#
# MINBAS for
# HGH Pseudopotentials optimized for PBE
#
#  &METHOD
#     METHOD_TYPE  KOHN-SHAM
#     RELATIVISTIC DKH(3)
#     &XC
#       &XC_FUNCTIONAL PBE
#       &END XC_FUNCTIONAL
#     &END XC
#  &END METHOD
#
#  &POTENTIAL
#    CONFINEMENT_TYPE  BARRIER
#    CONFINEMENT 200. 4.0 12.0 
#  &END POTENTIAL
#
#  &POWELL
#      WEIGHT_PSIR0 0.0
#      TARGET_POT_SEMICORE      [eV]      0.003000
#      TARGET_POT_VALENCE       [eV]      0.000300
#      TARGET_POT_VIRTUAL       [eV]      0.003000
#  &END
#
#   Pseudopotential form
#
#     Atom    Zcore   Zval    NC    NPS  NPP  NPD  NPF
#   1  H          0      1     2      0    0    0    0
#   2  He         0      2     2      0    0    0    0
#   3  Li         2      1     2      1    1    0    0
#   4  Be         2      2     2      1    1    0    0
#   5  B          2      3     2      1    0    0    0
#   6  C          2      4     2      1    0    0    0
#   7  N          2      5     2      1    0    0    0
#   8  O          2      6     2      1    0    0    0
#   9  F          2      7     2      1    0    0    0
#  10  Ne         2      8     3      2    1    0    0
#  11  Na         2      9     2      1    1    0    0
#  12  Mg         2     10     2      1    1    0    0
#  13  Al        10      3     1      2    1    0    0
#  14  Si        10      4     1      2    1    0    0
#  15  P         10      5     1      2    1    0    0
#  16  S         10      6     1      2    1    0    0
#  17  Cl        10      7     1      2    1    0    0
#  18  Ar        10      8     1      2    1    0    0
#  19  K         10      9     2      2    2    0    0
#  20  Ca        10     10     2      2    2    1    0
#  21  Sc        10     11     2      2    2    1    0
#  22  Ti        10     12     2      2    2    1    0
#  23  V         10     13     2      2    2    1    0
#  24  Cr        10     14     2      2    2    1    0
#  25  Mn        10     15     2      2    2    1    0
#  26  Fe        10     16     2      2    2    1    0
#  27  Co        10     17     2      2    2    1    0
#  28  Ni        10     18     2      2    2    1    0
#  29  Cu        10     19     2      2    2    1    0
#  30  Zn        10     20     2      2    2    1    0
#  31  Ga        18     13     0      3    2    1    0
#  32  Ge        28      4     0      3    2    1    0
#  33  As        28      5     0      3    2    1    0
#  34  Se        28      6     2      3    2    1    0
#  35  Br        28      7     1      3    2    1    0
#  36  Kr        28      8     0      3    2    1    0
#  37  Rb        28      9     2      2    2    1    0
#  38  Sr        28     10     2      2    2    1    0
#  39  Y         28     11     3      2    2    2    0
#  40  Zr        28     12     2      2    2    2    0
#  41  Nb        28     13     2      2    2    2    0
#  42  Mo        28     14     2      2    2    2    0
#  43  Tc        28     15     2      2    2    2    0
#  44  Ru        28     16     2      2    2    2    0
#  45  Rh        28     17     2      2    2    2    0
#  46  Pd        28     18     2      2    2    2    0
#  47  Ag        28     19     3      2    2    2    0
#  48  Cd        28     20     3      2    2    2    0
#  49  In        36     13     1      3    2    2    0
#  50  Sn        46      4     1      3    2    1    0
#  51  Sb        46      5     1      3    2    1    0
#  52  Te        46      6     1      3    2    1    0
#  53  I         46      7     1      3    2    1    0
#  54  Xe        46      8     1      3    2    1    0
#  55  Cs        46      9     2      2    2    1    1
#  56  Ba        46     10     2      2    2    1    1
#  57  La        46     11     3      2    2    1    1
#  58  Ce        46     12     2      2    2    1    1
#  59  Pr        46     13     2      2    2    1    1
#  60  Nd        46     14     2      2    2    1    1
#  61  Pm        46     15     2      2    2    1    1
#  62  Sm        46     16     2      2    2    1    1
#  63  Eu        46     17     2      2    2    1    1
#  64  Gd        46     18     2      2    2    1    1
#  65  Tb        46     19     2      2    2    1    1
#  66  Dy        46     20     2      2    2    1    1
#  67  Ho        46     21     2      2    2    1    1
#  68  Er        46     22     2      2    2    1    1
#  69  Tm        46     23     2      2    2    1    1
#  70  Yb        46     24     2      2    2    1    1
#  71  Lu        46     25     2      2    2    1    1
#  72  Hf        60     12     2      3    2    2    0
#  73  Ta        60     13     2      3    2    2    0
#  74  W         60     14     2      3    2    2    0
#  75  Re        60     15     2      3    2    2    0
#  76  Os        60     16     2      3    2    2    0
#  77  Ir        60     17     2      3    2    2    0
#  78  Pt        60     18     2      3    2    2    0
#  79  Au        60     19     2      3    3    2    0
#  80  Hg        68     12     1      2    2    2    0
#  81  Tl        68     13     1      2    2    2    0
#  82  Pb        68     14     1      2    2    2    0
#  83  Bi        68     15     1      2    2    2    0
#  84  Po        78      6     1      3    2    1    0
#  85  At        78      7     1      3    2    1    0
#  86  Rn        78      8     1      3    2    1    0
#
######################################################
#
#   BASIS SET Structure
#
#     Atom    Primitives   min-bas   sv-bas   pol-bas     
#   1  H      3s           1s        2s         
#   2  He     3s           1s        2s+      1p
#   3  Li     3s           1s+       2s+      1p     
#   4  Be     3s           1s+       2s+      1p
#   5  B      3s3p         1s1p      2s2p+    1d
#   6  C      3s3p         1s1p      2s2p+    1d
#   7  N      3s3p         1s1p      2s2p+    1d
#   8  O      3s3p         1s1p      2s2p+    1d
#   9  F      3s3p         1s1p      2s2p+    1d
#  10  Ne     3s3p         1s1p      2s2p+    1d
#  11  Na     6s3p         2s1p+     3s1p+    1p
#  12  Mg     6s3p         2s1p+     3s1p+    1p
#  13  Al     3s3p         1s1p+     2s2p+    1d
#  14  Si     3s3p         1s1p+     2s2p+    1d
#  15  P      3s3p         1s1p+     2s2p+    1d
#  16  S      3s3p         1s1p+     2s2p+    1d
#  17  Cl     3s3p         1s1p+     2s2p+    1d
#  18  Ar     3s3p         1s1p+     2s2p+    1d
#  19  K      5s3p         3s1p      3s2p
#  20  Ca     6s3p         3s1p      3s2p
#  21  Sc     5spd         3s1p2d    3s2p2d+  1p
#  22  Ti     5spd         3s1p2d    3s2p2d+  1p
#  23  V      5spd         3s1p2d    3s2p2d+  1p
#  24  Cr     5spd         3s1p2d    3s2p2d+  1p
#  25  Mn     5spd         3s1p2d    3s2p2d+  1p
#  26  Fe     5spd         3s1p2d    3s2p2d+  1p
#  27  Co     5spd         3s1p2d    3s2p2d+  1p
#  28  Ni     5spd         3s1p2d    3s2p2d+  1p
#  29  Cu     5spd         3s1p2d    3s2p2d+  1p
#  30  Zn     5spd         3s1p2d    3s2p2d+  1p
#  31  Ga     5spd         2s2p1d    2s2p2d
#  32  Ge     3s3p         1s1p+     2s2p+    1d
#  33  As     3s3p         1s1p+     2s2p+    1d
#  34  Se     3s3p         1s1p+     2s2p+    1d
#  35  Br     3s3p         1s1p+     2s2p+    1d
#  36  Kr     3s3p         1s1p+     2s2p+    1d
#  37  Rb     5s3p         3s1p      3s2p
#  38  Sr     6s3p         3s1p      3s2p
#  39  Y      4sp3d        3s2p2d    ----
#  40  Zr     4sp3d        3s2p2d    ----
#  41  Nb     4sp3d        3s2p2d    ----
#  42  Mo     4sp3d        3s2p2d    ----
#  43  Tc     4sp3d        3s2p2d    ----
#  44  Ru     4sp3d        3s2p2d    ----
#  45  Rh     4sp3d        3s2p2d    ----
#  46  Pd     4sp3d        3s2p2d    ----
#  47  Ag     4sp3d        3s2p2d    ----
#  48  Cd     4sp3d        3s2p2d    ----
#  49  In     4sp3d        2s2p2d    ----
#  50  Sn     3s3p         1s1p+     2s2p+    1d
#  51  Sb     3s3p         1s1p+     2s2p+    1d
#  52  Te     3s3p         1s1p+     2s2p+    1d
#  53  I      3s3p         1s1p+     2s2p+    1d
#  54  Xe     3s3p         1s1p+     2s2p+    1d
#  55  Cs     5s3p         3s1p      3s2p
#  56  Ba     6s3p         3s1p      3s2p
#  57  La     4sp4df       3s2p1d1f  3s2p2d2f
#  58  Ce     4sp4df       3s2p1d1f  3s2p2d2f
#  59  Pr     4sp4df       3s2p1d1f  3s2p2d2f
#  60  Nd     4sp4df       3s2p1d1f  3s2p2d2f
#  61  Pm     4sp4df       3s2p1d1f  3s2p2d2f
#  62  Sm     4sp4df       3s2p1d1f  3s2p2d2f
#  63  Eu     4sp4df       3s2p1d1f  3s2p2d2f
#  64  Gd     4sp4df       3s2p1d1f  3s2p2d2f
#  65  Tb     4sp4df       3s2p1d1f  3s2p2d2f
#  66  Dy     4sp4df       3s2p1d1f  3s2p2d2f
#  67  Ho     4sp4df       3s2p1d1f  3s2p2d2f
#  68  Er     4sp4df       3s2p1d1f  3s2p2d2f
#  69  Tm     4sp4df       3s2p1d1f  3s2p2d2f
#  70  Yb     4sp4df       3s2p1d1f  3s2p2d2f
#  71  Lu     4sp4df       3s2p1d1f  3s2p2d2f
#  72  Hf     4sp3d        3s2p2d    ---
#  73  Ta     4sp3d        3s2p2d    ---
#  74  W      4sp3d        3s2p2d    ---
#  75  Re     4sp3d        3s2p2d    ---
#  76  Os     4sp3d        3s2p2d    ---
#  77  Ir     4sp3d        3s2p2d    ---
#  78  Pt     4sp3d        3s2p2d    ---
#  79  Au     4sp3d        3s2p2d    ---
#  80  Hg     4sp3d        2s2p2d    ---
#  81  Tl     4sp3d        2s2p2d    ---
#  82  Pb     4sp3d        2s2p2d    ---
#  83  Bi     4sp3d        2s2p2d    ---
#  84  Po     3s3p         1s1p+     2s2p+    1d
#  85  At     3s3p         1s1p+     2s2p+    1d
#  86  Rn     3s3p         1s1p+     2s2p+    1d
#
######################################################
H (3s) min-pbe min-pbe-q1
  1
  1  0  0  3  1
  7.1035493200  3.776585E-02
  1.2936087800  2.171247E-01
  0.2361727400  8.391798E-01

H (3s) sv-pbe sv-pbe-q1
  1
  1  0  0  3  2
  7.1035493200  3.776585E-02  -1.012837E-02
  1.2936087800  2.171247E-01  -1.235097E+00
  0.2361727400  8.391798E-01   9.556522E-01

He (3s) min-pbe min-pbe-q2
  1
  1  0  0  3  1
  7.9191071600  1.339677E-01
  1.4657590600  4.595305E-01
  0.3049877100  5.647454E-01

He (3s) sv-pbe sv-pbe-q2
  2
  1  0  0  3  2
  7.9191071600  1.339677E-01  -1.458380E-01
  1.4657590600  4.595305E-01  -1.062422E+00
  0.3049877100  5.647454E-01   1.170167E+00
  2  1  1  1  1
   1.00000000      1.0000000

Li (3s) min-pbe min-pbe-q1
  2
  1  0  0  3  1
  0.7214517900 -1.248391E-01
  0.0640852200  6.833448E-01
  0.0227519700  3.977994E-01
  2  1  1  2  1
  0.4500000000   0.3710000000
  0.1000000000   1.0000000000

Li (3s) sv-pbe sv-pbe-q1
  2
  1  0  0  3  2
  0.7214517900 -1.248391E-01   1.207600E-01
  0.0640852200  6.833448E-01  -1.738973E+00
  0.0227519700  3.977994E-01   1.754883E+00
  2  1  1  2  1
  0.4500000000   0.3710000000
  0.1000000000   1.0000000000

Be (3s) min-pbe min-pbe-q2
  1
  1  0  0  3  1
  1.5306669300 -1.557610E-01
  0.1661658400  6.182376E-01
  0.0545644100  4.846008E-01

Be (3s) sv-pbe sv-pbe-q2
  1
  1  0  0  3  2
  1.5306669300 -1.557610E-01   1.763995E-01
  0.1661658400  6.182376E-01  -1.705629E+00
  0.0545644100  4.846008E-01   1.642906E+00

B (3s3p) min-pbe min-pbe-q3
  2
  1  0  0  3  1
  2.8617526700 -1.432869E-01
  0.2851097200  6.425180E-01
  0.0912439000  4.562194E-01
  1  1  1  3  1
  1.9443842800  1.490566E-01
  0.4249043600  4.972145E-01
  0.0996633600  5.696899E-01

B (3s3p) sv-pbe sv-pbe-q3
  3
  1  0  0  3  2
  2.8617526700 -1.432869E-01   1.660174E-01
  0.2851097200  6.425180E-01  -1.647947E+00
  0.0912439000  4.562194E-01   1.616700E+00
  1  1  1  3  2
  1.9443842800  1.490566E-01  -1.629913E-01
  0.4249043600  4.972145E-01  -9.085251E-01
  0.0996633600  5.696899E-01   1.025870E+00
  3  2  2  1  1
  0.500000000  1.000000000

C (3s3p) min-pbe min-pbe-q4
  2
  1  0  0  3  1
  4.4221572600 -1.443938E-01
  0.4497194700  6.335525E-01
  0.1403120600  4.684408E-01
  1  1  1  3  1
  3.0724064800  1.599813E-01
  0.6878889700  5.001740E-01
  0.1583619500  5.620596E-01

C (3s3p) sv-pbe sv-pbe-q4
  3
  1  0  0  3  2
  4.4221572600 -1.443938E-01   1.668909E-01
  0.4497194700  6.335525E-01  -1.623137E+00
  0.1403120600  4.684408E-01   1.584083E+00
  1  1  1  3  2
  3.0724064800  1.599813E-01  -1.700507E-01
  0.6878889700  5.001740E-01  -8.856260E-01
  0.1583619500  5.620596E-01   1.021326E+00
  3  2  2  1  1
  0.800000000  1.000000000

N (3s3p) min-pbe min-pbe-q5
  2
  1  0  0  3  1
  6.3077665100 -1.444788E-01
  0.6486315900  6.270734E-01
  0.1982020200  4.771811E-01
  1  1  1  3  1
  4.4476663300  1.670078E-01
  1.0091567200  5.019165E-01
  0.2286906100  5.578035E-01

N (3s3p) sv-pbe sv-pbe-q5
  3
  1  0  0  3  2
  6.3077665100 -1.444788E-01   1.672767E-01
  0.6486315900  6.270734E-01  -1.602721E+00
  0.1982020200  4.771811E-01   1.558489E+00
  1  1  1  3  2
  4.4476663300  1.670078E-01  -1.741010E-01
  1.0091567200  5.019165E-01  -8.701447E-01
  0.2286906100  5.578035E-01   1.016961E+00
  3  2  2  1  1
  1.000000000  1.000000000

O (3s3p) min-pbe min-pbe-q6
  2
  1  0  0  3  1
  8.5249436500 -1.442403E-01
  0.8811997600  6.224533E-01
  0.2647797400  4.834207E-01
  1  1  1  3  1
  6.0633977300  1.720330E-01
  1.3868359000  5.031532E-01
  0.3102881200  5.549926E-01

O (3s3p) sv-pbe sv-pbe-q6
  3
  1  0  0  3  2
  8.5249436500 -1.442403E-01   1.675925E-01
  0.8811997600  6.224533E-01  -1.586284E+00
  0.2647797400  4.834207E-01   1.538600E+00
  1  1  1  3  2
  6.0633977300  1.720330E-01  -1.765924E-01
  1.3868359000  5.031532E-01  -8.590461E-01
  0.3102881200  5.549926E-01   1.013420E+00
  3  2  2  1  1
  1.200000000  1.000000000

F (3s3p) min-pbe min-pbe-q7
  2
  1  0  0  3  1
 11.0763505100 -1.439302E-01
  1.1472294300  6.190560E-01
  0.3400229000  4.880352E-01
  1  1  1  3  1
  7.9192517900  1.758085E-01
  1.8204690100  5.040684E-01
  0.4030493200  5.530445E-01

F (3s3p) sv-pbe sv-pbe-q7
  3
  1  0  0  3  2
 11.0763505100 -1.439302E-01   1.678460E-01
  1.1472294300  6.190560E-01  -1.572940E+00
  0.3400229000  4.880352E-01   1.522864E+00
  1  1  1  3  2
  7.9192517900  1.758085E-01  -1.782618E-01
  1.8204690100  5.040684E-01  -8.507012E-01
  0.4030493200  5.530445E-01   1.010501E+00
  3  2  2  1  1
  1.400000000  1.000000000

Ne (3s3p) min-pbe min-pbe-q8
  2
  1  0  0  3  1
 13.9784622600 -1.431658E-01
  1.4456192300  6.167669E-01
  0.4236136400  4.911040E-01
  1  1  1  3  1
 10.1228949400  1.771926E-01
  2.3255888900  5.043156E-01
  0.5093469200  5.536362E-01

Ne (3s3p) sv-pbe sv-pbe-q8
  3
  1  0  0  3  2
 13.9784622600 -1.431658E-01   1.667184E-01
  1.4456192300  6.167669E-01  -1.560928E+00
  0.4236136400  4.911040E-01   1.509986E+00
  1  1  1  3  2
 10.1228949400  1.771926E-01  -1.782827E-01
  2.3255888900  5.043156E-01  -8.461390E-01
  0.5093469200  5.536362E-01   1.006546E+00
  3  2  2  1  1
  1.880000000  1.000000000

Na (5s3p) min-pbe min-pbe-q9
  3
  1  0  0  5  2
 15.9875343200  1.546976E-01   2.904194E-02
  2.0414642300 -5.095152E-01  -1.104098E-01
  0.3077900700 -1.100843E-01  -2.063906E-02
  0.7717020900 -4.971266E-01  -1.860995E-01
  0.0431239700 -3.613965E-04   1.042387E+00
  1  1  1  3  1
 12.8642805700  1.830474E-01
  3.1007531800  5.056588E-01
  0.7443983700  5.313265E-01
  3  1  1  1  1
  0.0520000000  1.0000000

Na (5s3p) sv-pbe sv-pbe-q9
  3
  1  0  0  5  3
 15.9875343200  1.546976E-01   2.904194E-02  -5.528214E-02
  2.0414642300 -5.095152E-01  -1.104098E-01  -5.757441E-03
  0.3077900700 -1.100843E-01  -2.063906E-02  -2.365552E+00
  0.7717020900 -4.971266E-01  -1.860995E-01   1.735103E+00
  0.0431239700 -3.613965E-04   1.042387E+00   7.364106E-01
  1  1  1  3  1
 12.8642805700  1.830474E-01
  3.1007531800  5.056588E-01
  0.7443983700  5.313265E-01
  3  1  1  1  1
  0.0520000000  1.0000000

Mg (6s3p) min-pbe min-pbe-q10
  3
  1  0  0  6  2
 19.5800155000 -1.678106E-01   3.902859E-02
  1.0028189500  5.048398E-01  -2.070273E-01
  0.3932219400  1.057481E-01  -1.023914E-01
  2.5485180600  5.083415E-01  -1.488351E-01
  0.1255228100 -3.206381E-03   5.843988E-01
  0.0457604400  1.077764E-03   5.738303E-01
  1  1  1  3  1
 16.6121792700  1.733911E-01
  4.1363708000  5.044653E-01
  1.0408162000  5.294836E-01
  3  1  1  1  1
  0.18914796195      1.0000000000

Mg (6s3p) sv-pbe sv-pbe-q10
  3
  1  0  0  6  3
 19.5800155000 -1.678106E-01   3.902859E-02  -4.205142E-02
  1.0028189500  5.048398E-01  -2.070273E-01   2.156503E-01
  0.3932219400  1.057481E-01  -1.023914E-01   2.450438E-01
  2.5485180600  5.083415E-01  -1.488351E-01   1.714539E-01
  0.1255228100 -3.206381E-03   5.843988E-01  -2.178193E+00
  0.0457604400  1.077764E-03   5.738303E-01   1.861822E+00
  1  1  1  3  2
 16.6121792700  1.733911E-01  -1.680134E-01
  4.1363708000  5.044653E-01  -9.017054E-01
  1.0408162000  5.294836E-01   1.075313E+00
  3  1  1  1  1
  0.18914796195      1.0000000000

Al (3s3p) min-pbe min-pbe-q3
  3
  1  0  0  3  1
  0.9924423700 -2.354113E-01
  0.1664058000  7.278828E-01
  0.0601446900  4.172232E-01
  1  1  1  3  1
  0.2733045900  1.122469E-01
  0.1664058000  4.487277E-01
  0.0515022100  5.529911E-01
  3  2  2  1  1
  0.30000000000      1.0000000000

Al (3s3p) sv-pbe sv-pbe-q3
  3
  1  0  0  3  2
  0.9924423700 -2.354113E-01   2.849112E-01
  0.1664058000  7.278828E-01  -1.962401E+00
  0.0601446900  4.172232E-01   1.842091E+00
  1  1  1  3  2
  0.2733045900  1.122469E-01   2.667684E-02
  0.1664058000  4.487277E-01  -1.240212E+00
  0.0515022100  5.529911E-01   1.241796E+00
  3  2  2  1  1
  0.30000000000      1.0000000000

Si (3s3p) min-pbe min-pbe-q4
  3
  1  0  0  3  1
  1.2743762900  2.689283E-01
  0.2422487300 -7.124573E-01
  0.0884140400 -4.539834E-01
  1  1  1  3  1
  0.3118834900  4.143300E-01
  0.1243208900  4.439949E-01
  0.0501261300  2.685770E-01
  3  2  2  1  1
  0.35000000000      1.0000000000

Si (3s3p) sv-pbe sv-pbe-q4
  3
  1  0  0  3  2
  1.2743762900  2.689283E-01  -2.705465E-01
  0.2422487300 -7.124573E-01   2.006185E+00
  0.0884140400 -4.539834E-01  -1.842982E+00
  1  1  1  3  2
  0.3118834900  4.143300E-01  -4.933832E-01
  0.1243208900  4.439949E-01  -5.833349E-01
  0.0501261300  2.685770E-01   1.277362E+00
  3  2  2  1  1
  0.35000000000      1.0000000000

P (3s3p) min-pbe min-pbe-q5
  3
  1  0  0  3  1
  1.5787010800  2.928181E-01
  0.3252280900 -7.124761E-01
  0.1180666100 -4.707375E-01
  1  1  1  3  1
  0.4040874100 -4.673743E-01
  0.1467637100 -4.797883E-01
  0.0546751900 -1.825505E-01
  3  2  2  1  1
  0.45000000000      1.0000000000

P (3s3p) sv-pbe sv-pbe-q5
  3
  1  0  0  3  2
  1.5787010800  2.928181E-01  -3.319697E-01
  0.3252280900 -7.124761E-01   2.068186E+00
  0.1180666100 -4.707375E-01  -1.853644E+00
  1  1  1  3  2
  0.4040874100 -4.673743E-01   5.365209E-01
  0.1467637100 -4.797883E-01   3.482754E-01
  0.0546751900 -1.825505E-01  -1.155825E+00
  3  2  2  1  1
  0.45000000000      1.0000000000

S (3s3p) min-pbe min-pbe-q6
  3
  1  0  0  3  1
  1.8974362500 -3.119003E-01
  0.4192103500  7.112744E-01
  0.1507622400  4.870402E-01
  1  1  1  3  1
  0.5115214300 -4.923967E-01
  0.1815436200 -4.782051E-01
  0.0658446400 -1.589387E-01
  3  2  2  1  1
  0.55000000000      1.0000000000

S (3s3p) sv-pbe sv-pbe-q6
  3
  1  0  0  3  2
  1.8974362500 -3.119003E-01  -3.749012E-01
  0.4192103500  7.112744E-01   2.107752E+00
  0.1507622400  4.870402E-01  -1.849949E+00
  1  1  1  3  2
  0.5115214300 -4.923967E-01   5.424321E-01
  0.1815436200 -4.782051E-01   2.821947E-01
  0.0658446400 -1.589387E-01  -1.123759E+00
  3  2  2  1  1
  0.55000000000      1.0000000000

Cl (3s3p) min-pbe min-pbe-q7
  3
  1  0  0  3  1
  2.2455351600 -3.255280E-01
  0.5209349600  7.124466E-01
  0.1855670400  4.973175E-01
  1  1  1  3  1
  0.6320738500 -5.075190E-01
  0.2222365700 -4.725104E-01
  0.0799084300 -1.492258E-01
  3  2  2  1  1
  0.65000000000      1.0000000000

Cl (3s3p) sv-pbe sv-pbe-q7
  3
  1  0  0  3  2
  2.2455351600 -3.255280E-01   4.648467E-01
  0.5209349600  7.124466E-01  -2.177704E+00
  0.1855670400  4.973175E-01   1.863752E+00
  1  1  1  3  2
  0.6320738500 -5.075190E-01   5.394604E-01
  0.2222365700 -4.725104E-01   2.617096E-01
  0.0799084300 -1.492258E-01  -1.115727E+00
  3  2  2  1  1
  0.65000000000      1.0000000000

Ar (3s3p) min-pbe min-pbe-q8
  3
  1  0  0  3  1
  2.6206769400 -3.343606E-01
  0.6295644700  7.150174E-01
  0.2222972900  5.030984E-01
  1  1  1  3  1
  0.7667173400 -5.166648E-01
  0.2680982100 -4.683736E-01
  0.0956916200 -1.443073E-01
  3  2  2  1  1
  0.69600000000      1.0000000000

Ar (3s3p) sv-pbe sv-pbe-q8
  3
  1  0  0  3  2
  2.6206769400 -3.343606E-01   4.827389E-01
  0.6295644700  7.150174E-01  -2.188670E+00
  0.2222972900  5.030984E-01   1.854376E+00
  1  1  1  3  2
  0.7667173400 -5.166648E-01   5.328879E-01
  0.2680982100 -4.683736E-01   2.555877E-01
  0.0956916200 -1.443073E-01  -1.113719E+00
  3  2  2  1  1
  0.69600000000      1.0000000000

K (5s3p) min-pbe min-pbe-q9
  2
  1  0  0  5  3
  6.1940994800 -7.216676E-02  -1.258508E-02   1.837367E-01
  3.5769689800  3.974521E-01   9.963741E-02  -6.281114E-01
  0.6904772600 -7.803866E-01  -2.789114E-01   2.424666E+00
  0.2614093600 -4.163860E-01  -2.729279E-01  -2.445301E+00
  0.0383598100 -4.376404E-03   1.124549E+00   6.414604E-01
  1  1  1  3  1
  0.9364653700 -5.479934E-01
  0.3401496700 -4.605785E-01
  0.1249203900 -1.014206E-01

K (5s3p) sv-pbe sv-pbe-q9
  2
  1  0  0  5  3
  6.1940994800 -7.216676E-02  -1.258508E-02   1.837367E-01
  3.5769689800  3.974521E-01   9.963741E-02  -6.281114E-01
  0.6904772600 -7.803866E-01  -2.789114E-01   2.424666E+00
  0.2614093600 -4.163860E-01  -2.729279E-01  -2.445301E+00
  0.0383598100 -4.376404E-03   1.124549E+00   6.414604E-01
  1  1  1  3  2
  0.9364653700 -5.479934E-01   1.334333E-01
  0.3401496700 -4.605785E-01   8.051153E-01
  0.1249203900 -1.014206E-01  -1.405595E+00

Ca (6s3p) min-pbe min-pbe-q10
  2
  1  0  0  6  3
  7.7140070000 -6.318037E-02  -1.131301E-02   2.146408E-03
  3.8659711700  4.142430E-01   1.161447E-01  -1.158843E-01
  0.8783593600 -7.296994E-01  -3.026044E-01   2.537587E-01
  0.3652502900 -4.778910E-01  -3.106827E-01   9.801318E-01
  0.1051361000 -2.130333E-02   2.150677E-01  -3.066232E+00
  0.0438121400  2.448763E-03   9.441172E-01   2.197462E+00
  1  1  1  3  1
  6.7503014600 -3.254079E-02
  1.1595166000  5.953360E-01
  0.3754127500  5.039882E-01

Ca (6s3p) sv-pbe sv-pbe-q10
  2
  1  0  0  6  3
  7.7140070000 -6.318037E-02  -1.131301E-02   2.146408E-03
  3.8659711700  4.142430E-01   1.161447E-01  -1.158843E-01
  0.8783593600 -7.296994E-01  -3.026044E-01   2.537587E-01
  0.3652502900 -4.778910E-01  -3.106827E-01   9.801318E-01
  0.1051361000 -2.130333E-02   2.150677E-01  -3.066232E+00
  0.0438121400  2.448763E-03   9.441172E-01   2.197462E+00
  1  1  1  3  2
  6.7503014600 -3.254079E-02   3.079934E-02
  1.1595166000  5.953360E-01  -1.264860E+00
  0.3754127500  5.039882E-01   1.282216E+00

Sc (5spd) min-pbe min-pbe-q11
  1
  1  0  2  5  3 1 2
  7.0518339500  4.423570E-02   1.125652E-02   8.632866E-02   1.171316E-01  -5.259184E-02   3.509974E-02
  3.1251365000  4.107487E-01   1.284050E-01  -7.963366E-01  -1.516513E-01  -2.133879E-01   1.415135E-01
  1.0824078200 -8.819800E-01  -3.801403E-01   2.634161E+00  -6.454386E-01  -3.705124E-01   2.697162E-01
  0.3652477900 -4.519282E-01  -2.806379E-01  -2.430189E+00  -3.665070E-01  -4.734433E-01   1.714859E-01
  0.0628759500  5.548731E-03   1.144986E+00   7.494131E-01  -8.396164E-03  -3.216305E-01  -9.393400E-01

Sc (5spd) sv-pbe sv-pbe-q11
  2
  1  0  2  5  3 2 2
  7.0518339500  4.423570E-02   1.125652E-02   8.632866E-02   1.171316E-01  -8.273127E-02  -5.259184E-02   3.509974E-02
  3.1251365000  4.107487E-01   1.284050E-01  -7.963366E-01  -1.516513E-01   8.141790E-02  -2.133879E-01   1.415135E-01
  1.0824078200 -8.819800E-01  -3.801403E-01   2.634161E+00  -6.454386E-01   9.899755E-01  -3.705124E-01   2.697162E-01
  0.3652477900 -4.519282E-01  -2.806379E-01  -2.430189E+00  -3.665070E-01  -1.041129E+00  -4.734433E-01   1.714859E-01
  0.0628759500  5.548731E-03   1.144986E+00   7.494131E-01  -8.396164E-03  -3.709320E-01  -3.216305E-01  -9.393400E-01
  3  1  1  1  1
  0.089748    1.000000

Ti (5spd) min-pbe min-pbe-q12
  1
  1  0  2  5  3 1 2
  7.0022621400  9.350603E-02   2.461237E-02   5.545436E-02   1.351230E-01  -7.937374E-02   4.797857E-02
  3.2155893300  3.535759E-01   1.151570E-01  -7.183740E-01  -2.066383E-01  -2.327966E-01   1.409416E-01
  1.1389191700 -9.585821E-01  -4.238248E-01   2.508075E+00  -6.664489E-01  -4.056347E-01   2.700002E-01
  0.3725702600 -3.692809E-01  -2.358028E-01  -2.463822E+00  -3.138993E-01  -4.501215E-01   7.527896E-02
  0.0711101600  8.552561E-03   1.146508E+00   8.474037E-01   7.444919E-05  -2.414248E-01  -9.451285E-01

Ti (5spd) sv-pbe sv-pbe-q12
  2
  1  0  2  5  3 2 2
  7.0022621400  9.350603E-02   2.461237E-02   5.545436E-02   1.351230E-01  -9.969315E-02  -7.937374E-02   4.797857E-02
  3.2155893300  3.535759E-01   1.151570E-01  -7.183740E-01  -2.066383E-01   1.539070E-01  -2.327966E-01   1.409416E-01
  1.1389191700 -9.585821E-01  -4.238248E-01   2.508075E+00  -6.664489E-01   9.120701E-01  -4.056347E-01   2.700002E-01
  0.3725702600 -3.692809E-01  -2.358028E-01  -2.463822E+00  -3.138993E-01  -1.089305E+00  -4.501215E-01   7.527896E-02
  0.0711101600  8.552561E-03   1.146508E+00   8.474037E-01   7.444919E-05  -2.832762E-01  -2.414248E-01  -9.451285E-01
  3  1  1  1  1
  0.101561    1.000000

V (5spd) min-pbe min-pbe-q13
  1
  1  0  2  5  3 1 2
  6.9671755200  1.543984E-01   3.850531E-02   6.973907E-02   1.463693E-01  -1.010015E-01   3.643441E-02
  3.2626547800  2.601878E-01   8.594315E-02  -7.257105E-01  -2.730868E-01  -2.572392E-01   7.910386E-02
  1.1816353600 -9.983353E-01  -4.490046E-01   2.458445E+00  -6.650499E-01  -4.215600E-01   1.575507E-01
  0.3805122700 -2.982045E-01  -1.798508E-01  -2.515348E+00  -2.665594E-01  -4.234879E-01   2.220972E-01
  0.0769996200  8.614716E-03   1.135026E+00   9.284021E-01   4.831386E-03  -1.884608E-01  -1.018365E+00

V (5spd) sv-pbe sv-pbe-q13
  2
  1  0  2  5  3 2 2
  6.9671755200  1.543984E-01   3.850531E-02   6.973907E-02   1.463693E-01   3.259709E-01  -1.010015E-01   3.643441E-02
  3.2626547800  2.601878E-01   8.594315E-02  -7.257105E-01  -2.730868E-01  -9.052558E-01  -2.572392E-01   7.910386E-02
  1.1816353600 -9.983353E-01  -4.490046E-01   2.458445E+00  -6.650499E-01  -1.923335E-01  -4.215600E-01   1.575507E-01
  0.3805122700 -2.982045E-01  -1.798508E-01  -2.515348E+00  -2.665594E-01   1.140650E+00  -4.234879E-01   2.220972E-01
  0.0769996200  8.614716E-03   1.135026E+00   9.284021E-01   4.831386E-03  -7.451976E-01  -1.884608E-01  -1.018365E+00
  3  1  1  1  1
  0.111248    1.000000

Cr (5spd) min-pbe min-pbe-q14
  1
  1  0  2  5  3 1 2
  6.8501148200 -2.446630E-01   6.274347E-02  -5.803559E-04  -1.195042E-01  -1.730894E-01   5.333751E-02
  2.7799173300 -1.284790E-01   4.419179E-02  -6.611233E-01   3.201015E-01  -2.658666E-01   6.023105E-02
  1.1579750700  1.036234E+00  -4.849917E-01   2.477690E+00   6.350765E-01  -3.962106E-01   1.522194E-01
  0.3814876500  2.068418E-01  -9.208320E-02  -2.621195E+00   2.202060E-01  -4.002165E-01   1.826056E-01
  0.0802242400 -2.452053E-03   1.108414E+00   1.014231E+00  -6.599860E-03  -1.491933E-01  -1.022609E+00

Cr (5spd) sv-pbe sv-pbe-q14
  2
  1  0  2  5  3 2 2
  6.8501148200 -2.446630E-01   6.274347E-02  -5.803559E-04  -1.195042E-01  -3.066275E-01  -1.730894E-01   5.333751E-02
  2.7799173300 -1.284790E-01   4.419179E-02  -6.611233E-01   3.201015E-01   1.330686E+00  -2.658666E-01   6.023105E-02
  1.1579750700  1.036234E+00  -4.849917E-01   2.477690E+00   6.350765E-01  -4.585685E-01  -3.962106E-01   1.522194E-01
  0.3814876500  2.068418E-01  -9.208320E-02  -2.621195E+00   2.202060E-01  -8.429540E-01  -4.002165E-01   1.826056E-01
  0.0802242400 -2.452053E-03   1.108414E+00   1.014231E+00  -6.599860E-03   6.357457E-01  -1.491933E-01  -1.022609E+00
  3  1  1  1  1
  0.120675    1.000000

Mn (5spd) min-pbe min-pbe-q15
  1
  1  0  2  5  3 1 2
  7.2317954100 -2.899542E-01   7.081417E-02  -1.873871E-02  -1.030403E-01  -1.820056E-01   4.996542E-02
  3.0675884500  1.007579E-02   7.496423E-03  -4.975174E-01   3.846099E-01  -2.965216E-01   5.281439E-02
  1.2066458800  9.878558E-01  -4.743109E-01   2.230825E+00   6.105645E-01  -4.089020E-01   1.554243E-01
  0.3914736200  1.679357E-01  -4.317889E-02  -2.562745E+00   1.821515E-01  -3.666522E-01   1.432102E-01
  0.0842448500 -2.746225E-03   1.088621E+00   1.049437E+00  -7.390352E-03  -1.210293E-01  -1.021467E+00

Mn (5spd) sv-pbe sv-pbe-q15
  2
  1  0  2  5  3 2 2
  7.2317954100 -2.899542E-01   7.081417E-02  -1.873871E-02  -1.030403E-01  -2.999877E-01  -1.820056E-01   4.996542E-02
  3.0675884500  1.007579E-02   7.496423E-03  -4.975174E-01   3.846099E-01   1.423684E+00  -2.965216E-01   5.281439E-02
  1.2066458800  9.878558E-01  -4.743109E-01   2.230825E+00   6.105645E-01  -6.604869E-01  -4.089020E-01   1.554243E-01
  0.3914736200  1.679357E-01  -4.317889E-02  -2.562745E+00   1.821515E-01  -7.047300E-01  -3.666522E-01   1.432102E-01
  0.0842448500 -2.746225E-03   1.088621E+00   1.049437E+00  -7.390352E-03   5.375640E-01  -1.210293E-01  -1.021467E+00
  3  1  1  1  1
  0.127650    1.000000

Fe (5spd) min-pbe min-pbe-q16
  1
  1  0  2  5  3 1 2
  7.4436291700 -3.481879E-01   8.247328E-02  -4.327438E-02  -7.140316E-02  -1.979685E-01   4.976043E-02
  3.1975940500  1.660513E-01  -3.168744E-02  -3.716519E-01   4.376501E-01  -3.203022E-01   4.467945E-02
  1.2299648900  9.301337E-01  -4.650956E-01   2.050606E+00   5.762596E-01  -4.102696E-01   1.630302E-01
  0.3965612500  1.303017E-01   1.001194E-02  -2.533638E+00   1.470567E-01  -3.376990E-01   1.028948E-01
  0.0872802600 -2.287828E-03   1.065678E+00   1.090854E+00  -7.193657E-03  -9.938593E-02  -1.016304E+00

Fe (5spd) sv-pbe sv-pbe-q16
  1
  1  0  2  5  3 2 2
  7.4436291700 -3.481879E-01   8.247328E-02  -4.327438E-02  -7.140316E-02  -2.635401E-01  -1.979685E-01   4.976043E-02
  3.1975940500  1.660513E-01  -3.168744E-02  -3.716519E-01   4.376501E-01   1.503876E+00  -3.203022E-01   4.467945E-02
  1.2299648900  9.301337E-01  -4.650956E-01   2.050606E+00   5.762596E-01  -9.137759E-01  -4.102696E-01   1.630302E-01
  0.3965612500  1.303017E-01   1.001194E-02  -2.533638E+00   1.470567E-01  -5.258055E-01  -3.376990E-01   1.028948E-01
  0.0872802600 -2.287828E-03   1.065678E+00   1.090854E+00  -7.193657E-03   4.451457E-01  -9.938593E-02  -1.016304E+00
  3  1  1  1  1
  0.134915    1.000000

Co (5spd) min-pbe min-pbe-q17
  1
  1  0  2  5  3 1 2
  7.3651091100  4.083876E-01  -8.898649E-02   5.912877E-02  -1.648590E-02  -2.375887E-01   5.490345E-02
  3.0214744000 -3.912012E-01   9.652419E-02   2.086443E-01   4.936677E-01  -3.514752E-01   3.736947E-02
  1.1688006400 -8.189790E-01   4.462980E-01  -1.833052E+00   5.206863E-01  -3.895241E-01   1.836539E-01
  0.3834383000 -7.955817E-02  -9.835158E-02   2.532881E+00   1.012894E-01  -3.004549E-01   3.095264E-02
  0.0877285700  3.718593E-04  -1.024443E+00  -1.169408E+00  -4.983715E-03  -7.678393E-02  -9.991211E-01

Co (5spd) sv-pbe sv-pbe-q17
  2
  1  0  2  5  3 2 2
  7.3651091100  4.083876E-01  -8.898649E-02   5.912877E-02  -1.648590E-02  -1.618571E-01  -2.375887E-01   5.490345E-02
  3.0214744000 -3.912012E-01   9.652419E-02   2.086443E-01   4.936677E-01   1.573245E+00  -3.514752E-01   3.736947E-02
  1.1688006400 -8.189790E-01   4.462980E-01  -1.833052E+00   5.206863E-01  -1.340944E+00  -3.895241E-01   1.836539E-01
  0.3834383000 -7.955817E-02  -9.835158E-02   2.532881E+00   1.012894E-01  -1.829060E-01  -3.004549E-01   3.095264E-02
  0.0877285700  3.718593E-04  -1.024443E+00  -1.169408E+00  -4.983715E-03   3.589245E-01  -7.678393E-02  -9.991211E-01
  3  1  1  1  1
  0.141308    1.000000

Ni (5spd) min-pbe min-pbe-q18
  1
  1  0  2  5  3 1 2
  8.9665775500 -3.535499E-01   7.135425E-02  -3.175280E-03  -1.135366E-01  -1.651735E-01   3.809876E-02
  4.2513667500  1.317630E-01  -1.534046E-02  -4.137817E-01   4.505065E-01  -3.363956E-01   3.871927E-02
  1.5552119000  9.453411E-01  -4.383886E-01   2.024700E+00   5.929399E-01  -4.269626E-01   1.415947E-01
  0.4876164400  1.565036E-01  -2.814228E-02  -2.432755E+00   1.561792E-01  -3.330511E-01   1.250226E-01
  0.1020489500 -5.208302E-03   1.075133E+00   1.016894E+00  -7.769120E-03  -9.494162E-02  -1.022911E+00

Ni (5spd) sv-pbe sv-pbe-q18
  2
  1  0  2  5  3 2 2
  8.9665775500 -3.535499E-01   7.135425E-02  -3.175280E-03  -1.135366E-01  -3.168034E-01  -1.651735E-01   3.809876E-02
  4.2513667500  1.317630E-01  -1.534046E-02  -4.137817E-01   4.505065E-01   1.353894E+00  -3.363956E-01   3.871927E-02
  1.5552119000  9.453411E-01  -4.383886E-01   2.024700E+00   5.929399E-01  -5.432425E-01  -4.269626E-01   1.415947E-01
  0.4876164400  1.565036E-01  -2.814228E-02  -2.432755E+00   1.561792E-01  -7.562628E-01  -3.330511E-01   1.250226E-01
  0.1020489500 -5.208302E-03   1.075133E+00   1.016894E+00  -7.769120E-03   3.950325E-01  -9.494162E-02  -1.022911E+00
  3  1  1  1  1
  0.146588    1.000000

Cu (5spd) min-pbe min-pbe-q19
  1
  1  0  2  5  3 1 2
  9.5029804200  3.706329E-01   6.864983E-02   1.334603E-02   1.303541E-01  -1.501955E-01   3.425776E-02
  4.6636514900 -1.528808E-01  -1.680849E-02  -4.201391E-01  -4.700264E-01  -3.485258E-01   3.654081E-02
  1.6860979800 -9.418604E-01  -4.277506E-01   2.003904E+00  -5.910961E-01  -4.300971E-01   1.355785E-01
  0.5253635300 -1.561948E-01  -3.237302E-02  -2.407238E+00  -1.531207E-01  -3.293623E-01   1.291266E-01
  0.1086366600  5.625410E-03   1.075068E+00   1.001993E+00   7.790955E-03  -9.185456E-02  -1.024495E+00

Cu (5spd) sv-pbe sv-pbe-q19
  2
  1  0  2  5  3 2 2
  9.5029804200  3.706329E-01   6.864983E-02   1.334603E-02   1.303541E-01   8.400558E-03  -1.501955E-01   3.425776E-02
  4.6636514900 -1.528808E-01  -1.680849E-02  -4.201391E-01  -4.700264E-01   7.348943E-02  -3.485258E-01   3.654081E-02
  1.6860979800 -9.418604E-01  -4.277506E-01   2.003904E+00  -5.910961E-01   7.806066E-01  -4.300971E-01   1.355785E-01
  0.5253635300 -1.561948E-01  -3.237302E-02  -2.407238E+00  -1.531207E-01  -1.228605E+00  -3.293623E-01   1.291266E-01
  0.1086366600  5.625410E-03   1.075068E+00   1.001993E+00   7.790955E-03  -1.127090E-01  -9.185456E-02  -1.024495E+00
  3  1  1  1  1
  0.155065    1.000000

Zn (5spd) min-pbe min-pbe-q20
  1
  1  0  2  5  3 1 2
  8.8659361900  4.739916E-01   9.087707E-02  -5.792115E-02   7.345477E-03  -2.468066E-01   4.826182E-02
  3.8184942800 -5.382657E-01  -1.166188E-01  -1.568133E-01  -5.190438E-01  -3.711442E-01   2.296772E-02
  1.4368788000 -7.434414E-01  -4.112187E-01   1.703870E+00  -5.066567E-01  -3.877083E-01   1.781754E-01
  0.4637570400 -7.675333E-02   1.124820E-01  -2.438229E+00  -8.217699E-02  -2.748531E-01   1.478918E-02
  0.1027324900  3.075916E-03   1.010877E+00   1.136439E+00   3.637747E-03  -6.346185E-02  -9.971617E-01

Zn (5spd) sv-pbe sv-pbe-q20
  2
  1  0  2  5  3 2 2
  8.8659361900  4.739916E-01   9.087707E-02  -5.792115E-02   7.345477E-03   1.363726E-01  -2.468066E-01   4.826182E-02
  3.8184942800 -5.382657E-01  -1.166188E-01  -1.568133E-01  -5.190438E-01  -1.481138E+00  -3.711442E-01   2.296772E-02
  1.4368788000 -7.434414E-01  -4.112187E-01   1.703870E+00  -5.066567E-01   1.242810E+00  -3.877083E-01   1.781754E-01
  0.4637570400 -7.675333E-02   1.124820E-01  -2.438229E+00  -8.217699E-02   2.449178E-01  -2.748531E-01   1.478918E-02
  0.1027324900  3.075916E-03   1.010877E+00   1.136439E+00   3.637747E-03  -2.993397E-01  -6.346185E-02  -9.971617E-01
  3  1  1  1  1
  0.162455    1.000000

Ga (5spd) min-pbe min-pbe-q13
  1
  1  0  2  5  2 2 1
  6.7750210400  3.924426E-03   4.256818E-02   1.723025E-03   1.604084E-02  -3.516655E-01
  2.8968056400  1.297796E-02  -1.997850E-01  -1.439825E-02  -5.054862E-02  -4.253249E-01
  1.0365793700 -3.904082E-01   1.028286E+00  -6.003001E-02   3.215515E-01  -3.466099E-01
  0.3331003400  5.450211E-01  -2.309477E+00   3.095004E-01  -1.460260E+00  -1.395142E-01
  0.0887972200  7.265857E-01   1.494669E+00   8.060628E-01   1.018455E+00  -5.858866E-03

Ga (5spd) sv-pbe sv-pbe-q13
  1
  1  0  2  5  2 2 2
  6.7750210400  3.924426E-03   4.256818E-02   1.723025E-03   1.604084E-02  -3.516655E-01   4.491503E-02
  2.8968056400  1.297796E-02  -1.997850E-01  -1.439825E-02  -5.054862E-02  -4.253249E-01  -8.703615E-02
  1.0365793700 -3.904082E-01   1.028286E+00  -6.003001E-02   3.215515E-01  -3.466099E-01   3.845936E-01
  0.3331003400  5.450211E-01  -2.309477E+00   3.095004E-01  -1.460260E+00  -1.395142E-01  -3.506458E-01
  0.0887972200  7.265857E-01   1.494669E+00   8.060628E-01   1.018455E+00  -5.858866E-03  -8.325587E-01

Ge (3s3p) min-pbe min-pbe-q4
  3
  1  0  0  3  1
  1.1503917600 -3.860950E-01
  0.3290732300  6.249175E-01
  0.1111575200  6.297300E-01
  1  1  1  3  1
  1.9062003100 -4.302391E-02
  0.2689973200  5.458896E-01
  0.0747856900  5.762249E-01
  3  2  2  1  1
  0.246000000  1.000000000

Ge (3s3p) sv-pbe sv-pbe-q4
  3
  1  0  0  3  2
  1.1503917600 -3.860950E-01   6.807555E-01
  0.3290732300  6.249175E-01  -2.360654E+00
  0.1111575200  6.297300E-01   1.796994E+00
  1  1  1  3  2
  1.9062003100 -4.302391E-02   6.051671E-02
  0.2689973200  5.458896E-01  -1.185003E+00
  0.0747856900  5.762249E-01   1.141905E+00
  3  2  2  1  1
  0.246000000  1.000000000

As (3s3p) min-pbe min-pbe-q5
  3
  1  0  0  3  1
  1.2816934100 -3.839569E-01
  0.3636642900  6.854903E-01
  0.1288818800  5.716100E-01
  1  1  1  3  1
  2.0890767700 -4.713876E-02
  0.3255197700  5.711034E-01
  0.0940892200  5.478536E-01
  3  2  2  1  1
  0.293000000  1.000000000

As (3s3p) sv-pbe sv-pbe-q5
  3
  1  0  0  3  2
  1.2816934100 -3.839569E-01  -5.241839E-01
  0.3636642900  6.854903E-01   2.301493E+00
  0.1288818800  5.716100E-01  -1.850480E+00
  1  1  1  3  2
  2.0890767700 -4.713876E-02   6.157958E-02
  0.3255197700  5.711034E-01  -1.204060E+00
  0.0940892200  5.478536E-01   1.182071E+00
  3  2  2  1  1
  0.293000000  1.000000000

Se (3s3p) min-pbe min-pbe-q6
  3
  1  0  0  3  1
  1.3660678600 -4.410715E-01
  0.4522934900  7.045150E-01
  0.1570540500  6.041622E-01
  1  1  1  3  1
  2.4371054900 -6.517805E-02
  0.3915205300  5.857158E-01
  0.1154395000  5.354206E-01
  3  2  2  1  1
  0.338000000  1.000000000

Se (3s3p) sv-pbe sv-pbe-q6
  3
  1  0  0  3  2
  1.3660678600 -4.410715E-01   7.951162E-01
  0.4522934900  7.045150E-01  -2.566829E+00
  0.1570540500  6.041622E-01   1.893819E+00
  1  1  1  3  2
  2.4371054900 -6.517805E-02   9.006763E-02
  0.3915205300  5.857158E-01  -1.229387E+00
  0.1154395000  5.354206E-01   1.205911E+00
  3  2  2  1  1
  0.338000000  1.000000000

Br (3s3p) min-pbe min-pbe-q7
  3
  1  0  0  3  1
  1.5704700200  4.318106E-01
  0.4884258100 -7.389769E-01
  0.1754813600 -5.572617E-01
  1  1  1  3  1
  2.6916447600 -7.289121E-02
  0.4579468300  5.993796E-01
  0.1369893700  5.228441E-01
  3  2  2  1  1
  0.389000000  1.000000000

Br (3s3p) sv-pbe sv-pbe-q7
  3
  1  0  0  3  2
  1.5704700200  4.318106E-01  -5.674496E-01
  0.4884258100 -7.389769E-01   2.394716E+00
  0.1754813600 -5.572617E-01  -1.892639E+00
  1  1  1  3  2
  2.6916447600 -7.289121E-02   9.849806E-02
  0.4579468300  5.993796E-01  -1.242865E+00
  0.1369893700  5.228441E-01   1.223724E+00
  3  2  2  1  1
  0.389000000  1.000000000

Kr (3s3p) min-pbe min-pbe-q8
  3
  1  0  0  3  1
  1.6697600300 -4.746619E-01
  0.5797860500  7.591105E-01
  0.2046277300  5.790516E-01
  1  1  1  3  1
  2.9621172600 -7.986800E-02
  0.5283809000  6.101028E-01
  0.1596084900  5.137103E-01
  3  2  2  1  1
  0.443000000  1.000000000

Kr (3s3p) sv-pbe sv-pbe-q8
  3
  1  0  0  3  2
  1.6697600300 -4.746619E-01   8.361558E-01
  0.5797860500  7.591105E-01  -2.653555E+00
  0.2046277300  5.790516E-01   1.945863E+00
  1  1  1  3  2
  2.9621172600 -7.986800E-02   1.067711E-01
  0.5283809000  6.101028E-01  -1.254221E+00
  0.1596084900  5.137103E-01   1.236696E+00
  3  2  2  1  1
  0.443000000  1.000000000

Rb (5s3p) min-pbe min-pbe-q9
  2
  1  0  0  5  3
  6.4696748200  8.042014E-02  -2.248881E-02   1.125529E-01
  2.5742313100 -4.749625E-01   1.480572E-01  -5.999574E-01
  0.5091562900  9.059528E-01  -3.743971E-01   2.488445E+00
  0.1901006100  3.318258E-01  -2.999849E-01  -2.701304E+00
  0.0381832900 -2.859504E-03   1.183537E+00   8.758801E-01
  1  1  1  3  1
  1.7027443800 -1.403922E-01
  0.6883067300  6.496106E-01
  0.2160958100  5.324213E-01

Rb (5s3p) sv-pbe sv-pbe-q9
  2
  1  0  0  5  3
  6.4696748200  8.042014E-02  -2.248881E-02   1.125529E-01
  2.5742313100 -4.749625E-01   1.480572E-01  -5.999574E-01
  0.5091562900  9.059528E-01  -3.743971E-01   2.488445E+00
  0.1901006100  3.318258E-01  -2.999849E-01  -2.701304E+00
  0.0381832900 -2.859504E-03   1.183537E+00   8.758801E-01
  1  1  1  3  2
  1.7027443800 -1.403922E-01   3.952379E-01
  0.6883067300  6.496106E-01  -1.619608E+00
  0.2160958100  5.324213E-01   1.344123E+00

Sr (6s3p) min-pbe min-pbe-q10
  2
  1  0  0  5  3
  7.1926734700  6.977869E-02  -2.219268E-02   1.117241E-01
  2.6693550900 -5.038081E-01   1.812385E-01  -7.147531E-01
  0.6303163100  8.188034E-01  -4.268263E-01   2.851523E+00
  0.2793031300  4.412463E-01  -2.316052E-01  -2.616425E+00
  0.0433777600  1.094814E-02   1.150035E+00   6.267546E-02
  0.0191939500 -2.606271E-03  -2.113048E-02   6.045680E-01
  1  1  1  3  1
  0.5471922500  8.070698E-01
  0.1769821900  2.560556E-01
  0.0211761200  1.552611E-04

Sr (6s3p) sv-pbe sv-pbe-q10
  2
  1  0  0  5  3
  7.1926734700  6.977869E-02  -2.219268E-02   1.117241E-01
  2.6693550900 -5.038081E-01   1.812385E-01  -7.147531E-01
  0.6303163100  8.188034E-01  -4.268263E-01   2.851523E+00
  0.2793031300  4.412463E-01  -2.316052E-01  -2.616425E+00
  0.0433777600  1.094814E-02   1.150035E+00   6.267546E-02
  0.0191939500 -2.606271E-03  -2.113048E-02   6.045680E-01
  1  1  1  3  2
  0.5471922500  8.070698E-01  -1.061727E+00
  0.1769821900  2.560556E-01   1.260285E+00
  0.0211761200  1.552611E-04   1.604308E-01

Y (4sp3d) min-pbe min-pbe-q11 sv-pbe sv-pbe-q11
  2
  1  0  1  4  3  2
  1.9088512400 -8.407993E-01   3.481001E-01  -1.796853E+00   2.048472E-01  -3.820361E-01
  0.9692193900  1.063377E+00  -5.335868E-01   3.999308E+00  -6.790541E-01   1.273138E+00
  0.3390001000  6.023317E-01  -3.457055E-01  -2.670806E+00  -5.405430E-01  -7.276971E-01
  0.0528978800  5.150281E-03   1.150041E+00   6.820448E-01  -2.457811E-02  -6.740459E-01
  2  2  2  3  2
  0.8766847600 -3.144631E-01   3.171793E-01
  0.2846057700 -5.063927E-01   5.914295E-01
  0.0809724700 -4.365194E-01  -1.020485E+00

Zr (4sp3d) min-pbe min-pbe-q12 sv-pbe sv-pbe-q12
  2
  1  0  1  4  3  2
  1.8433657400 -1.879599E+00   8.329822E-01  -5.901974E+00   7.761048E-01  -1.415369E+00
  1.4031171000  1.936922E+00  -9.364925E-01   8.069399E+00  -1.135750E+00   2.187698E+00
  0.4229585300  7.561486E-01  -4.333316E-01  -2.538762E+00  -6.319893E-01  -5.633534E-01
  0.0602673100  9.219857E-03   1.151756E+00   5.917631E-01  -3.018307E-02  -7.568221E-01
  2  2  2  3  2
  1.0238549900 -3.289434E-01   3.163857E-01
  0.3481523100 -5.179712E-01   5.702934E-01
  0.1027906900 -3.942171E-01  -1.045993E+00

Nb (4sp3d) min-pbe min-pbe-q13 sv-pbe sv-pbe-q13
  2
  1  0  1  4  3  2
  2.0932716300 -1.148147E+00   5.234240E-01  -3.292633E+00   4.259615E-01  -8.171123E-01
  1.3648836200  1.262947E+00  -6.754612E-01   5.584722E+00  -8.373305E-01   1.690717E+00
  0.4565579300  7.243070E-01  -3.895255E-01  -2.672409E+00  -5.877849E-01  -6.983144E-01
  0.0664760400  5.454378E-03   1.147113E+00   6.311520E-01  -2.607054E-02  -7.052586E-01
  2  2  2  3  2
  1.1576375400 -3.634612E-01   3.208633E-01
  0.3992463100 -5.176207E-01   5.363836E-01
  0.1212879700 -3.519323E-01  -1.065739E+00

Mo (4sp3d) min-pbe min-pbe-q14 sv-pbe sv-pbe-q14
  2
  1  0  1  4  3  2
  2.0380674800 -4.289460E+00   2.030280E+00  -1.622781E+01   2.174277E+00   2.508895E+00
  1.8295146500  4.325195E+00  -2.135906E+00   1.846744E+01  -2.539518E+00  -3.043814E+00
  0.5290209700  7.950445E-01  -4.288126E-01  -2.572399E+00  -6.260557E-01   8.813844E-01
  0.0723794000  8.013678E-03   1.144161E+00   5.768926E-01  -2.772799E-02  -1.086129E+00
  2  2  2  3  2
  1.2255690100 -4.105632E-01   1.932658E-01
  0.4241488600 -5.087074E-01   6.456654E-01
  0.1328447600 -3.057331E-01  -1.142099E+00

Tc (4sp3d) min-pbe min-pbe-q15 sv-pbe sv-pbe-q15
  2
  1  0  1  4  3  2
  2.2114520000  2.729266E+00   1.270788E+00  -9.525657E+00   1.250271E+00   1.647388E+00
  1.8520385700 -2.790822E+00  -1.396415E+00   1.183238E+01  -1.638832E+00  -2.279374E+00
  0.5662334700 -7.680169E-01  -4.009354E-01  -2.652312E+00  -6.059866E-01   9.756192E-01
  0.0770057100 -7.650228E-03   1.138822E+00   5.886697E-01  -2.453481E-02  -1.075959E+00
  2  2  2  3  2
  1.2801554500 -4.488460E-01   1.875254E-01
  0.4458836500 -4.980912E-01   6.265541E-01
  0.1430864100 -2.690451E-01  -1.161340E+00

Ru (4sp3d) min-pbe min-pbe-q16 sv-pbe sv-pbe-q16
  2
  1  0  1  4  3  2
  2.2077785600  4.757879E+00   2.000040E+00  -1.651097E+01   2.155612E+00   6.364293E+00
  1.9833989500 -4.828393E+00  -2.114288E+00   1.879250E+01  -2.570040E+00  -7.698232E+00
  0.5871934000 -7.524279E-01  -3.689507E-01  -2.600201E+00  -5.873402E-01   1.590479E+00
  0.0722395600 -5.640225E-03   1.120466E+00   5.392019E-01  -2.136895E-02  -6.809835E-01
  2  2  2  3  2
  1.3270117800 -4.564206E-01   1.406879E-01
  0.4482268500 -4.954365E-01   6.519540E-01
  0.1366252100 -2.785710E-01  -1.153311E+00

Rh (4sp3d) min-pbe min-pbe-q17 sv-pbe sv-pbe-q17
  2
  1  0  1  4  3  2
  2.5649072000  1.755528E+00   7.912929E-01  -5.315528E+00   7.015410E-01   9.362173E-01
  1.9066824500 -1.863315E+00  -9.553801E-01   7.727775E+00  -1.124577E+00  -1.672597E+00
  0.6358713600 -7.183175E-01  -3.452181E-01  -2.775653E+00  -5.714977E-01   1.068237E+00
  0.0852082400 -5.978413E-03   1.127682E+00   6.064537E-01  -1.973525E-02  -1.060763E+00
  2  2  2  3  2
  1.4286795600 -4.990048E-01   1.715719E-01
  0.5025387500 -4.798580E-01   6.085537E-01
  0.1657911600 -2.231013E-01  -1.185002E+00

Pd (4sp3d) min-pbe min-pbe-q18 sv-pbe sv-pbe-q18
  2
  1  0  1  4  3  2
  2.7754586800  1.829914E+00   8.014062E-01  -5.644972E+00   7.048130E-01   1.086985E+00
  2.0962721300 -1.927388E+00  -9.548340E-01   8.046379E+00  -1.141094E+00  -1.845445E+00
  0.6944653900 -7.289922E-01  -3.458839E-01  -2.742196E+00  -5.657191E-01   1.087124E+00
  0.0896492600 -6.568265E-03   1.122637E+00   5.835515E-01  -1.917765E-02  -1.047605E+00
  2  2  2  3  2
  1.5199080100 -5.289356E-01   1.692983E-01
  0.5307453900 -4.663447E-01   5.876175E-01
  0.1763050500 -2.020843E-01  -1.189465E+00

Ag (4sp3d) min-pbe min-pbe-q19 sv-pbe sv-pbe-q19
  2
  1  0  1  4  3  2
  3.2311932700  1.097433E+00   4.625729E-01  -2.821665E+00   3.339084E-01   4.495070E-01
  1.9871678300 -1.248844E+00  -6.569285E-01   5.260134E+00  -8.163436E-01  -1.183018E+00
  0.7196037300 -6.770499E-01  -2.934000E-01  -2.799131E+00  -5.247051E-01   1.060496E+00
  0.0934140400 -4.586129E-03   1.114133E+00   6.059893E-01  -1.666653E-02  -1.056508E+00
  2  2  2  3  2
  1.6107848600 -5.587113E-01   1.664583E-01
  0.5613814600 -4.491783E-01   5.682596E-01
  0.1876860700 -1.840567E-01  -1.192994E+00

Cd (4sp3d) min-pbe min-pbe-q20 sv-pbe sv-pbe-q20
  2
  1  0  1  4  3  2
  3.2765385300  1.402241E+00   5.594543E-01  -3.871675E+00   4.234852E-01   7.079345E-01
  2.2532847000 -1.524449E+00  -7.252979E-01   6.305476E+00  -8.987997E-01  -1.448815E+00
  0.7864922800 -7.043947E-01  -3.172980E-01  -2.751112E+00  -5.394368E-01   1.061815E+00
  0.0972946800 -6.245603E-03   1.112357E+00   5.704383E-01  -1.684408E-02  -1.044619E+00
  2  2  2  3  2
  1.7321425900 -5.509887E-01   1.473097E-01
  0.6174313700 -4.507778E-01   5.992527E-01
  0.2074289300 -1.865163E-01  -1.204388E+00

In (4sp3d) min-pbe min-pbe-q13 sv-pbe sv-pbe-q13
  2
  1  0  1  4  2  2
  1.5749562800  3.265915E-01  -3.768416E-01   3.101099E-02  -7.236980E-02
  1.1347711700 -6.449614E-01   7.207173E-01  -8.861606E-02   1.639638E-01
  0.1580025200  8.496753E-01  -1.795178E+00   5.319239E-01  -1.309745E+00
  0.0499650200  3.409578E-01   1.694384E+00   5.763300E-01   1.243315E+00
  2  2  2  3  2
  2.6316973100 -3.819880E-01  -3.019434E-01
  1.0570813100 -5.218156E-01   1.188045E+00
  0.3557535400 -2.786243E-01  -1.317625E+00

Sn (3s3p) min-pbe min-pbe-q4
  3
  1  0  0  3  1
  1.6421206300  1.217673E+00
  1.4753434000 -1.508642E+00
  0.1406800200  1.121983E+00
  1  1  1  3  1
  1.1240179100 -8.618026E-02
  0.1986553200  5.818644E-01
  0.0598220700  5.437675E-01
  3  2  2  1  1
  0.20500000000 1.000000000

Sn (3s3p) sv-pbe sv-pbe-q4
  3
  1  0  0  3  2
  1.6421206300  1.217673E+00   1.315688E+01
  1.4753434000 -1.508642E+00  -1.397137E+01
  0.1406800200  1.121983E+00   4.928284E-01
  1  1  1  3  2
  1.1240179100 -8.618026E-02   1.229192E-01
  0.1986553200  5.818644E-01  -1.272979E+00
  0.0598220700  5.437675E-01   1.223294E+00
  3  2  2  1  1
  0.20500000000 1.000000000

Sb (3s3p) min-pbe min-pbe-q5
  3
  1  0  0  3  1
  0.5756688200 -4.170155E+00
  0.5156233900  4.225848E+00
  0.1224935200  7.882641E-01
  1  1  1  3  1
  1.1811977200 -9.852982E-02
  0.2376595700  6.042490E-01
  0.0741538600  5.240499E-01
  3  2  2  1  1
  0.23060000000 1.000000000

Sb (3s3p) sv-pbe sv-pbe-q5
  3
  1  0  0  3  2
  0.5756688200 -4.170155E+00   1.403204E+01
  0.5156233900  4.225848E+00  -1.568799E+01
  0.1224935200  7.882641E-01   1.723814E+00
  1  1  1  3  2
  1.1811977200 -9.852982E-02   1.425179E-01
  0.2376595700  6.042490E-01  -1.316608E+00
  0.0741538600  5.240499E-01   1.265527E+00
  3  2  2  1  1
  0.23060000000 1.000000000

Te (3s3p) min-pbe min-pbe-q6
  3
  1  0  0  3  1
  0.7325825800 -1.203066E+00
  0.4900569300  1.279844E+00
  0.1393150400  7.602367E-01
  1  1  1  3  1
  1.2835023200 -1.130141E-01
  0.2772630000  6.234302E-01
  0.0884352600  5.091089E-01
  3  2  2  1  1
  0.25000000000 1.000000000

Te (3s3p) sv-pbe sv-pbe-q6
  3
  1  0  0  3  2
  0.7325825800 -1.203066E+00   3.403106E+00
  0.4900569300  1.279844E+00  -5.156811E+00
  0.1393150400  7.602367E-01   1.839090E+00
  1  1  1  3  2
  1.2835023200 -1.130141E-01   1.624568E-01
  0.2772630000  6.234302E-01  -1.349873E+00
  0.0884352600  5.091089E-01   1.295189E+00
  3  2  2  1  1
  0.25000000000 1.000000000

I (3s3p) min-pbe min-pbe-q7
  3
  1  0  0  3  1
  0.6857867500 -4.638980E+00
  0.6152456000  4.731068E+00
  0.1563621900  7.443161E-01
  1  1  1  3  1
  1.3996196300 -1.239359E-01
  0.3173066600  6.400256E-01
  0.1027725600  4.961807E-01
  3  2  2  1  1
  0.30900000000 1.000000000

I (3s3p) sv-pbe sv-pbe-q7
  3
  1  0  0  3  2
  0.6857867500 -4.638980E+00   1.458806E+01
  0.6152456000  4.731068E+00  -1.635955E+01
  0.1563621900  7.443161E-01   1.863499E+00
  1  1  1  3  2
  1.3996196300 -1.239359E-01   1.739354E-01
  0.3173066600  6.400256E-01  -1.372371E+00
  0.1027725600  4.961807E-01   1.316936E+00
  3  2  2  1  1
  0.30900000000 1.000000000

Xe (3s3p) min-pbe min-pbe-q8
  3
  1  0  0  3  1
  0.7491303900 -4.705506E+00
  0.6718648200  4.807601E+00
  0.1749372500  7.334742E-01
  1  1  1  3  1
  1.5043855400 -1.306344E-01
  0.3581712100  6.541707E-01
  0.1172975700  4.852965E-01
  3  2  2  1  1
  0.32000000000 1.000000000

Xe (3s3p) sv-pbe sv-pbe-q8
  3
  1  0  0  3  2
  0.7491303900 -4.705506E+00   1.464180E+01
  0.6718648200  4.807601E+00  -1.645863E+01
  0.1749372500  7.334742E-01   1.912880E+00
  1  1  1  3  2
  1.5043855400 -1.306344E-01   1.811212E-01
  0.3581712100  6.541707E-01  -1.389775E+00
  0.1172975700  4.852965E-01   1.333783E+00
  3  2  2  1  1
  0.32000000000 1.000000000

Cs (5s3p) min-pbe min-pbe-q9
  2
  1  0  0  5  3
  2.1663723200 -1.691295E+00   5.600809E-01  -1.363933E+00
  1.9469215600  2.139296E+00  -7.169058E-01   1.713167E+00
  0.3248196200 -1.148195E+00   5.467285E-01  -1.561355E+00
  0.0533756000 -8.083595E-01   5.824987E+00   1.959307E+01
  0.0479642000  6.858921E-01  -6.809744E+00  -1.859437E+01
  1  1  1  3  1
  1.1441603300 -2.348742E-01
  0.4736477800  7.053522E-01
  0.1584003000  5.253723E-01

Cs (5s3p) sv-pbe sv-pbe-q9
  2
  1  0  0  5  3
  2.1663723200 -1.691295E+00   5.600809E-01  -1.363933E+00
  1.9469215600  2.139296E+00  -7.169058E-01   1.713167E+00
  0.3248196200 -1.148195E+00   5.467285E-01  -1.561355E+00
  0.0533756000 -8.083595E-01   5.824987E+00   1.959307E+01
  0.0479642000  6.858921E-01  -6.809744E+00  -1.859437E+01
  1  1  1  3  2
  1.1441603300 -2.348742E-01   5.059680E-01
  0.4736477800  7.053522E-01  -1.798495E+00
  0.1584003000  5.253723E-01   1.429989E+00

Ba (6s3p) min-pbe min-pbe-q10
  2
  1  0  0  6  3
  4.0077816800 -3.659379E-01  -9.894800E-02   1.426454E+00
  3.5628902500  6.143009E-01   1.826842E-01  -2.024049E+00
  1.7604533900 -7.799691E-01  -2.985523E-01   1.441854E+00
  0.4304049000  9.961207E-01   5.506601E-01  -3.433357E+00
  0.1801669800  3.497447E-01   2.982761E-01   3.453615E+00
  0.0410993800 -6.619290E-04  -1.222271E+00  -1.084808E+00
  1  1  1  3  1
  1.2277754400 -3.000740E-01
  0.5636613900  7.518459E-01
  0.1949343900  5.271630E-01

Ba (6s3p) sv-pbe sv-pbe-q10
  2
  1  0  0  6  3
  4.0077816800 -3.659379E-01  -9.894800E-02   1.426454E+00
  3.5628902500  6.143009E-01   1.826842E-01  -2.024049E+00
  1.7604533900 -7.799691E-01  -2.985523E-01   1.441854E+00
  0.4304049000  9.961207E-01   5.506601E-01  -3.433357E+00
  0.1801669800  3.497447E-01   2.982761E-01   3.453615E+00
  0.0410993800 -6.619290E-04  -1.222271E+00  -1.084808E+00
  1  1  1  3  2
  1.2277754400 -3.000740E-01   6.529659E-01
  0.5636613900  7.518459E-01  -2.011886E+00
  0.1949343900  5.271630E-01   1.501529E+00

La (4sp4df) min-pbe min-pbe-q11
  2
  1  0  1  4  3  2
  1.0294972600 -4.543645E+00   2.038558E+00  -1.667996E+01   2.532342E+00  -5.523888E+00
  0.9267012700  4.560500E+00  -2.109899E+00   1.891306E+01  -2.825909E+00   6.569723E+00
  0.2621795200  8.072526E-01  -5.385047E-01  -2.617504E+00  -6.631245E-01  -8.426281E-01
  0.0428432600 -4.257503E-03   1.199428E+00   6.465313E-01  -3.915769E-02  -5.489845E-01
  1  2  3  4  1  1
  3.9697767600 -8.330075E-03  -4.700456E-01
  1.3760923100 -1.821604E-02  -4.648924E-01
  0.4034128700  4.944068E-01  -3.313492E-01
  0.0970563300  6.856400E-01  -1.231891E-01

La (4sp4df) sv-pbe sv-pbe-q11
  2
  1  0  1  4  3  2
  1.0294972600 -4.543645E+00   2.038558E+00  -1.667996E+01   2.532342E+00  -5.523888E+00
  0.9267012700  4.560500E+00  -2.109899E+00   1.891306E+01  -2.825909E+00   6.569723E+00
  0.2621795200  8.072526E-01  -5.385047E-01  -2.617504E+00  -6.631245E-01  -8.426281E-01
  0.0428432600 -4.257503E-03   1.199428E+00   6.465313E-01  -3.915769E-02  -5.489845E-01
  1  2  3  4  2  2
  3.9697767600 -8.330075E-03   1.857718E-02   -4.700456E-01   1.602549E-01
  1.3760923100 -1.821604E-02   9.781341E-03   -4.648924E-01   2.341394E-01
  0.4034128700  4.944068E-01  -1.012513E+00   -3.313492E-01  -1.441052E-01
  0.0970563300  6.856400E-01   8.770869E-01   -1.231891E-01  -9.059440E-01

Ce (4sp4df) min-pbe min-pbe-q12
  2
  1  0  1  4  3  2
  1.1748200500 -3.895879E+00   1.810799E+00  -1.740705E+01   2.498341E+00  -4.315134E+00
  1.0577886100  3.823234E+00  -1.839343E+00   1.965137E+01  -2.744276E+00   4.951459E+00
  0.3015114600  8.951412E-01  -5.855083E-01  -2.591420E+00  -6.982131E-01  -3.560652E-01
  0.0474180800 -2.557514E-03   1.199704E+00   6.078361E-01  -4.237637E-02  -8.438788E-01
  1  2  3  4  1  1
  3.9125572400 -8.395313E-03  -4.784575E-01
  1.4546162900 -1.806213E-02  -4.629185E-01
  0.4627886200  5.071344E-01  -3.043034E-01
  0.1193535000  6.627632E-01  -8.223402E-02

Ce (4sp4df) sv-pbe sv-pbe-q12
  2
  1  0  1  4  3  2
  1.1748200500 -3.895879E+00   1.810799E+00  -1.740705E+01   2.498341E+00  -4.315134E+00
  1.0577886100  3.823234E+00  -1.839343E+00   1.965137E+01  -2.744276E+00   4.951459E+00
  0.3015114600  8.951412E-01  -5.855083E-01  -2.591420E+00  -6.982131E-01  -3.560652E-01
  0.0474180800 -2.557514E-03   1.199704E+00   6.078361E-01  -4.237637E-02  -8.438788E-01
  1  2  3  4  2  2
  3.9125572400 -8.395313E-03   2.552876E-03  -4.784575E-01   1.139006E-01
  1.4546162900 -1.806213E-02   7.241444E-02  -4.629185E-01   1.618932E-01
  0.4627886200  5.071344E-01  -1.069825E+00  -3.043034E-01  -2.071267E-02
  0.1193535000  6.627632E-01   9.329213E-01  -8.223402E-02  -9.730633E-01

Pr (4sp4df) min-pbe min-pbe-q13
  2
  1  0  1  4  3  2
  1.1613088600 -3.963436E+00   1.642741E+00  -1.580692E+01   2.549538E+00  -5.162992E+00
  1.0434828100  3.960094E+00  -1.684607E+00   1.794092E+01  -2.792423E+00   6.058703E+00
  0.2870867900  8.439576E-01  -5.418388E-01  -2.445373E+00  -6.981907E-01  -6.552598E-01
  0.0433174600 -4.399412E-03   1.183975E+00   5.766157E-01  -4.432961E-02  -6.656044E-01
  1  2  3  4  1  1
  4.0772434200 -1.996629E-03  -4.607124E-01
  1.5663099400 -3.292021E-02  -4.242430E-01
  0.5027847600  4.130826E-01  -3.327557E-01
  0.1187156200  7.605968E-01  -1.781195E-01

Pr (4sp4df) sv-pbe sv-pbe-q13
  2
  1  0  1  4  3  2
  1.1613088600 -3.963436E+00   1.642741E+00  -1.580692E+01   2.549538E+00  -5.162992E+00
  1.0434828100  3.960094E+00  -1.684607E+00   1.794092E+01  -2.792423E+00   6.058703E+00
  0.2870867900  8.439576E-01  -5.418388E-01  -2.445373E+00  -6.981907E-01  -6.552598E-01
  0.0433174600 -4.399412E-03   1.183975E+00   5.766157E-01  -4.432961E-02  -6.656044E-01
  1  2  3  4  2  2
  4.0772434200 -1.996629E-03  -8.007532E-04  -4.607124E-01   1.966708E-01
  1.5663099400 -3.292021E-02   8.309762E-02  -4.242430E-01   1.992210E-01
  0.5027847600  4.130826E-01  -1.089282E+00  -3.327557E-01  -4.595143E-02
  0.1187156200  7.605968E-01   8.150108E-01  -1.781195E-01  -9.353706E-01

Nd (4sp4df) min-pbe min-pbe-q14
  2
  1  0  1  4  3  2
  1.3177530900 -1.576856E+00   6.180633E-01  -5.055378E+00   8.041492E-01  -1.509943E+00
  0.9767443800  1.623407E+00  -6.818125E-01   7.196252E+00  -1.088359E+00   2.452462E+00
  0.2931042300  7.880671E-01  -5.013237E-01  -2.479014E+00  -6.743698E-01  -7.157877E-01
  0.0437794000 -3.005394E-03   1.174921E+00   5.852714E-01  -4.082519E-02  -6.331329E-01

  1  2  3  4  1  1
  4.3002857400  1.291064E-04  -4.696432E-01
  1.6906239700 -3.158642E-02  -4.242636E-01
  0.5482618500  3.924547E-01  -3.228860E-01
  0.1299964900  7.752447E-01  -1.605473E-01

Nd (4sp4df) sv-pbe sv-pbe-q14
  2
  1  0  1  4  3  2
  1.3177530900 -1.576856E+00   6.180633E-01  -5.055378E+00   8.041492E-01  -1.509943E+00
  0.9767443800  1.623407E+00  -6.818125E-01   7.196252E+00  -1.088359E+00   2.452462E+00
  0.2931042300  7.880671E-01  -5.013237E-01  -2.479014E+00  -6.743698E-01  -7.157877E-01
  0.0437794000 -3.005394E-03   1.174921E+00   5.852714E-01  -4.082519E-02  -6.331329E-01
  1  2  3  4  2  2
  4.3002857400  1.291064E-04  -6.951858E-03  -4.696432E-01   1.922460E-01
  1.6906239700 -3.158642E-02   8.957875E-02  -4.242636E-01   1.932787E-01
  0.5482618500  3.924547E-01  -1.101139E+00  -3.228860E-01  -6.997152E-02
  0.1299964900  7.752447E-01   8.035381E-01  -1.605473E-01  -9.317312E-01

Pm (4sp4df) min-pbe min-pbe-q15
  2
  1  0  1  4  3  2
  1.4314016100  1.090421E+00   4.149615E-01  -3.018526E+00   4.748728E-01  -7.077197E-01
  0.9017888400 -1.215782E+00  -5.143442E-01   5.197451E+00  -8.111108E-01   1.243564E+00
  0.2917141500 -7.157954E-01  -4.541756E-01  -2.576053E+00  -6.348262E-01  -2.893390E-01
  0.0441950100  3.999845E-03   1.169070E+00   6.177385E-01  -3.628606E-02  -8.871761E-01
  1  2  3  4  1  1
  4.4221866400 -2.780646E-04  -4.790744E-01
  1.7732035700 -2.673187E-02  -4.212341E-01
  0.5815456100  3.841291E-01  -3.136212E-01
  0.1391751800  7.788579E-01  -1.486704E-01

Pm (4sp4df) sv-pbe sv-pbe-q15
  2
  1  0  1  4  3  2
  1.4314016100  1.090421E+00   4.149615E-01  -3.018526E+00   4.748728E-01  -7.077197E-01
  0.9017888400 -1.215782E+00  -5.143442E-01   5.197451E+00  -8.111108E-01   1.243564E+00
  0.2917141500 -7.157954E-01  -4.541756E-01  -2.576053E+00  -6.348262E-01  -2.893390E-01
  0.0441950100  3.999845E-03   1.169070E+00   6.177385E-01  -3.628606E-02  -8.871761E-01
  1  2  3  4  2  2
  4.4221866400 -2.780646E-04  -2.226161E-02  -4.790744E-01   9.687992E-02
  1.7732035700 -2.673187E-02   1.466140E-01  -4.212341E-01   9.783562E-02
  0.5815456100  3.841291E-01  -1.138422E+00  -3.136212E-01   1.963766E-01
  0.1391751800  7.788579E-01   8.128346E-01  -1.486704E-01  -1.028169E+00

Sm (4sp4df) min-pbe min-pbe-q16
  2
  1  0  1  4  3  2
  1.5859281100  8.034046E-01   2.973425E-01  -1.744791E+00   2.752536E-01  -4.622713E-01
  0.7998156100 -1.042950E+00  -4.562189E-01   3.964391E+00  -6.904131E-01   1.122728E+00
  0.2815831500 -6.016626E-01  -3.815654E-01  -2.684713E+00  -5.706513E-01  -4.570807E-01
  0.0445145200  4.407741E-03   1.162238E+00   6.760730E-01  -2.964826E-02  -8.246883E-01
  1  2  3  4  1  1
  4.6832932400  9.398545E-04  -4.821057E-01
  1.9050176300 -2.664385E-02  -4.202636E-01
  0.6276638600  3.653550E-01  -3.094976E-01
  0.1507135000  7.922293E-01  -1.421494E-01

Sm (4sp4df) sv-pbe sv-pbe-q16
  2
  1  0  1  4  3  2
  1.5859281100  8.034046E-01   2.973425E-01  -1.744791E+00   2.752536E-01  -4.622713E-01
  0.7998156100 -1.042950E+00  -4.562189E-01   3.964391E+00  -6.904131E-01   1.122728E+00
  0.2815831500 -6.016626E-01  -3.815654E-01  -2.684713E+00  -5.706513E-01  -4.570807E-01
  0.0445145200  4.407741E-03   1.162238E+00   6.760730E-01  -2.964826E-02  -8.246883E-01
  1  2  3  4  2  2
  4.6832932400  9.398545E-04  -2.749310E-02  -4.821057E-01   8.745198E-02
  1.9050176300 -2.664385E-02   1.579233E-01  -4.202636E-01   8.753531E-02
  0.6276638600  3.653550E-01  -1.151894E+00  -3.094976E-01   2.130886E-01
  0.1507135000  7.922293E-01   8.023762E-01  -1.421494E-01  -1.033896E+00

Eu (4sp4df) min-pbe min-pbe-q17
  2
  1  0  1  4  3  2
  1.6938923700  8.284559E-01   2.988315E-01  -2.069791E+00   3.448000E-01  -5.029094E-01
  0.9170875600 -9.754880E-01  -4.042014E-01   4.219581E+00  -6.971249E-01   1.062454E+00
  0.3091628900 -6.964174E-01  -4.296561E-01  -2.541756E+00  -6.194936E-01  -3.291197E-01
  0.0456607800  6.059896E-03   1.159970E+00   6.055926E-01  -3.578937E-02  -8.736086E-01
  1  2  3  4  1  1
  4.9103581000  1.303631E-03  -4.861007E-01
  2.0186726900 -2.829511E-02  -4.191091E-01
  0.6679399800  3.557360E-01  -3.046390E-01
  0.1608101400  7.993547E-01  -1.372733E-01

Eu (4sp4df) sv-pbe sv-pbe-q17
  2
  1  0  1  4  3  2
  1.6938923700  8.284559E-01   2.988315E-01  -2.069791E+00   3.448000E-01  -5.029094E-01
  0.9170875600 -9.754880E-01  -4.042014E-01   4.219581E+00  -6.971249E-01   1.062454E+00
  0.3091628900 -6.964174E-01  -4.296561E-01  -2.541756E+00  -6.194936E-01  -3.291197E-01
  0.0456607800  6.059896E-03   1.159970E+00   6.055926E-01  -3.578937E-02  -8.736086E-01
  1  2  3  4  2  2
  4.9103581000  1.303631E-03  -3.045031E-02  -4.861007E-01   8.209323E-02
  2.0186726900 -2.829511E-02   1.693664E-01  -4.191091E-01   8.151961E-02
  0.6679399800  3.557360E-01  -1.162750E+00  -3.046390E-01   2.202483E-01
  0.1608101400  7.993547E-01   7.975614E-01  -1.372733E-01  -1.036916E+00

Gd (4sp4df) min-pbe min-pbe-q18
  2
  1  0  1  4  3  2
  1.6426207800 -1.083496E+00  -5.034583E-01   3.124613E+00   4.356106E-01  -8.082406E-01
  1.0374001800  1.205688E+00   6.333802E-01  -5.573856E+00  -7.791228E-01   1.577572E+00
  0.3567417700  7.181430E-01   5.646206E-01   2.997237E+00  -6.277283E-01  -4.795842E-01
  0.0698972500 -2.508914E-04  -1.248680E+00  -8.144971E-01  -3.700557E-02  -7.897221E-01
  1  2  3  4  1  1
  5.1668107400  3.556211E-03   -4.940023E-01
  2.2381622500 -3.866687E-02   -4.204699E-01
  0.7902816200  3.771193E-01   -2.831205E-01
  0.2207322800  7.657443E-01   -8.379090E-02

Gd (4sp4df) sv-pbe sv-pbe-q18
  2
  1  0  1  4  3  2
  1.6426207800 -1.083496E+00  -5.034583E-01   3.124613E+00   4.356106E-01  -8.082406E-01
  1.0374001800  1.205688E+00   6.333802E-01  -5.573856E+00  -7.791228E-01   1.577572E+00
  0.3567417700  7.181430E-01   5.646206E-01   2.997237E+00  -6.277283E-01  -4.795842E-01
  0.0698972500 -2.508914E-04  -1.248680E+00  -8.144971E-01  -3.700557E-02  -7.897221E-01
  1  2  3  4  2  2
  5.1668107400  3.556211E-03  -4.269233E-02   -4.940023E-01   7.297021E-02
  2.2381622500 -3.866687E-02   2.146102E-01   -4.204699E-01   1.210824E-01
  0.7902816200  3.771193E-01  -1.250687E+00   -2.831205E-01   1.264868E-01
  0.2207322800  7.657443E-01   9.127602E-01   -8.379090E-02  -1.031870E+00

Tb (4sp4df) min-pbe min-pbe-q19
  2
  1  0  1  4  3  2
  1.9072398900  7.406908E-01   2.563847E-01  -1.803177E+00   3.061818E-01  -4.373515E-01
  0.9736675900 -8.981003E-01  -3.588895E-01   3.916969E+00  -6.640827E-01   9.896580E-01
  0.3303551100 -6.928098E-01  -4.183458E-01  -2.489774E+00  -6.163286E-01  -3.274338E-01
  0.0473417200  7.383881E-03   1.152858E+00   5.859728E-01  -3.646449E-02  -8.749871E-01
  1  2  3  4  1  1
  5.3432827600  2.169266E-03  -4.939883E-01
  2.2410716100 -2.740757E-02  -4.162031E-01
  0.7449837600  3.355559E-01  -2.955793E-01
  0.1797148700  8.132585E-01  -1.302785E-01

Tb (4sp4df) sv-pbe sv-pbe-q19
  2
  1  0  1  4  3  2
  1.9072398900  7.406908E-01   2.563847E-01  -1.803177E+00   3.061818E-01  -4.373515E-01
  0.9736675900 -8.981003E-01  -3.588895E-01   3.916969E+00  -6.640827E-01   9.896580E-01
  0.3303551100 -6.928098E-01  -4.183458E-01  -2.489774E+00  -6.163286E-01  -3.274338E-01
  0.0473417200  7.383881E-03   1.152858E+00   5.859728E-01  -3.646449E-02  -8.749871E-01
  1  2  3  4  2  2
  5.3432827600  2.169266E-03  -3.657924E-02  -4.939883E-01   7.265093E-02
  2.2410716100 -2.740757E-02   1.832066E-01  -4.162031E-01   6.898354E-02
  0.7449837600  3.355559E-01  -1.176742E+00  -2.955793E-01   2.378444E-01
  0.1797148700  8.132585E-01   7.857031E-01  -1.302785E-01  -1.042508E+00

Dy (4sp4df) min-pbe min-pbe-q20
  2
  1  0  1  4  3  2
  1.9823562600  6.890658E-01   2.368781E-01  -1.422906E+00   2.316855E-01  -3.807657E-01
  0.9116987300 -9.458026E-01  -3.892254E-01   3.552682E+00  -6.561265E-01   1.034960E+00
  0.3205146700 -5.938421E-01  -3.568221E-01  -2.561976E+00  -5.657011E-01  -4.653405E-01
  0.0476169400  6.883815E-03   1.146366E+00   6.332553E-01  -3.056849E-02  -8.210553E-01
  1  2  3  4  1  1
  5.6417870900  2.764135E-03  -4.934693E-01
  2.3844211000 -2.674591E-02  -4.156055E-01
  0.7942944500  3.221067E-01  -2.947179E-01
  0.1923447800  8.219981E-01  -1.299634E-01

Dy (4sp4df) sv-pbe sv-pbe-q20
  2
  1  0  1  4  3  2
  1.9823562600  6.890658E-01   2.368781E-01  -1.422906E+00   2.316855E-01  -3.807657E-01
  0.9116987300 -9.458026E-01  -3.892254E-01   3.552682E+00  -6.561265E-01   1.034960E+00
  0.3205146700 -5.938421E-01  -3.568221E-01  -2.561976E+00  -5.657011E-01  -4.653405E-01
  0.0476169400  6.883815E-03   1.146366E+00   6.332553E-01  -3.056849E-02  -8.210553E-01
  1  2  3  4  2  2
  5.6417870900  2.764135E-03  -4.049113E-02  -4.934693E-01   6.831444E-02
  2.3844211000 -2.674591E-02   1.914822E-01  -4.156055E-01   6.133847E-02
  0.7942944500  3.221067E-01  -1.186078E+00  -2.947179E-01   2.559366E-01
  0.1923447800  8.219981E-01   7.791480E-01  -1.299634E-01  -1.046495E+00

Ho (4sp4df) min-pbe min-pbe-q21
  2
  1  0  1  4  3  2
  2.0814626100  6.698263E-01   2.278177E-01  -1.370142E+00   2.360771E-01  -3.719904E-01
  0.9397541800 -9.272992E-01  -3.795244E-01   3.481898E+00  -6.549662E-01   1.023057E+00
  0.3299894900 -5.946185E-01  -3.519371E-01  -2.537753E+00  -5.672375E-01  -4.637907E-01
  0.0484960000  7.809758E-03   1.143545E+00   6.261780E-01  -3.100997E-02  -8.212481E-01
  1  2  3  4  1  1
  5.9565337700  3.467742E-03  -4.937509E-01
  2.5305275400 -2.769953E-02  -4.143001E-01
  0.8439050200  3.086256E-01  -2.943307E-01
  0.2050599900  8.310920E-01  -1.304690E-01

Ho (4sp4df) sv-pbe sv-pbe-q21
  2
  1  0  1  4  3  2
  2.0814626100  6.698263E-01   2.278177E-01  -1.370142E+00   2.360771E-01  -3.719904E-01
  0.9397541800 -9.272992E-01  -3.795244E-01   3.481898E+00  -6.549662E-01   1.023057E+00
  0.3299894900 -5.946185E-01  -3.519371E-01  -2.537753E+00  -5.672375E-01  -4.637907E-01
  0.0484960000  7.809758E-03   1.143545E+00   6.261780E-01  -3.100997E-02  -8.212481E-01
  1  2  3  4  2  2
  5.9565337700  3.467742E-03  -4.452390E-02  -4.937509E-01   6.574775E-02
  2.5305275400 -2.769953E-02   2.028195E-01  -4.143001E-01   5.466750E-02
  0.8439050200  3.086256E-01  -1.197056E+00  -2.943307E-01   2.715599E-01
  0.2050599900  8.310920E-01   7.720184E-01  -1.304690E-01  -1.049668E+00

Er (4sp4df) min-pbe min-pbe-q22
  2
  1  0  1  4  3  2
  2.1752932800  6.552281E-01   2.208943E-01  -1.291752E+00   2.157104E-01  -3.523005E-01
  0.9542497500 -9.349224E-01  -3.815052E-01   3.388020E+00  -6.504496E-01   1.021465E+00
  0.3359922200 -5.723487E-01  -3.348263E-01  -2.530856E+00  -5.570389E-01  -4.907839E-01
  0.0492355200  7.664999E-03   1.139463E+00   6.293644E-01  -3.003198E-02  -8.093577E-01
  1  2  3  4  1  1
  6.2623604500  3.879830E-03  -4.951288E-01
  2.6740651300 -2.590142E-02  -4.127200E-01
  0.8927500000  2.976387E-01  -2.931182E-01
  0.2173556700  8.378572E-01  -1.306927E-01

Er (4sp4df) sv-pbe sv-pbe-q22
  2
  1  0  1  4  3  2
  2.1752932800  6.552281E-01   2.208943E-01  -1.291752E+00   2.157104E-01  -3.523005E-01
  0.9542497500 -9.349224E-01  -3.815052E-01   3.388020E+00  -6.504496E-01   1.021465E+00
  0.3359922200 -5.723487E-01  -3.348263E-01  -2.530856E+00  -5.570389E-01  -4.907839E-01
  0.0492355200  7.664999E-03   1.139463E+00   6.293644E-01  -3.003198E-02  -8.093577E-01
  1  2  3  4  2  2
  6.2623604500  3.879830E-03  -4.737119E-02  -4.951288E-01   6.358080E-02
  2.6740651300 -2.590142E-02   2.060998E-01  -4.127200E-01   4.865936E-02
  0.8927500000  2.976387E-01  -1.201779E+00  -2.931182E-01   2.843779E-01
  0.2173556700  8.378572E-01   7.659741E-01  -1.306927E-01  -1.052147E+00

Tm (4sp4df) min-pbe min-pbe-q23
  2
  1  0  1  4  3  2
  2.2420859600  6.678150E-01   2.227402E-01  -1.343325E+00   2.103011E-01  -3.575832E-01
  1.0092001400 -9.382310E-01  -3.767825E-01   3.418041E+00  -6.434881E-01   1.013984E+00
  0.3506629500 -5.837429E-01  -3.351874E-01  -2.491548E+00  -5.645342E-01  -4.758116E-01
  0.0501534500  7.540937E-03   1.135744E+00   6.120211E-01  -3.108283E-02  -8.155283E-01
  1  2  3  4  1  1
  6.6195546900  4.078880E-03  -4.934034E-01
  2.8366890400 -2.248452E-02  -4.129330E-01
  0.9488666900  2.886615E-01  -2.931049E-01
  0.2317132500  8.426946E-01  -1.319976E-01

Tm (4sp4df) sv-pbe sv-pbe-q23
  2
  1  0  1  4  3  2
  2.2420859600  6.678150E-01   2.227402E-01  -1.343325E+00   2.103011E-01  -3.575832E-01
  1.0092001400 -9.382310E-01  -3.767825E-01   3.418041E+00  -6.434881E-01   1.013984E+00
  0.3506629500 -5.837429E-01  -3.351874E-01  -2.491548E+00  -5.645342E-01  -4.758116E-01
  0.0501534500  7.540937E-03   1.135744E+00   6.120211E-01  -3.108283E-02  -8.155283E-01
  1  2  3  4  2  2
  6.6195546900  4.078880E-03  -4.941671E-02  -4.934034E-01   6.210814E-02
  2.8366890400 -2.248452E-02   2.045220E-01  -4.129330E-01   4.425363E-02
  0.9488666900  2.886615E-01  -1.203431E+00  -2.931049E-01   2.960634E-01
  0.2317132500  8.426946E-01   7.621765E-01  -1.319976E-01  -1.054251E+00

Yb (4sp4df) min-pbe min-pbe-q24
  2
  1  0  1  4  3  2
  2.3862296800  5.971595E-01   1.975379E-01  -1.030246E+00   1.507306E-01  -2.908198E-01
  0.9387779100 -9.703218E-01  -3.983754E-01   3.097068E+00  -6.492237E-01   1.035598E+00
  0.3365610900 -4.812464E-01  -2.763068E-01  -2.547903E+00  -5.115619E-01  -6.016590E-01
  0.0504500800  6.334133E-03   1.129755E+00   6.639019E-01  -2.543283E-02  -7.573104E-01
  1  2  3  4  1  1
  6.8817105000  5.244081E-03  -5.023180E-01
  2.9790285200 -3.368680E-02  -4.087081E-01
  0.9924178700  2.791899E-01  -2.869224E-01
  0.2412534900  8.521208E-01  -1.293909E-01

Yb (4sp4df) sv-pbe sv-pbe-q24
  2
  1  0  1  4  3  2
  2.3862296800  5.971595E-01   1.975379E-01  -1.030246E+00   1.507306E-01  -2.908198E-01
  0.9387779100 -9.703218E-01  -3.983754E-01   3.097068E+00  -6.492237E-01   1.035598E+00
  0.3365610900 -4.812464E-01  -2.763068E-01  -2.547903E+00  -5.115619E-01  -6.016590E-01
  0.0504500800  6.334133E-03   1.129755E+00   6.639019E-01  -2.543283E-02  -7.573104E-01
  1  2  3  4  2  2
  6.8817105000  5.244081E-03  -5.629861E-02  -5.023180E-01   5.818522E-02
  2.9790285200 -3.368680E-02   2.421630E-01  -4.087081E-01   3.494750E-02
  0.9924178700  2.791899E-01  -1.225533E+00  -2.869224E-01   3.087192E-01
  0.2412534900  8.521208E-01   7.519732E-01  -1.293909E-01  -1.056283E+00

Lu (4sp4df) min-pbe min-pbe-q25
  2
  1  0  1  4  3  2
  2.4692179900 -6.636850E-01  -2.776875E-01   1.390695E+00   2.018104E-01  -3.587240E-01
  1.0997807100  9.267351E-01   4.684394E-01  -3.742423E+00  -6.319778E-01   1.173130E+00
  0.4081693400  5.849209E-01   4.542997E-01   2.957868E+00  -5.575908E-01  -5.703174E-01
  0.0804556500 -4.776902E-03  -1.224370E+00  -8.433957E-01  -3.280328E-02  -7.499196E-01
  1  2  3  4  1  1
  7.3328552700  7.306623E-03  -5.054992E-01
  3.3039454000 -3.995311E-02  -4.095126E-01
  1.1487476300  2.882708E-01  -2.736810E-01
  0.3120689800  8.350442E-01  -9.281891E-02

Lu (4sp4df) sv-pbe sv-pbe-q25
  2
  1  0  1  4  3  2
  2.4692179900 -6.636850E-01  -2.776875E-01   1.390695E+00   2.018104E-01  -3.587240E-01
  1.0997807100  9.267351E-01   4.684394E-01  -3.742423E+00  -6.319778E-01   1.173130E+00
  0.4081693400  5.849209E-01   4.542997E-01   2.957868E+00  -5.575908E-01  -5.703174E-01
  0.0804556500 -4.776902E-03  -1.224370E+00  -8.433957E-01  -3.280328E-02  -7.499196E-01
  1  2  3  4  2  2
  7.3328552700  7.306623E-03  -6.992718E-02  -5.054992E-01   5.475974E-02
  3.3039454000 -3.995311E-02   2.831116E-01  -4.095126E-01   5.996518E-02
  1.1487476300  2.882708E-01  -1.295870E+00  -2.736810E-01   2.502013E-01
  0.3120689800  8.350442E-01   8.384570E-01  -9.281891E-02  -1.064845E+00

Hf (4sp3d) min-pbe min-pbe-q12 sv-pbe sv-pbe-q12
  2
  1  0  1  4  3  2
  2.1012423800 -4.758218E+00   1.788256E+00  -1.705103E+01   2.325372E+00  -3.356718E+00
  1.8908538700  4.763092E+00  -1.824551E+00   1.910810E+01  -2.578365E+00   3.857877E+00
  0.5068545800  8.001757E-01  -5.138778E-01  -2.415085E+00  -7.081777E-01  -2.079298E-01
  0.0732230300  1.271835E-03   1.171285E+00   5.553101E-01  -4.241143E-02  -9.008032E-01
  2  2  2  3  2
  0.8802982200 -3.497002E-01   3.264164E-01
  0.2883868000 -5.126205E-01   5.496353E-01
  0.0846791800 -3.879238E-01  -1.042822E+00

Ta (4sp3d) min-pbe min-pbe-q13 sv-pbe sv-pbe-q13
  2
  1  0  1  4  3  2
  2.8406766000  7.143060E-01   2.395910E-01  -1.915588E+00   3.393604E-01  -4.396160E-01
  1.5215192800 -7.516254E-01  -2.973046E-01   4.181298E+00  -6.219862E-01   1.019030E+00
  0.5348434900 -8.072008E-01  -5.337996E-01  -2.572619E+00  -6.713283E-01  -2.911508E-01
  0.0814620400  4.679655E-03   1.184734E+00   5.964583E-01  -4.104212E-02  -8.815617E-01
  2  2  2  3  2
  1.0477086200 -3.282539E-01   2.979984E-01
  0.3627736400 -5.239268E-01   5.853672E-01
  0.1082485300 -3.822654E-01  -1.060415E+00

W  (4sp3d) min-pbe min-pbe-q14 sv-pbe sv-pbe-q14
  2
  1  0  1  4  3  2
  2.8919276800  7.948853E-01   2.654691E-01  -2.163280E+00   3.779725E-01  -5.064073E-01
  1.6433131200 -8.254627E-01  -3.250984E-01   4.466374E+00  -6.582173E-01   1.096184E+00
  0.5752544200 -8.103157E-01  -5.382765E-01  -2.603185E+00  -6.737202E-01  -3.026158E-01
  0.0880237800  3.660178E-03   1.186307E+00   6.023163E-01  -3.914524E-02  -8.790034E-01
  2  2  2  3  2
  1.1658442200 -3.267863E-01   2.869218E-01
  0.4177928500 -5.307037E-01   5.931853E-01
  0.1271698300 -3.655389E-01  -1.076436E+00

Re (4sp3d) min-pbe min-pbe-q15 sv-pbe sv-pbe-q15
  2
  1  0  1  4  3  2
  2.9810608900  8.181189E-01  -2.694159E-01   1.996950E+00   3.558203E-01  -5.005609E-01
  1.6559105000 -8.998087E-01   3.612087E-01  -4.372778E+00  -6.721606E-01   1.163582E+00
  0.5982611500 -7.574322E-01   5.071312E-01   2.703389E+00  -6.440152E-01  -3.950117E-01
  0.0936308800  3.579332E-03  -1.185147E+00  -6.356122E-01  -3.424681E-02  -8.486697E-01
  2  2  2  3  2
  1.2800585700 -3.269019E-01   2.786449E-01
  0.4711043600 -5.355785E-01   5.987676E-01
  0.1456896500 -3.516243E-01  -1.089389E+00

Os (4sp3d) min-pbe min-pbe-q16 sv-pbe sv-pbe-q16
  2
  1  0  1  4  3  2
  3.1187215900  8.247987E-01  -2.598272E-01   1.906635E+00   3.478970E-01   5.143414E-01
  1.7011162000 -9.384277E-01   3.699254E-01  -4.332723E+00  -6.825708E-01  -1.389760E+00
  0.6281196700 -7.240004E-01   4.887434E-01   2.774220E+00  -6.262692E-01   1.285403E+00
  0.0991349600  3.469818E-03  -1.183435E+00  -6.542077E-01  -3.120606E-02  -1.090100E+00
  2  2  2  3  2
  1.3759032400 -3.334657E-01   1.245824E-01
  0.5169289700 -5.372441E-01   7.586387E-01
  0.1623292300 -3.362178E-01  -1.158730E+00

Ir (4sp3d) min-pbe min-pbe-q17 sv-pbe sv-pbe-q17
  2
  1  0  1  4  3  2
  3.2447603000  8.555498E-01  -2.517368E-01   1.863785E+00   3.514495E-01   5.351215E-01
  1.7842245700 -9.856108E-01   3.683077E-01  -4.314155E+00  -6.947484E-01  -1.440869E+00
  0.6647922200 -7.056619E-01   4.814161E-01   2.785019E+00  -6.190181E-01   1.313607E+00
  0.1044789900  2.973725E-03  -1.181232E+00  -6.548966E-01  -2.930746E-02  -1.085549E+00
  2  2  2  3  2
  1.4982771100 -3.292638E-01   1.009316E-01
  0.5735133400 -5.415682E-01   7.845667E-01
  0.1815905200 -3.301854E-01  -1.171826E+00

Pt (4sp3d) min-pbe min-pbe-q18 sv-pbe sv-pbe-q18
  2
  1  0  1  4  3  2
  2.6805625900  5.287017E+00   2.189596E+00  -1.613335E+01   2.259375E+00   5.151208E+00
  2.4000300500 -5.408276E+00  -2.335572E+00   1.852715E+01  -2.584561E+00  -6.220710E+00
  0.7261396000 -6.849646E-01  -4.088570E-01  -2.811133E+00  -6.454193E-01   1.431972E+00
  0.1094292400 -3.556724E-03   1.159192E+00   6.565971E-01  -2.664804E-02  -9.962266E-01
  2  2  2  3  2
  1.1854876900 -5.298958E-01   2.217679E-01
  0.4105192000 -4.749973E-01   5.157255E-01
  0.1371522200 -1.883169E-01  -1.167440E+00

Au (4sp3d) min-pbe min-pbe-q19 sv-pbe sv-pbe-q19
  2
  1  0  1  4  3  2
  2.8328527600  5.526346E+00  -2.206980E+00   1.653049E+01   2.314413E+00   5.265607E+00
  2.5447317100 -5.653578E+00   2.352771E+00  -1.892319E+01  -2.653408E+00  -6.341233E+00
  0.7701900700 -6.772047E-01   4.016746E-01   2.798555E+00  -6.359202E-01   1.430038E+00
  0.1140481900 -3.503429E-03  -1.154944E+00  -6.467081E-01  -2.540081E-02  -9.863300E-01
  2  2  2  3  2
  1.2470265300 -5.461160E-01   2.154722E-01
  0.4339041200 -4.667246E-01   5.091223E-01
  0.1460084300 -1.746601E-01  -1.172833E+00

Hg (4sp3d) min-pbe min-pbe-q12 sv-pbe sv-pbe-q12
  2
  1  0  1  4  2  1
  1.9361355000  1.474378E-01  -1.898397E-01  1.733534E-02
  0.9892017300 -4.931161E-01   6.436400E-01 -8.082138E-02
  0.1675195800  7.264529E-01  -2.125225E+00  2.635642E-01
  0.0593280800  4.771151E-01   1.850089E+00  8.067889E-01
  2  2  2  3  2
  1.4710362500 -4.747122E-01   7.417533E-02
  0.5630206200 -4.857324E-01   7.459885E-01
  0.1910074100 -2.226475E-01  -1.239361E+00

Tl (4sp3d) min-pbe min-pbe-q13 sv-pbe sv-pbe-q13
  2
  1  0  1  4  2  2
  1.5158591500  1.539939E+00  -1.513391E+00   3.340729E-01  -5.809166E-01
  1.3558663100 -1.891358E+00   1.851915E+00  -3.925714E-01   6.852873E-01
  0.1660322400  9.400822E-01  -1.707829E+00   4.850501E-01  -1.315371E+00
  0.0506121500  2.616644E-01   1.666307E+00   6.295506E-01   1.190382E+00
  2  2  2  3  2
  1.5294754800 -5.131876E-01  -1.406826E-01
  0.5982116200 -4.695842E-01   1.006066E+00
  0.2170743400 -1.788638E-01  -1.361095E+00

Pb (4sp3d) min-pbe min-pbe-q14 sv-pbe sv-pbe-q14
  2
  1  0  1  4  2  2
  1.6460530800  1.683961E+00  -1.574537E+00   3.396182E-01  -5.331158E-01
  1.4723329700 -2.061215E+00   1.926450E+00  -4.240852E-01   6.606152E-01
  0.1874312200  9.873251E-01  -1.742655E+00   5.620047E-01  -1.314703E+00
  0.0584074800  2.263902E-01   1.703482E+00   5.584848E-01   1.245786E+00
  2  2  2  3  2
  1.8413218800 -4.322917E-01  -2.291087E-01
  0.7831317400 -5.040545E-01   1.177162E+00
  0.2917527200 -2.146488E-01  -1.408383E+00

Bi (4sp3d) min-pbe min-pbe-q15 sv-pbe sv-pbe-q15
  2
  1  0  1  4  2  2
  1.7739890000  1.800233E+00  -1.691684E+00   3.609115E-01  -5.346647E-01
  1.5858553500 -2.203579E+00   2.072434E+00  -4.554886E-01   6.689586E-01
  0.2132741200  1.012987E+00  -1.824799E+00   6.035067E-01  -1.336718E+00
  0.0687960200  2.162185E-01   1.757959E+00   5.167185E-01   1.295226E+00
  2  2  2  3  2
  1.9869766000 -4.307853E-01  -2.556327E-01
  0.8707728000 -5.053544E-01   1.242145E+00
  0.3356417900 -2.038187E-01  -1.452507E+00

Po (3s3p) min-pbe min-pbe-q6
  3
  1  0  0  3  1
  0.6250991800 -3.842047E+00
  0.5498915900  3.930783E+00
  0.1463181000  7.505591E-01
  2  1  1  3  1
  1.1034082000 -9.741046E-02
  0.2409395100  6.378863E-01
  0.0787137800  4.864292E-01
  3  2  2  1  1
  0.2500000000  1.000000000

Po (3s3p) sv-pbe sv-pbe-q6
  3
  1  0  0  3  2
  0.6250991800 -3.842047E+00   1.192756E+01
  0.5498915900  3.930783E+00  -1.377463E+01
  0.1463181000  7.505591E-01   1.908794E+00
  2  1  1  3  2
  1.1034082000 -9.741046E-02   1.237590E-01
  0.2409395100  6.378863E-01  -1.340226E+00
  0.0787137800  4.864292E-01   1.317713E+00
  3  2  2  1  1
  0.2500000000  1.000000000

At (3s3p) min-pbe min-pbe-q7
  3
  1  0  0  3  1
  0.6477267100 -5.169620E+00
  0.5819367500  5.312715E+00
  0.1560509900  6.869875E-01
  2  1  1  3  1
  1.0948431900 -1.529446E-01
  0.2894822500  6.462958E-01
  0.0946053200  5.078024E-01
  3  2  2  1  1
  0.2500000000  1.000000000

At (3s3p) sv-pbe sv-pbe-q7
  3
  1  0  0  3  2
  0.6477267100 -5.169620E+00   1.499689E+01
  0.5819367500  5.312715E+00  -1.687140E+01
  0.1560509900  6.869875E-01   1.990342E+00
  2  1  1  3  2
  1.0948431900 -1.529446E-01   2.292364E-01
  0.2894822500  6.462958E-01  -1.444652E+00
  0.0946053200  5.078024E-01   1.335483E+00
  3  2  2  1  1
  0.2500000000  1.000000000

Rn (3s3p) min-pbe min-pbe-q8
  3
  1  0  0  3  1
  0.6913067700 -5.442919E+00
  0.6214403600  5.611550E+00
  0.1698753400  6.574221E-01
  2  1  1  3  1
  1.1417798400 -1.666300E-01
  0.3251461100  6.619896E-01
  0.1074717600  5.013081E-01
  3  2  2  1  1
  0.2500000000  1.000000000

Rn (3s3p) sv-pbe sv-pbe-q8
  3
  1  0  0  3  2
  0.6913067700 -5.442919E+00   1.519655E+01
  0.6214403600  5.611550E+00  -1.710963E+01
  0.1698753400  6.574221E-01   2.042581E+00
  2  1  1  3  2
  1.1417798400 -1.666300E-01   2.540108E-01
  0.3251461100  6.619896E-01  -1.484305E+00
  0.1074717600  5.013081E-01   1.356468E+00
  3  2  2  1  1
  0.2500000000  1.000000000




#
# Minimal and SV Basis sets for
# HGH Pseudopotentials optimized for SCAN
#
#  &METHOD
#     METHOD_TYPE  KOHN-SHAM
#     RELATIVISTIC DKH(3)
#     &XC
#       &XC_FUNCTIONAL
#         &LIBXC
#          FUNCTIONAL MGGA_X_SCAN
#         &END LIBXC
#         &LIBXC
#           FUNCTIONAL MGGA_C_SCAN
#         &END LIBXC
#       &END XC_FUNCTIONAL
#     &END XC
#  &END METHOD
#
#  &POTENTIAL
#    CONFINEMENT_TYPE  BARRIER
#    CONFINEMENT 200. 4.0 12.0 
#  &END POTENTIAL
#
#  &POWELL
#      WEIGHT_PSIR0 0.0
#      TARGET_POT_SEMICORE      [eV]      0.003000
#      TARGET_POT_VALENCE       [eV]      0.000300
#      TARGET_POT_VIRTUAL       [eV]      0.003000
#  &END
#
#   Pseudopotential form
#
#     Atom    Zcore   Zval    NC    NPS  NPP  NPD  NPF
#   1  H          0      1     2      0    0    0    0
#   2  He         0      2     2      0    0    0    0
#   3  Li         2      1     2      1    1    0    0
#   4  Be         2      2     2      1    1    0    0
#   5  B          2      3     2      1    0    0    0
#   6  C          2      4     2      1    0    0    0
#   7  N          2      5     2      1    0    0    0
#   8  O          2      6     2      1    0    0    0
#   9  F          2      7     2      1    0    0    0
#  10  Ne         2      8     3      2    1    0    0
#  11  Na         2      9     2      1    1    0    0
#  12  Mg         2     10     2      1    1    0    0
#  13  Al        10      3     1      2    1    0    0
#  14  Si        10      4     1      2    1    0    0
#  15  P         10      5     1      2    1    0    0
#  16  S         10      6     1      2    1    0    0
#  17  Cl        10      7     1      2    1    0    0
#  18  Ar        10      8     1      2    1    0    0
#  19  K         10      9     2      2    2    0    0
#  20  Ca        10     10     2      2    2    1    0
#  21  Sc        10     11     2      2    2    1    0
#  22  Ti        10     12     2      2    2    1    0
#  23  V         10     13     2      2    2    1    0
#  24  Cr        10     14     2      2    2    1    0
#  25  Mn        10     15     2      2    2    1    0
#  26  Fe        10     16     2      2    2    1    0
#  27  Co        10     17     2      2    2    1    0
#  28  Ni        10     18     2      2    2    1    0
#  29  Cu        10     19     2      2    2    1    0
#  30  Zn        10     20     2      2    2    1    0
#  31  Ga        18     13     0      3    2    1    0
#  32  Ge        28      4     0      3    2    1    0
#  33  As        28      5     0      3    2    1    0
#  34  Se        28      6     2      3    2    1    0
#  35  Br        28      7     1      3    2    1    0
#  36  Kr        28      8     0      3    2    1    0
#  37  Rb        28      9     2      2    2    1    0
#  38  Sr        28     10     2      2    2    1    0
#  39  Y         28     11     3      2    2    2    0
#  40  Zr        28     12     2      2    2    2    0
#  41  Nb        28     13     2      2    2    2    0
#  42  Mo        28     14     2      2    2    2    0
#  43  Tc        28     15     2      2    2    2    0
#  44  Ru        28     16     2      2    2    2    0
#  45  Rh        28     17     2      2    2    2    0
#  46  Pd        28     18     2      2    2    2    0
#  47  Ag        28     19     3      2    2    2    0
#  48  Cd        28     20     3      2    2    2    0
#  49  In        36     13     1      3    2    2    0
#  50  Sn        46      4     1      3    2    1    0
#  51  Sb        46      5     1      3    2    1    0
#  52  Te        46      6     1      3    2    1    0
#  53  I         46      7     1      3    2    1    0
#  54  Xe        46      8     1      3    2    1    0
#  55  Cs        46      9     2      2    2    1    1
#  56  Ba        46     10     2      2    2    1    1
#  57  La        46     11     3      2    2    1    1
#  58  Ce        46     12     2      2    2    1    1
#  59  Pr        46     13     2      2    2    1    1
#  60  Nd        46     14     2      2    2    1    1
#  61  Pm        46     15     2      2    2    1    1
#  62  Sm        46     16     2      2    2    1    1
#  63  Eu        46     17     2      2    2    1    1
#  64  Gd        46     18     2      2    2    1    1
#  65  Tb        46     19     2      2    2    1    1
#  66  Dy        46     20     2      2    2    1    1
#  67  Ho        46     21     2      2    2    1    1
#  68  Er        46     22     2      2    2    1    1
#  69  Tm        46     23     2      2    2    1    1
#  70  Yb        46     24     2      2    2    1    1
#  71  Lu        46     25     2      2    2    1    1
#  72  Hf        60     12     2      3    2    2    0
#  73  Ta        60     13     2      3    2    2    0
#  74  W         60     14     2      3    2    2    0
#  75  Re        60     15     2      3    2    2    0
#  76  Os        60     16     2      3    2    2    0
#  77  Ir        60     17     2      3    2    2    0
#  78  Pt        60     18     2      3    2    2    0
#  79  Au        60     19     2      3    3    2    0
#  80  Hg        68     12     1      2    2    2    0
#  81  Tl        68     13     1      2    2    2    0
#  82  Pb        68     14     1      2    2    2    0
#  83  Bi        68     15     1      2    2    2    0
#  84  Po        78      6     1      3    2    1    0
#  85  At        78      7     1      3    2    1    0
#  86  Rn        78      8     1      3    2    1    0
#
######################################################
#
#   BASIS SET Structure
#
#     Atom    Primitives   min-bas   sv-bas   pol-bas     
#   1  H      3s           1s        2s         
#   2  He     3s           1s        2s+      1p
#   3  Li     3s           1s+       2s+      1p     
#   4  Be     3s           1s+       2s+      1p
#   5  B      3s3p         1s1p      2s2p+    1d
#   6  C      3s3p         1s1p      2s2p+    1d
#   7  N      3s3p         1s1p      2s2p+    1d
#   8  O      3s3p         1s1p      2s2p+    1d
#   9  F      3s3p         1s1p      2s2p+    1d
#  10  Ne     3s3p         1s1p      2s2p+    1d
#  11  Na     6s3p         2s1p+     3s1p+    1p
#  12  Mg     6s3p         2s1p+     3s1p+    1p
#  13  Al     3s3p         1s1p+     2s2p+    1d
#  14  Si     3s3p         1s1p+     2s2p+    1d
#  15  P      3s3p         1s1p+     2s2p+    1d
#  16  S      3s3p         1s1p+     2s2p+    1d
#  17  Cl     3s3p         1s1p+     2s2p+    1d
#  18  Ar     3s3p         1s1p+     2s2p+    1d
#  19  K      5s3p         3s1p      3s2p
#  20  Ca     6s3p         3s1p      3s2p
#  21  Sc     5spd         3s1p2d    3s2p2d+  1p
#  22  Ti     5spd         3s1p2d    3s2p2d+  1p
#  23  V      5spd         3s1p2d    3s2p2d+  1p
#  24  Cr     5spd         3s1p2d    3s2p2d+  1p
#  25  Mn     5spd         3s1p2d    3s2p2d+  1p
#  26  Fe     5spd         3s1p2d    3s2p2d+  1p
#  27  Co     5spd         3s1p2d    3s2p2d+  1p
#  28  Ni     5spd         3s1p2d    3s2p2d+  1p
#  29  Cu     5spd         3s1p2d    3s2p2d+  1p
#  30  Zn     5spd         3s1p2d    3s2p2d+  1p
#  31  Ga     5spd         2s2p1d    2s2p2d
#  32  Ge     3s3p         1s1p+     2s2p+    1d
#  33  As     3s3p         1s1p+     2s2p+    1d
#  34  Se     3s3p         1s1p+     2s2p+    1d
#  35  Br     3s3p         1s1p+     2s2p+    1d
#  36  Kr     3s3p         1s1p+     2s2p+    1d
#  37  Rb     5s3p         3s1p      3s2p
#  38  Sr     6s3p         3s1p      3s2p
#  39  Y      4sp3d        3s2p2d    ----
#  40  Zr     4sp3d        3s2p2d    ----
#  41  Nb     4sp3d        3s2p2d    ----
#  42  Mo     4sp3d        3s2p2d    ----
#  43  Tc     4sp3d        3s2p2d    ----
#  44  Ru     4sp3d        3s2p2d    ----
#  45  Rh     4sp3d        3s2p2d    ----
#  46  Pd     4sp3d        3s2p2d    ----
#  47  Ag     4sp3d        3s2p2d    ----
#  48  Cd     4sp3d        3s2p2d    ----
#  49  In     4sp3d        2s2p2d    ----
#  50  Sn     3s3p         1s1p+     2s2p+    1d
#  51  Sb     3s3p         1s1p+     2s2p+    1d
#  52  Te     3s3p         1s1p+     2s2p+    1d
#  53  I      3s3p         1s1p+     2s2p+    1d
#  54  Xe     3s3p         1s1p+     2s2p+    1d
#  55  Cs     5s3p         3s1p      3s2p
#  56  Ba     6s3p         3s1p      3s2p
#  57  La     4sp4df       3s2p1d1f  3s2p2d2f
#  58  Ce     4sp4df       3s2p1d1f  3s2p2d2f
#  59  Pr     4sp4df       3s2p1d1f  3s2p2d2f
#  60  Nd     4sp4df       3s2p1d1f  3s2p2d2f
#  61  Pm     4sp4df       3s2p1d1f  3s2p2d2f
#  62  Sm     4sp4df       3s2p1d1f  3s2p2d2f
#  63  Eu     4sp4df       3s2p1d1f  3s2p2d2f
#  64  Gd     4sp4df       3s2p1d1f  3s2p2d2f
#  65  Tb     4sp4df       3s2p1d1f  3s2p2d2f
#  66  Dy     4sp4df       3s2p1d1f  3s2p2d2f
#  67  Ho     4sp4df       3s2p1d1f  3s2p2d2f
#  68  Er     4sp4df       3s2p1d1f  3s2p2d2f
#  69  Tm     4sp4df       3s2p1d1f  3s2p2d2f
#  70  Yb     4sp4df       3s2p1d1f  3s2p2d2f
#  71  Lu     4sp4df       3s2p1d1f  3s2p2d2f
#  72  Hf     4sp3d        3s2p2d    ---
#  73  Ta     4sp3d        3s2p2d    ---
#  74  W      4sp3d        3s2p2d    ---
#  75  Re     4sp3d        3s2p2d    ---
#  76  Os     4sp3d        3s2p2d    ---
#  77  Ir     4sp3d        3s2p2d    ---
#  78  Pt     4sp3d        3s2p2d    ---
#  79  Au     4sp3d        3s2p2d    ---
#  80  Hg     4sp3d        2s2p2d    ---
#  81  Tl     4sp3d        2s2p2d    ---
#  82  Pb     4sp3d        2s2p2d    ---
#  83  Bi     4sp3d        2s2p2d    ---
#  84  Po     3s3p         1s1p+     2s2p+    1d
#  85  At     3s3p         1s1p+     2s2p+    1d
#  86  Rn     3s3p         1s1p+     2s2p+    1d
#
######################################################
H (3s) min-scan min-scan-q1
  1
  1  0  0  3  1
  7.2025257000  3.583066E-02  
  1.3161676800  2.096946E-01 
  0.2372782900  8.463230E-01

H (3s) sv-scan sv-scan-q1
  1
  1  0  0  3  2
  7.2025257000  3.583066E-02  5.515292E-04
  1.3161676800  2.096946E-01 -1.240193E+00
  0.2372782900  8.463230E-01  9.449709E-01

He (3s) min-scan min-scan-q2
  1
  1  0  0  3  1
  8.0274084200  1.305359E-01 
  1.5024212300  4.519185E-01
  0.3191441900  5.719656E-01

He (3s) sv-scan sv-scan-q2
  2
  1  0  0  3  2
  8.0274084200  1.305359E-01 -1.356093E-01
  1.5024212300  4.519185E-01 -1.086971E+00
  0.3191441900  5.719656E-01  1.180989E+00
  2  1  1  1  1
   1.00000000      1.0000000

Li (3s) min-scan min-scan-q1
  2
  1  0  0  3  1
  0.7197284700 -1.271702E-01  
  0.0600221300  6.811137E-01 
  0.0228214600  3.935345E-01
  2  1  1  2  1
  0.4500000000   0.3710000000
  0.1000000000   1.0000000000

Li (3s) sv-scan sv-scan-q1
  2
  1  0  0  3  2
  0.7197284700 -1.271702E-01  1.262840E-01
  0.0600221300  6.811137E-01 -1.849773E+00
  0.0228214600  3.935345E-01  1.861771E+00
  2  1  1  2  1
  0.4500000000   0.3710000000
  0.1000000000   1.0000000000

Be (3s) min-scan min-scan-q2
  1
  1  0  0  3  1
  1.5229634000 -1.511183E-01 
  0.1639415700  5.969753E-01
  0.0566034400  4.999406E-01

Be (3s) sv-scan sv-scan-q2
  1
  1  0  0  3  2
  1.5229634000 -1.511183E-01  1.788160E-01
  0.1639415700  5.969753E-01 -1.780683E+00
  0.0566034400  4.999406E-01  1.705232E+00

B (3s3p) min-scan min-scan-q3
  2
  1  0  0  3  1
  2.8268766100 -1.433982E-01  
  0.2908815000  6.112876E-01 
  0.0950800900  4.867844E-01
  1  1  1  3  1
  2.0104963000  1.378338E-01
  0.4359350400  4.842462E-01
  0.1048957200  5.854476E-01

B (3s3p) sv-scan sv-scan-q3
  3
  1  0  0  3  2
  2.8268766100 -1.433982E-01  1.663862E-01
  0.2908815000  6.112876E-01 -1.689078E+00
  0.0950800900  4.867844E-01  1.633464E+00
  1  1  1  3  2
  2.0104963000  1.378338E-01 -1.381508E-01
  0.4359350400  4.842462E-01 -9.524707E-01
  0.1048957200  5.854476E-01  1.034537E+00
  3  2  2  1  1
  0.500000000  1.000000000

C (3s3p) min-scan min-scan-q4
  2
  1  0  0  3  1
  4.3732388500 -1.462326E-01
  0.4572373600  6.134435E-01
  0.1450031600  4.885169E-01
  1  1  1  3  1
  3.1461262300  1.504309E-01
  0.7047965500  4.890575E-01
  0.1647181500  5.766257E-01

C (3s3p) sv-scan sv-scan-q4
  3
  1  0  0  3  2
  4.3732388500 -1.462326E-01  1.701838E-01
  0.4572373600  6.134435E-01 -1.654564E+00
  0.1450031600  4.885169E-01  1.597529E+00
  1  1  1  3  2
  3.1461262300  1.504309E-01 -1.598224E-01
  0.7047965500  4.890575E-01 -9.112835E-01
  0.1647181500  5.766257E-01  1.021865E+00
  3  2  2  1  1
  0.800000000  1.000000000

N (3s3p) min-scan min-scan-q5
  2
  1  0  0  3  1
  6.2770321100 -1.463820E-01 
  0.6582966100  6.121496E-01
  0.2047529400  4.916395E-01
  1  1  1  3  1
  4.4977376700  1.607594E-01 
  1.0244020700  4.946740E-01
  0.2355803700  5.665687E-01

N (3s3p) sv-scan sv-scan-q5
  3
  1  0  0  3  2
  6.2770321100 -1.463820E-01  1.713916E-01
  0.6582966100  6.121496E-01 -1.632809E+00
  0.2047529400  4.916395E-01  1.574508E+00
  1  1  1  3  2
  4.4977376700  1.607594E-01 -1.703482E-01
  1.0244020700  4.946740E-01 -8.860430E-01
  0.2355803700  5.665687E-01  1.018597E+00
  3  2  2  1  1
  1.000000000  1.000000000

O (3s3p) min-scan min-scan-q6
  2
  1  0  0  3  1
  8.4121601200 -1.475072E-01  
  0.8944282900  6.080836E-01 
  0.2743575900  4.976712E-01
  1  1  1  3  1
  6.1632466400  1.645497E-01 
  1.4098167800  4.978620E-01
  0.3198044900  5.628938E-01

O (3s3p) sv-scan sv-scan-q6
  3
  1  0  0  3  2
  8.4121601200 -1.475072E-01  1.750173E-01
  0.8944282900  6.080836E-01 -1.621555E+00
  0.2743575900  4.976712E-01  1.558021E+00
  1  1  1  3  2
  6.1632466400  1.645497E-01 -1.725933E-01
  1.4098167800  4.978620E-01 -8.746956E-01
  0.3198044900  5.628938E-01  1.014920E+00
  3  2  2  1  1
  1.200000000  1.000000000

F (3s3p) min-scan min-scan-q7
  2
  1  0  0  3  1
 10.9249479300 -1.467143E-01 
  1.1685085400  6.031752E-01
  0.3532569200  5.038300E-01
  1  1  1  3  1
  7.9627590100  1.703652E-01 
  1.8393314200  5.001426E-01
  0.4140935600  5.576381E-01

F (3s3p) sv-scan sv-scan-q7
  3
  1  0  0  3  2
 10.9249479300 -1.467143E-01  1.757868E-01
  1.1685085400  6.031752E-01 -1.607774E+00
  0.3532569200  5.038300E-01  1.540418E+00
  1  1  1  3  2
  7.9627590100  1.703652E-01 -1.754386E-01
  1.8393314200  5.001426E-01 -8.639025E-01
  0.4140935600  5.576381E-01  1.014489E+00
  3  2  2  1  1
  1.400000000  1.000000000

Ne (3s3p) min-scan min-scan-q8
  2
  1  0  0  3  1
 13.8975237900 -1.459850E-01  
  1.4764608100  6.001347E-01 
  0.4401361100  5.076537E-01
  1  1  1  3  1
 10.1516615300  1.737326E-01 
  2.3483093000  5.006177E-01
  0.5235892300  5.565001E-01

Ne (3s3p) sv-scan sv-scan-q8
  3
  1  0  0  3  2
 13.8975237900 -1.459850E-01  1.747989E-01
  1.4764608100  6.001347E-01 -1.592184E+00
  0.4401361100  5.076537E-01  1.523837E+00
  1  1  1  3  2
 10.1516615300  1.737326E-01 -1.768257E-01
  2.3483093000  5.006177E-01 -8.570031E-01
  0.5235892300  5.565001E-01  1.011498E+00
  3  2  2  1  1
  1.880000000  1.000000000

Na (5s3p) min-scan min-scan-q9
  3
  1  0  0  5  2
 15.9285999800  1.567274E-01  2.712246E-02 
  2.0891983900 -4.897084E-01 -1.035528E-01
  0.3452165200 -1.244321E-01 -8.429839E-02 
  0.8093583900 -5.008676E-01 -1.329400E-01
  0.0420255800 -1.697454E-03  1.055292E+00 
  1  1  1  3  1
 12.9138994000  1.798159E-01 
  3.1319415500  5.023053E-01
  0.7625497400  5.344313E-01
  3  1  1  1  1
  0.0520000000  1.0000000

Na (5s3p) sv-scan sv-scan-q9
  3
  1  0  0  5  3
 15.9285999800  1.567274E-01  2.712246E-02 -6.846227E-02
  2.0891983900 -4.897084E-01 -1.035528E-01  5.843351E-02
  0.3452165200 -1.244321E-01 -8.429839E-02 -2.402629E+00
  0.8093583900 -5.008676E-01 -1.329400E-01  1.807537E+00
  0.0420255800 -1.697454E-03  1.055292E+00  6.287657E-01
  1  1  1  3  1
 12.9138994000  1.798159E-01 
  3.1319415500  5.023053E-01
  0.7625497400  5.344313E-01
  3  1  1  1  1
  0.0520000000  1.0000000

Mg (6s3p) min-scan min-scan-q10
  3
  1  0  0  6  2
 19.5529161100  1.698984E-01  3.744080E-02 
  2.5886270500 -4.978138E-01 -1.387211E-01
  1.0280025500 -5.113477E-01 -1.838017E-01  
  0.4357240200 -1.039308E-01 -1.310959E-01 
  0.1284077900 -4.535805E-03  5.399471E-01
  0.0476219900  1.106302E-03  6.194156E-01 
  1  1  1  3  1
 16.6558629200  1.707714E-01 
  4.1666789600  5.021970E-01
  1.0596252400  5.316646E-01
  3  1  1  1  1
  0.18914796195      1.0000000000

Mg (6s3p) sv-scan sv-scan-q10
  3
  1  0  0  6  3
 19.5529161100  1.698984E-01  3.744080E-02 -4.203196E-02
  2.5886270500 -4.978138E-01 -1.387211E-01  1.869328E-01
  1.0280025500 -5.113477E-01 -1.838017E-01  9.036943E-02
  0.4357240200 -1.039308E-01 -1.310959E-01  4.426019E-01
  0.1284077900 -4.535805E-03  5.399471E-01 -2.345428E+00
  0.0476219900  1.106302E-03  6.194156E-01  1.924861E+00
  1  1  1  3  2
 16.6558629200  1.707714E-01 -1.781518E-01
  4.1666789600  5.021970E-01 -8.995942E-01
  1.0596252400  5.316646E-01  1.075483E+00
  3  1  1  1  1
  0.18914796195      1.0000000000

Al (3s3p) min-scan min-scan-q3
  3
  1  0  0  3  1
  1.0027047500 -2.263566E-01  
  0.1686142700  6.814025E-01 
  0.0622812300  4.584368E-01
  1  1  1  3  1
  0.2951069200  1.050391E-01  
  0.1686142700  4.624095E-01 
  0.0531483100  5.451328E-01
  3  2  2  1  1
  0.30000000000      1.0000000000

Al (3s3p) sv-scan sv-scan-q3
  3
  1  0  0  3  2
  1.0027047500 -2.263566E-01  2.854823E-01
  0.1686142700  6.814025E-01 -2.013361E+00
  0.0622812300  4.584368E-01  1.866859E+00
  1  1  1  3  2
  0.2951069200  1.050391E-01  7.968294E-02
  0.1686142700  4.624095E-01 -1.311366E+00
  0.0531483100  5.451328E-01  1.276279E+00
  3  2  2  1  1
  0.30000000000      1.0000000000

Si (3s3p) min-scan min-scan-q4
  3
  1  0  0  3  1
  1.2765621000 -2.656411E-01  
  0.2458382600  6.714844E-01 
  0.0905859400  4.926843E-01
  1  1  1  3  1
  0.3169746500  4.117179E-01 
  0.1226213000  4.701200E-01
  0.0500768000  2.417599E-01
  3  2  2  1  1
  0.35000000000      1.0000000000

Si (3s3p) sv-scan sv-scan-q4
  3
  1  0  0  3  2
  1.2765621000 -2.656411E-01  3.585324E-01
  0.2458382600  6.714844E-01 -2.103457E+00
  0.0905859400  4.926843E-01  1.881063E+00
  1  1  1  3  2
  0.3169746500  4.117179E-01 -4.836048E-01
  0.1226213000  4.701200E-01 -5.932817E-01
  0.0500768000  2.417599E-01  1.290669E+00
  3  2  2  1  1
  0.35000000000      1.0000000000

P (3s3p) min-scan min-scan-q5
  3
  1  0  0  3  1
  1.5615999400 -2.944546E-01 
  0.3314701700  6.764635E-01
  0.1208495900  5.082433E-01 
  1  1  1  3  1
  0.4024574300 -4.707941E-01
  0.1437132300 -4.960192E-01  
  0.0540251600 -1.579919E-01 
  3  2  2  1  1
  0.45000000000      1.0000000000

P (3s3p) sv-scan sv-scan-q5
  3
  1  0  0  3  2
  1.5615999400 -2.944546E-01 -3.564568E-01
  0.3314701700  6.764635E-01  2.111984E+00
  0.1208495900  5.082433E-01 -1.858496E+00
  1  1  1  3  2
  0.4024574300 -4.707941E-01  5.467368E-01
  0.1437132300 -4.960192E-01  3.184658E-01
  0.0540251600 -1.579919E-01 -1.146414E+00
  3  2  2  1  1
  0.45000000000      1.0000000000

S (3s3p) min-scan min-scan-q6
  3
  1  0  0  3  1
  1.8845610000 -3.090208E-01 
  0.4271357600  6.794911E-01
  0.1539380000  5.185059E-01
  1  1  1  3  1
  0.5154730200 -4.892551E-01  
  0.1813368900 -4.936509E-01 
  0.0662307700 -1.421753E-01
  3  2  2  1  1
  0.55000000000      1.0000000000

S (3s3p) sv-scan sv-scan-q6
  3
  1  0  0  3  2
  1.8845610000 -3.090208E-01 -3.875895E-01
  0.4271357600  6.794911E-01  2.135734E+00
  0.1539380000  5.185059E-01 -1.848549E+00
  1  1  1  3  2
  0.5154730200 -4.892551E-01  5.482611E-01
  0.1813368900 -4.936509E-01  2.671018E-01
  0.0662307700 -1.421753E-01 -1.119123E+00
  3  2  2  1  1
  0.55000000000      1.0000000000

Cl (3s3p) min-scan min-scan-q7
  3
  1  0  0  3  1
  2.2369881100 -3.236866E-01  
  0.5322619100  6.831393E-01 
  0.1896260900  5.269019E-01
  1  1  1  3  1
  0.6380316100 -5.032539E-01  
  0.2231885400 -4.863650E-01 
  0.0810112400 -1.352427E-01
  3  2  2  1  1
  0.65000000000      1.0000000000

Cl (3s3p) sv-scan sv-scan-q7
  3
  1  0  0  3  2
  2.2369881100 -3.236866E-01  4.776749E-01
  0.5322619100  6.831393E-01 -2.203090E+00
  0.1896260900  5.269019E-01  1.859511E+00
  1  1  1  3  2
  0.6380316100 -5.032539E-01  5.462853E-01
  0.2231885400 -4.863650E-01  2.499187E-01
  0.0810112400 -1.352427E-01 -1.112699E+00
  3  2  2  1  1
  0.65000000000      1.0000000000

Ar (3s3p) min-scan min-scan-q8
  3
  1  0  0  3  1
  2.6045423400 -3.356736E-01  
  0.6458533600  6.881124E-01 
  0.2275913100  5.325709E-01
  1  1  1  3  1
  0.7686973400 -5.158517E-01  
  0.2673378100 -4.797136E-01 
  0.0964575700 -1.290730E-01
  3  2  2  1  1
  0.69600000000      1.0000000000

Ar (3s3p) sv-scan sv-scan-q8
  3
  1  0  0  3  2
  2.6045423400 -3.356736E-01  5.024384E-01
  0.6458533600  6.881124E-01 -2.218153E+00
  0.2275913100  5.325709E-01  1.848658E+00
  1  1  1  3  2
  0.7686973400 -5.158517E-01  5.457920E-01
  0.2673378100 -4.797136E-01  2.319744E-01
  0.0964575700 -1.290730E-01 -1.105318E+00
  3  2  2  1  1
  0.69600000000      1.0000000000

K (5s3p) min-scan min-scan-q9
  2
  1  0  0  5  3
  4.6535062400 -7.309305E-01 -1.275897E-01  1.299993E+00
  4.1622024000  1.048528E+00  2.036578E-01 -1.705686E+00
  0.6656647200 -8.055474E-01 -2.492990E-01  2.341281E+00
  0.2484954300 -3.849693E-01 -2.959179E-01 -2.418842E+00
  0.0377189500 -5.373759E-04  1.135500E+00  6.470521E-01
  1  1  1  3  1
  0.9186555700 -5.584171E-01  
  0.3306821700 -4.658092E-01 
  0.1135372700 -8.316367E-02

K (5s3p) sv-scan sv-scan-q9
  2
  1  0  0  5  3
  4.6535062400 -7.309305E-01 -1.275897E-01  1.299993E+00
  4.1622024000  1.048528E+00  2.036578E-01 -1.705686E+00
  0.6656647200 -8.055474E-01 -2.492990E-01  2.341281E+00
  0.2484954300 -3.849693E-01 -2.959179E-01 -2.418842E+00
  0.0377189500 -5.373759E-04  1.135500E+00  6.470521E-01
  1  1  1  3  2
  0.9186555700 -5.584171E-01  4.099028E-02
  0.3306821700 -4.658092E-01  8.358260E-01
  0.1135372700 -8.316367E-02 -1.392864E+00

Ca (6s3p) min-scan min-scan-q10
  2
  1  0  0  6  3
 6.7102372500 -1.125526E-01 -1.956094E-02  3.801842E-03
 4.0497749000  4.612549E-01  1.163085E-01 -1.088673E-01
 0.8868137800 -6.998228E-01 -2.632627E-01  2.084147E-01
 0.3776402700 -5.037951E-01 -3.150476E-01  9.548297E-01
 0.0985584100 -2.209795E-02  1.460496E-01 -3.201187E+00
 0.0443062800  3.060963E-03  9.919854E-01  2.382442E+00
  1  1  1  3  1
 6.4300598200 -3.553013E-02  
 1.1595173800  5.922552E-01 
 0.3804217900  5.067602E-01

Ca (6s3p) sv-scan sv-scan-q10
  2
  1  0  0  6  3
 6.7102372500 -1.125526E-01 -1.956094E-02  3.801842E-03
 4.0497749000  4.612549E-01  1.163085E-01 -1.088673E-01
 0.8868137800 -6.998228E-01 -2.632627E-01  2.084147E-01
 0.3776402700 -5.037951E-01 -3.150476E-01  9.548297E-01
 0.0985584100 -2.209795E-02  1.460496E-01 -3.201187E+00
 0.0443062800  3.060963E-03  9.919854E-01  2.382442E+00
  1  1  1  3  2
 6.4300598200 -3.553013E-02  4.292302E-02
 1.1595173800  5.922552E-01 -1.287275E+00
 0.3804217900  5.067602E-01  1.295735E+00

Sc (5spd) min-scan min-scan-q11
  1
  1  0  2  5  3 1 2
  7.0217401400  4.784173E-02  1.353821E-02  7.649899E-02  1.165609E-01 -5.243845E-02  3.501299E-02
  3.0967430200  4.091247E-01  1.183845E-01 -7.772819E-01 -1.522655E-01 -2.123310E-01  1.405818E-01
  1.0760457600 -8.905111E-01 -3.569554E-01  2.629697E+00 -6.492521E-01 -3.701055E-01  2.753219E-01
  0.3645325800 -4.441605E-01 -2.969274E-01 -2.430310E+00 -3.604259E-01 -4.709796E-01  1.700711E-01
  0.0625161700  5.376139E-03  1.149773E+00  7.385342E-01 -9.269904E-03 -3.269552E-01 -9.367478E-01

Sc (5spd) sv-scan sv-scan-q11
  2
  1  0  2  5  3 2 2
  7.0217401400  4.784173E-02  1.353821E-02  7.649899E-02  1.165609E-01 -8.046480E-02 -5.243845E-02  3.501299E-02
  3.0967430200  4.091247E-01  1.183845E-01 -7.772819E-01 -1.522655E-01  8.522704E-02 -2.123310E-01  1.405818E-01
  1.0760457600 -8.905111E-01 -3.569554E-01  2.629697E+00 -6.492521E-01  9.947681E-01 -3.701055E-01  2.753219E-01
  0.3645325800 -4.441605E-01 -2.969274E-01 -2.430310E+00 -3.604259E-01 -1.058465E+00 -4.709796E-01  1.700711E-01
  0.0625161700  5.376139E-03  1.149773E+00  7.385342E-01 -9.269904E-03 -3.568913E-01 -3.269552E-01 -9.367478E-01
  3  1  1  1  1
  0.089748    1.000000

Ti (5spd) min-scan min-scan-q12
  1
  1  0  2  5  3 1 2
  6.7990346100  1.101709E-01  2.985374E-02  3.782689E-02  1.401714E-01 -8.445090E-02  5.174573E-02
  3.0969351700  3.356807E-01  1.039686E-01 -6.806200E-01 -2.186671E-01 -2.318032E-01  1.420123E-01
  1.1087612800 -9.836086E-01 -4.175887E-01  2.478373E+00 -6.727481E-01 -4.070594E-01  2.781743E-01
  0.3621561100 -3.406435E-01 -2.391836E-01 -2.483044E+00 -2.975998E-01 -4.449508E-01  6.459100E-02
  0.0710290900  7.752619E-03  1.152301E+00  8.687567E-01  5.538587E-05 -2.402383E-01 -9.412984E-01

Ti (5spd) sv-scan sv-scan-q12
  2
  1  0  2  5  3 2 2
  6.7990346100  1.101709E-01  2.985374E-02  3.782689E-02  1.401714E-01 -1.037918E-01 -8.445090E-02  5.174573E-02
  3.0969351700  3.356807E-01  1.039686E-01 -6.806200E-01 -2.186671E-01  1.809999E-01 -2.318032E-01  1.420123E-01
  1.1087612800 -9.836086E-01 -4.175887E-01  2.478373E+00 -6.727481E-01  8.887471E-01 -4.070594E-01  2.781743E-01
  0.3621561100 -3.406435E-01 -2.391836E-01 -2.483044E+00 -2.975998E-01 -1.107708E+00 -4.449508E-01  6.459100E-02
  0.0710290900  7.752619E-03  1.152301E+00  8.687567E-01  5.538587E-05 -2.534845E-01 -2.402383E-01 -9.412984E-01
  3  1  1  1  1
  0.101561    1.000000

V (5spd) min-scan min-scan-q13
  1
  1  0  2  5  3 1 2
  6.7678486000  1.743169E-01  4.361941E-02  9.592553E-03  1.507730E-01 -1.073130E-01  6.226972E-02
  3.1260543300  2.334040E-01  7.546936E-02 -5.621589E-01 -2.879183E-01 -2.572441E-01  1.496643E-01
  1.1447971600 -1.018838E+00 -4.484195E-01  2.321522E+00 -6.682015E-01 -4.227818E-01  2.740794E-01
  0.3675268300 -2.673438E-01 -1.773614E-01 -2.499629E+00 -2.494179E-01 -4.177479E-01 -2.692993E-02
  0.0770374300  7.124704E-03  1.139407E+00  9.534486E-01  4.666975E-03 -1.851074E-01 -9.256283E-01

V (5spd) sv-scan sv-scan-q13
  2
  1  0  2  5  3 2 2
  6.7678486000  1.743169E-01  4.361941E-02  9.592553E-03  1.507730E-01 -1.136698E-01 -1.073130E-01  6.226972E-02
  3.1260543300  2.334040E-01  7.546936E-02 -5.621589E-01 -2.879183E-01  2.728022E-01 -2.572441E-01  1.496643E-01
  1.1447971600 -1.018838E+00 -4.484195E-01  2.321522E+00 -6.682015E-01  7.723374E-01 -4.227818E-01  2.740794E-01
  0.3675268300 -2.673438E-01 -1.773614E-01 -2.499629E+00 -2.494179E-01 -1.137745E+00 -4.177479E-01 -2.692993E-02
  0.0770374300  7.124704E-03  1.139407E+00  9.534486E-01  4.666975E-03 -1.764803E-01 -1.851074E-01 -9.256283E-01
  3  1  1  1  1
  0.111248    1.000000

Cr (5spd) min-scan min-scan-q14
  1
  1  0  2  5  3 1 2
  6.8693950400 -2.429614E-01  6.083239E-02 -4.295122E-04 -1.194008E-01 -1.691503E-01  6.300614E-02
  2.7842249600 -1.376372E-01  4.553121E-02 -6.457930E-01  3.208481E-01 -2.658721E-01  5.960080E-02
  1.1543575400  1.050698E+00 -4.792470E-01  2.450416E+00  6.399088E-01 -4.000612E-01  2.084796E-01
  0.3776148200  1.969185E-01 -1.065278E-01 -2.626300E+00  2.138994E-01 -3.987118E-01  1.097320E-01
  0.0813741300 -1.564654E-03  1.117003E+00  1.030191E+00 -5.912032E-03 -1.502727E-01 -9.998356E-01

Cr (5spd) sv-scan sv-scan-q14
  2
  1  0  2  5  3 2 2
  6.8693950400 -2.429614E-01  6.083239E-02 -4.295122E-04 -1.194008E-01 -4.460393E-01 -1.691503E-01  6.300614E-02
  2.7842249600 -1.376372E-01  4.553121E-02 -6.457930E-01  3.208481E-01  2.094575E+00 -2.658721E-01  5.960080E-02
  1.1543575400  1.050698E+00 -4.792470E-01  2.450416E+00  6.399088E-01 -1.741662E+00 -4.000612E-01  2.084796E-01
  0.3776148200  1.969185E-01 -1.065278E-01 -2.626300E+00  2.138994E-01  1.628793E-01 -3.987118E-01  1.097320E-01
  0.0813741300 -1.564654E-03  1.117003E+00  1.030191E+00 -5.912032E-03  4.560603E-01 -1.502727E-01 -9.998356E-01
  3  1  1  1  1
  0.120675    1.000000

Mn (5spd) min-scan min-scan-q15
  1
  1  0  2  5  3 1 2
  7.2717126100 -2.856250E-01  6.794794E-02 -8.955997E-03  1.038645E-01 -1.766755E-01  6.134014E-02
  3.0983703000 -8.283184E-03  1.360780E-02 -5.180391E-01 -3.818243E-01 -2.951828E-01  5.127966E-02
  1.2143281300  1.003492E+00 -4.715897E-01  2.239699E+00 -6.157849E-01 -4.132425E-01  2.243120E-01
  0.3910112300  1.634547E-01 -5.985053E-02 -2.575775E+00 -1.799819E-01 -3.668231E-01  4.636282E-02
  0.0859084800 -1.933412E-03  1.097798E+00  1.062777E+00  6.754876E-03 -1.225049E-01 -9.882230E-01

Mn (5spd) sv-scan sv-scan-q15
  2
  1  0  2  5  3 2 2
  7.2717126100 -2.856250E-01  6.794794E-02 -8.955997E-03  1.038645E-01  4.526391E-02 -1.766755E-01  6.134014E-02
  3.0983703000 -8.283184E-03  1.360780E-02 -5.180391E-01 -3.818243E-01 -1.627567E-01 -2.951828E-01  5.127966E-02
  1.2143281300  1.003492E+00 -4.715897E-01  2.239699E+00 -6.157849E-01  6.598481E-01 -4.132425E-01  2.243120E-01
  0.3910112300  1.634547E-01 -5.985053E-02 -2.575775E+00 -1.799819E-01 -5.341035E-01 -3.668231E-01  4.636282E-02
  0.0859084800 -1.933412E-03  1.097798E+00  1.062777E+00  6.754876E-03 -7.592494E-01 -1.225049E-01 -9.882230E-01
  3  1  1  1  1
  0.127650    1.000000

Fe (5spd) min-scan min-scan-q16
  1
  1  0  2  5  3 1 2
  7.4903936500 -3.447590E-01  7.958504E-02 -2.543119E-02 -7.327782E-02 -1.918503E-01  6.395341E-02
  3.2491615700  1.448337E-01 -2.280631E-02 -4.207193E-01  4.341204E-01 -3.181770E-01  4.065381E-02
  1.2464809000  9.465219E-01 -4.653638E-01  2.088084E+00  5.810665E-01 -4.150786E-01  2.494296E-01
  0.3987126100  1.290162E-01 -6.776868E-03 -2.554700E+00  1.474790E-01 -3.387750E-01 -2.693477E-02
  0.0893187900 -1.582016E-03  1.074808E+00  1.103208E+00 -6.752271E-03 -1.008013E-01 -9.676829E-01

Fe (5spd) sv-scan sv-scan-q16
  1
  1  0  2  5  3 2 2
  7.4903936500 -3.447590E-01  7.958504E-02 -2.543119E-02 -7.327782E-02 -4.160029E-01 -1.918503E-01  6.395341E-02
  3.2491615700  1.448337E-01 -2.280631E-02 -4.207193E-01  4.341204E-01  2.194293E+00 -3.181770E-01  4.065381E-02
  1.2464809000  9.465219E-01 -4.653638E-01  2.088084E+00  5.810665E-01 -2.220639E+00 -4.150786E-01  2.494296E-01
  0.3987126100  1.290162E-01 -6.776868E-03 -2.554700E+00  1.474790E-01  8.128659E-01 -3.387750E-01 -2.693477E-02
  0.0893187900 -1.582016E-03  1.074808E+00  1.103208E+00 -6.752271E-03 -1.526421E-01 -1.008013E-01 -9.676829E-01
  3  1  1  1  1
  0.134915    1.000000

Co (5spd) min-scan min-scan-q17
  1
  1  0  2  5  3 1 2
  7.3895085200  4.095022E-01 -8.699556E-02  3.502573E-02 -1.978367E-02 -2.322858E-01  7.049383E-02
  3.0665415400 -3.744181E-01  8.675706E-02  2.892425E-01  4.914872E-01 -3.482802E-01  3.229118E-02
  1.1884286000 -8.342197E-01  4.500174E-01 -1.908250E+00  5.235424E-01 -3.938729E-01  2.758711E-01
  0.3869544600 -7.978544E-02 -8.487832E-02  2.567605E+00  1.034418E-01 -3.024452E-01 -1.209692E-01
  0.0896454500 -1.853718E-04 -1.032061E+00 -1.181829E+00 -4.875762E-03 -7.757496E-02 -9.352323E-01

Co (5spd) sv-scan sv-scan-q17
  2
  1  0  2  5  3 2 2
  7.3895085200  4.095022E-01 -8.699556E-02  3.502573E-02 -1.978367E-02  2.022230E-01 -2.322858E-01  7.049383E-02
  3.0665415400 -3.744181E-01  8.675706E-02  2.892425E-01  4.914872E-01 -1.042780E+00 -3.482802E-01  3.229118E-02
  1.1884286000 -8.342197E-01  4.500174E-01 -1.908250E+00  5.235424E-01  1.938527E+00 -3.938729E-01  2.758711E-01
  0.3869544600 -7.978544E-02 -8.487832E-02  2.567605E+00  1.034418E-01 -1.936240E+00 -3.024452E-01 -1.209692E-01
  0.0896454500 -1.853718E-04 -1.032061E+00 -1.181829E+00 -4.875762E-03  8.525137E-01 -7.757496E-02 -9.352323E-01
  3  1  1  1  1
  0.141308    1.000000

Ni (5spd) min-scan min-scan-q18
  1
  1  0  2  5  3 1 2
  9.0433026000  3.485807E-01  6.903569E-02 -1.175639E-03  1.146140E-01 -1.588738E-01  4.805315E-02
  4.3084168700 -1.131967E-01 -8.417986E-03 -4.137147E-01 -4.497181E-01 -3.370427E-01  3.688816E-02
  1.5720320700 -9.585250E-01 -4.416257E-01  2.026819E+00 -5.948446E-01 -4.305328E-01  2.080855E-01
  0.4914996600 -1.541942E-01 -4.168262E-02 -2.449998E+00 -1.561034E-01 -3.322621E-01  2.825818E-02
  0.1053685100  4.198406E-03  1.083600E+00  1.032918E+00  7.137659E-03 -9.635297E-02 -9.910801E-01

Ni (5spd) sv-scan sv-scan-q18
  2
  1  0  2  5  3 2 2
  9.0433026000  3.485807E-01  6.903569E-02 -1.175639E-03  1.146140E-01  4.740709E-01 -1.588738E-01  4.805315E-02
  4.3084168700 -1.131967E-01 -8.417986E-03 -4.137147E-01 -4.497181E-01 -1.953889E+00 -3.370427E-01  3.688816E-02
  1.5720320700 -9.585250E-01 -4.416257E-01  2.026819E+00 -5.948446E-01  1.502613E+00 -4.305328E-01  2.080855E-01
  0.4914996600 -1.541942E-01 -4.168262E-02 -2.449998E+00 -1.561034E-01 -4.408216E-02 -3.322621E-01  2.825818E-02
  0.1053685100  4.198406E-03  1.083600E+00  1.032918E+00  7.137659E-03 -3.541118E-01 -9.635297E-02 -9.910801E-01
  3  1  1  1  1
  0.146588    1.000000

Cu (5spd) min-scan min-scan-q19
  1
  1  0  2  5  3 1 2
  9.4948336400  3.700497E-01  6.708620E-02  9.535431E-03 -1.323000E-01 -1.486931E-01  4.342634E-02
  4.6588787500 -1.451934E-01 -1.268816E-02 -4.023295E-01  4.730391E-01 -3.489097E-01  3.442137E-02
  1.6880211300 -9.522827E-01 -4.335534E-01  1.994625E+00  5.906468E-01 -4.316074E-01  1.947877E-01
  0.5263084600 -1.496919E-01 -3.949027E-02 -2.428479E+00  1.510350E-01 -3.267658E-01  4.269264E-02
  0.1119245600  4.229304E-03  1.081279E+00  1.024145E+00 -7.090785E-03 -9.219872E-02 -9.975807E-01

Cu (5spd) sv-scan sv-scan-q19
  2
  1  0  2  5  3 2 2
  9.4948336400  3.700497E-01  6.708620E-02  9.535431E-03 -1.323000E-01 -4.715599E-01 -1.486931E-01  4.342634E-02
  4.6588787500 -1.451934E-01 -1.268816E-02 -4.023295E-01  4.730391E-01  1.844384E+00 -3.489097E-01  3.442137E-02
  1.6880211300 -9.522827E-01 -4.335534E-01  1.994625E+00  5.906468E-01 -1.306952E+00 -4.316074E-01  1.947877E-01
  0.5263084600 -1.496919E-01 -3.949027E-02 -2.428479E+00  1.510350E-01 -1.332053E-01 -3.267658E-01  4.269264E-02
  0.1119245600  4.229304E-03  1.081279E+00  1.024145E+00 -7.090785E-03  4.645716E-01 -9.219872E-02 -9.975807E-01
  3  1  1  1  1
  0.155065    1.000000

Zn (5spd) min-scan min-scan-q20
  1
  1  0  2  5  3 1 2
  8.8439254500  4.779869E-01  9.004689E-02 -1.365378E-01  1.051639E-02 -2.451426E-01  7.378186E-02
  3.8208886500 -5.385383E-01 -1.132657E-01  7.801351E-01 -5.255426E-01 -3.716534E-01  4.015171E-03
  1.4382806400 -7.494995E-01 -4.185577E-01 -2.282641E+00 -5.031827E-01 -3.902755E-01  3.397395E-01
  0.4624525500 -7.158250E-02  1.119510E-01  2.695578E+00 -8.108315E-02 -2.720934E-01 -2.542742E-01
  0.1051905800  1.987079E-03  1.012942E+00 -1.208703E+00  3.381260E-03 -6.250887E-02 -8.786238E-01

Zn (5spd) sv-scan sv-scan-q20
  2
  1  0  2  5  3 2 2
  8.8439254500  4.779869E-01  9.004689E-02 -1.365378E-01  1.051639E-02  2.331304E-01 -2.451426E-01  7.378186E-02
  3.8208886500 -5.385383E-01 -1.132657E-01  7.801351E-01 -5.255426E-01 -1.907002E+00 -3.716534E-01  4.015171E-03
  1.4382806400 -7.494995E-01 -4.185577E-01 -2.282641E+00 -5.031827E-01  2.268566E+00 -3.902755E-01  3.397395E-01
  0.4624525500 -7.158250E-02  1.119510E-01  2.695578E+00 -8.108315E-02 -1.009999E+00 -2.720934E-01 -2.542742E-01
  0.1051905800  1.987079E-03  1.012942E+00 -1.208703E+00  3.381260E-03  2.642280E-01 -6.250887E-02 -8.786238E-01
  3  1  1  1  1
  0.162455    1.000000

Ga (5spd) min-scan min-scan-q13
  1
  1  0  2  5  2 2 1
  6.7733065500  9.732982E-04  4.346058E-02  1.113547E-03 -3.502301E-01  4.077540E-02
  2.9040225400  1.952924E-02 -2.002569E-01 -1.184598E-02 -4.259623E-01 -6.859838E-02
  1.0544715100 -3.903429E-01  1.038768E+00 -5.762386E-02 -3.408525E-01  3.317056E-01
  0.3450975000  5.273640E-01 -2.320558E+00  3.011267E-01 -1.433489E-01 -2.619152E-01
  0.0913386700  7.427831E-01  1.479465E+00  8.125580E-01 -7.620161E-03 -8.835761E-01

Ga (5spd) sv-scan sv-scan-q13
  1
  1  0  2  5  2 2 2
  6.7733065500  9.732982E-04  4.346058E-02  1.113547E-03  1.746760E-02 -3.502301E-01  4.077540E-02
  2.9040225400  1.952924E-02 -2.002569E-01 -1.184598E-02 -5.661214E-02 -4.259623E-01 -6.859838E-02
  1.0544715100 -3.903429E-01  1.038768E+00 -5.762386E-02  3.176726E-01 -3.408525E-01  3.317056E-01
  0.3450975000  5.273640E-01 -2.320558E+00  3.011267E-01 -1.456150E+00 -1.433489E-01 -2.619152E-01
  0.0913386700  7.427831E-01  1.479465E+00  8.125580E-01  1.007116E+00 -7.620161E-03 -8.835761E-01

Ge (3s3p) min-scan min-scan-q4
  3
  1  0  0  3  1
  1.1831758800 -3.696581E-01
  0.3297092500  6.005472E-01
  0.1104181400  6.416862E-01
  1  1  1  3  1
  1.9568779500 -4.014106E-02
  0.2852629500  5.253274E-01
  0.0805717400  5.935119E-01
  3  2  2  1  1
  0.246000000  1.000000000

Ge (3s3p) sv-scan sv-scan-q4
  3
  1  0  0  3  2
  1.1831758800 -3.696581E-01  6.484497E-01
  0.3297092500  6.005472E-01 -2.312289E+00
  0.1104181400  6.416862E-01  1.768260E+00
  1  1  1  3  2
  1.9568779500 -4.014106E-02  6.138761E-02
  0.2852629500  5.253274E-01 -1.205209E+00
  0.0805717400  5.935119E-01  1.143762E+00
  3  2  2  1  1
  0.246000000  1.000000000

As (3s3p) min-scan min-scan-q5
  3
  1  0  0  3  1
  1.3107923500 -3.664412E-01 
  0.3631982100  6.632550E-01
  0.1279941200  5.815482E-01
  1  1  1  3  1
  2.1317547400 -4.209064E-02  
  0.3412793200  5.503431E-01 
  0.1003127500  5.649536E-01
  3  2  2  1  1
  0.293000000  1.000000000

As (3s3p) sv-scan sv-scan-q5
  3
  1  0  0  3  2
  1.3107923500 -3.664412E-01 -4.635508E-01
  0.3631982100  6.632550E-01  2.231552E+00
  0.1279941200  5.815482E-01 -1.814462E+00
  1  1  1  3  2
  2.1317547400 -4.209064E-02  5.703537E-02
  0.3412793200  5.503431E-01 -1.223091E+00
  0.1003127500  5.649536E-01  1.185236E+00
  3  2  2  1  1
  0.293000000  1.000000000

Se (3s3p) min-scan min-scan-q6
  3
  1  0  0  3  1
  1.3831533000 -4.290800E-01  
  0.4562776400  6.807831E-01 
  0.1566917200  6.196355E-01
  1  1  1  3  1
  2.4718174100 -6.217375E-02  
  0.4056254900  5.673452E-01 
  0.1219157500  5.505164E-01
  3  2  2  1  1
  0.338000000  1.000000000

Se (3s3p) sv-scan sv-scan-q6
  3
  1  0  0  3  2
  1.3831533000 -4.290800E-01  7.747820E-01
  0.4562776400  6.807831E-01 -2.529736E+00
  0.1566917200  6.196355E-01  1.862386E+00
  1  1  1  3  2
  2.4718174100 -6.217375E-02  8.836682E-02
  0.4056254900  5.673452E-01 -1.251931E+00
  0.1219157500  5.505164E-01  1.213073E+00
  3  2  2  1  1
  0.338000000  1.000000000

Br (3s3p) min-scan min-scan-q7
  3
  1  0  0  3  1
  1.5715836200 -4.299258E-01  
  0.4998550700  7.128230E-01 
  0.1770292100  5.842260E-01
  1  1  1  3  1
  2.7018970200 -7.156362E-02  
  0.4704831400  5.831924E-01 
  0.1437187800  5.361698E-01
  3  2  2  1  1
  0.389000000  1.000000000

Br (3s3p) sv-scan sv-scan-q7
  3
  1  0  0  3  2
  1.5715836200 -4.299258E-01  7.282070E-01
  0.4998550700  7.128230E-01 -2.524708E+00
  0.1770292100  5.842260E-01  1.915822E+00
  1  1  1  3  2
  2.7018970200 -7.156362E-02  9.905070E-02
  0.4704831400  5.831924E-01 -1.268157E+00
  0.1437187800  5.361698E-01  1.234043E+00
  3  2  2  1  1
  0.389000000  1.000000000

Kr (3s3p) min-scan min-scan-q8
  3
  1  0  0  3  1
  1.6562205900 -4.839917E-01 
  0.6002984500  7.392967E-01
  0.2070769200  6.098649E-01
  1  1  1  3  1
  2.9531416600 -7.967622E-02
  0.5403837300  5.951187E-01
  0.1668826400  5.261881E-01
  3  2  2  1  1
  0.443000000  1.000000000

Kr (3s3p) sv-scan sv-scan-q8
  3
  1  0  0  3  2
  1.6562205900 -4.839917E-01  8.825574E-01
  0.6002984500  7.392967E-01 -2.677465E+00
  0.2070769200  6.098649E-01  1.905645E+00
  1  1  1  3  2
  2.9531416600 -7.967622E-02  1.091633E-01
  0.5403837300  5.951187E-01 -1.281977E+00
  0.1668826400  5.261881E-01  1.249138E+00
  3  2  2  1  1
  0.443000000  1.000000000

######################################################################################
# Elements Rb to Rn have not yet been updated                                        #
######################################################################################

Rb (5s3p) min-scan min-scan-q9
  2
  1  0  0  5  3
  6.4696748200  8.042014E-02  -2.248881E-02   1.125529E-01
  2.5742313100 -4.749625E-01   1.480572E-01  -5.999574E-01
  0.5091562900  9.059528E-01  -3.743971E-01   2.488445E+00
  0.1901006100  3.318258E-01  -2.999849E-01  -2.701304E+00
  0.0381832900 -2.859504E-03   1.183537E+00   8.758801E-01
  1  1  1  3  1
  1.7027443800 -1.403922E-01
  0.6883067300  6.496106E-01
  0.2160958100  5.324213E-01

Rb (5s3p) sv-scan sv-scan-q9
  2
  1  0  0  5  3
  6.4696748200  8.042014E-02  -2.248881E-02   1.125529E-01
  2.5742313100 -4.749625E-01   1.480572E-01  -5.999574E-01
  0.5091562900  9.059528E-01  -3.743971E-01   2.488445E+00
  0.1901006100  3.318258E-01  -2.999849E-01  -2.701304E+00
  0.0381832900 -2.859504E-03   1.183537E+00   8.758801E-01
  1  1  1  3  2
  1.7027443800 -1.403922E-01   3.952379E-01
  0.6883067300  6.496106E-01  -1.619608E+00
  0.2160958100  5.324213E-01   1.344123E+00

Sr (6s3p) min-scan min-scan-q10
  2
  1  0  0  5  3
  7.1926734700  6.977869E-02  -2.219268E-02   1.117241E-01
  2.6693550900 -5.038081E-01   1.812385E-01  -7.147531E-01
  0.6303163100  8.188034E-01  -4.268263E-01   2.851523E+00
  0.2793031300  4.412463E-01  -2.316052E-01  -2.616425E+00
  0.0433777600  1.094814E-02   1.150035E+00   6.267546E-02
  0.0191939500 -2.606271E-03  -2.113048E-02   6.045680E-01
  1  1  1  3  1
  0.5471922500  8.070698E-01
  0.1769821900  2.560556E-01
  0.0211761200  1.552611E-04

Sr (6s3p) sv-scan sv-scan-q10
  2
  1  0  0  5  3
  7.1926734700  6.977869E-02  -2.219268E-02   1.117241E-01
  2.6693550900 -5.038081E-01   1.812385E-01  -7.147531E-01
  0.6303163100  8.188034E-01  -4.268263E-01   2.851523E+00
  0.2793031300  4.412463E-01  -2.316052E-01  -2.616425E+00
  0.0433777600  1.094814E-02   1.150035E+00   6.267546E-02
  0.0191939500 -2.606271E-03  -2.113048E-02   6.045680E-01
  1  1  1  3  2
  0.5471922500  8.070698E-01  -1.061727E+00
  0.1769821900  2.560556E-01   1.260285E+00
  0.0211761200  1.552611E-04   1.604308E-01

Y (4sp3d) min-scan min-scan-q11 sv-scan sv-scan-q11
  2
  1  0  1  4  3  2
  1.9088512400 -8.407993E-01   3.481001E-01  -1.796853E+00   2.048472E-01  -3.820361E-01
  0.9692193900  1.063377E+00  -5.335868E-01   3.999308E+00  -6.790541E-01   1.273138E+00
  0.3390001000  6.023317E-01  -3.457055E-01  -2.670806E+00  -5.405430E-01  -7.276971E-01
  0.0528978800  5.150281E-03   1.150041E+00   6.820448E-01  -2.457811E-02  -6.740459E-01
  2  2  2  3  2
  0.8766847600 -3.144631E-01   3.171793E-01
  0.2846057700 -5.063927E-01   5.914295E-01
  0.0809724700 -4.365194E-01  -1.020485E+00

Zr (4sp3d) min-scan min-scan-q12 sv-scan sv-scan-q12
  2
  1  0  1  4  3  2
  1.8433657400 -1.879599E+00   8.329822E-01  -5.901974E+00   7.761048E-01  -1.415369E+00
  1.4031171000  1.936922E+00  -9.364925E-01   8.069399E+00  -1.135750E+00   2.187698E+00
  0.4229585300  7.561486E-01  -4.333316E-01  -2.538762E+00  -6.319893E-01  -5.633534E-01
  0.0602673100  9.219857E-03   1.151756E+00   5.917631E-01  -3.018307E-02  -7.568221E-01
  2  2  2  3  2
  1.0238549900 -3.289434E-01   3.163857E-01
  0.3481523100 -5.179712E-01   5.702934E-01
  0.1027906900 -3.942171E-01  -1.045993E+00

Nb (4sp3d) min-scan min-scan-q13 sv-scan sv-scan-q13
  2
  1  0  1  4  3  2
  2.0932716300 -1.148147E+00   5.234240E-01  -3.292633E+00   4.259615E-01  -8.171123E-01
  1.3648836200  1.262947E+00  -6.754612E-01   5.584722E+00  -8.373305E-01   1.690717E+00
  0.4565579300  7.243070E-01  -3.895255E-01  -2.672409E+00  -5.877849E-01  -6.983144E-01
  0.0664760400  5.454378E-03   1.147113E+00   6.311520E-01  -2.607054E-02  -7.052586E-01
  2  2  2  3  2
  1.1576375400 -3.634612E-01   3.208633E-01
  0.3992463100 -5.176207E-01   5.363836E-01
  0.1212879700 -3.519323E-01  -1.065739E+00

Mo (4sp3d) min-scan min-scan-q14 sv-scan sv-scan-q14
  2
  1  0  1  4  3  2
  2.0380674800 -4.289460E+00   2.030280E+00  -1.622781E+01   2.174277E+00   2.508895E+00
  1.8295146500  4.325195E+00  -2.135906E+00   1.846744E+01  -2.539518E+00  -3.043814E+00
  0.5290209700  7.950445E-01  -4.288126E-01  -2.572399E+00  -6.260557E-01   8.813844E-01
  0.0723794000  8.013678E-03   1.144161E+00   5.768926E-01  -2.772799E-02  -1.086129E+00
  2  2  2  3  2
  1.2255690100 -4.105632E-01   1.932658E-01
  0.4241488600 -5.087074E-01   6.456654E-01
  0.1328447600 -3.057331E-01  -1.142099E+00

Tc (4sp3d) min-scan min-scan-q15 sv-scan sv-scan-q15
  2
  1  0  1  4  3  2
  2.2114520000  2.729266E+00   1.270788E+00  -9.525657E+00   1.250271E+00   1.647388E+00
  1.8520385700 -2.790822E+00  -1.396415E+00   1.183238E+01  -1.638832E+00  -2.279374E+00
  0.5662334700 -7.680169E-01  -4.009354E-01  -2.652312E+00  -6.059866E-01   9.756192E-01
  0.0770057100 -7.650228E-03   1.138822E+00   5.886697E-01  -2.453481E-02  -1.075959E+00
  2  2  2  3  2
  1.2801554500 -4.488460E-01   1.875254E-01
  0.4458836500 -4.980912E-01   6.265541E-01
  0.1430864100 -2.690451E-01  -1.161340E+00

Ru (4sp3d) min-scan min-scan-q16 sv-scan sv-scan-q16
  2
  1  0  1  4  3  2
  2.2077785600  4.757879E+00   2.000040E+00  -1.651097E+01   2.155612E+00   6.364293E+00
  1.9833989500 -4.828393E+00  -2.114288E+00   1.879250E+01  -2.570040E+00  -7.698232E+00
  0.5871934000 -7.524279E-01  -3.689507E-01  -2.600201E+00  -5.873402E-01   1.590479E+00
  0.0722395600 -5.640225E-03   1.120466E+00   5.392019E-01  -2.136895E-02  -6.809835E-01
  2  2  2  3  2
  1.3270117800 -4.564206E-01   1.406879E-01
  0.4482268500 -4.954365E-01   6.519540E-01
  0.1366252100 -2.785710E-01  -1.153311E+00

Rh (4sp3d) min-scan min-scan-q17 sv-scan sv-scan-q17
  2
  1  0  1  4  3  2
  2.5649072000  1.755528E+00   7.912929E-01  -5.315528E+00   7.015410E-01   9.362173E-01
  1.9066824500 -1.863315E+00  -9.553801E-01   7.727775E+00  -1.124577E+00  -1.672597E+00
  0.6358713600 -7.183175E-01  -3.452181E-01  -2.775653E+00  -5.714977E-01   1.068237E+00
  0.0852082400 -5.978413E-03   1.127682E+00   6.064537E-01  -1.973525E-02  -1.060763E+00
  2  2  2  3  2
  1.4286795600 -4.990048E-01   1.715719E-01
  0.5025387500 -4.798580E-01   6.085537E-01
  0.1657911600 -2.231013E-01  -1.185002E+00

Pd (4sp3d) min-scan min-scan-q18 sv-scan sv-scan-q18
  2
  1  0  1  4  3  2
  2.7754586800  1.829914E+00   8.014062E-01  -5.644972E+00   7.048130E-01   1.086985E+00
  2.0962721300 -1.927388E+00  -9.548340E-01   8.046379E+00  -1.141094E+00  -1.845445E+00
  0.6944653900 -7.289922E-01  -3.458839E-01  -2.742196E+00  -5.657191E-01   1.087124E+00
  0.0896492600 -6.568265E-03   1.122637E+00   5.835515E-01  -1.917765E-02  -1.047605E+00
  2  2  2  3  2
  1.5199080100 -5.289356E-01   1.692983E-01
  0.5307453900 -4.663447E-01   5.876175E-01
  0.1763050500 -2.020843E-01  -1.189465E+00

Ag (4sp3d) min-scan min-scan-q19 sv-scan sv-scan-q19
  2
  1  0  1  4  3  2
  3.2311932700  1.097433E+00   4.625729E-01  -2.821665E+00   3.339084E-01   4.495070E-01
  1.9871678300 -1.248844E+00  -6.569285E-01   5.260134E+00  -8.163436E-01  -1.183018E+00
  0.7196037300 -6.770499E-01  -2.934000E-01  -2.799131E+00  -5.247051E-01   1.060496E+00
  0.0934140400 -4.586129E-03   1.114133E+00   6.059893E-01  -1.666653E-02  -1.056508E+00
  2  2  2  3  2
  1.6107848600 -5.587113E-01   1.664583E-01
  0.5613814600 -4.491783E-01   5.682596E-01
  0.1876860700 -1.840567E-01  -1.192994E+00

Cd (4sp3d) min-scan min-scan-q20 sv-scan sv-scan-q20
  2
  1  0  1  4  3  2
  3.2765385300  1.402241E+00   5.594543E-01  -3.871675E+00   4.234852E-01   7.079345E-01
  2.2532847000 -1.524449E+00  -7.252979E-01   6.305476E+00  -8.987997E-01  -1.448815E+00
  0.7864922800 -7.043947E-01  -3.172980E-01  -2.751112E+00  -5.394368E-01   1.061815E+00
  0.0972946800 -6.245603E-03   1.112357E+00   5.704383E-01  -1.684408E-02  -1.044619E+00
  2  2  2  3  2
  1.7321425900 -5.509887E-01   1.473097E-01
  0.6174313700 -4.507778E-01   5.992527E-01
  0.2074289300 -1.865163E-01  -1.204388E+00

In (4sp3d) min-scan min-scan-q13 sv-scan sv-scan-q13
  2
  1  0  1  4  2  2
  1.5749562800  3.265915E-01  -3.768416E-01   3.101099E-02  -7.236980E-02
  1.1347711700 -6.449614E-01   7.207173E-01  -8.861606E-02   1.639638E-01
  0.1580025200  8.496753E-01  -1.795178E+00   5.319239E-01  -1.309745E+00
  0.0499650200  3.409578E-01   1.694384E+00   5.763300E-01   1.243315E+00
  2  2  2  3  2
  2.6316973100 -3.819880E-01  -3.019434E-01
  1.0570813100 -5.218156E-01   1.188045E+00
  0.3557535400 -2.786243E-01  -1.317625E+00

Sn (3s3p) min-scan min-scan-q4
  3
  1  0  0  3  1
  1.6421206300  1.217673E+00
  1.4753434000 -1.508642E+00
  0.1406800200  1.121983E+00
  1  1  1  3  1
  1.1240179100 -8.618026E-02
  0.1986553200  5.818644E-01
  0.0598220700  5.437675E-01
  3  2  2  1  1
  0.20500000000 1.000000000

Sn (3s3p) sv-scan sv-scan-q4
  3
  1  0  0  3  2
  1.6421206300  1.217673E+00   1.315688E+01
  1.4753434000 -1.508642E+00  -1.397137E+01
  0.1406800200  1.121983E+00   4.928284E-01
  1  1  1  3  2
  1.1240179100 -8.618026E-02   1.229192E-01
  0.1986553200  5.818644E-01  -1.272979E+00
  0.0598220700  5.437675E-01   1.223294E+00
  3  2  2  1  1
  0.20500000000 1.000000000

Sb (3s3p) min-scan min-scan-q5
  3
  1  0  0  3  1
  0.5756688200 -4.170155E+00
  0.5156233900  4.225848E+00
  0.1224935200  7.882641E-01
  1  1  1  3  1
  1.1811977200 -9.852982E-02
  0.2376595700  6.042490E-01
  0.0741538600  5.240499E-01
  3  2  2  1  1
  0.23060000000 1.000000000

Sb (3s3p) sv-scan sv-scan-q5
  3
  1  0  0  3  2
  0.5756688200 -4.170155E+00   1.403204E+01
  0.5156233900  4.225848E+00  -1.568799E+01
  0.1224935200  7.882641E-01   1.723814E+00
  1  1  1  3  2
  1.1811977200 -9.852982E-02   1.425179E-01
  0.2376595700  6.042490E-01  -1.316608E+00
  0.0741538600  5.240499E-01   1.265527E+00
  3  2  2  1  1
  0.23060000000 1.000000000

Te (3s3p) min-scan min-scan-q6
  3
  1  0  0  3  1
  0.7325825800 -1.203066E+00
  0.4900569300  1.279844E+00
  0.1393150400  7.602367E-01
  1  1  1  3  1
  1.2835023200 -1.130141E-01
  0.2772630000  6.234302E-01
  0.0884352600  5.091089E-01
  3  2  2  1  1
  0.25000000000 1.000000000

Te (3s3p) sv-scan sv-scan-q6
  3
  1  0  0  3  2
  0.7325825800 -1.203066E+00   3.403106E+00
  0.4900569300  1.279844E+00  -5.156811E+00
  0.1393150400  7.602367E-01   1.839090E+00
  1  1  1  3  2
  1.2835023200 -1.130141E-01   1.624568E-01
  0.2772630000  6.234302E-01  -1.349873E+00
  0.0884352600  5.091089E-01   1.295189E+00
  3  2  2  1  1
  0.25000000000 1.000000000

I (3s3p) min-scan min-scan-q7
  3
  1  0  0  3  1
  0.6857867500 -4.638980E+00
  0.6152456000  4.731068E+00
  0.1563621900  7.443161E-01
  1  1  1  3  1
  1.3996196300 -1.239359E-01
  0.3173066600  6.400256E-01
  0.1027725600  4.961807E-01
  3  2  2  1  1
  0.30900000000 1.000000000

I (3s3p) sv-scan sv-scan-q7
  3
  1  0  0  3  2
  0.6857867500 -4.638980E+00   1.458806E+01
  0.6152456000  4.731068E+00  -1.635955E+01
  0.1563621900  7.443161E-01   1.863499E+00
  1  1  1  3  2
  1.3996196300 -1.239359E-01   1.739354E-01
  0.3173066600  6.400256E-01  -1.372371E+00
  0.1027725600  4.961807E-01   1.316936E+00
  3  2  2  1  1
  0.30900000000 1.000000000

Xe (3s3p) min-scan min-scan-q8
  3
  1  0  0  3  1
  0.7491303900 -4.705506E+00
  0.6718648200  4.807601E+00
  0.1749372500  7.334742E-01
  1  1  1  3  1
  1.5043855400 -1.306344E-01
  0.3581712100  6.541707E-01
  0.1172975700  4.852965E-01
  3  2  2  1  1
  0.32000000000 1.000000000

Xe (3s3p) sv-scan sv-scan-q8
  3
  1  0  0  3  2
  0.7491303900 -4.705506E+00   1.464180E+01
  0.6718648200  4.807601E+00  -1.645863E+01
  0.1749372500  7.334742E-01   1.912880E+00
  1  1  1  3  2
  1.5043855400 -1.306344E-01   1.811212E-01
  0.3581712100  6.541707E-01  -1.389775E+00
  0.1172975700  4.852965E-01   1.333783E+00
  3  2  2  1  1
  0.32000000000 1.000000000

Cs (5s3p) min-scan min-scan-q9
  2
  1  0  0  5  3
  2.1663723200 -1.691295E+00   5.600809E-01  -1.363933E+00
  1.9469215600  2.139296E+00  -7.169058E-01   1.713167E+00
  0.3248196200 -1.148195E+00   5.467285E-01  -1.561355E+00
  0.0533756000 -8.083595E-01   5.824987E+00   1.959307E+01
  0.0479642000  6.858921E-01  -6.809744E+00  -1.859437E+01
  1  1  1  3  1
  1.1441603300 -2.348742E-01
  0.4736477800  7.053522E-01
  0.1584003000  5.253723E-01

Cs (5s3p) sv-scan sv-scan-q9
  2
  1  0  0  5  3
  2.1663723200 -1.691295E+00   5.600809E-01  -1.363933E+00
  1.9469215600  2.139296E+00  -7.169058E-01   1.713167E+00
  0.3248196200 -1.148195E+00   5.467285E-01  -1.561355E+00
  0.0533756000 -8.083595E-01   5.824987E+00   1.959307E+01
  0.0479642000  6.858921E-01  -6.809744E+00  -1.859437E+01
  1  1  1  3  2
  1.1441603300 -2.348742E-01   5.059680E-01
  0.4736477800  7.053522E-01  -1.798495E+00
  0.1584003000  5.253723E-01   1.429989E+00

Ba (6s3p) min-scan min-scan-q10
  2
  1  0  0  6  3
  4.0077816800 -3.659379E-01  -9.894800E-02   1.426454E+00
  3.5628902500  6.143009E-01   1.826842E-01  -2.024049E+00
  1.7604533900 -7.799691E-01  -2.985523E-01   1.441854E+00
  0.4304049000  9.961207E-01   5.506601E-01  -3.433357E+00
  0.1801669800  3.497447E-01   2.982761E-01   3.453615E+00
  0.0410993800 -6.619290E-04  -1.222271E+00  -1.084808E+00
  1  1  1  3  1
  1.2277754400 -3.000740E-01
  0.5636613900  7.518459E-01
  0.1949343900  5.271630E-01

Ba (6s3p) sv-scan sv-scan-q10
  2
  1  0  0  6  3
  4.0077816800 -3.659379E-01  -9.894800E-02   1.426454E+00
  3.5628902500  6.143009E-01   1.826842E-01  -2.024049E+00
  1.7604533900 -7.799691E-01  -2.985523E-01   1.441854E+00
  0.4304049000  9.961207E-01   5.506601E-01  -3.433357E+00
  0.1801669800  3.497447E-01   2.982761E-01   3.453615E+00
  0.0410993800 -6.619290E-04  -1.222271E+00  -1.084808E+00
  1  1  1  3  2
  1.2277754400 -3.000740E-01   6.529659E-01
  0.5636613900  7.518459E-01  -2.011886E+00
  0.1949343900  5.271630E-01   1.501529E+00

La (4sp4df) min-scan min-scan-q11
  2
  1  0  1  4  3  2
  1.0294972600 -4.543645E+00   2.038558E+00  -1.667996E+01   2.532342E+00  -5.523888E+00
  0.9267012700  4.560500E+00  -2.109899E+00   1.891306E+01  -2.825909E+00   6.569723E+00
  0.2621795200  8.072526E-01  -5.385047E-01  -2.617504E+00  -6.631245E-01  -8.426281E-01
  0.0428432600 -4.257503E-03   1.199428E+00   6.465313E-01  -3.915769E-02  -5.489845E-01
  1  2  3  4  1  1
  3.9697767600 -8.330075E-03  -4.700456E-01
  1.3760923100 -1.821604E-02  -4.648924E-01
  0.4034128700  4.944068E-01  -3.313492E-01
  0.0970563300  6.856400E-01  -1.231891E-01

La (4sp4df) sv-scan sv-scan-q11
  2
  1  0  1  4  3  2
  1.0294972600 -4.543645E+00   2.038558E+00  -1.667996E+01   2.532342E+00  -5.523888E+00
  0.9267012700  4.560500E+00  -2.109899E+00   1.891306E+01  -2.825909E+00   6.569723E+00
  0.2621795200  8.072526E-01  -5.385047E-01  -2.617504E+00  -6.631245E-01  -8.426281E-01
  0.0428432600 -4.257503E-03   1.199428E+00   6.465313E-01  -3.915769E-02  -5.489845E-01
  1  2  3  4  2  2
  3.9697767600 -8.330075E-03   1.857718E-02   -4.700456E-01   1.602549E-01
  1.3760923100 -1.821604E-02   9.781341E-03   -4.648924E-01   2.341394E-01
  0.4034128700  4.944068E-01  -1.012513E+00   -3.313492E-01  -1.441052E-01
  0.0970563300  6.856400E-01   8.770869E-01   -1.231891E-01  -9.059440E-01

Ce (4sp4df) min-scan min-scan-q12
  2
  1  0  1  4  3  2
  1.1748200500 -3.895879E+00   1.810799E+00  -1.740705E+01   2.498341E+00  -4.315134E+00
  1.0577886100  3.823234E+00  -1.839343E+00   1.965137E+01  -2.744276E+00   4.951459E+00
  0.3015114600  8.951412E-01  -5.855083E-01  -2.591420E+00  -6.982131E-01  -3.560652E-01
  0.0474180800 -2.557514E-03   1.199704E+00   6.078361E-01  -4.237637E-02  -8.438788E-01
  1  2  3  4  1  1
  3.9125572400 -8.395313E-03  -4.784575E-01
  1.4546162900 -1.806213E-02  -4.629185E-01
  0.4627886200  5.071344E-01  -3.043034E-01
  0.1193535000  6.627632E-01  -8.223402E-02

Ce (4sp4df) sv-scan sv-scan-q12
  2
  1  0  1  4  3  2
  1.1748200500 -3.895879E+00   1.810799E+00  -1.740705E+01   2.498341E+00  -4.315134E+00
  1.0577886100  3.823234E+00  -1.839343E+00   1.965137E+01  -2.744276E+00   4.951459E+00
  0.3015114600  8.951412E-01  -5.855083E-01  -2.591420E+00  -6.982131E-01  -3.560652E-01
  0.0474180800 -2.557514E-03   1.199704E+00   6.078361E-01  -4.237637E-02  -8.438788E-01
  1  2  3  4  2  2
  3.9125572400 -8.395313E-03   2.552876E-03  -4.784575E-01   1.139006E-01
  1.4546162900 -1.806213E-02   7.241444E-02  -4.629185E-01   1.618932E-01
  0.4627886200  5.071344E-01  -1.069825E+00  -3.043034E-01  -2.071267E-02
  0.1193535000  6.627632E-01   9.329213E-01  -8.223402E-02  -9.730633E-01

Pr (4sp4df) min-scan min-scan-q13
  2
  1  0  1  4  3  2
  1.1613088600 -3.963436E+00   1.642741E+00  -1.580692E+01   2.549538E+00  -5.162992E+00
  1.0434828100  3.960094E+00  -1.684607E+00   1.794092E+01  -2.792423E+00   6.058703E+00
  0.2870867900  8.439576E-01  -5.418388E-01  -2.445373E+00  -6.981907E-01  -6.552598E-01
  0.0433174600 -4.399412E-03   1.183975E+00   5.766157E-01  -4.432961E-02  -6.656044E-01
  1  2  3  4  1  1
  4.0772434200 -1.996629E-03  -4.607124E-01
  1.5663099400 -3.292021E-02  -4.242430E-01
  0.5027847600  4.130826E-01  -3.327557E-01
  0.1187156200  7.605968E-01  -1.781195E-01

Pr (4sp4df) sv-scan sv-scan-q13
  2
  1  0  1  4  3  2
  1.1613088600 -3.963436E+00   1.642741E+00  -1.580692E+01   2.549538E+00  -5.162992E+00
  1.0434828100  3.960094E+00  -1.684607E+00   1.794092E+01  -2.792423E+00   6.058703E+00
  0.2870867900  8.439576E-01  -5.418388E-01  -2.445373E+00  -6.981907E-01  -6.552598E-01
  0.0433174600 -4.399412E-03   1.183975E+00   5.766157E-01  -4.432961E-02  -6.656044E-01
  1  2  3  4  2  2
  4.0772434200 -1.996629E-03  -8.007532E-04  -4.607124E-01   1.966708E-01
  1.5663099400 -3.292021E-02   8.309762E-02  -4.242430E-01   1.992210E-01
  0.5027847600  4.130826E-01  -1.089282E+00  -3.327557E-01  -4.595143E-02
  0.1187156200  7.605968E-01   8.150108E-01  -1.781195E-01  -9.353706E-01

Nd (4sp4df) min-scan min-scan-q14
  2
  1  0  1  4  3  2
  1.3177530900 -1.576856E+00   6.180633E-01  -5.055378E+00   8.041492E-01  -1.509943E+00
  0.9767443800  1.623407E+00  -6.818125E-01   7.196252E+00  -1.088359E+00   2.452462E+00
  0.2931042300  7.880671E-01  -5.013237E-01  -2.479014E+00  -6.743698E-01  -7.157877E-01
  0.0437794000 -3.005394E-03   1.174921E+00   5.852714E-01  -4.082519E-02  -6.331329E-01

  1  2  3  4  1  1
  4.3002857400  1.291064E-04  -4.696432E-01
  1.6906239700 -3.158642E-02  -4.242636E-01
  0.5482618500  3.924547E-01  -3.228860E-01
  0.1299964900  7.752447E-01  -1.605473E-01

Nd (4sp4df) sv-scan sv-scan-q14
  2
  1  0  1  4  3  2
  1.3177530900 -1.576856E+00   6.180633E-01  -5.055378E+00   8.041492E-01  -1.509943E+00
  0.9767443800  1.623407E+00  -6.818125E-01   7.196252E+00  -1.088359E+00   2.452462E+00
  0.2931042300  7.880671E-01  -5.013237E-01  -2.479014E+00  -6.743698E-01  -7.157877E-01
  0.0437794000 -3.005394E-03   1.174921E+00   5.852714E-01  -4.082519E-02  -6.331329E-01
  1  2  3  4  2  2
  4.3002857400  1.291064E-04  -6.951858E-03  -4.696432E-01   1.922460E-01
  1.6906239700 -3.158642E-02   8.957875E-02  -4.242636E-01   1.932787E-01
  0.5482618500  3.924547E-01  -1.101139E+00  -3.228860E-01  -6.997152E-02
  0.1299964900  7.752447E-01   8.035381E-01  -1.605473E-01  -9.317312E-01

Pm (4sp4df) min-scan min-scan-q15
  2
  1  0  1  4  3  2
  1.4314016100  1.090421E+00   4.149615E-01  -3.018526E+00   4.748728E-01  -7.077197E-01
  0.9017888400 -1.215782E+00  -5.143442E-01   5.197451E+00  -8.111108E-01   1.243564E+00
  0.2917141500 -7.157954E-01  -4.541756E-01  -2.576053E+00  -6.348262E-01  -2.893390E-01
  0.0441950100  3.999845E-03   1.169070E+00   6.177385E-01  -3.628606E-02  -8.871761E-01
  1  2  3  4  1  1
  4.4221866400 -2.780646E-04  -4.790744E-01
  1.7732035700 -2.673187E-02  -4.212341E-01
  0.5815456100  3.841291E-01  -3.136212E-01
  0.1391751800  7.788579E-01  -1.486704E-01

Pm (4sp4df) sv-scan sv-scan-q15
  2
  1  0  1  4  3  2
  1.4314016100  1.090421E+00   4.149615E-01  -3.018526E+00   4.748728E-01  -7.077197E-01
  0.9017888400 -1.215782E+00  -5.143442E-01   5.197451E+00  -8.111108E-01   1.243564E+00
  0.2917141500 -7.157954E-01  -4.541756E-01  -2.576053E+00  -6.348262E-01  -2.893390E-01
  0.0441950100  3.999845E-03   1.169070E+00   6.177385E-01  -3.628606E-02  -8.871761E-01
  1  2  3  4  2  2
  4.4221866400 -2.780646E-04  -2.226161E-02  -4.790744E-01   9.687992E-02
  1.7732035700 -2.673187E-02   1.466140E-01  -4.212341E-01   9.783562E-02
  0.5815456100  3.841291E-01  -1.138422E+00  -3.136212E-01   1.963766E-01
  0.1391751800  7.788579E-01   8.128346E-01  -1.486704E-01  -1.028169E+00

Sm (4sp4df) min-scan min-scan-q16
  2
  1  0  1  4  3  2
  1.5859281100  8.034046E-01   2.973425E-01  -1.744791E+00   2.752536E-01  -4.622713E-01
  0.7998156100 -1.042950E+00  -4.562189E-01   3.964391E+00  -6.904131E-01   1.122728E+00
  0.2815831500 -6.016626E-01  -3.815654E-01  -2.684713E+00  -5.706513E-01  -4.570807E-01
  0.0445145200  4.407741E-03   1.162238E+00   6.760730E-01  -2.964826E-02  -8.246883E-01
  1  2  3  4  1  1
  4.6832932400  9.398545E-04  -4.821057E-01
  1.9050176300 -2.664385E-02  -4.202636E-01
  0.6276638600  3.653550E-01  -3.094976E-01
  0.1507135000  7.922293E-01  -1.421494E-01

Sm (4sp4df) sv-scan sv-scan-q16
  2
  1  0  1  4  3  2
  1.5859281100  8.034046E-01   2.973425E-01  -1.744791E+00   2.752536E-01  -4.622713E-01
  0.7998156100 -1.042950E+00  -4.562189E-01   3.964391E+00  -6.904131E-01   1.122728E+00
  0.2815831500 -6.016626E-01  -3.815654E-01  -2.684713E+00  -5.706513E-01  -4.570807E-01
  0.0445145200  4.407741E-03   1.162238E+00   6.760730E-01  -2.964826E-02  -8.246883E-01
  1  2  3  4  2  2
  4.6832932400  9.398545E-04  -2.749310E-02  -4.821057E-01   8.745198E-02
  1.9050176300 -2.664385E-02   1.579233E-01  -4.202636E-01   8.753531E-02
  0.6276638600  3.653550E-01  -1.151894E+00  -3.094976E-01   2.130886E-01
  0.1507135000  7.922293E-01   8.023762E-01  -1.421494E-01  -1.033896E+00

Eu (4sp4df) min-scan min-scan-q17
  2
  1  0  1  4  3  2
  1.6938923700  8.284559E-01   2.988315E-01  -2.069791E+00   3.448000E-01  -5.029094E-01
  0.9170875600 -9.754880E-01  -4.042014E-01   4.219581E+00  -6.971249E-01   1.062454E+00
  0.3091628900 -6.964174E-01  -4.296561E-01  -2.541756E+00  -6.194936E-01  -3.291197E-01
  0.0456607800  6.059896E-03   1.159970E+00   6.055926E-01  -3.578937E-02  -8.736086E-01
  1  2  3  4  1  1
  4.9103581000  1.303631E-03  -4.861007E-01
  2.0186726900 -2.829511E-02  -4.191091E-01
  0.6679399800  3.557360E-01  -3.046390E-01
  0.1608101400  7.993547E-01  -1.372733E-01

Eu (4sp4df) sv-scan sv-scan-q17
  2
  1  0  1  4  3  2
  1.6938923700  8.284559E-01   2.988315E-01  -2.069791E+00   3.448000E-01  -5.029094E-01
  0.9170875600 -9.754880E-01  -4.042014E-01   4.219581E+00  -6.971249E-01   1.062454E+00
  0.3091628900 -6.964174E-01  -4.296561E-01  -2.541756E+00  -6.194936E-01  -3.291197E-01
  0.0456607800  6.059896E-03   1.159970E+00   6.055926E-01  -3.578937E-02  -8.736086E-01
  1  2  3  4  2  2
  4.9103581000  1.303631E-03  -3.045031E-02  -4.861007E-01   8.209323E-02
  2.0186726900 -2.829511E-02   1.693664E-01  -4.191091E-01   8.151961E-02
  0.6679399800  3.557360E-01  -1.162750E+00  -3.046390E-01   2.202483E-01
  0.1608101400  7.993547E-01   7.975614E-01  -1.372733E-01  -1.036916E+00

Gd (4sp4df) min-scan min-scan-q18
  2
  1  0  1  4  3  2
  1.6426207800 -1.083496E+00  -5.034583E-01   3.124613E+00   4.356106E-01  -8.082406E-01
  1.0374001800  1.205688E+00   6.333802E-01  -5.573856E+00  -7.791228E-01   1.577572E+00
  0.3567417700  7.181430E-01   5.646206E-01   2.997237E+00  -6.277283E-01  -4.795842E-01
  0.0698972500 -2.508914E-04  -1.248680E+00  -8.144971E-01  -3.700557E-02  -7.897221E-01
  1  2  3  4  1  1
  5.1668107400  3.556211E-03   -4.940023E-01
  2.2381622500 -3.866687E-02   -4.204699E-01
  0.7902816200  3.771193E-01   -2.831205E-01
  0.2207322800  7.657443E-01   -8.379090E-02

Gd (4sp4df) sv-scan sv-scan-q18
  2
  1  0  1  4  3  2
  1.6426207800 -1.083496E+00  -5.034583E-01   3.124613E+00   4.356106E-01  -8.082406E-01
  1.0374001800  1.205688E+00   6.333802E-01  -5.573856E+00  -7.791228E-01   1.577572E+00
  0.3567417700  7.181430E-01   5.646206E-01   2.997237E+00  -6.277283E-01  -4.795842E-01
  0.0698972500 -2.508914E-04  -1.248680E+00  -8.144971E-01  -3.700557E-02  -7.897221E-01
  1  2  3  4  2  2
  5.1668107400  3.556211E-03  -4.269233E-02   -4.940023E-01   7.297021E-02
  2.2381622500 -3.866687E-02   2.146102E-01   -4.204699E-01   1.210824E-01
  0.7902816200  3.771193E-01  -1.250687E+00   -2.831205E-01   1.264868E-01
  0.2207322800  7.657443E-01   9.127602E-01   -8.379090E-02  -1.031870E+00

Tb (4sp4df) min-scan min-scan-q19
  2
  1  0  1  4  3  2
  1.9072398900  7.406908E-01   2.563847E-01  -1.803177E+00   3.061818E-01  -4.373515E-01
  0.9736675900 -8.981003E-01  -3.588895E-01   3.916969E+00  -6.640827E-01   9.896580E-01
  0.3303551100 -6.928098E-01  -4.183458E-01  -2.489774E+00  -6.163286E-01  -3.274338E-01
  0.0473417200  7.383881E-03   1.152858E+00   5.859728E-01  -3.646449E-02  -8.749871E-01
  1  2  3  4  1  1
  5.3432827600  2.169266E-03  -4.939883E-01
  2.2410716100 -2.740757E-02  -4.162031E-01
  0.7449837600  3.355559E-01  -2.955793E-01
  0.1797148700  8.132585E-01  -1.302785E-01

Tb (4sp4df) sv-scan sv-scan-q19
  2
  1  0  1  4  3  2
  1.9072398900  7.406908E-01   2.563847E-01  -1.803177E+00   3.061818E-01  -4.373515E-01
  0.9736675900 -8.981003E-01  -3.588895E-01   3.916969E+00  -6.640827E-01   9.896580E-01
  0.3303551100 -6.928098E-01  -4.183458E-01  -2.489774E+00  -6.163286E-01  -3.274338E-01
  0.0473417200  7.383881E-03   1.152858E+00   5.859728E-01  -3.646449E-02  -8.749871E-01
  1  2  3  4  2  2
  5.3432827600  2.169266E-03  -3.657924E-02  -4.939883E-01   7.265093E-02
  2.2410716100 -2.740757E-02   1.832066E-01  -4.162031E-01   6.898354E-02
  0.7449837600  3.355559E-01  -1.176742E+00  -2.955793E-01   2.378444E-01
  0.1797148700  8.132585E-01   7.857031E-01  -1.302785E-01  -1.042508E+00

Dy (4sp4df) min-scan min-scan-q20
  2
  1  0  1  4  3  2
  1.9823562600  6.890658E-01   2.368781E-01  -1.422906E+00   2.316855E-01  -3.807657E-01
  0.9116987300 -9.458026E-01  -3.892254E-01   3.552682E+00  -6.561265E-01   1.034960E+00
  0.3205146700 -5.938421E-01  -3.568221E-01  -2.561976E+00  -5.657011E-01  -4.653405E-01
  0.0476169400  6.883815E-03   1.146366E+00   6.332553E-01  -3.056849E-02  -8.210553E-01
  1  2  3  4  1  1
  5.6417870900  2.764135E-03  -4.934693E-01
  2.3844211000 -2.674591E-02  -4.156055E-01
  0.7942944500  3.221067E-01  -2.947179E-01
  0.1923447800  8.219981E-01  -1.299634E-01

Dy (4sp4df) sv-scan sv-scan-q20
  2
  1  0  1  4  3  2
  1.9823562600  6.890658E-01   2.368781E-01  -1.422906E+00   2.316855E-01  -3.807657E-01
  0.9116987300 -9.458026E-01  -3.892254E-01   3.552682E+00  -6.561265E-01   1.034960E+00
  0.3205146700 -5.938421E-01  -3.568221E-01  -2.561976E+00  -5.657011E-01  -4.653405E-01
  0.0476169400  6.883815E-03   1.146366E+00   6.332553E-01  -3.056849E-02  -8.210553E-01
  1  2  3  4  2  2
  5.6417870900  2.764135E-03  -4.049113E-02  -4.934693E-01   6.831444E-02
  2.3844211000 -2.674591E-02   1.914822E-01  -4.156055E-01   6.133847E-02
  0.7942944500  3.221067E-01  -1.186078E+00  -2.947179E-01   2.559366E-01
  0.1923447800  8.219981E-01   7.791480E-01  -1.299634E-01  -1.046495E+00

Ho (4sp4df) min-scan min-scan-q21
  2
  1  0  1  4  3  2
  2.0814626100  6.698263E-01   2.278177E-01  -1.370142E+00   2.360771E-01  -3.719904E-01
  0.9397541800 -9.272992E-01  -3.795244E-01   3.481898E+00  -6.549662E-01   1.023057E+00
  0.3299894900 -5.946185E-01  -3.519371E-01  -2.537753E+00  -5.672375E-01  -4.637907E-01
  0.0484960000  7.809758E-03   1.143545E+00   6.261780E-01  -3.100997E-02  -8.212481E-01
  1  2  3  4  1  1
  5.9565337700  3.467742E-03  -4.937509E-01
  2.5305275400 -2.769953E-02  -4.143001E-01
  0.8439050200  3.086256E-01  -2.943307E-01
  0.2050599900  8.310920E-01  -1.304690E-01

Ho (4sp4df) sv-scan sv-scan-q21
  2
  1  0  1  4  3  2
  2.0814626100  6.698263E-01   2.278177E-01  -1.370142E+00   2.360771E-01  -3.719904E-01
  0.9397541800 -9.272992E-01  -3.795244E-01   3.481898E+00  -6.549662E-01   1.023057E+00
  0.3299894900 -5.946185E-01  -3.519371E-01  -2.537753E+00  -5.672375E-01  -4.637907E-01
  0.0484960000  7.809758E-03   1.143545E+00   6.261780E-01  -3.100997E-02  -8.212481E-01
  1  2  3  4  2  2
  5.9565337700  3.467742E-03  -4.452390E-02  -4.937509E-01   6.574775E-02
  2.5305275400 -2.769953E-02   2.028195E-01  -4.143001E-01   5.466750E-02
  0.8439050200  3.086256E-01  -1.197056E+00  -2.943307E-01   2.715599E-01
  0.2050599900  8.310920E-01   7.720184E-01  -1.304690E-01  -1.049668E+00

Er (4sp4df) min-scan min-scan-q22
  2
  1  0  1  4  3  2
  2.1752932800  6.552281E-01   2.208943E-01  -1.291752E+00   2.157104E-01  -3.523005E-01
  0.9542497500 -9.349224E-01  -3.815052E-01   3.388020E+00  -6.504496E-01   1.021465E+00
  0.3359922200 -5.723487E-01  -3.348263E-01  -2.530856E+00  -5.570389E-01  -4.907839E-01
  0.0492355200  7.664999E-03   1.139463E+00   6.293644E-01  -3.003198E-02  -8.093577E-01
  1  2  3  4  1  1
  6.2623604500  3.879830E-03  -4.951288E-01
  2.6740651300 -2.590142E-02  -4.127200E-01
  0.8927500000  2.976387E-01  -2.931182E-01
  0.2173556700  8.378572E-01  -1.306927E-01

Er (4sp4df) sv-scan sv-scan-q22
  2
  1  0  1  4  3  2
  2.1752932800  6.552281E-01   2.208943E-01  -1.291752E+00   2.157104E-01  -3.523005E-01
  0.9542497500 -9.349224E-01  -3.815052E-01   3.388020E+00  -6.504496E-01   1.021465E+00
  0.3359922200 -5.723487E-01  -3.348263E-01  -2.530856E+00  -5.570389E-01  -4.907839E-01
  0.0492355200  7.664999E-03   1.139463E+00   6.293644E-01  -3.003198E-02  -8.093577E-01
  1  2  3  4  2  2
  6.2623604500  3.879830E-03  -4.737119E-02  -4.951288E-01   6.358080E-02
  2.6740651300 -2.590142E-02   2.060998E-01  -4.127200E-01   4.865936E-02
  0.8927500000  2.976387E-01  -1.201779E+00  -2.931182E-01   2.843779E-01
  0.2173556700  8.378572E-01   7.659741E-01  -1.306927E-01  -1.052147E+00

Tm (4sp4df) min-scan min-scan-q23
  2
  1  0  1  4  3  2
  2.2420859600  6.678150E-01   2.227402E-01  -1.343325E+00   2.103011E-01  -3.575832E-01
  1.0092001400 -9.382310E-01  -3.767825E-01   3.418041E+00  -6.434881E-01   1.013984E+00
  0.3506629500 -5.837429E-01  -3.351874E-01  -2.491548E+00  -5.645342E-01  -4.758116E-01
  0.0501534500  7.540937E-03   1.135744E+00   6.120211E-01  -3.108283E-02  -8.155283E-01
  1  2  3  4  1  1
  6.6195546900  4.078880E-03  -4.934034E-01
  2.8366890400 -2.248452E-02  -4.129330E-01
  0.9488666900  2.886615E-01  -2.931049E-01
  0.2317132500  8.426946E-01  -1.319976E-01

Tm (4sp4df) sv-scan sv-scan-q23
  2
  1  0  1  4  3  2
  2.2420859600  6.678150E-01   2.227402E-01  -1.343325E+00   2.103011E-01  -3.575832E-01
  1.0092001400 -9.382310E-01  -3.767825E-01   3.418041E+00  -6.434881E-01   1.013984E+00
  0.3506629500 -5.837429E-01  -3.351874E-01  -2.491548E+00  -5.645342E-01  -4.758116E-01
  0.0501534500  7.540937E-03   1.135744E+00   6.120211E-01  -3.108283E-02  -8.155283E-01
  1  2  3  4  2  2
  6.6195546900  4.078880E-03  -4.941671E-02  -4.934034E-01   6.210814E-02
  2.8366890400 -2.248452E-02   2.045220E-01  -4.129330E-01   4.425363E-02
  0.9488666900  2.886615E-01  -1.203431E+00  -2.931049E-01   2.960634E-01
  0.2317132500  8.426946E-01   7.621765E-01  -1.319976E-01  -1.054251E+00

Yb (4sp4df) min-scan min-scan-q24
  2
  1  0  1  4  3  2
  2.3862296800  5.971595E-01   1.975379E-01  -1.030246E+00   1.507306E-01  -2.908198E-01
  0.9387779100 -9.703218E-01  -3.983754E-01   3.097068E+00  -6.492237E-01   1.035598E+00
  0.3365610900 -4.812464E-01  -2.763068E-01  -2.547903E+00  -5.115619E-01  -6.016590E-01
  0.0504500800  6.334133E-03   1.129755E+00   6.639019E-01  -2.543283E-02  -7.573104E-01
  1  2  3  4  1  1
  6.8817105000  5.244081E-03  -5.023180E-01
  2.9790285200 -3.368680E-02  -4.087081E-01
  0.9924178700  2.791899E-01  -2.869224E-01
  0.2412534900  8.521208E-01  -1.293909E-01

Yb (4sp4df) sv-scan sv-scan-q24
  2
  1  0  1  4  3  2
  2.3862296800  5.971595E-01   1.975379E-01  -1.030246E+00   1.507306E-01  -2.908198E-01
  0.9387779100 -9.703218E-01  -3.983754E-01   3.097068E+00  -6.492237E-01   1.035598E+00
  0.3365610900 -4.812464E-01  -2.763068E-01  -2.547903E+00  -5.115619E-01  -6.016590E-01
  0.0504500800  6.334133E-03   1.129755E+00   6.639019E-01  -2.543283E-02  -7.573104E-01
  1  2  3  4  2  2
  6.8817105000  5.244081E-03  -5.629861E-02  -5.023180E-01   5.818522E-02
  2.9790285200 -3.368680E-02   2.421630E-01  -4.087081E-01   3.494750E-02
  0.9924178700  2.791899E-01  -1.225533E+00  -2.869224E-01   3.087192E-01
  0.2412534900  8.521208E-01   7.519732E-01  -1.293909E-01  -1.056283E+00

Lu (4sp4df) min-scan min-scan-q25
  2
  1  0  1  4  3  2
  2.4692179900 -6.636850E-01  -2.776875E-01   1.390695E+00   2.018104E-01  -3.587240E-01
  1.0997807100  9.267351E-01   4.684394E-01  -3.742423E+00  -6.319778E-01   1.173130E+00
  0.4081693400  5.849209E-01   4.542997E-01   2.957868E+00  -5.575908E-01  -5.703174E-01
  0.0804556500 -4.776902E-03  -1.224370E+00  -8.433957E-01  -3.280328E-02  -7.499196E-01
  1  2  3  4  1  1
  7.3328552700  7.306623E-03  -5.054992E-01
  3.3039454000 -3.995311E-02  -4.095126E-01
  1.1487476300  2.882708E-01  -2.736810E-01
  0.3120689800  8.350442E-01  -9.281891E-02

Lu (4sp4df) sv-scan sv-scan-q25
  2
  1  0  1  4  3  2
  2.4692179900 -6.636850E-01  -2.776875E-01   1.390695E+00   2.018104E-01  -3.587240E-01
  1.0997807100  9.267351E-01   4.684394E-01  -3.742423E+00  -6.319778E-01   1.173130E+00
  0.4081693400  5.849209E-01   4.542997E-01   2.957868E+00  -5.575908E-01  -5.703174E-01
  0.0804556500 -4.776902E-03  -1.224370E+00  -8.433957E-01  -3.280328E-02  -7.499196E-01
  1  2  3  4  2  2
  7.3328552700  7.306623E-03  -6.992718E-02  -5.054992E-01   5.475974E-02
  3.3039454000 -3.995311E-02   2.831116E-01  -4.095126E-01   5.996518E-02
  1.1487476300  2.882708E-01  -1.295870E+00  -2.736810E-01   2.502013E-01
  0.3120689800  8.350442E-01   8.384570E-01  -9.281891E-02  -1.064845E+00

Hf (4sp3d) min-scan min-scan-q12 sv-scan sv-scan-q12
  2
  1  0  1  4  3  2
  2.1012423800 -4.758218E+00   1.788256E+00  -1.705103E+01   2.325372E+00  -3.356718E+00
  1.8908538700  4.763092E+00  -1.824551E+00   1.910810E+01  -2.578365E+00   3.857877E+00
  0.5068545800  8.001757E-01  -5.138778E-01  -2.415085E+00  -7.081777E-01  -2.079298E-01
  0.0732230300  1.271835E-03   1.171285E+00   5.553101E-01  -4.241143E-02  -9.008032E-01
  2  2  2  3  2
  0.8802982200 -3.497002E-01   3.264164E-01
  0.2883868000 -5.126205E-01   5.496353E-01
  0.0846791800 -3.879238E-01  -1.042822E+00

Ta (4sp3d) min-scan min-scan-q13 sv-scan sv-scan-q13
  2
  1  0  1  4  3  2
  2.8406766000  7.143060E-01   2.395910E-01  -1.915588E+00   3.393604E-01  -4.396160E-01
  1.5215192800 -7.516254E-01  -2.973046E-01   4.181298E+00  -6.219862E-01   1.019030E+00
  0.5348434900 -8.072008E-01  -5.337996E-01  -2.572619E+00  -6.713283E-01  -2.911508E-01
  0.0814620400  4.679655E-03   1.184734E+00   5.964583E-01  -4.104212E-02  -8.815617E-01
  2  2  2  3  2
  1.0477086200 -3.282539E-01   2.979984E-01
  0.3627736400 -5.239268E-01   5.853672E-01
  0.1082485300 -3.822654E-01  -1.060415E+00

W  (4sp3d) min-scan min-scan-q14 sv-scan sv-scan-q14
  2
  1  0  1  4  3  2
  2.8919276800  7.948853E-01   2.654691E-01  -2.163280E+00   3.779725E-01  -5.064073E-01
  1.6433131200 -8.254627E-01  -3.250984E-01   4.466374E+00  -6.582173E-01   1.096184E+00
  0.5752544200 -8.103157E-01  -5.382765E-01  -2.603185E+00  -6.737202E-01  -3.026158E-01
  0.0880237800  3.660178E-03   1.186307E+00   6.023163E-01  -3.914524E-02  -8.790034E-01
  2  2  2  3  2
  1.1658442200 -3.267863E-01   2.869218E-01
  0.4177928500 -5.307037E-01   5.931853E-01
  0.1271698300 -3.655389E-01  -1.076436E+00

Re (4sp3d) min-scan min-scan-q15 sv-scan sv-scan-q15
  2
  1  0  1  4  3  2
  2.9810608900  8.181189E-01  -2.694159E-01   1.996950E+00   3.558203E-01  -5.005609E-01
  1.6559105000 -8.998087E-01   3.612087E-01  -4.372778E+00  -6.721606E-01   1.163582E+00
  0.5982611500 -7.574322E-01   5.071312E-01   2.703389E+00  -6.440152E-01  -3.950117E-01
  0.0936308800  3.579332E-03  -1.185147E+00  -6.356122E-01  -3.424681E-02  -8.486697E-01
  2  2  2  3  2
  1.2800585700 -3.269019E-01   2.786449E-01
  0.4711043600 -5.355785E-01   5.987676E-01
  0.1456896500 -3.516243E-01  -1.089389E+00

Os (4sp3d) min-scan min-scan-q16 sv-scan sv-scan-q16
  2
  1  0  1  4  3  2
  3.1187215900  8.247987E-01  -2.598272E-01   1.906635E+00   3.478970E-01   5.143414E-01
  1.7011162000 -9.384277E-01   3.699254E-01  -4.332723E+00  -6.825708E-01  -1.389760E+00
  0.6281196700 -7.240004E-01   4.887434E-01   2.774220E+00  -6.262692E-01   1.285403E+00
  0.0991349600  3.469818E-03  -1.183435E+00  -6.542077E-01  -3.120606E-02  -1.090100E+00
  2  2  2  3  2
  1.3759032400 -3.334657E-01   1.245824E-01
  0.5169289700 -5.372441E-01   7.586387E-01
  0.1623292300 -3.362178E-01  -1.158730E+00

Ir (4sp3d) min-scan min-scan-q17 sv-scan sv-scan-q17
  2
  1  0  1  4  3  2
  3.2447603000  8.555498E-01  -2.517368E-01   1.863785E+00   3.514495E-01   5.351215E-01
  1.7842245700 -9.856108E-01   3.683077E-01  -4.314155E+00  -6.947484E-01  -1.440869E+00
  0.6647922200 -7.056619E-01   4.814161E-01   2.785019E+00  -6.190181E-01   1.313607E+00
  0.1044789900  2.973725E-03  -1.181232E+00  -6.548966E-01  -2.930746E-02  -1.085549E+00
  2  2  2  3  2
  1.4982771100 -3.292638E-01   1.009316E-01
  0.5735133400 -5.415682E-01   7.845667E-01
  0.1815905200 -3.301854E-01  -1.171826E+00

Pt (4sp3d) min-scan min-scan-q18 sv-scan sv-scan-q18
  2
  1  0  1  4  3  2
  2.6805625900  5.287017E+00   2.189596E+00  -1.613335E+01   2.259375E+00   5.151208E+00
  2.4000300500 -5.408276E+00  -2.335572E+00   1.852715E+01  -2.584561E+00  -6.220710E+00
  0.7261396000 -6.849646E-01  -4.088570E-01  -2.811133E+00  -6.454193E-01   1.431972E+00
  0.1094292400 -3.556724E-03   1.159192E+00   6.565971E-01  -2.664804E-02  -9.962266E-01
  2  2  2  3  2
  1.1854876900 -5.298958E-01   2.217679E-01
  0.4105192000 -4.749973E-01   5.157255E-01
  0.1371522200 -1.883169E-01  -1.167440E+00

Au (4sp3d) min-scan min-scan-q19 sv-scan sv-scan-q19
  2
  1  0  1  4  3  2
  2.8328527600  5.526346E+00  -2.206980E+00   1.653049E+01   2.314413E+00   5.265607E+00
  2.5447317100 -5.653578E+00   2.352771E+00  -1.892319E+01  -2.653408E+00  -6.341233E+00
  0.7701900700 -6.772047E-01   4.016746E-01   2.798555E+00  -6.359202E-01   1.430038E+00
  0.1140481900 -3.503429E-03  -1.154944E+00  -6.467081E-01  -2.540081E-02  -9.863300E-01
  2  2  2  3  2
  1.2470265300 -5.461160E-01   2.154722E-01
  0.4339041200 -4.667246E-01   5.091223E-01
  0.1460084300 -1.746601E-01  -1.172833E+00

Hg (4sp3d) min-scan min-scan-q12 sv-scan sv-scan-q12
  2
  1  0  1  4  2  1
  1.9361355000  1.474378E-01  -1.898397E-01  1.733534E-02
  0.9892017300 -4.931161E-01   6.436400E-01 -8.082138E-02
  0.1675195800  7.264529E-01  -2.125225E+00  2.635642E-01
  0.0593280800  4.771151E-01   1.850089E+00  8.067889E-01
  2  2  2  3  2
  1.4710362500 -4.747122E-01   7.417533E-02
  0.5630206200 -4.857324E-01   7.459885E-01
  0.1910074100 -2.226475E-01  -1.239361E+00

Tl (4sp3d) min-scan min-scan-q13 sv-scan sv-scan-q13
  2
  1  0  1  4  2  2
  1.5158591500  1.539939E+00  -1.513391E+00   3.340729E-01  -5.809166E-01
  1.3558663100 -1.891358E+00   1.851915E+00  -3.925714E-01   6.852873E-01
  0.1660322400  9.400822E-01  -1.707829E+00   4.850501E-01  -1.315371E+00
  0.0506121500  2.616644E-01   1.666307E+00   6.295506E-01   1.190382E+00
  2  2  2  3  2
  1.5294754800 -5.131876E-01  -1.406826E-01
  0.5982116200 -4.695842E-01   1.006066E+00
  0.2170743400 -1.788638E-01  -1.361095E+00

Pb (4sp3d) min-scan min-scan-q14 sv-scan sv-scan-q14
  2
  1  0  1  4  2  2
  1.6460530800  1.683961E+00  -1.574537E+00   3.396182E-01  -5.331158E-01
  1.4723329700 -2.061215E+00   1.926450E+00  -4.240852E-01   6.606152E-01
  0.1874312200  9.873251E-01  -1.742655E+00   5.620047E-01  -1.314703E+00
  0.0584074800  2.263902E-01   1.703482E+00   5.584848E-01   1.245786E+00
  2  2  2  3  2
  1.8413218800 -4.322917E-01  -2.291087E-01
  0.7831317400 -5.040545E-01   1.177162E+00
  0.2917527200 -2.146488E-01  -1.408383E+00

Bi (4sp3d) min-scan min-scan-q15 sv-scan sv-scan-q15
  2
  1  0  1  4  2  2
  1.7739890000  1.800233E+00  -1.691684E+00   3.609115E-01  -5.346647E-01
  1.5858553500 -2.203579E+00   2.072434E+00  -4.554886E-01   6.689586E-01
  0.2132741200  1.012987E+00  -1.824799E+00   6.035067E-01  -1.336718E+00
  0.0687960200  2.162185E-01   1.757959E+00   5.167185E-01   1.295226E+00
  2  2  2  3  2
  1.9869766000 -4.307853E-01  -2.556327E-01
  0.8707728000 -5.053544E-01   1.242145E+00
  0.3356417900 -2.038187E-01  -1.452507E+00

Po (3s3p) min-scan min-scan-q6
  3
  1  0  0  3  1
  0.6250991800 -3.842047E+00
  0.5498915900  3.930783E+00
  0.1463181000  7.505591E-01
  2  1  1  3  1
  1.1034082000 -9.741046E-02
  0.2409395100  6.378863E-01
  0.0787137800  4.864292E-01
  3  2  2  1  1
  0.2500000000  1.000000000

Po (3s3p) sv-scan sv-scan-q6
  3
  1  0  0  3  2
  0.6250991800 -3.842047E+00   1.192756E+01
  0.5498915900  3.930783E+00  -1.377463E+01
  0.1463181000  7.505591E-01   1.908794E+00
  2  1  1  3  2
  1.1034082000 -9.741046E-02   1.237590E-01
  0.2409395100  6.378863E-01  -1.340226E+00
  0.0787137800  4.864292E-01   1.317713E+00
  3  2  2  1  1
  0.2500000000  1.000000000

At (3s3p) min-scan min-scan-q7
  3
  1  0  0  3  1
  0.6477267100 -5.169620E+00
  0.5819367500  5.312715E+00
  0.1560509900  6.869875E-01
  2  1  1  3  1
  1.0948431900 -1.529446E-01
  0.2894822500  6.462958E-01
  0.0946053200  5.078024E-01
  3  2  2  1  1
  0.2500000000  1.000000000

At (3s3p) sv-scan sv-scan-q7
  3
  1  0  0  3  2
  0.6477267100 -5.169620E+00   1.499689E+01
  0.5819367500  5.312715E+00  -1.687140E+01
  0.1560509900  6.869875E-01   1.990342E+00
  2  1  1  3  2
  1.0948431900 -1.529446E-01   2.292364E-01
  0.2894822500  6.462958E-01  -1.444652E+00
  0.0946053200  5.078024E-01   1.335483E+00
  3  2  2  1  1
  0.2500000000  1.000000000

Rn (3s3p) min-scan min-scan-q8
  3
  1  0  0  3  1
  0.6913067700 -5.442919E+00
  0.6214403600  5.611550E+00
  0.1698753400  6.574221E-01
  2  1  1  3  1
  1.1417798400 -1.666300E-01
  0.3251461100  6.619896E-01
  0.1074717600  5.013081E-01
  3  2  2  1  1
  0.2500000000  1.000000000

Rn (3s3p) sv-scan sv-scan-q8
  3
  1  0  0  3  2
  0.6913067700 -5.442919E+00   1.519655E+01
  0.6214403600  5.611550E+00  -1.710963E+01
  0.1698753400  6.574221E-01   2.042581E+00
  2  1  1  3  2
  1.1417798400 -1.666300E-01   2.540108E-01
  0.3251461100  6.619896E-01  -1.484305E+00
  0.1074717600  5.013081E-01   1.356468E+00
  3  2  2  1  1
  0.2500000000  1.000000000



#
# MINBAS for
# HGH Pseudopotentials optimized for PBE0
#
#  &METHOD
#     METHOD_TYPE  KOHN-SHAM
#     RELATIVISTIC DKH(3)
#     &XC
#       &XC_FUNCTIONAL PBE0
#       &END XC_FUNCTIONAL
#     &END XC
#  &END METHOD
#
#  &POTENTIAL
#    CONFINEMENT_TYPE  BARRIER
#    CONFINEMENT 200. 4.0 12.0 
#  &END POTENTIAL
#
#  &POWELL
#      WEIGHT_PSIR0 0.0
#      TARGET_POT_SEMICORE      [eV]      0.003000
#      TARGET_POT_VALENCE       [eV]      0.000300
#      TARGET_POT_VIRTUAL       [eV]      0.003000
#  &END
#
#   Pseudopotential form
#
#     Atom    Zcore   Zval    NC    NPS  NPP  NPD  NPF
#   1  H          0      1     2      0    0    0    0
#   2  He         0      2     2      0    0    0    0
#   3  Li         2      1     2      1    1    0    0
#   4  Be         2      2     2      1    1    0    0
#   5  B          2      3     2      1    0    0    0
#   6  C          2      4     2      1    0    0    0
#   7  N          2      5     2      1    0    0    0
#   8  O          2      6     2      1    0    0    0
#   9  F          2      7     2      1    0    0    0
#  10  Ne         2      8     3      2    1    0    0
#  11  Na         2      9     2      1    1    0    0
#  12  Mg         2     10     2      1    1    0    0
#  13  Al        10      3     1      2    1    0    0
#  14  Si        10      4     1      2    1    0    0
#  15  P         10      5     1      2    1    0    0
#  16  S         10      6     1      2    1    0    0
#  17  Cl        10      7     1      2    1    0    0
#  18  Ar        10      8     1      2    1    0    0
#  19  K         10      9     2      2    2    0    0
#  20  Ca        10     10     2      2    2    1    0
#  21  Sc        10     11     2      2    2    1    0
#  22  Ti        10     12     2      2    2    1    0
#  23  V         10     13     2      2    2    1    0
#  24  Cr        10     14     2      2    2    1    0
#  25  Mn        10     15     2      2    2    1    0
#  26  Fe        10     16     2      2    2    1    0
#  27  Co        10     17     2      2    2    1    0
#  28  Ni        10     18     2      2    2    1    0
#  29  Cu        10     19     2      2    2    1    0
#  30  Zn        10     20     2      2    2    1    0
#  31  Ga        18     13     0      3    2    1    0
#  32  Ge        28      4     0      3    2    1    0
#  33  As        28      5     0      3    2    1    0
#  34  Se        28      6     2      3    2    1    0
#  35  Br        28      7     1      3    2    1    0
#  36  Kr        28      8     0      3    2    1    0
#  37  Rb        28      9     2      2    2    1    0
#  38  Sr        28     10     2      2    2    1    0
#  39  Y         28     11     3      2    2    2    0
#  40  Zr        28     12     2      2    2    2    0
#  41  Nb        28     13     2      2    2    2    0
#  42  Mo        28     14     2      2    2    2    0
#  43  Tc        28     15     2      2    2    2    0
#  44  Ru        28     16     2      2    2    2    0
#  45  Rh        28     17     2      2    2    2    0
#  46  Pd        28     18     2      2    2    2    0
#  47  Ag        28     19     3      2    2    2    0
#  48  Cd        28     20     3      2    2    2    0
#  49  In        36     13     1      3    2    2    0
#  50  Sn        46      4     1      3    2    1    0
#  51  Sb        46      5     1      3    2    1    0
#  52  Te        46      6     1      3    2    1    0
#  53  I         46      7     1      3    2    1    0
#  54  Xe        46      8     1      3    2    1    0
#  55  Cs        46      9     2      2    2    1    1
#  56  Ba        46     10     2      2    2    1    1
#  57  La        46     11     3      2    2    1    1
#  58  Ce        46     12     2      2    2    1    1
#  59  Pr        46     13     2      2    2    1    1
#  60  Nd        46     14     2      2    2    1    1
#  61  Pm        46     15     2      2    2    1    1
#  62  Sm        46     16     2      2    2    1    1
#  63  Eu        46     17     2      2    2    1    1
#  64  Gd        46     18     2      2    2    1    1
#  65  Tb        46     19     2      2    2    1    1
#  66  Dy        46     20     2      2    2    1    1
#  67  Ho        46     21     2      2    2    1    1
#  68  Er        46     22     2      2    2    1    1
#  69  Tm        46     23     2      2    2    1    1
#  70  Yb        46     24     2      2    2    1    1
#  71  Lu        46     25     2      2    2    1    1
#  72  Hf        60     12     2      3    2    2    0
#  73  Ta        60     13     2      3    2    2    0
#  74  W         60     14     2      3    2    2    0
#  75  Re        60     15     2      3    2    2    0
#  76  Os        60     16     2      3    2    2    0
#  77  Ir        60     17     2      3    2    2    0
#  78  Pt        60     18     2      3    2    2    0
#  79  Au        60     19     2      3    3    2    0
#  80  Hg        68     12     1      2    2    2    0
#  81  Tl        68     13     1      2    2    2    0
#  82  Pb        68     14     1      2    2    2    0
#  83  Bi        68     15     1      2    2    2    0
#  84  Po        78      6     1      3    2    1    0
#  85  At        78      7     1      3    2    1    0
#  86  Rn        78      8     1      3    2    1    0
#
######################################################
#
#   BASIS SET Structure
#
#     Atom    Primitives   min-bas   sv-bas   pol-bas     
#   1  H      3s           1s        2s         
#   2  He     3s           1s        2s+      1p
#   3  Li     3s           1s+       2s+      1p     
#   4  Be     3s           1s+       2s+      1p
#   5  B      3s3p         1s1p      2s2p+    1d
#   6  C      3s3p         1s1p      2s2p+    1d
#   7  N      3s3p         1s1p      2s2p+    1d
#   8  O      3s3p         1s1p      2s2p+    1d
#   9  F      3s3p         1s1p      2s2p+    1d
#  10  Ne     3s3p         1s1p      2s2p+    1d
#  11  Na     6s3p         2s1p+     3s1p+    1p
#  12  Mg     6s3p         2s1p+     3s1p+    1p
#  13  Al     3s3p         1s1p+     2s2p+    1d
#  14  Si     3s3p         1s1p+     2s2p+    1d
#  15  P      3s3p         1s1p+     2s2p+    1d
#  16  S      3s3p         1s1p+     2s2p+    1d
#  17  Cl     3s3p         1s1p+     2s2p+    1d
#  18  Ar     3s3p         1s1p+     2s2p+    1d
#  19  K      5s3p         3s1p      3s2p
#  20  Ca     6s3p         3s1p      3s2p
#  21  Sc     5spd         3s1p2d    3s2p2d+  1p
#  22  Ti     5spd         3s1p2d    3s2p2d+  1p
#  23  V      5spd         3s1p2d    3s2p2d+  1p
#  24  Cr     5spd         3s1p2d    3s2p2d+  1p
#  25  Mn     5spd         3s1p2d    3s2p2d+  1p
#  26  Fe     5spd         3s1p2d    3s2p2d+  1p
#  27  Co     5spd         3s1p2d    3s2p2d+  1p
#  28  Ni     5spd         3s1p2d    3s2p2d+  1p
#  29  Cu     5spd         3s1p2d    3s2p2d+  1p
#  30  Zn     5spd         3s1p2d    3s2p2d+  1p
#  31  Ga     5spd         2s2p1d    2s2p2d
#  32  Ge     3s3p         1s1p+     2s2p+    1d
#  33  As     3s3p         1s1p+     2s2p+    1d
#  34  Se     3s3p         1s1p+     2s2p+    1d
#  35  Br     3s3p         1s1p+     2s2p+    1d
#  36  Kr     3s3p         1s1p+     2s2p+    1d
#  37  Rb     5s3p         3s1p      3s2p
#  38  Sr     6s3p         3s1p      3s2p
#  39  Y      4sp3d        3s2p2d    ----
#  40  Zr     4sp3d        3s2p2d    ----
#  41  Nb     4sp3d        3s2p2d    ----
#  42  Mo     4sp3d        3s2p2d    ----
#  43  Tc     4sp3d        3s2p2d    ----
#  44  Ru     4sp3d        3s2p2d    ----
#  45  Rh     4sp3d        3s2p2d    ----
#  46  Pd     4sp3d        3s2p2d    ----
#  47  Ag     4sp3d        3s2p2d    ----
#  48  Cd     4sp3d        3s2p2d    ----
#  49  In     4sp3d        2s2p2d    ----
#  50  Sn     3s3p         1s1p+     2s2p+    1d
#  51  Sb     3s3p         1s1p+     2s2p+    1d
#  52  Te     3s3p         1s1p+     2s2p+    1d
#  53  I      3s3p         1s1p+     2s2p+    1d
#  54  Xe     3s3p         1s1p+     2s2p+    1d
#  55  Cs     5s3p         3s1p      3s2p
#  56  Ba     6s3p         3s1p      3s2p
#  57  La     4sp4df       3s2p1d1f  3s2p2d2f
#  58  Ce     4sp4df       3s2p1d1f  3s2p2d2f
#  59  Pr     4sp4df       3s2p1d1f  3s2p2d2f
#  60  Nd     4sp4df       3s2p1d1f  3s2p2d2f
#  61  Pm     4sp4df       3s2p1d1f  3s2p2d2f
#  62  Sm     4sp4df       3s2p1d1f  3s2p2d2f
#  63  Eu     4sp4df       3s2p1d1f  3s2p2d2f
#  64  Gd     4sp4df       3s2p1d1f  3s2p2d2f
#  65  Tb     4sp4df       3s2p1d1f  3s2p2d2f
#  66  Dy     4sp4df       3s2p1d1f  3s2p2d2f
#  67  Ho     4sp4df       3s2p1d1f  3s2p2d2f
#  68  Er     4sp4df       3s2p1d1f  3s2p2d2f
#  69  Tm     4sp4df       3s2p1d1f  3s2p2d2f
#  70  Yb     4sp4df       3s2p1d1f  3s2p2d2f
#  71  Lu     4sp4df       3s2p1d1f  3s2p2d2f
#  72  Hf     4sp3d        3s2p2d    ---
#  73  Ta     4sp3d        3s2p2d    ---
#  74  W      4sp3d        3s2p2d    ---
#  75  Re     4sp3d        3s2p2d    ---
#  76  Os     4sp3d        3s2p2d    ---
#  77  Ir     4sp3d        3s2p2d    ---
#  78  Pt     4sp3d        3s2p2d    ---
#  79  Au     4sp3d        3s2p2d    ---
#  80  Hg     4sp3d        2s2p2d    ---
#  81  Tl     4sp3d        2s2p2d    ---
#  82  Pb     4sp3d        2s2p2d    ---
#  83  Bi     4sp3d        2s2p2d    ---
#  84  Po     3s3p         1s1p+     2s2p+    1d
#  85  At     3s3p         1s1p+     2s2p+    1d
#  86  Rn     3s3p         1s1p+     2s2p+    1d
#
######################################################

H (3s) min-pbe0 min-pbe0-q1
  1
  1  0  0  3  1
  7.2406759800  3.517507E-02
  1.3214493300  2.043617E-01
  0.2349263800  8.514591E-01
  
H (3s) sv-pbe0 sv-pbe0-q1
  1
  1  0  0  3  2
  7.2406759800  3.517507E-02 -2.324057E-03
  1.3214493300  2.043617E-01 -1.233600E+00
  0.2349263800  8.514591E-01  9.321799E-01

He (3s) min-pbe0 min-pbe0-q2
  1
  1  0  0  3  1
  7.9534795700  1.317506E-01
  1.4767919900  4.568539E-01
  0.3133690700  5.666162E-01

He (3s) sv-pbe0 sv-pbe0-q2
  2
  1  0  0  3  2
  7.9534795700  1.317506E-01 -1.446689E-01
  1.4767919900  4.568539E-01 -1.075299E+00
  0.3133690700  5.666162E-01  1.179573E+00
  2  1  1  1  1
   1.00000000      1.0000000

Li (3s) min-pbe0 min-pbe0-q1
  2
  1  0  0  3  1
  0.7475198500 -1.228049E-01  
  0.0596451700  6.935788E-01 
  0.0211631600  3.836316E-01
  2  1  1  2  1
  0.4500000000   0.3710000000
  0.1000000000   1.0000000000

Li (3s) sv-pbe0 sv-pbe0-q1
  2
  1  0  0  3  2
  0.7475198500 -1.228049E-01  1.195077E-01
  0.0596451700  6.935788E-01 -1.725094E+00
  0.0211631600  3.836316E-01  1.755133E+00
  2  1  1  2  1
  0.4500000000   0.3710000000
  0.1000000000   1.0000000000

Be (3s) min-pbe0 min-pbe0-q2
  1
  1  0  0  3  1
  1.5526737300 -1.522395E-01
  0.1632842600  6.195119E-01
  0.0550099200  4.790779E-01

Be (3s) sv-pbe0 sv-pbe0-q2
  1
  1  0  0  3  2
  1.5526737300 -1.522395E-01  1.715133E-01
  0.1632842600  6.195119E-01 -1.732859E+00
  0.0550099200  4.790779E-01  1.675842E+00

B (3s3p) min-pbe0 min-pbe0-q3
  2
  1  0  0  3  1
  2.8376314500 -1.421328E-01
  0.2854305100  6.418523E-01
  0.0933722100  4.550812E-01
  1  1  1  3  1
  1.9480249700  1.418569E-01
  0.4074582500  4.888180E-01
  0.0921010400  5.898083E-01

B (3s3p) sv-pbe0 sv-pbe0-q3
  3
  1  0  0  3  2
  2.8376314500 -1.421328E-01  1.636054E-01
  0.2854305100  6.418523E-01 -1.675583E+00
  0.0933722100  4.550812E-01  1.643319E+00
  1  1  1  3  2
  1.9480249700  1.418569E-01 -1.614872E-01
  0.4074582500  4.888180E-01 -9.087500E-01
  0.0921010400  5.898083E-01  1.000658E+00
  3  2  2  1  1
  0.500000000  1.000000000

C (3s3p) min-pbe0 min-pbe0-q4
  2
  1  0  0  3  1
  4.4355529600 -1.434887E-01 
  0.4522658600  6.312505E-01
  0.1438930100  4.689159E-01
  1  1  1  3  1
  3.0409927700  1.577671E-01
  0.6690063900  4.948004E-01
  0.1517789300  5.720666E-01

C (3s3p) sv-pbe0 sv-pbe0-q4
  3
  1  0  0  3  2
  4.4355529600 -1.434887E-01  1.648252E-01
  0.4522658600  6.312505E-01 -1.646592E+00
  0.1438930100  4.689159E-01  1.606066E+00
  1  1  1  3  2
  3.0409927700  1.577671E-01 -1.715304E-01
  0.6690063900  4.948004E-01 -8.853903E-01
  0.1517789300  5.720666E-01  1.010165E+00
  3  2  2  1  1
  0.800000000  1.000000000

N (3s3p) min-pbe0 min-pbe0-q5
  2
  1  0  0  3  1
  6.2992827400 -1.445985E-01
  0.6514971300  6.249079E-01
  0.2027880100  4.779504E-01
  1  1  1  3  1
  4.4423678000  1.641879E-01
  0.9970630600  4.975264E-01
  0.2250142200  5.652968E-01

N (3s3p) sv-pbe0 sv-pbe0-q5
  3
  1  0  0  3  2
  6.2992827400 -1.445985E-01  1.664976E-01
  0.6514971300  6.249079E-01 -1.625039E+00
  0.2027880100  4.779504E-01  1.578601E+00
  1  1  1  3  2
  4.4423678000  1.641879E-01 -1.746455E-01
  0.9970630600  4.975264E-01 -8.736810E-01
  0.2250142200  5.652968E-01  1.011320E+00
  3  2  2  1  1
  1.000000000  1.000000000

O (3s3p) min-pbe0 min-pbe0-q6
  2
  1  0  0  3  1
  8.5324154900 -1.443972E-01
  0.8843329800  6.199397E-01
  0.2703690000  4.845087E-01
  1  1  1  3  1
  6.0650426900  1.701251E-01
  1.3803355300  4.995777E-01
  0.3101097900  5.595573E-01

O (3s3p) sv-pbe0 sv-pbe0-q6
  3
  1  0  0  3  2
  8.5324154900 -1.443972E-01  1.667547E-01
  0.8843329800  6.199397E-01 -1.606442E+00
  0.2703690000  4.845087E-01  1.556657E+00
  1  1  1  3  2
  6.0650426900  1.701251E-01 -1.779207E-01
  1.3803355300  4.995777E-01 -8.632786E-01
  0.3101097900  5.595573E-01  1.012165E+00
  3  2  2  1  1
  1.200000000  1.000000000

F (3s3p) min-pbe0 min-pbe0-q7
  2
  1  0  0  3  1
 10.9326996600 -1.447300E-01
  1.1481375600  6.168193E-01
  0.3461359900  4.894243E-01
  1  1  1  3  1
  8.0541752500  1.703570E-01
  1.8385912700  5.005346E-01
  0.4100623400  5.593600E-01

F (3s3p) sv-pbe0 sv-pbe0-q7
  3
  1  0  0  3  2
 10.9326996600 -1.447300E-01  1.678834E-01
  1.1481375600  6.168193E-01 -1.593808E+00
  0.3461359900  4.894243E-01  1.540432E+00
  1  1  1  3  2
  8.0541752500  1.703570E-01 -1.769487E-01
  1.8385912700  5.005346E-01 -8.604479E-01
  0.4100623400  5.593600E-01  1.009850E+00
  3  2  2  1  1
  1.400000000  1.000000000

Ne (3s3p) min-pbe0 min-pbe0-q8
  2
  1  0  0  3  1
 13.9465342600 -1.429326E-01
  1.4473449300  6.136792E-01
  0.4308555600  4.928056E-01
  1  1  1  3  1
 10.2617785900  1.743761E-01
  2.3521442400  5.011417E-01
  0.5218955800  5.568504E-01

Ne (3s3p) sv-pbe0 sv-pbe0-q8
  3
  1  0  0  3  2
 13.9465342600 -1.429326E-01  1.651796E-01
  1.4473449300  6.136792E-01 -1.578366E+00
  0.4308555600  4.928056E-01  1.525225E+00
  1  1  1  3  2
 10.2617785900  1.743761E-01 -1.793706E-01
  2.3521442400  5.011417E-01 -8.535436E-01
  0.5218955800  5.568504E-01  1.008988E+00
  3  2  2  1  1
  1.880000000  1.000000000

Na (5s3p) min-pbe0 min-pbe0-q9
  3
  1  0  0  5  2
 15.9956736800  1.609143E-01  2.778297E-02 
  2.1176548200 -4.811741E-01 -9.484737E-02 
  0.3492284400 -1.364597E-01 -5.866689E-02 
  0.8301904300 -4.999695E-01 -1.587378E-01 
  0.0416918900 -8.076686E-04  1.047904E+00 
  1  1  1  3  1
 13.3382091300  1.791368E-01
  3.1993736800  5.004022E-01
  0.7698134300  5.394195E-01
  3  1  1  1  1
  0.0520000000  1.0000000

Na (5s3p) sv-pbe0 sv-pbe0-q9
  3
  1  0  0  5  3
 15.9956736800  1.609143E-01  2.778297E-02 -5.752645E-02
  2.1176548200 -4.811741E-01 -9.484737E-02 -8.375571E-02
  0.3492284400 -1.364597E-01 -5.866689E-02 -2.467278E+00
  0.8301904300 -4.999695E-01 -1.587378E-01  1.993139E+00
  0.0416918900 -8.076686E-04  1.047904E+00  6.369593E-01
  1  1  1  3  1
 13.3382091300  1.791368E-01
  3.1993736800  5.004022E-01
  0.7698134300  5.394195E-01
  3  1  1  1  1
  0.0520000000  1.0000000

Mg (6s3p) min-pbe0 min-pbe0-q10
  3
  1  0  0  6  2
 19.6381093000  1.669413E-01  3.730695E-02
  2.5381973200 -5.142629E-01 -1.429746E-01
  0.9957301400 -5.081618E-01 -2.051047E-01
  0.3894914300 -9.469315E-02 -1.037964E-01
  0.1239499900  3.548894E-03  5.807924E-01
  0.0460788100 -1.088937E-03  5.765598E-01
  1  1  1  3  1
 16.8805972600  1.718384E-01
  4.1831630800  5.015703E-01
  1.0586109700  5.329930E-01
  3  1  1  1  1
  0.18914796195      1.0000000000

Mg (6s3p) sv-pbe0 sv-pbe0-q10
  3
  1  0  0  6  3
 19.6381093000  1.669413E-01  3.730695E-02 -4.038552E-02
  2.5381973200 -5.142629E-01 -1.429746E-01  1.696573E-01
  0.9957301400 -5.081618E-01 -2.051047E-01  1.925036E-01
  0.3894914300 -9.469315E-02 -1.037964E-01  2.854465E-01
  0.1239499900  3.548894E-03  5.807924E-01 -2.246118E+00
  0.0460788100 -1.088937E-03  5.765598E-01  1.908087E+00
  1  1  1  3  2
 16.8805972600  1.718384E-01 -1.691375E-01
  4.1831630800  5.015703E-01 -9.064832E-01
  1.0586109700  5.329930E-01  1.075930E+00
  3  1  1  1  1
  0.18914796195      1.0000000000

Al (3s3p) min-pbe0 min-pbe0-q3
  3
  1  0  0  3  1
  1.0089448900 -2.298532E-01
  0.1660426400  7.241797E-01
  0.0608459000  4.165589E-01
  1  1  1  3  1
  0.3072767200  8.605374E-02
  0.1660426400  4.535026E-01
  0.0499953000  5.785180E-01
  3  2  2  1  1
  0.30000000000      1.0000000000

Al (3s3p) sv-pbe0 sv-pbe0-q3
  3
  1  0  0  3  2
  1.0089448900 -2.298532E-01  2.802487E-01
  0.1660426400  7.241797E-01 -1.979069E+00
  0.0608459000  4.165589E-01  1.862557E+00
  1  1  1  3  2
  0.3072767200  8.605374E-02  4.895977E-02
  0.1660426400  4.535026E-01 -1.255701E+00
  0.0499953000  5.785180E-01  1.215119E+00
  3  2  2  1  1
  0.30000000000      1.0000000000

Si (3s3p) min-pbe0 min-pbe0-q4
  3
  1  0  0  3  1
  1.3051534300 -2.619230E-01
  0.2410466700  7.080247E-01
  0.0890476500  4.523526E-01
  1  1  1  3  1
  0.3159398800  3.877218E-01
  0.1265927800  4.498773E-01
  0.0498683300  2.923492E-01
  3  2  2  1  1
  0.35000000000      1.0000000000

Si (3s3p) sv-pbe0 sv-pbe0-q4
  3
  1  0  0  3  2
  1.3051534300 -2.619230E-01  3.409219E-01
  0.2410466700  7.080247E-01 -2.074031E+00
  0.0890476500  4.523526E-01  1.889988E+00
  1  1  1  3  2
  0.3159398800  3.877218E-01 -4.440609E-01
  0.1265927800  4.498773E-01 -6.601528E-01
  0.0498683300  2.923492E-01  1.294303E+00
  3  2  2  1  1
  0.35000000000      1.0000000000

P (3s3p) min-pbe0 min-pbe0-q5
  3
  1  0  0  3  1
  1.5897731000 -2.835752E-01 
  0.3257025900  7.045112E-01
  0.1191881900  4.738933E-01
  1  1  1  3  1
  0.4114425900 -4.459937E-01
  0.1499312600 -4.905882E-01
  0.0552185200 -1.949639E-01
  3  2  2  1  1
  0.45000000000      1.0000000000

P (3s3p) sv-pbe0 sv-pbe0-q5
  3
  1  0  0  3  2
  1.5897731000 -2.835752E-01  3.850908E-01
  0.3257025900  7.045112E-01 -2.121962E+00
  0.1191881900  4.738933E-01  1.886598E+00
  1  1  1  3  2
  0.4114425900 -4.459937E-01  5.082560E-01
  0.1499312600 -4.905882E-01  4.028117E-01
  0.0552185200 -1.949639E-01 -1.174524E+00
  3  2  2  1  1
  0.45000000000      1.0000000000

S (3s3p) min-pbe0 min-pbe0-q6
  3
  1  0  0  3  1
  1.9053518100 -3.049024E-01
  0.4191667200  7.037646E-01
  0.1518206800  4.905891E-01
  1  1  1  3  1
  0.5140767900 -4.819616E-01
  0.1830232900 -4.855725E-01
  0.0666257000 -1.613884E-01
  3  2  2  1  1
  0.55000000000      1.0000000000

S (3s3p) sv-pbe0 sv-pbe0-q6
  3
  1  0  0  3  2
  1.9053518100 -3.049024E-01  4.257409E-01
  0.4191667200  7.037646E-01 -2.159159E+00
  0.1518206800  4.905891E-01  1.879776E+00
  1  1  1  3  2
  0.5140767900 -4.819616E-01  5.379044E-01
  0.1830232900 -4.855725E-01  3.007365E-01
  0.0666257000 -1.613884E-01 -1.131953E+00
  3  2  2  1  1
  0.55000000000      1.0000000000

Cl (3s3p) min-pbe0 min-pbe0-q7
  3
  1  0  0  3  1
  2.2500115700 -3.192364E-01
  0.5195788900  7.058250E-01
  0.1863529200  5.001530E-01
  1  1  1  3  1
  0.6329559100 -5.019930E-01
  0.2235188900 -4.783163E-01
  0.0812823600 -1.466205E-01
  3  2  2  1  1
  0.65000000000      1.0000000000

Cl (3s3p) sv-pbe0 sv-pbe0-q7
  3
  1  0  0  3  2
  2.2500115700 -3.192364E-01  4.530782E-01
  0.5195788900  7.058250E-01 -2.179904E+00
  0.1863529200  5.001530E-01  1.870741E+00
  1  1  1  3  2
  0.6329559100 -5.019930E-01  5.494824E-01
  0.2235188900 -4.783163E-01  2.571792E-01
  0.0812823600 -1.466205E-01 -1.115137E+00
  3  2  2  1  1
  0.65000000000      1.0000000000

Ar (3s3p) min-pbe0 min-pbe0-q8
  3
  1  0  0  3  1
  2.6421869400 -3.257162E-01
  0.6245725100  7.096802E-01
  0.2222339400  5.023000E-01
  1  1  1  3  1
  0.7767706900 -5.073567E-01
  0.2744068700 -4.754054E-01
  0.0996198300 -1.435738E-01
  3  2  2  1  1
  0.69600000000      1.0000000000

Ar (3s3p) sv-pbe0 sv-pbe0-q8
  3
  1  0  0  3  2
  2.6421869400 -3.257162E-01  4.627321E-01
  0.6245725100  7.096802E-01 -2.181093E+00
  0.2222339400  5.023000E-01  1.860681E+00
  1  1  1  3  2
  0.7767706900 -5.073567E-01  5.451176E-01
  0.2744068700 -4.754054E-01  2.565816E-01
  0.0996198300 -1.435738E-01 -1.116543E+00
  3  2  2  1  1
  0.69600000000      1.0000000000

K (5s3p) min-pbe0 min-pbe0-q9
  2
  1  0  0  5  3
  5.4472833400 -1.619441E-01 -2.933759E-02  3.323822E-01
  3.7403481100  4.701785E-01  1.055934E-01 -7.398448E-01
  0.6675842400 -8.067676E-01 -2.645733E-01  2.363780E+00
  0.2502350900 -3.849836E-01 -2.796968E-01 -2.432766E+00
  0.0377253800 -1.402046E-03  1.130342E+00  6.519145E-01
  1  1  1  3  1
  0.9041229000 -5.659208E-01
  0.3264337200 -4.549708E-01
  0.1189313200 -8.471421E-02

K (5s3p) sv-pbe0 sv-pbe0-q9
  2
  1  0  0  5  3
  5.4472833400 -1.619441E-01 -2.933759E-02  3.323822E-01
  3.7403481100  4.701785E-01  1.055934E-01 -7.398448E-01
  0.6675842400 -8.067676E-01 -2.645733E-01  2.363780E+00
  0.2502350900 -3.849836E-01 -2.796968E-01 -2.432766E+00
  0.0377253800 -1.402046E-03  1.130342E+00  6.519145E-01
  1  1  1  3  2
  0.9041229000 -5.659208E-01  1.351960E-01
  0.3264337200 -4.549708E-01  7.713217E-01
  0.1189313200 -8.471421E-02 -1.393039E+00

Ca (6s3p) min-pbe0 min-pbe0-q10
  2
  1  0  0  6  3
  7.5609289600 -6.497846E-02 -1.108922E-02  8.657593E-04
  3.8572759900  4.133432E-01  1.110511E-01 -1.085962E-01
  0.8742962800 -7.320737E-01 -2.889030E-01  2.304433E-01
  0.3659860000 -4.762875E-01 -3.102982E-01  9.968352E-01
  0.1037621200 -1.815879E-02  1.911877E-01 -3.114265E+00
  0.0439832700  2.167045E-03  9.622720E-01  2.239904E+00
  1  1  1  3  1
  6.8247347600 -2.936883E-02
  1.1560962900  5.930228E-01
  0.3781305000  5.037767E-01

Ca (6s3p) sv-pbe0 sv-pbe0-q10
  2
  1  0  0  6  3
  7.5609289600 -6.497846E-02 -1.108922E-02  8.657593E-04
  3.8572759900  4.133432E-01  1.110511E-01 -1.085962E-01
  0.8742962800 -7.320737E-01 -2.889030E-01  2.304433E-01
  0.3659860000 -4.762875E-01 -3.102982E-01  9.968352E-01
  0.1037621200 -1.815879E-02  1.911877E-01 -3.114265E+00
  0.0439832700  2.167045E-03  9.622720E-01  2.239904E+00
  1  1  1  3  2
  6.8247347600 -2.936883E-02  2.901753E-02
  1.1560962900  5.930228E-01 -1.272701E+00
  0.3781305000  5.037767E-01  1.290780E+00

Sc (5spd) min-pbe0 min-pbe0-q11
  1
  1  0  2  5  3 1 2
  7.0524601500  4.978207E-02  1.216838E-02  8.568443E-02  1.166912E-01 -5.534182E-02  3.983531E-02
  3.0867583500  3.966898E-01  1.177384E-01 -7.641442E-01 -1.637445E-01 -2.058999E-01  1.501443E-01
  1.0694704900 -8.913857E-01 -3.734005E-01  2.622749E+00 -6.467131E-01 -3.460201E-01  2.648239E-01
  0.3644832400 -4.368152E-01 -2.821125E-01 -2.454705E+00 -3.542514E-01 -4.624811E-01  2.402562E-01
  0.0635910600  6.334257E-03  1.147975E+00  7.602422E-01 -7.599658E-03 -3.800295E-01 -9.289719E-01

Sc (5spd) sv-pbe0 sv-pbe0-q11
  2
  1  0  2  5  3 2 2
  7.0524601500  4.978207E-02  1.216838E-02  8.568443E-02  1.166912E-01 -8.113795E-02 -5.534182E-02  3.983531E-02
  3.0867583500  3.966898E-01  1.177384E-01 -7.641442E-01 -1.637445E-01  9.608935E-02 -2.058999E-01  1.501443E-01
  1.0694704900 -8.913857E-01 -3.734005E-01  2.622749E+00 -6.467131E-01  9.710366E-01 -3.460201E-01  2.648239E-01
  0.3644832400 -4.368152E-01 -2.821125E-01 -2.454705E+00 -3.542514E-01 -1.040951E+00 -4.624811E-01  2.402562E-01
  0.0635910600  6.334257E-03  1.147975E+00  7.602422E-01 -7.599658E-03 -3.737336E-01 -3.800295E-01 -9.289719E-01
  3  1  1  1  1
  0.089748    1.000000

Ti (5spd) min-pbe0 min-pbe0-q12
  1
  1  0  2  5  3 1 2
  6.0298123800  1.707843E-01  4.603926E-02  1.634700E-02  1.702996E-01 -1.134571E-01  7.116158E-02
  2.7557100100  2.588259E-01  8.740835E-02 -6.760819E-01 -2.512921E-01 -2.103852E-01  1.340826E-01
  1.0472827500 -1.007570E+00 -4.515930E-01  2.518823E+00 -6.724391E-01 -3.904649E-01  2.617430E-01
  0.3468689400 -2.975214E-01 -1.946430E-01 -2.567117E+00 -2.794785E-01 -4.426461E-01  1.119193E-01
  0.0703606900  6.850109E-03  1.143112E+00  9.267079E-01  2.854472E-03 -2.595041E-01 -9.499541E-01

Ti (5spd) sv-pbe0 sv-pbe0-q12
  2
  1  0  2  5  3 2 2
  6.0298123800  1.707843E-01  4.603926E-02  1.634700E-02  1.702996E-01 -1.287477E-01 -1.134571E-01  7.116158E-02
  2.7557100100  2.588259E-01  8.740835E-02 -6.760819E-01 -2.512921E-01  2.185503E-01 -2.103852E-01  1.340826E-01
  1.0472827500 -1.007570E+00 -4.515930E-01  2.518823E+00 -6.724391E-01  8.629272E-01 -3.904649E-01  2.617430E-01
  0.3468689400 -2.975214E-01 -1.946430E-01 -2.567117E+00 -2.794785E-01 -1.114569E+00 -4.426461E-01  1.119193E-01
  0.0703606900  6.850109E-03  1.143112E+00  9.267079E-01  2.854472E-03 -2.491678E-01 -2.595041E-01 -9.499541E-01
  3  1  1  1  1
  0.101561    1.000000

V (5spd) min-pbe0 min-pbe0-q13
  1
  1  0  2  5  3 1 2
  6.4375846500  2.123600E-01  5.379469E-02 -7.658951E-03  1.596939E-01 -1.239497E-01  7.163918E-02
  2.9404501000  1.755668E-01  6.292452E-02 -5.529444E-01 -3.042441E-01 -2.461990E-01  1.440861E-01
  1.1085458600 -1.017190E+00 -4.622272E-01  2.338402E+00 -6.646560E-01 -4.117302E-01  2.587985E-01
  0.3597368500 -2.467491E-01 -1.486919E-01 -2.539581E+00 -2.389444E-01 -4.195559E-01  9.968195E-03
  0.0760237600  6.995106E-03  1.130563E+00  9.785358E-01  5.942034E-03 -1.951103E-01 -9.374631E-01

V (5spd) sv-pbe0 sv-pbe0-q13
  2
  1  0  2  5  3 2 2
  6.4375846500  2.123600E-01  5.379469E-02 -7.658951E-03  1.596939E-01 -1.222331E-01 -1.239497E-01  7.163918E-02
  2.9404501000  1.755668E-01  6.292452E-02 -5.529444E-01 -3.042441E-01  2.941940E-01 -2.461990E-01  1.440861E-01
  1.1085458600 -1.017190E+00 -4.622272E-01  2.338402E+00 -6.646560E-01  7.479472E-01 -4.117302E-01  2.587985E-01
  0.3597368500 -2.467491E-01 -1.486919E-01 -2.539581E+00 -2.389444E-01 -1.131684E+00 -4.195559E-01  9.968195E-03
  0.0760237600  6.995106E-03  1.130563E+00  9.785358E-01  5.942034E-03 -1.855162E-01 -1.951103E-01 -9.374631E-01
  3  1  1  1  1
  0.111248    1.000000

Cr (5spd) min-pbe0 min-pbe0-q14
  1
  1  0  2  5  3 1 2
  6.8799208300 -2.432228E-01  6.012196E-02  1.110840E-02  1.176100E-01 -1.726382E-01  5.472074E-02
  2.7836693000 -1.239490E-01  4.055134E-02 -6.797896E-01 -3.239169E-01 -2.629723E-01  6.500626E-02
  1.1561471700  1.040080E+00 -4.746118E-01  2.486522E+00 -6.368987E-01 -3.943741E-01  1.511985E-01
  0.3804787000  1.982904E-01 -9.859137E-02 -2.632926E+00 -2.127395E-01 -4.027436E-01  1.918512E-01
  0.0806073100 -2.606159E-03  1.111777E+00  1.020348E+00  6.303072E-03 -1.565082E-01 -1.023279E+00

Cr (5spd) sv-pbe0 sv-pbe0-q14
  2
  1  0  2  5  3 2 2
  6.8799208300 -2.432228E-01  6.012196E-02  1.110840E-02  1.176100E-01  2.755284E-01 -1.726382E-01  5.472074E-02
  2.7836693000 -1.239490E-01  4.055134E-02 -6.797896E-01 -3.239169E-01 -1.261040E+00 -2.629723E-01  6.500626E-02
  1.1561471700  1.040080E+00 -4.746118E-01  2.486522E+00 -6.368987E-01  5.211587E-01 -3.943741E-01  1.511985E-01
  0.3804787000  1.982904E-01 -9.859137E-02 -2.632926E+00 -2.127395E-01  7.598643E-01 -4.027436E-01  1.918512E-01
  0.0806073100 -2.606159E-03  1.111777E+00  1.020348E+00  6.303072E-03 -7.948604E-01 -1.565082E-01 -1.023279E+00
  3  1  1  1  1
  0.120675    1.000000

Mn (5spd) min-pbe0 min-pbe0-q15
  1
  1  0  2  5  3 1 2
  7.0165522500 -3.146671E-01  7.654531E-02 -2.875075E-02 -1.034550E-01 -1.907522E-01  5.377060E-02
  2.8720924200  6.882728E-02 -8.457158E-03 -4.870610E-01  4.053303E-01 -2.981312E-01  5.541274E-02
  1.1512927800  9.764967E-01 -4.712901E-01  2.233694E+00  6.014571E-01 -4.024459E-01  1.629958E-01
  0.3774314600  1.398392E-01 -2.523830E-02 -2.607127E+00  1.646759E-01 -3.648856E-01  1.274663E-01
  0.0827527100 -1.192710E-03  1.083775E+00  1.080596E+00 -6.599593E-03 -1.180027E-01 -1.017900E+00

Mn (5spd) sv-pbe0 sv-pbe0-q15
  2
  1  0  2  5  3 2 2
  7.0165522500 -3.146671E-01  7.654531E-02 -2.875075E-02 -1.034550E-01 -2.716090E-01 -1.907522E-01  5.377060E-02
  2.8720924200  6.882728E-02 -8.457158E-03 -4.870610E-01  4.053303E-01  1.460837E+00 -2.981312E-01  5.541274E-02
  1.1512927800  9.764967E-01 -4.712901E-01  2.233694E+00  6.014571E-01 -9.589779E-01 -4.024459E-01  1.629958E-01
  0.3774314600  1.398392E-01 -2.523830E-02 -2.607127E+00  1.646759E-01 -4.435978E-01 -3.648856E-01  1.274663E-01
  0.0827527100 -1.192710E-03  1.083775E+00  1.080596E+00 -6.599593E-03  7.268529E-01 -1.180027E-01 -1.017900E+00
  3  1  1  1  1
  0.127650    1.000000

Fe (5spd) min-pbe0 min-pbe0-q16
  1
  1  0  2  5  3 1 2
  7.3515604900 -3.637972E-01  8.561966E-02 -4.813580E-02 -7.022006E-02 -2.007391E-01  5.221181E-02
  3.0964889100  2.035343E-01 -4.027766E-02 -3.700679E-01  4.477803E-01 -3.214238E-01  4.743103E-02
  1.1977794300  9.187210E-01 -4.570105E-01  2.052315E+00  5.721614E-01 -4.096826E-01  1.724983E-01
  0.3882856000  1.153877E-01  1.496134E-02 -2.552761E+00  1.363791E-01 -3.364899E-01  7.701123E-02
  0.0859305700 -1.549329E-03  1.064329E+00  1.101075E+00 -6.195133E-03 -9.472327E-02 -1.008647E+00

Fe (5spd) sv-pbe0 sv-pbe0-q16
  1
  1  0  2  5  3 2 2
  7.3515604900 -3.637972E-01  8.561966E-02 -4.813580E-02 -7.022006E-02 -2.418715E-01 -2.007391E-01  5.221181E-02
  3.0964889100  2.035343E-01 -4.027766E-02 -3.700679E-01  4.477803E-01  1.498363E+00 -3.214238E-01  4.743103E-02
  1.1977794300  9.187210E-01 -4.570105E-01  2.052315E+00  5.721614E-01 -1.148504E+00 -4.096826E-01  1.724983E-01
  0.3882856000  1.153877E-01  1.496134E-02 -2.552761E+00  1.363791E-01 -2.711157E-01 -3.364899E-01  7.701123E-02
  0.0859305700 -1.549329E-03  1.064329E+00  1.101075E+00 -6.195133E-03  6.594685E-01 -9.472327E-02 -1.008647E+00
  3  1  1  1  1
  0.134915    1.000000

Co (5spd) min-pbe0 min-pbe0-q17
  1
  1  0  2  5  3 1 2
  7.2675444200  4.280335E-01 -9.518206E-02 -1.315275E-01 -2.127946E-02 -2.351212E-01  5.729893E-02
  2.9357247600 -4.295427E-01  1.025062E-01 -1.030459E-03  5.007008E-01 -3.535748E-01  4.068905E-02
  1.1406296600 -8.004230E-01  4.377239E-01  1.642341E+00  5.204631E-01 -3.911626E-01  1.979135E-01
  0.3772964800 -7.227292E-02 -9.573672E-02 -2.460333E+00  9.386385E-02 -2.996193E-01 -8.956312E-03
  0.0862865400  3.028826E-04 -1.026683E+00  1.149153E+00 -3.724439E-03 -7.112418E-02 -9.848623E-01

Co (5spd) sv-pbe0 sv-pbe0-q17
  2
  1  0  2  5  3 2 2
  7.2675444200  4.280335E-01 -9.518206E-02 -1.315275E-01 -2.127946E-02 -1.472176E-01 -2.351212E-01  5.729893E-02
  2.9357247600 -4.295427E-01  1.025062E-01 -1.030459E-03  5.007008E-01  1.523148E+00 -3.535748E-01  4.068905E-02
  1.1406296600 -8.004230E-01  4.377239E-01  1.642341E+00  5.204631E-01 -1.533892E+00 -3.911626E-01  1.979135E-01
  0.3772964800 -7.227292E-02 -9.573672E-02 -2.460333E+00  9.386385E-02  1.133018E-01 -2.996193E-01 -8.956312E-03
  0.0862865400  3.028826E-04 -1.026683E+00  1.149153E+00 -3.724439E-03  5.655687E-01 -7.112418E-02 -9.848623E-01
  3  1  1  1  1
  0.141308    1.000000

Ni (5spd) min-pbe0 min-pbe0-q18
  1
  1  0  2  5  3 1 2
  8.7186324100 -3.829161E-01  7.765283E-02 -1.946432E-02 -1.108835E-01 -1.781312E-01  4.285180E-02
  4.0228766100  1.971033E-01 -2.950103E-02 -3.907803E-01  4.639382E-01 -3.374360E-01  3.791806E-02
  1.4873374800  9.262138E-01 -4.306518E-01  2.008613E+00  5.864381E-01 -4.256442E-01  1.621168E-01
  0.4704725200  1.344526E-01 -1.134130E-02 -2.445842E+00  1.417946E-01 -3.259697E-01  6.672601E-02
  0.0982664400 -3.944077E-03  1.068262E+00  1.024655E+00 -6.501968E-03 -8.246036E-02 -1.007518E+00

Ni (5spd) sv-pbe0 sv-pbe0-q18
  2
  1  0  2  5  3 2 2
  8.7186324100 -3.829161E-01  7.765283E-02 -1.946432E-02 -1.108835E-01 -3.104406E-01 -1.781312E-01  4.285180E-02
  4.0228766100  1.971033E-01 -2.950103E-02 -3.907803E-01  4.639382E-01  1.464038E+00 -3.374360E-01  3.791806E-02
  1.4873374800  9.262138E-01 -4.306518E-01  2.008613E+00  5.864381E-01 -9.591987E-01 -4.256442E-01  1.621168E-01
  0.4704725200  1.344526E-01 -1.134130E-02 -2.445842E+00  1.417946E-01 -3.923071E-01 -3.259697E-01  6.672601E-02
  0.0982664400 -3.944077E-03  1.068262E+00  1.024655E+00 -6.501968E-03  6.771980E-01 -8.246036E-02 -1.007518E+00
  3  1  1  1  1
  0.146588    1.000000

Cu (5spd) min-pbe0 min-pbe0-q19
  1
  1  0  2  5  3 1 2
  9.4956794500  3.720400E-01  6.707489E-02  1.671619E-02  1.287813E-01 -1.508651E-01  3.674647E-02
  4.6345022300 -1.590283E-01 -1.664338E-02 -4.348133E-01 -4.694218E-01 -3.491153E-01  3.701593E-02
  1.6766716100 -9.416106E-01 -4.147520E-01  2.016773E+00 -5.919060E-01 -4.336118E-01  1.520777E-01
  0.5241806000 -1.510301E-01 -3.688105E-02 -2.396313E+00 -1.502168E-01 -3.276455E-01  7.524304E-02
  0.1057460600  5.108593E-03  1.075026E+00  9.779326E-01  6.802606E-03 -8.119216E-02 -1.009815E+00

Cu (5spd) sv-pbe0 sv-pbe0-q19
  2
  1  0  2  5  3 2 2
  9.4956794500  3.720400E-01  6.707489E-02  1.671619E-02  1.287813E-01  3.491227E-01 -1.508651E-01  3.674647E-02
  4.6345022300 -1.590283E-01 -1.664338E-02 -4.348133E-01 -4.694218E-01 -1.422773E+00 -3.491153E-01  3.701593E-02
  1.6766716100 -9.416106E-01 -4.147520E-01  2.016773E+00 -5.919060E-01  7.950571E-01 -4.336118E-01  1.520777E-01
  0.5241806000 -1.510301E-01 -3.688105E-02 -2.396313E+00 -1.502168E-01  5.150340E-01 -3.276455E-01  7.524304E-02
  0.1057460600  5.108593E-03  1.075026E+00  9.779326E-01  6.802606E-03 -6.860043E-01 -8.119216E-02 -1.009815E+00
  3  1  1  1  1
  0.155065    1.000000

Zn (5spd) min-pbe0 min-pbe0-q20
  1
  1  0  2  5  3 1 2
  8.9506736600  4.768269E-01  9.044267E-02 -5.748483E-02 -8.120271E-03 -2.403945E-01  5.176147E-02
  3.8641931800 -5.228663E-01 -1.065846E-01 -1.898454E-01  5.144727E-01 -3.712067E-01  2.469625E-02
  1.4528521100 -7.556739E-01 -4.009889E-01  1.753229E+00  5.101551E-01 -3.949182E-01  1.995087E-01
  0.4703044500 -7.872700E-02  8.987803E-02 -2.430462E+00  8.433874E-02 -2.741136E-01 -5.377793E-02
  0.1008895500  2.918027E-03  1.020974E+00  1.096162E+00 -3.076649E-03 -5.489782E-02 -9.729299E-01

Zn (5spd) sv-pbe0 sv-pbe0-q20
  2
  1  0  2  5  3 2 2
  8.9506736600  4.768269E-01  9.044267E-02 -5.748483E-02 -8.120271E-03  4.614046E-02 -2.403945E-01  5.176147E-02
  3.8641931800 -5.228663E-01 -1.065846E-01 -1.898454E-01  5.144727E-01  1.304342E-02 -3.712067E-01  2.469625E-02
  1.4528521100 -7.556739E-01 -4.009889E-01  1.753229E+00  5.101551E-01  7.975378E-01 -3.949182E-01  1.995087E-01
  0.4703044500 -7.872700E-02  8.987803E-02 -2.430462E+00  8.433874E-02 -1.363403E+00 -2.741136E-01 -5.377793E-02
  0.1008895500  2.918027E-03  1.020974E+00  1.096162E+00 -3.076649E-03  2.452431E-02 -5.489782E-02 -9.729299E-01
  3  1  1  1  1
  0.162455    1.000000

Ga (5spd) min-pbe0 min-pbe0-q13
  1
  1  0  2  5  2 2 1
  6.8003474300  3.151265E-03  4.171444E-02  1.699330E-03 -3.550876E-01  4.508300E-02
  2.9054677900  1.524712E-02 -1.938101E-01 -1.351495E-02 -4.311351E-01 -9.516372E-02
  1.0333268600 -3.871188E-01  1.000091E+00 -5.833628E-02 -3.450458E-01  3.962876E-01
  0.3276140800  5.439833E-01 -2.272904E+00  2.877563E-01 -1.279786E-01 -3.916419E-01
  0.0865050600  7.248307E-01  1.479452E+00  8.225477E-01 -2.863570E-03 -8.085034E-01

Ga (5spd) sv-pbe0 sv-pbe0-q13
  1
  1  0  2  5  2 2 2
  6.8003474300  3.151265E-03  4.171444E-02  1.699330E-03  1.705055E-02 -3.550876E-01  4.508300E-02
  2.9054677900  1.524712E-02 -1.938101E-01 -1.351495E-02 -5.447766E-02 -4.311351E-01 -9.516372E-02
  1.0333268600 -3.871188E-01  1.000091E+00 -5.833628E-02  3.340331E-01 -3.450458E-01  3.962876E-01
  0.3276140800  5.439833E-01 -2.272904E+00  2.877563E-01 -1.463869E+00 -1.279786E-01 -3.916419E-01
  0.0865050600  7.248307E-01  1.479452E+00  8.225477E-01  9.991342E-01 -2.863570E-03 -8.085034E-01

Ge (3s3p) min-pbe0 min-pbe0-q4
  3
  1  0  0  3  1
  1.1746477600 -3.719381E-01
  0.3218670800  6.192709E-01
  0.1101813600  6.226764E-01
  1  1  1  3  1
  1.9726625800 -3.880005E-02
  0.2651530700  5.372953E-01
  0.0727469100  5.851195E-01
  3  2  2  1  1
  0.246000000  1.000000000

Ge (3s3p) sv-pbe0 sv-pbe0-q4
  3
  1  0  0  3  2
  1.1746477600 -3.719381E-01  6.433032E-01
  0.3218670800  6.192709E-01 -2.334776E+00
  0.1101813600  6.226764E-01  1.809662E+00
  1  1  1  3  2
  1.9726625800 -3.880005E-02  5.596658E-02
  0.2651530700  5.372953E-01 -1.176519E+00
  0.0727469100  5.851195E-01  1.128250E+00
  3  2  2  1  1
  0.246000000  1.000000000

As (3s3p) min-pbe0 min-pbe0-q5
  3
  1  0  0  3  1
  1.3154921400  3.652628E-01 
  0.3556455100 -6.813902E-01
  0.1273555600 -5.604395E-01
  1  1  1  3  1
  2.1674807200 -4.195850E-02
  0.3255746300  5.626017E-01
  0.0937361800  5.551033E-01
  3  2  2  1  1
  0.293000000  1.000000000

As (3s3p) sv-pbe0 sv-pbe0-q5
  3
  1  0  0  3  2
  1.3154921400  3.652628E-01 -4.518337E-01
  0.3556455100 -6.813902E-01  2.238343E+00
  0.1273555600 -5.604395E-01 -1.845204E+00
  1  1  1  3  2
  2.1674807200 -4.195850E-02  5.568625E-02
  0.3255746300  5.626017E-01 -1.200218E+00
  0.0937361800  5.551033E-01  1.175014E+00
  3  2  2  1  1
  0.293000000  1.000000000

Se (3s3p) min-pbe0 min-pbe0-q6
  3
  1  0  0  3  1
  1.4077214100  4.138166E-01
  0.4383801000 -6.966366E-01
  0.1544665100 -5.885223E-01
  1  1  1  3  1
  2.5116381500 -6.036846E-02
  0.3938996100  5.776915E-01
  0.1165586300  5.412486E-01
  3  2  2  1  1
  0.338000000  1.000000000

Se (3s3p) sv-pbe0 sv-pbe0-q6
  3
  1  0  0  3  2
  1.4077214100  4.138166E-01 -5.089310E-01
  0.4383801000 -6.966366E-01  2.308748E+00
  0.1544665100 -5.885223E-01 -1.823482E+00
  1  1  1  3  2
  2.5116381500 -6.036846E-02  8.433238E-02
  0.3938996100  5.776915E-01 -1.230878E+00
  0.1165586300  5.412486E-01  1.204857E+00
  3  2  2  1  1
  0.338000000  1.000000000

Br (3s3p) min-pbe0 min-pbe0-q7
  3
  1  0  0  3  1
  1.5978369000 -4.064770E-01 
  0.4780746100  7.313249E-01
  0.1731093100  5.465852E-01
  1  1  1  3  1
  2.7553046200 -6.905229E-02
  0.4619875700  5.922510E-01
  0.1395480600  5.272351E-01
  3  2  2  1  1
  0.389000000  1.000000000

Br (3s3p) sv-pbe0 sv-pbe0-q7
  3
  1  0  0  3  2
  1.5978369000 -4.064770E-01  6.485564E-01
  0.4780746100  7.313249E-01 -2.464705E+00
  0.1731093100  5.465852E-01  1.944525E+00
  1  1  1  3  2
  2.7553046200 -6.905229E-02  9.384019E-02
  0.4619875700  5.922510E-01 -1.249704E+00
  0.1395480600  5.272351E-01  1.228204E+00
  3  2  2  1  1
  0.389000000  1.000000000

Kr (3s3p) min-pbe0 min-pbe0-q8
  3
  1  0  0  3  1
  1.7096783000 -4.466125E-01  
  0.5629987900  7.480249E-01 
  0.2011301400  5.659215E-01
  1  1  1  3  1
  3.0201867500 -7.652427E-02  
  0.5336393200  6.035692E-01 
  0.1636458900  5.169296E-01
  3  2  2  1  1
  0.443000000  1.000000000

Kr (3s3p) sv-pbe0 sv-pbe0-q8
  3
  1  0  0  3  2
  1.7096783000 -4.466125E-01  7.474073E-01
  0.5629987900  7.480249E-01 -2.570835E+00
  0.2011301400  5.659215E-01  1.945831E+00
  1  1  1  3  2
  3.0201867500 -7.652427E-02  1.025230E-01
  0.5336393200  6.035692E-01 -1.265749E+00
  0.1636458900  5.169296E-01  1.246073E+00
  3  2  2  1  1
  0.443000000  1.000000000
######################################################################################
# Elements Rb to Rn have not yet been updated                                        #
######################################################################################

Rb (5s3p) min-pbe0 min-pbe0-q9
  2
  1  0  0  5  3
  6.4696748200  8.042014E-02  -2.248881E-02   1.125529E-01
  2.5742313100 -4.749625E-01   1.480572E-01  -5.999574E-01
  0.5091562900  9.059528E-01  -3.743971E-01   2.488445E+00
  0.1901006100  3.318258E-01  -2.999849E-01  -2.701304E+00
  0.0381832900 -2.859504E-03   1.183537E+00   8.758801E-01
  1  1  1  3  1
  1.7027443800 -1.403922E-01
  0.6883067300  6.496106E-01
  0.2160958100  5.324213E-01

Rb (5s3p) sv-pbe0 sv-pbe0-q9
  2
  1  0  0  5  3
  6.4696748200  8.042014E-02  -2.248881E-02   1.125529E-01
  2.5742313100 -4.749625E-01   1.480572E-01  -5.999574E-01
  0.5091562900  9.059528E-01  -3.743971E-01   2.488445E+00
  0.1901006100  3.318258E-01  -2.999849E-01  -2.701304E+00
  0.0381832900 -2.859504E-03   1.183537E+00   8.758801E-01
  1  1  1  3  2
  1.7027443800 -1.403922E-01   3.952379E-01
  0.6883067300  6.496106E-01  -1.619608E+00
  0.2160958100  5.324213E-01   1.344123E+00

Sr (6s3p) min-pbe0 min-pbe0-q10
  2
  1  0  0  5  3
  7.1926734700  6.977869E-02  -2.219268E-02   1.117241E-01
  2.6693550900 -5.038081E-01   1.812385E-01  -7.147531E-01
  0.6303163100  8.188034E-01  -4.268263E-01   2.851523E+00
  0.2793031300  4.412463E-01  -2.316052E-01  -2.616425E+00
  0.0433777600  1.094814E-02   1.150035E+00   6.267546E-02
  0.0191939500 -2.606271E-03  -2.113048E-02   6.045680E-01
  1  1  1  3  1
  0.5471922500  8.070698E-01
  0.1769821900  2.560556E-01
  0.0211761200  1.552611E-04

Sr (6s3p) sv-pbe0 sv-pbe0-q10
  2
  1  0  0  5  3
  7.1926734700  6.977869E-02  -2.219268E-02   1.117241E-01
  2.6693550900 -5.038081E-01   1.812385E-01  -7.147531E-01
  0.6303163100  8.188034E-01  -4.268263E-01   2.851523E+00
  0.2793031300  4.412463E-01  -2.316052E-01  -2.616425E+00
  0.0433777600  1.094814E-02   1.150035E+00   6.267546E-02
  0.0191939500 -2.606271E-03  -2.113048E-02   6.045680E-01
  1  1  1  3  2
  0.5471922500  8.070698E-01  -1.061727E+00
  0.1769821900  2.560556E-01   1.260285E+00
  0.0211761200  1.552611E-04   1.604308E-01

Y (4sp3d) min-pbe0 min-pbe0-q11 sv-pbe0 sv-pbe0-q11
  2
  1  0  1  4  3  2
  1.9088512400 -8.407993E-01   3.481001E-01  -1.796853E+00   2.048472E-01  -3.820361E-01
  0.9692193900  1.063377E+00  -5.335868E-01   3.999308E+00  -6.790541E-01   1.273138E+00
  0.3390001000  6.023317E-01  -3.457055E-01  -2.670806E+00  -5.405430E-01  -7.276971E-01
  0.0528978800  5.150281E-03   1.150041E+00   6.820448E-01  -2.457811E-02  -6.740459E-01
  2  2  2  3  2
  0.8766847600 -3.144631E-01   3.171793E-01
  0.2846057700 -5.063927E-01   5.914295E-01
  0.0809724700 -4.365194E-01  -1.020485E+00

Zr (4sp3d) min-pbe0 min-pbe0-q12 sv-pbe0 sv-pbe0-q12
  2
  1  0  1  4  3  2
  1.8433657400 -1.879599E+00   8.329822E-01  -5.901974E+00   7.761048E-01  -1.415369E+00
  1.4031171000  1.936922E+00  -9.364925E-01   8.069399E+00  -1.135750E+00   2.187698E+00
  0.4229585300  7.561486E-01  -4.333316E-01  -2.538762E+00  -6.319893E-01  -5.633534E-01
  0.0602673100  9.219857E-03   1.151756E+00   5.917631E-01  -3.018307E-02  -7.568221E-01
  2  2  2  3  2
  1.0238549900 -3.289434E-01   3.163857E-01
  0.3481523100 -5.179712E-01   5.702934E-01
  0.1027906900 -3.942171E-01  -1.045993E+00

Nb (4sp3d) min-pbe0 min-pbe0-q13 sv-pbe0 sv-pbe0-q13
  2
  1  0  1  4  3  2
  2.0932716300 -1.148147E+00   5.234240E-01  -3.292633E+00   4.259615E-01  -8.171123E-01
  1.3648836200  1.262947E+00  -6.754612E-01   5.584722E+00  -8.373305E-01   1.690717E+00
  0.4565579300  7.243070E-01  -3.895255E-01  -2.672409E+00  -5.877849E-01  -6.983144E-01
  0.0664760400  5.454378E-03   1.147113E+00   6.311520E-01  -2.607054E-02  -7.052586E-01
  2  2  2  3  2
  1.1576375400 -3.634612E-01   3.208633E-01
  0.3992463100 -5.176207E-01   5.363836E-01
  0.1212879700 -3.519323E-01  -1.065739E+00

Mo (4sp3d) min-pbe0 min-pbe0-q14 sv-pbe0 sv-pbe0-q14
  2
  1  0  1  4  3  2
  2.0380674800 -4.289460E+00   2.030280E+00  -1.622781E+01   2.174277E+00   2.508895E+00
  1.8295146500  4.325195E+00  -2.135906E+00   1.846744E+01  -2.539518E+00  -3.043814E+00
  0.5290209700  7.950445E-01  -4.288126E-01  -2.572399E+00  -6.260557E-01   8.813844E-01
  0.0723794000  8.013678E-03   1.144161E+00   5.768926E-01  -2.772799E-02  -1.086129E+00
  2  2  2  3  2
  1.2255690100 -4.105632E-01   1.932658E-01
  0.4241488600 -5.087074E-01   6.456654E-01
  0.1328447600 -3.057331E-01  -1.142099E+00

Tc (4sp3d) min-pbe0 min-pbe0-q15 sv-pbe0 sv-pbe0-q15
  2
  1  0  1  4  3  2
  2.2114520000  2.729266E+00   1.270788E+00  -9.525657E+00   1.250271E+00   1.647388E+00
  1.8520385700 -2.790822E+00  -1.396415E+00   1.183238E+01  -1.638832E+00  -2.279374E+00
  0.5662334700 -7.680169E-01  -4.009354E-01  -2.652312E+00  -6.059866E-01   9.756192E-01
  0.0770057100 -7.650228E-03   1.138822E+00   5.886697E-01  -2.453481E-02  -1.075959E+00
  2  2  2  3  2
  1.2801554500 -4.488460E-01   1.875254E-01
  0.4458836500 -4.980912E-01   6.265541E-01
  0.1430864100 -2.690451E-01  -1.161340E+00

Ru (4sp3d) min-pbe0 min-pbe0-q16 sv-pbe0 sv-pbe0-q16
  2
  1  0  1  4  3  2
  2.2077785600  4.757879E+00   2.000040E+00  -1.651097E+01   2.155612E+00   6.364293E+00
  1.9833989500 -4.828393E+00  -2.114288E+00   1.879250E+01  -2.570040E+00  -7.698232E+00
  0.5871934000 -7.524279E-01  -3.689507E-01  -2.600201E+00  -5.873402E-01   1.590479E+00
  0.0722395600 -5.640225E-03   1.120466E+00   5.392019E-01  -2.136895E-02  -6.809835E-01
  2  2  2  3  2
  1.3270117800 -4.564206E-01   1.406879E-01
  0.4482268500 -4.954365E-01   6.519540E-01
  0.1366252100 -2.785710E-01  -1.153311E+00

Rh (4sp3d) min-pbe0 min-pbe0-q17 sv-pbe0 sv-pbe0-q17
  2
  1  0  1  4  3  2
  2.5649072000  1.755528E+00   7.912929E-01  -5.315528E+00   7.015410E-01   9.362173E-01
  1.9066824500 -1.863315E+00  -9.553801E-01   7.727775E+00  -1.124577E+00  -1.672597E+00
  0.6358713600 -7.183175E-01  -3.452181E-01  -2.775653E+00  -5.714977E-01   1.068237E+00
  0.0852082400 -5.978413E-03   1.127682E+00   6.064537E-01  -1.973525E-02  -1.060763E+00
  2  2  2  3  2
  1.4286795600 -4.990048E-01   1.715719E-01
  0.5025387500 -4.798580E-01   6.085537E-01
  0.1657911600 -2.231013E-01  -1.185002E+00

Pd (4sp3d) min-pbe0 min-pbe0-q18 sv-pbe0 sv-pbe0-q18
  2
  1  0  1  4  3  2
  2.7754586800  1.829914E+00   8.014062E-01  -5.644972E+00   7.048130E-01   1.086985E+00
  2.0962721300 -1.927388E+00  -9.548340E-01   8.046379E+00  -1.141094E+00  -1.845445E+00
  0.6944653900 -7.289922E-01  -3.458839E-01  -2.742196E+00  -5.657191E-01   1.087124E+00
  0.0896492600 -6.568265E-03   1.122637E+00   5.835515E-01  -1.917765E-02  -1.047605E+00
  2  2  2  3  2
  1.5199080100 -5.289356E-01   1.692983E-01
  0.5307453900 -4.663447E-01   5.876175E-01
  0.1763050500 -2.020843E-01  -1.189465E+00

Ag (4sp3d) min-pbe0 min-pbe0-q19 sv-pbe0 sv-pbe0-q19
  2
  1  0  1  4  3  2
  3.2311932700  1.097433E+00   4.625729E-01  -2.821665E+00   3.339084E-01   4.495070E-01
  1.9871678300 -1.248844E+00  -6.569285E-01   5.260134E+00  -8.163436E-01  -1.183018E+00
  0.7196037300 -6.770499E-01  -2.934000E-01  -2.799131E+00  -5.247051E-01   1.060496E+00
  0.0934140400 -4.586129E-03   1.114133E+00   6.059893E-01  -1.666653E-02  -1.056508E+00
  2  2  2  3  2
  1.6107848600 -5.587113E-01   1.664583E-01
  0.5613814600 -4.491783E-01   5.682596E-01
  0.1876860700 -1.840567E-01  -1.192994E+00

Cd (4sp3d) min-pbe0 min-pbe0-q20 sv-pbe0 sv-pbe0-q20
  2
  1  0  1  4  3  2
  3.2765385300  1.402241E+00   5.594543E-01  -3.871675E+00   4.234852E-01   7.079345E-01
  2.2532847000 -1.524449E+00  -7.252979E-01   6.305476E+00  -8.987997E-01  -1.448815E+00
  0.7864922800 -7.043947E-01  -3.172980E-01  -2.751112E+00  -5.394368E-01   1.061815E+00
  0.0972946800 -6.245603E-03   1.112357E+00   5.704383E-01  -1.684408E-02  -1.044619E+00
  2  2  2  3  2
  1.7321425900 -5.509887E-01   1.473097E-01
  0.6174313700 -4.507778E-01   5.992527E-01
  0.2074289300 -1.865163E-01  -1.204388E+00

In (4sp3d) min-pbe0 min-pbe0-q13 sv-pbe0 sv-pbe0-q13
  2
  1  0  1  4  2  2
  1.5749562800  3.265915E-01  -3.768416E-01   3.101099E-02  -7.236980E-02
  1.1347711700 -6.449614E-01   7.207173E-01  -8.861606E-02   1.639638E-01
  0.1580025200  8.496753E-01  -1.795178E+00   5.319239E-01  -1.309745E+00
  0.0499650200  3.409578E-01   1.694384E+00   5.763300E-01   1.243315E+00
  2  2  2  3  2
  2.6316973100 -3.819880E-01  -3.019434E-01
  1.0570813100 -5.218156E-01   1.188045E+00
  0.3557535400 -2.786243E-01  -1.317625E+00

Sn (3s3p) min-pbe0 min-pbe0-q4
  3
  1  0  0  3  1
  1.6421206300  1.217673E+00
  1.4753434000 -1.508642E+00
  0.1406800200  1.121983E+00
  1  1  1  3  1
  1.1240179100 -8.618026E-02
  0.1986553200  5.818644E-01
  0.0598220700  5.437675E-01
  3  2  2  1  1
  0.20500000000 1.000000000

Sn (3s3p) sv-pbe0 sv-pbe0-q4
  3
  1  0  0  3  2
  1.6421206300  1.217673E+00   1.315688E+01
  1.4753434000 -1.508642E+00  -1.397137E+01
  0.1406800200  1.121983E+00   4.928284E-01
  1  1  1  3  2
  1.1240179100 -8.618026E-02   1.229192E-01
  0.1986553200  5.818644E-01  -1.272979E+00
  0.0598220700  5.437675E-01   1.223294E+00
  3  2  2  1  1
  0.20500000000 1.000000000

Sb (3s3p) min-pbe0 min-pbe0-q5
  3
  1  0  0  3  1
  0.5756688200 -4.170155E+00
  0.5156233900  4.225848E+00
  0.1224935200  7.882641E-01
  1  1  1  3  1
  1.1811977200 -9.852982E-02
  0.2376595700  6.042490E-01
  0.0741538600  5.240499E-01
  3  2  2  1  1
  0.23060000000 1.000000000

Sb (3s3p) sv-pbe0 sv-pbe0-q5
  3
  1  0  0  3  2
  0.5756688200 -4.170155E+00   1.403204E+01
  0.5156233900  4.225848E+00  -1.568799E+01
  0.1224935200  7.882641E-01   1.723814E+00
  1  1  1  3  2
  1.1811977200 -9.852982E-02   1.425179E-01
  0.2376595700  6.042490E-01  -1.316608E+00
  0.0741538600  5.240499E-01   1.265527E+00
  3  2  2  1  1
  0.23060000000 1.000000000

Te (3s3p) min-pbe0 min-pbe0-q6
  3
  1  0  0  3  1
  0.7325825800 -1.203066E+00
  0.4900569300  1.279844E+00
  0.1393150400  7.602367E-01
  1  1  1  3  1
  1.2835023200 -1.130141E-01
  0.2772630000  6.234302E-01
  0.0884352600  5.091089E-01
  3  2  2  1  1
  0.25000000000 1.000000000

Te (3s3p) sv-pbe0 sv-pbe0-q6
  3
  1  0  0  3  2
  0.7325825800 -1.203066E+00   3.403106E+00
  0.4900569300  1.279844E+00  -5.156811E+00
  0.1393150400  7.602367E-01   1.839090E+00
  1  1  1  3  2
  1.2835023200 -1.130141E-01   1.624568E-01
  0.2772630000  6.234302E-01  -1.349873E+00
  0.0884352600  5.091089E-01   1.295189E+00
  3  2  2  1  1
  0.25000000000 1.000000000

I (3s3p) min-pbe0 min-pbe0-q7
  3
  1  0  0  3  1
  0.6857867500 -4.638980E+00
  0.6152456000  4.731068E+00
  0.1563621900  7.443161E-01
  1  1  1  3  1
  1.3996196300 -1.239359E-01
  0.3173066600  6.400256E-01
  0.1027725600  4.961807E-01
  3  2  2  1  1
  0.30900000000 1.000000000

I (3s3p) sv-pbe0 sv-pbe0-q7
  3
  1  0  0  3  2
  0.6857867500 -4.638980E+00   1.458806E+01
  0.6152456000  4.731068E+00  -1.635955E+01
  0.1563621900  7.443161E-01   1.863499E+00
  1  1  1  3  2
  1.3996196300 -1.239359E-01   1.739354E-01
  0.3173066600  6.400256E-01  -1.372371E+00
  0.1027725600  4.961807E-01   1.316936E+00
  3  2  2  1  1
  0.30900000000 1.000000000

Xe (3s3p) min-pbe0 min-pbe0-q8
  3
  1  0  0  3  1
  0.7491303900 -4.705506E+00
  0.6718648200  4.807601E+00
  0.1749372500  7.334742E-01
  1  1  1  3  1
  1.5043855400 -1.306344E-01
  0.3581712100  6.541707E-01
  0.1172975700  4.852965E-01
  3  2  2  1  1
  0.32000000000 1.000000000

Xe (3s3p) sv-pbe0 sv-pbe0-q8
  3
  1  0  0  3  2
  0.7491303900 -4.705506E+00   1.464180E+01
  0.6718648200  4.807601E+00  -1.645863E+01
  0.1749372500  7.334742E-01   1.912880E+00
  1  1  1  3  2
  1.5043855400 -1.306344E-01   1.811212E-01
  0.3581712100  6.541707E-01  -1.389775E+00
  0.1172975700  4.852965E-01   1.333783E+00
  3  2  2  1  1
  0.32000000000 1.000000000

Cs (5s3p) min-pbe0 min-pbe0-q9
  2
  1  0  0  5  3
  2.1663723200 -1.691295E+00   5.600809E-01  -1.363933E+00
  1.9469215600  2.139296E+00  -7.169058E-01   1.713167E+00
  0.3248196200 -1.148195E+00   5.467285E-01  -1.561355E+00
  0.0533756000 -8.083595E-01   5.824987E+00   1.959307E+01
  0.0479642000  6.858921E-01  -6.809744E+00  -1.859437E+01
  1  1  1  3  1
  1.1441603300 -2.348742E-01
  0.4736477800  7.053522E-01
  0.1584003000  5.253723E-01

Cs (5s3p) sv-pbe0 sv-pbe0-q9
  2
  1  0  0  5  3
  2.1663723200 -1.691295E+00   5.600809E-01  -1.363933E+00
  1.9469215600  2.139296E+00  -7.169058E-01   1.713167E+00
  0.3248196200 -1.148195E+00   5.467285E-01  -1.561355E+00
  0.0533756000 -8.083595E-01   5.824987E+00   1.959307E+01
  0.0479642000  6.858921E-01  -6.809744E+00  -1.859437E+01
  1  1  1  3  2
  1.1441603300 -2.348742E-01   5.059680E-01
  0.4736477800  7.053522E-01  -1.798495E+00
  0.1584003000  5.253723E-01   1.429989E+00

Ba (6s3p) min-pbe0 min-pbe0-q10
  2
  1  0  0  6  3
  4.0077816800 -3.659379E-01  -9.894800E-02   1.426454E+00
  3.5628902500  6.143009E-01   1.826842E-01  -2.024049E+00
  1.7604533900 -7.799691E-01  -2.985523E-01   1.441854E+00
  0.4304049000  9.961207E-01   5.506601E-01  -3.433357E+00
  0.1801669800  3.497447E-01   2.982761E-01   3.453615E+00
  0.0410993800 -6.619290E-04  -1.222271E+00  -1.084808E+00
  1  1  1  3  1
  1.2277754400 -3.000740E-01
  0.5636613900  7.518459E-01
  0.1949343900  5.271630E-01

Ba (6s3p) sv-pbe0 sv-pbe0-q10
  2
  1  0  0  6  3
  4.0077816800 -3.659379E-01  -9.894800E-02   1.426454E+00
  3.5628902500  6.143009E-01   1.826842E-01  -2.024049E+00
  1.7604533900 -7.799691E-01  -2.985523E-01   1.441854E+00
  0.4304049000  9.961207E-01   5.506601E-01  -3.433357E+00
  0.1801669800  3.497447E-01   2.982761E-01   3.453615E+00
  0.0410993800 -6.619290E-04  -1.222271E+00  -1.084808E+00
  1  1  1  3  2
  1.2277754400 -3.000740E-01   6.529659E-01
  0.5636613900  7.518459E-01  -2.011886E+00
  0.1949343900  5.271630E-01   1.501529E+00

La (4sp4df) min-pbe0 min-pbe0-q11
  2
  1  0  1  4  3  2
  1.0294972600 -4.543645E+00   2.038558E+00  -1.667996E+01   2.532342E+00  -5.523888E+00
  0.9267012700  4.560500E+00  -2.109899E+00   1.891306E+01  -2.825909E+00   6.569723E+00
  0.2621795200  8.072526E-01  -5.385047E-01  -2.617504E+00  -6.631245E-01  -8.426281E-01
  0.0428432600 -4.257503E-03   1.199428E+00   6.465313E-01  -3.915769E-02  -5.489845E-01
  1  2  3  4  1  1
  3.9697767600 -8.330075E-03  -4.700456E-01
  1.3760923100 -1.821604E-02  -4.648924E-01
  0.4034128700  4.944068E-01  -3.313492E-01
  0.0970563300  6.856400E-01  -1.231891E-01

La (4sp4df) sv-pbe0 sv-pbe0-q11
  2
  1  0  1  4  3  2
  1.0294972600 -4.543645E+00   2.038558E+00  -1.667996E+01   2.532342E+00  -5.523888E+00
  0.9267012700  4.560500E+00  -2.109899E+00   1.891306E+01  -2.825909E+00   6.569723E+00
  0.2621795200  8.072526E-01  -5.385047E-01  -2.617504E+00  -6.631245E-01  -8.426281E-01
  0.0428432600 -4.257503E-03   1.199428E+00   6.465313E-01  -3.915769E-02  -5.489845E-01
  1  2  3  4  2  2
  3.9697767600 -8.330075E-03   1.857718E-02   -4.700456E-01   1.602549E-01
  1.3760923100 -1.821604E-02   9.781341E-03   -4.648924E-01   2.341394E-01
  0.4034128700  4.944068E-01  -1.012513E+00   -3.313492E-01  -1.441052E-01
  0.0970563300  6.856400E-01   8.770869E-01   -1.231891E-01  -9.059440E-01

Ce (4sp4df) min-pbe0 min-pbe0-q12
  2
  1  0  1  4  3  2
  1.1748200500 -3.895879E+00   1.810799E+00  -1.740705E+01   2.498341E+00  -4.315134E+00
  1.0577886100  3.823234E+00  -1.839343E+00   1.965137E+01  -2.744276E+00   4.951459E+00
  0.3015114600  8.951412E-01  -5.855083E-01  -2.591420E+00  -6.982131E-01  -3.560652E-01
  0.0474180800 -2.557514E-03   1.199704E+00   6.078361E-01  -4.237637E-02  -8.438788E-01
  1  2  3  4  1  1
  3.9125572400 -8.395313E-03  -4.784575E-01
  1.4546162900 -1.806213E-02  -4.629185E-01
  0.4627886200  5.071344E-01  -3.043034E-01
  0.1193535000  6.627632E-01  -8.223402E-02

Ce (4sp4df) sv-pbe0 sv-pbe0-q12
  2
  1  0  1  4  3  2
  1.1748200500 -3.895879E+00   1.810799E+00  -1.740705E+01   2.498341E+00  -4.315134E+00
  1.0577886100  3.823234E+00  -1.839343E+00   1.965137E+01  -2.744276E+00   4.951459E+00
  0.3015114600  8.951412E-01  -5.855083E-01  -2.591420E+00  -6.982131E-01  -3.560652E-01
  0.0474180800 -2.557514E-03   1.199704E+00   6.078361E-01  -4.237637E-02  -8.438788E-01
  1  2  3  4  2  2
  3.9125572400 -8.395313E-03   2.552876E-03  -4.784575E-01   1.139006E-01
  1.4546162900 -1.806213E-02   7.241444E-02  -4.629185E-01   1.618932E-01
  0.4627886200  5.071344E-01  -1.069825E+00  -3.043034E-01  -2.071267E-02
  0.1193535000  6.627632E-01   9.329213E-01  -8.223402E-02  -9.730633E-01

Pr (4sp4df) min-pbe0 min-pbe0-q13
  2
  1  0  1  4  3  2
  1.1613088600 -3.963436E+00   1.642741E+00  -1.580692E+01   2.549538E+00  -5.162992E+00
  1.0434828100  3.960094E+00  -1.684607E+00   1.794092E+01  -2.792423E+00   6.058703E+00
  0.2870867900  8.439576E-01  -5.418388E-01  -2.445373E+00  -6.981907E-01  -6.552598E-01
  0.0433174600 -4.399412E-03   1.183975E+00   5.766157E-01  -4.432961E-02  -6.656044E-01
  1  2  3  4  1  1
  4.0772434200 -1.996629E-03  -4.607124E-01
  1.5663099400 -3.292021E-02  -4.242430E-01
  0.5027847600  4.130826E-01  -3.327557E-01
  0.1187156200  7.605968E-01  -1.781195E-01

Pr (4sp4df) sv-pbe0 sv-pbe0-q13
  2
  1  0  1  4  3  2
  1.1613088600 -3.963436E+00   1.642741E+00  -1.580692E+01   2.549538E+00  -5.162992E+00
  1.0434828100  3.960094E+00  -1.684607E+00   1.794092E+01  -2.792423E+00   6.058703E+00
  0.2870867900  8.439576E-01  -5.418388E-01  -2.445373E+00  -6.981907E-01  -6.552598E-01
  0.0433174600 -4.399412E-03   1.183975E+00   5.766157E-01  -4.432961E-02  -6.656044E-01
  1  2  3  4  2  2
  4.0772434200 -1.996629E-03  -8.007532E-04  -4.607124E-01   1.966708E-01
  1.5663099400 -3.292021E-02   8.309762E-02  -4.242430E-01   1.992210E-01
  0.5027847600  4.130826E-01  -1.089282E+00  -3.327557E-01  -4.595143E-02
  0.1187156200  7.605968E-01   8.150108E-01  -1.781195E-01  -9.353706E-01

Nd (4sp4df) min-pbe0 min-pbe0-q14
  2
  1  0  1  4  3  2
  1.3177530900 -1.576856E+00   6.180633E-01  -5.055378E+00   8.041492E-01  -1.509943E+00
  0.9767443800  1.623407E+00  -6.818125E-01   7.196252E+00  -1.088359E+00   2.452462E+00
  0.2931042300  7.880671E-01  -5.013237E-01  -2.479014E+00  -6.743698E-01  -7.157877E-01
  0.0437794000 -3.005394E-03   1.174921E+00   5.852714E-01  -4.082519E-02  -6.331329E-01

  1  2  3  4  1  1
  4.3002857400  1.291064E-04  -4.696432E-01
  1.6906239700 -3.158642E-02  -4.242636E-01
  0.5482618500  3.924547E-01  -3.228860E-01
  0.1299964900  7.752447E-01  -1.605473E-01

Nd (4sp4df) sv-pbe0 sv-pbe0-q14
  2
  1  0  1  4  3  2
  1.3177530900 -1.576856E+00   6.180633E-01  -5.055378E+00   8.041492E-01  -1.509943E+00
  0.9767443800  1.623407E+00  -6.818125E-01   7.196252E+00  -1.088359E+00   2.452462E+00
  0.2931042300  7.880671E-01  -5.013237E-01  -2.479014E+00  -6.743698E-01  -7.157877E-01
  0.0437794000 -3.005394E-03   1.174921E+00   5.852714E-01  -4.082519E-02  -6.331329E-01
  1  2  3  4  2  2
  4.3002857400  1.291064E-04  -6.951858E-03  -4.696432E-01   1.922460E-01
  1.6906239700 -3.158642E-02   8.957875E-02  -4.242636E-01   1.932787E-01
  0.5482618500  3.924547E-01  -1.101139E+00  -3.228860E-01  -6.997152E-02
  0.1299964900  7.752447E-01   8.035381E-01  -1.605473E-01  -9.317312E-01

Pm (4sp4df) min-pbe0 min-pbe0-q15
  2
  1  0  1  4  3  2
  1.4314016100  1.090421E+00   4.149615E-01  -3.018526E+00   4.748728E-01  -7.077197E-01
  0.9017888400 -1.215782E+00  -5.143442E-01   5.197451E+00  -8.111108E-01   1.243564E+00
  0.2917141500 -7.157954E-01  -4.541756E-01  -2.576053E+00  -6.348262E-01  -2.893390E-01
  0.0441950100  3.999845E-03   1.169070E+00   6.177385E-01  -3.628606E-02  -8.871761E-01
  1  2  3  4  1  1
  4.4221866400 -2.780646E-04  -4.790744E-01
  1.7732035700 -2.673187E-02  -4.212341E-01
  0.5815456100  3.841291E-01  -3.136212E-01
  0.1391751800  7.788579E-01  -1.486704E-01

Pm (4sp4df) sv-pbe0 sv-pbe0-q15
  2
  1  0  1  4  3  2
  1.4314016100  1.090421E+00   4.149615E-01  -3.018526E+00   4.748728E-01  -7.077197E-01
  0.9017888400 -1.215782E+00  -5.143442E-01   5.197451E+00  -8.111108E-01   1.243564E+00
  0.2917141500 -7.157954E-01  -4.541756E-01  -2.576053E+00  -6.348262E-01  -2.893390E-01
  0.0441950100  3.999845E-03   1.169070E+00   6.177385E-01  -3.628606E-02  -8.871761E-01
  1  2  3  4  2  2
  4.4221866400 -2.780646E-04  -2.226161E-02  -4.790744E-01   9.687992E-02
  1.7732035700 -2.673187E-02   1.466140E-01  -4.212341E-01   9.783562E-02
  0.5815456100  3.841291E-01  -1.138422E+00  -3.136212E-01   1.963766E-01
  0.1391751800  7.788579E-01   8.128346E-01  -1.486704E-01  -1.028169E+00

Sm (4sp4df) min-pbe0 min-pbe0-q16
  2
  1  0  1  4  3  2
  1.5859281100  8.034046E-01   2.973425E-01  -1.744791E+00   2.752536E-01  -4.622713E-01
  0.7998156100 -1.042950E+00  -4.562189E-01   3.964391E+00  -6.904131E-01   1.122728E+00
  0.2815831500 -6.016626E-01  -3.815654E-01  -2.684713E+00  -5.706513E-01  -4.570807E-01
  0.0445145200  4.407741E-03   1.162238E+00   6.760730E-01  -2.964826E-02  -8.246883E-01
  1  2  3  4  1  1
  4.6832932400  9.398545E-04  -4.821057E-01
  1.9050176300 -2.664385E-02  -4.202636E-01
  0.6276638600  3.653550E-01  -3.094976E-01
  0.1507135000  7.922293E-01  -1.421494E-01

Sm (4sp4df) sv-pbe0 sv-pbe0-q16
  2
  1  0  1  4  3  2
  1.5859281100  8.034046E-01   2.973425E-01  -1.744791E+00   2.752536E-01  -4.622713E-01
  0.7998156100 -1.042950E+00  -4.562189E-01   3.964391E+00  -6.904131E-01   1.122728E+00
  0.2815831500 -6.016626E-01  -3.815654E-01  -2.684713E+00  -5.706513E-01  -4.570807E-01
  0.0445145200  4.407741E-03   1.162238E+00   6.760730E-01  -2.964826E-02  -8.246883E-01
  1  2  3  4  2  2
  4.6832932400  9.398545E-04  -2.749310E-02  -4.821057E-01   8.745198E-02
  1.9050176300 -2.664385E-02   1.579233E-01  -4.202636E-01   8.753531E-02
  0.6276638600  3.653550E-01  -1.151894E+00  -3.094976E-01   2.130886E-01
  0.1507135000  7.922293E-01   8.023762E-01  -1.421494E-01  -1.033896E+00

Eu (4sp4df) min-pbe0 min-pbe0-q17
  2
  1  0  1  4  3  2
  1.6938923700  8.284559E-01   2.988315E-01  -2.069791E+00   3.448000E-01  -5.029094E-01
  0.9170875600 -9.754880E-01  -4.042014E-01   4.219581E+00  -6.971249E-01   1.062454E+00
  0.3091628900 -6.964174E-01  -4.296561E-01  -2.541756E+00  -6.194936E-01  -3.291197E-01
  0.0456607800  6.059896E-03   1.159970E+00   6.055926E-01  -3.578937E-02  -8.736086E-01
  1  2  3  4  1  1
  4.9103581000  1.303631E-03  -4.861007E-01
  2.0186726900 -2.829511E-02  -4.191091E-01
  0.6679399800  3.557360E-01  -3.046390E-01
  0.1608101400  7.993547E-01  -1.372733E-01

Eu (4sp4df) sv-pbe0 sv-pbe0-q17
  2
  1  0  1  4  3  2
  1.6938923700  8.284559E-01   2.988315E-01  -2.069791E+00   3.448000E-01  -5.029094E-01
  0.9170875600 -9.754880E-01  -4.042014E-01   4.219581E+00  -6.971249E-01   1.062454E+00
  0.3091628900 -6.964174E-01  -4.296561E-01  -2.541756E+00  -6.194936E-01  -3.291197E-01
  0.0456607800  6.059896E-03   1.159970E+00   6.055926E-01  -3.578937E-02  -8.736086E-01
  1  2  3  4  2  2
  4.9103581000  1.303631E-03  -3.045031E-02  -4.861007E-01   8.209323E-02
  2.0186726900 -2.829511E-02   1.693664E-01  -4.191091E-01   8.151961E-02
  0.6679399800  3.557360E-01  -1.162750E+00  -3.046390E-01   2.202483E-01
  0.1608101400  7.993547E-01   7.975614E-01  -1.372733E-01  -1.036916E+00

Gd (4sp4df) min-pbe0 min-pbe0-q18
  2
  1  0  1  4  3  2
  1.6426207800 -1.083496E+00  -5.034583E-01   3.124613E+00   4.356106E-01  -8.082406E-01
  1.0374001800  1.205688E+00   6.333802E-01  -5.573856E+00  -7.791228E-01   1.577572E+00
  0.3567417700  7.181430E-01   5.646206E-01   2.997237E+00  -6.277283E-01  -4.795842E-01
  0.0698972500 -2.508914E-04  -1.248680E+00  -8.144971E-01  -3.700557E-02  -7.897221E-01
  1  2  3  4  1  1
  5.1668107400  3.556211E-03   -4.940023E-01
  2.2381622500 -3.866687E-02   -4.204699E-01
  0.7902816200  3.771193E-01   -2.831205E-01
  0.2207322800  7.657443E-01   -8.379090E-02

Gd (4sp4df) sv-pbe0 sv-pbe0-q18
  2
  1  0  1  4  3  2
  1.6426207800 -1.083496E+00  -5.034583E-01   3.124613E+00   4.356106E-01  -8.082406E-01
  1.0374001800  1.205688E+00   6.333802E-01  -5.573856E+00  -7.791228E-01   1.577572E+00
  0.3567417700  7.181430E-01   5.646206E-01   2.997237E+00  -6.277283E-01  -4.795842E-01
  0.0698972500 -2.508914E-04  -1.248680E+00  -8.144971E-01  -3.700557E-02  -7.897221E-01
  1  2  3  4  2  2
  5.1668107400  3.556211E-03  -4.269233E-02   -4.940023E-01   7.297021E-02
  2.2381622500 -3.866687E-02   2.146102E-01   -4.204699E-01   1.210824E-01
  0.7902816200  3.771193E-01  -1.250687E+00   -2.831205E-01   1.264868E-01
  0.2207322800  7.657443E-01   9.127602E-01   -8.379090E-02  -1.031870E+00

Tb (4sp4df) min-pbe0 min-pbe0-q19
  2
  1  0  1  4  3  2
  1.9072398900  7.406908E-01   2.563847E-01  -1.803177E+00   3.061818E-01  -4.373515E-01
  0.9736675900 -8.981003E-01  -3.588895E-01   3.916969E+00  -6.640827E-01   9.896580E-01
  0.3303551100 -6.928098E-01  -4.183458E-01  -2.489774E+00  -6.163286E-01  -3.274338E-01
  0.0473417200  7.383881E-03   1.152858E+00   5.859728E-01  -3.646449E-02  -8.749871E-01
  1  2  3  4  1  1
  5.3432827600  2.169266E-03  -4.939883E-01
  2.2410716100 -2.740757E-02  -4.162031E-01
  0.7449837600  3.355559E-01  -2.955793E-01
  0.1797148700  8.132585E-01  -1.302785E-01

Tb (4sp4df) sv-pbe0 sv-pbe0-q19
  2
  1  0  1  4  3  2
  1.9072398900  7.406908E-01   2.563847E-01  -1.803177E+00   3.061818E-01  -4.373515E-01
  0.9736675900 -8.981003E-01  -3.588895E-01   3.916969E+00  -6.640827E-01   9.896580E-01
  0.3303551100 -6.928098E-01  -4.183458E-01  -2.489774E+00  -6.163286E-01  -3.274338E-01
  0.0473417200  7.383881E-03   1.152858E+00   5.859728E-01  -3.646449E-02  -8.749871E-01
  1  2  3  4  2  2
  5.3432827600  2.169266E-03  -3.657924E-02  -4.939883E-01   7.265093E-02
  2.2410716100 -2.740757E-02   1.832066E-01  -4.162031E-01   6.898354E-02
  0.7449837600  3.355559E-01  -1.176742E+00  -2.955793E-01   2.378444E-01
  0.1797148700  8.132585E-01   7.857031E-01  -1.302785E-01  -1.042508E+00

Dy (4sp4df) min-pbe0 min-pbe0-q20
  2
  1  0  1  4  3  2
  1.9823562600  6.890658E-01   2.368781E-01  -1.422906E+00   2.316855E-01  -3.807657E-01
  0.9116987300 -9.458026E-01  -3.892254E-01   3.552682E+00  -6.561265E-01   1.034960E+00
  0.3205146700 -5.938421E-01  -3.568221E-01  -2.561976E+00  -5.657011E-01  -4.653405E-01
  0.0476169400  6.883815E-03   1.146366E+00   6.332553E-01  -3.056849E-02  -8.210553E-01
  1  2  3  4  1  1
  5.6417870900  2.764135E-03  -4.934693E-01
  2.3844211000 -2.674591E-02  -4.156055E-01
  0.7942944500  3.221067E-01  -2.947179E-01
  0.1923447800  8.219981E-01  -1.299634E-01

Dy (4sp4df) sv-pbe0 sv-pbe0-q20
  2
  1  0  1  4  3  2
  1.9823562600  6.890658E-01   2.368781E-01  -1.422906E+00   2.316855E-01  -3.807657E-01
  0.9116987300 -9.458026E-01  -3.892254E-01   3.552682E+00  -6.561265E-01   1.034960E+00
  0.3205146700 -5.938421E-01  -3.568221E-01  -2.561976E+00  -5.657011E-01  -4.653405E-01
  0.0476169400  6.883815E-03   1.146366E+00   6.332553E-01  -3.056849E-02  -8.210553E-01
  1  2  3  4  2  2
  5.6417870900  2.764135E-03  -4.049113E-02  -4.934693E-01   6.831444E-02
  2.3844211000 -2.674591E-02   1.914822E-01  -4.156055E-01   6.133847E-02
  0.7942944500  3.221067E-01  -1.186078E+00  -2.947179E-01   2.559366E-01
  0.1923447800  8.219981E-01   7.791480E-01  -1.299634E-01  -1.046495E+00

Ho (4sp4df) min-pbe0 min-pbe0-q21
  2
  1  0  1  4  3  2
  2.0814626100  6.698263E-01   2.278177E-01  -1.370142E+00   2.360771E-01  -3.719904E-01
  0.9397541800 -9.272992E-01  -3.795244E-01   3.481898E+00  -6.549662E-01   1.023057E+00
  0.3299894900 -5.946185E-01  -3.519371E-01  -2.537753E+00  -5.672375E-01  -4.637907E-01
  0.0484960000  7.809758E-03   1.143545E+00   6.261780E-01  -3.100997E-02  -8.212481E-01
  1  2  3  4  1  1
  5.9565337700  3.467742E-03  -4.937509E-01
  2.5305275400 -2.769953E-02  -4.143001E-01
  0.8439050200  3.086256E-01  -2.943307E-01
  0.2050599900  8.310920E-01  -1.304690E-01

Ho (4sp4df) sv-pbe0 sv-pbe0-q21
  2
  1  0  1  4  3  2
  2.0814626100  6.698263E-01   2.278177E-01  -1.370142E+00   2.360771E-01  -3.719904E-01
  0.9397541800 -9.272992E-01  -3.795244E-01   3.481898E+00  -6.549662E-01   1.023057E+00
  0.3299894900 -5.946185E-01  -3.519371E-01  -2.537753E+00  -5.672375E-01  -4.637907E-01
  0.0484960000  7.809758E-03   1.143545E+00   6.261780E-01  -3.100997E-02  -8.212481E-01
  1  2  3  4  2  2
  5.9565337700  3.467742E-03  -4.452390E-02  -4.937509E-01   6.574775E-02
  2.5305275400 -2.769953E-02   2.028195E-01  -4.143001E-01   5.466750E-02
  0.8439050200  3.086256E-01  -1.197056E+00  -2.943307E-01   2.715599E-01
  0.2050599900  8.310920E-01   7.720184E-01  -1.304690E-01  -1.049668E+00

Er (4sp4df) min-pbe0 min-pbe0-q22
  2
  1  0  1  4  3  2
  2.1752932800  6.552281E-01   2.208943E-01  -1.291752E+00   2.157104E-01  -3.523005E-01
  0.9542497500 -9.349224E-01  -3.815052E-01   3.388020E+00  -6.504496E-01   1.021465E+00
  0.3359922200 -5.723487E-01  -3.348263E-01  -2.530856E+00  -5.570389E-01  -4.907839E-01
  0.0492355200  7.664999E-03   1.139463E+00   6.293644E-01  -3.003198E-02  -8.093577E-01
  1  2  3  4  1  1
  6.2623604500  3.879830E-03  -4.951288E-01
  2.6740651300 -2.590142E-02  -4.127200E-01
  0.8927500000  2.976387E-01  -2.931182E-01
  0.2173556700  8.378572E-01  -1.306927E-01

Er (4sp4df) sv-pbe0 sv-pbe0-q22
  2
  1  0  1  4  3  2
  2.1752932800  6.552281E-01   2.208943E-01  -1.291752E+00   2.157104E-01  -3.523005E-01
  0.9542497500 -9.349224E-01  -3.815052E-01   3.388020E+00  -6.504496E-01   1.021465E+00
  0.3359922200 -5.723487E-01  -3.348263E-01  -2.530856E+00  -5.570389E-01  -4.907839E-01
  0.0492355200  7.664999E-03   1.139463E+00   6.293644E-01  -3.003198E-02  -8.093577E-01
  1  2  3  4  2  2
  6.2623604500  3.879830E-03  -4.737119E-02  -4.951288E-01   6.358080E-02
  2.6740651300 -2.590142E-02   2.060998E-01  -4.127200E-01   4.865936E-02
  0.8927500000  2.976387E-01  -1.201779E+00  -2.931182E-01   2.843779E-01
  0.2173556700  8.378572E-01   7.659741E-01  -1.306927E-01  -1.052147E+00

Tm (4sp4df) min-pbe0 min-pbe0-q23
  2
  1  0  1  4  3  2
  2.2420859600  6.678150E-01   2.227402E-01  -1.343325E+00   2.103011E-01  -3.575832E-01
  1.0092001400 -9.382310E-01  -3.767825E-01   3.418041E+00  -6.434881E-01   1.013984E+00
  0.3506629500 -5.837429E-01  -3.351874E-01  -2.491548E+00  -5.645342E-01  -4.758116E-01
  0.0501534500  7.540937E-03   1.135744E+00   6.120211E-01  -3.108283E-02  -8.155283E-01
  1  2  3  4  1  1
  6.6195546900  4.078880E-03  -4.934034E-01
  2.8366890400 -2.248452E-02  -4.129330E-01
  0.9488666900  2.886615E-01  -2.931049E-01
  0.2317132500  8.426946E-01  -1.319976E-01

Tm (4sp4df) sv-pbe0 sv-pbe0-q23
  2
  1  0  1  4  3  2
  2.2420859600  6.678150E-01   2.227402E-01  -1.343325E+00   2.103011E-01  -3.575832E-01
  1.0092001400 -9.382310E-01  -3.767825E-01   3.418041E+00  -6.434881E-01   1.013984E+00
  0.3506629500 -5.837429E-01  -3.351874E-01  -2.491548E+00  -5.645342E-01  -4.758116E-01
  0.0501534500  7.540937E-03   1.135744E+00   6.120211E-01  -3.108283E-02  -8.155283E-01
  1  2  3  4  2  2
  6.6195546900  4.078880E-03  -4.941671E-02  -4.934034E-01   6.210814E-02
  2.8366890400 -2.248452E-02   2.045220E-01  -4.129330E-01   4.425363E-02
  0.9488666900  2.886615E-01  -1.203431E+00  -2.931049E-01   2.960634E-01
  0.2317132500  8.426946E-01   7.621765E-01  -1.319976E-01  -1.054251E+00

Yb (4sp4df) min-pbe0 min-pbe0-q24
  2
  1  0  1  4  3  2
  2.3862296800  5.971595E-01   1.975379E-01  -1.030246E+00   1.507306E-01  -2.908198E-01
  0.9387779100 -9.703218E-01  -3.983754E-01   3.097068E+00  -6.492237E-01   1.035598E+00
  0.3365610900 -4.812464E-01  -2.763068E-01  -2.547903E+00  -5.115619E-01  -6.016590E-01
  0.0504500800  6.334133E-03   1.129755E+00   6.639019E-01  -2.543283E-02  -7.573104E-01
  1  2  3  4  1  1
  6.8817105000  5.244081E-03  -5.023180E-01
  2.9790285200 -3.368680E-02  -4.087081E-01
  0.9924178700  2.791899E-01  -2.869224E-01
  0.2412534900  8.521208E-01  -1.293909E-01

Yb (4sp4df) sv-pbe0 sv-pbe0-q24
  2
  1  0  1  4  3  2
  2.3862296800  5.971595E-01   1.975379E-01  -1.030246E+00   1.507306E-01  -2.908198E-01
  0.9387779100 -9.703218E-01  -3.983754E-01   3.097068E+00  -6.492237E-01   1.035598E+00
  0.3365610900 -4.812464E-01  -2.763068E-01  -2.547903E+00  -5.115619E-01  -6.016590E-01
  0.0504500800  6.334133E-03   1.129755E+00   6.639019E-01  -2.543283E-02  -7.573104E-01
  1  2  3  4  2  2
  6.8817105000  5.244081E-03  -5.629861E-02  -5.023180E-01   5.818522E-02
  2.9790285200 -3.368680E-02   2.421630E-01  -4.087081E-01   3.494750E-02
  0.9924178700  2.791899E-01  -1.225533E+00  -2.869224E-01   3.087192E-01
  0.2412534900  8.521208E-01   7.519732E-01  -1.293909E-01  -1.056283E+00

Lu (4sp4df) min-pbe0 min-pbe0-q25
  2
  1  0  1  4  3  2
  2.4692179900 -6.636850E-01  -2.776875E-01   1.390695E+00   2.018104E-01  -3.587240E-01
  1.0997807100  9.267351E-01   4.684394E-01  -3.742423E+00  -6.319778E-01   1.173130E+00
  0.4081693400  5.849209E-01   4.542997E-01   2.957868E+00  -5.575908E-01  -5.703174E-01
  0.0804556500 -4.776902E-03  -1.224370E+00  -8.433957E-01  -3.280328E-02  -7.499196E-01
  1  2  3  4  1  1
  7.3328552700  7.306623E-03  -5.054992E-01
  3.3039454000 -3.995311E-02  -4.095126E-01
  1.1487476300  2.882708E-01  -2.736810E-01
  0.3120689800  8.350442E-01  -9.281891E-02

Lu (4sp4df) sv-pbe0 sv-pbe0-q25
  2
  1  0  1  4  3  2
  2.4692179900 -6.636850E-01  -2.776875E-01   1.390695E+00   2.018104E-01  -3.587240E-01
  1.0997807100  9.267351E-01   4.684394E-01  -3.742423E+00  -6.319778E-01   1.173130E+00
  0.4081693400  5.849209E-01   4.542997E-01   2.957868E+00  -5.575908E-01  -5.703174E-01
  0.0804556500 -4.776902E-03  -1.224370E+00  -8.433957E-01  -3.280328E-02  -7.499196E-01
  1  2  3  4  2  2
  7.3328552700  7.306623E-03  -6.992718E-02  -5.054992E-01   5.475974E-02
  3.3039454000 -3.995311E-02   2.831116E-01  -4.095126E-01   5.996518E-02
  1.1487476300  2.882708E-01  -1.295870E+00  -2.736810E-01   2.502013E-01
  0.3120689800  8.350442E-01   8.384570E-01  -9.281891E-02  -1.064845E+00

Hf (4sp3d) min-pbe0 min-pbe0-q12 sv-pbe0 sv-pbe0-q12
  2
  1  0  1  4  3  2
  2.1012423800 -4.758218E+00   1.788256E+00  -1.705103E+01   2.325372E+00  -3.356718E+00
  1.8908538700  4.763092E+00  -1.824551E+00   1.910810E+01  -2.578365E+00   3.857877E+00
  0.5068545800  8.001757E-01  -5.138778E-01  -2.415085E+00  -7.081777E-01  -2.079298E-01
  0.0732230300  1.271835E-03   1.171285E+00   5.553101E-01  -4.241143E-02  -9.008032E-01
  2  2  2  3  2
  0.8802982200 -3.497002E-01   3.264164E-01
  0.2883868000 -5.126205E-01   5.496353E-01
  0.0846791800 -3.879238E-01  -1.042822E+00

Ta (4sp3d) min-pbe0 min-pbe0-q13 sv-pbe0 sv-pbe0-q13
  2
  1  0  1  4  3  2
  2.8406766000  7.143060E-01   2.395910E-01  -1.915588E+00   3.393604E-01  -4.396160E-01
  1.5215192800 -7.516254E-01  -2.973046E-01   4.181298E+00  -6.219862E-01   1.019030E+00
  0.5348434900 -8.072008E-01  -5.337996E-01  -2.572619E+00  -6.713283E-01  -2.911508E-01
  0.0814620400  4.679655E-03   1.184734E+00   5.964583E-01  -4.104212E-02  -8.815617E-01
  2  2  2  3  2
  1.0477086200 -3.282539E-01   2.979984E-01
  0.3627736400 -5.239268E-01   5.853672E-01
  0.1082485300 -3.822654E-01  -1.060415E+00

W  (4sp3d) min-pbe0 min-pbe0-q14 sv-pbe0 sv-pbe0-q14
  2
  1  0  1  4  3  2
  2.8919276800  7.948853E-01   2.654691E-01  -2.163280E+00   3.779725E-01  -5.064073E-01
  1.6433131200 -8.254627E-01  -3.250984E-01   4.466374E+00  -6.582173E-01   1.096184E+00
  0.5752544200 -8.103157E-01  -5.382765E-01  -2.603185E+00  -6.737202E-01  -3.026158E-01
  0.0880237800  3.660178E-03   1.186307E+00   6.023163E-01  -3.914524E-02  -8.790034E-01
  2  2  2  3  2
  1.1658442200 -3.267863E-01   2.869218E-01
  0.4177928500 -5.307037E-01   5.931853E-01
  0.1271698300 -3.655389E-01  -1.076436E+00

Re (4sp3d) min-pbe0 min-pbe0-q15 sv-pbe0 sv-pbe0-q15
  2
  1  0  1  4  3  2
  2.9810608900  8.181189E-01  -2.694159E-01   1.996950E+00   3.558203E-01  -5.005609E-01
  1.6559105000 -8.998087E-01   3.612087E-01  -4.372778E+00  -6.721606E-01   1.163582E+00
  0.5982611500 -7.574322E-01   5.071312E-01   2.703389E+00  -6.440152E-01  -3.950117E-01
  0.0936308800  3.579332E-03  -1.185147E+00  -6.356122E-01  -3.424681E-02  -8.486697E-01
  2  2  2  3  2
  1.2800585700 -3.269019E-01   2.786449E-01
  0.4711043600 -5.355785E-01   5.987676E-01
  0.1456896500 -3.516243E-01  -1.089389E+00

Os (4sp3d) min-pbe0 min-pbe0-q16 sv-pbe0 sv-pbe0-q16
  2
  1  0  1  4  3  2
  3.1187215900  8.247987E-01  -2.598272E-01   1.906635E+00   3.478970E-01   5.143414E-01
  1.7011162000 -9.384277E-01   3.699254E-01  -4.332723E+00  -6.825708E-01  -1.389760E+00
  0.6281196700 -7.240004E-01   4.887434E-01   2.774220E+00  -6.262692E-01   1.285403E+00
  0.0991349600  3.469818E-03  -1.183435E+00  -6.542077E-01  -3.120606E-02  -1.090100E+00
  2  2  2  3  2
  1.3759032400 -3.334657E-01   1.245824E-01
  0.5169289700 -5.372441E-01   7.586387E-01
  0.1623292300 -3.362178E-01  -1.158730E+00

Ir (4sp3d) min-pbe0 min-pbe0-q17 sv-pbe0 sv-pbe0-q17
  2
  1  0  1  4  3  2
  3.2447603000  8.555498E-01  -2.517368E-01   1.863785E+00   3.514495E-01   5.351215E-01
  1.7842245700 -9.856108E-01   3.683077E-01  -4.314155E+00  -6.947484E-01  -1.440869E+00
  0.6647922200 -7.056619E-01   4.814161E-01   2.785019E+00  -6.190181E-01   1.313607E+00
  0.1044789900  2.973725E-03  -1.181232E+00  -6.548966E-01  -2.930746E-02  -1.085549E+00
  2  2  2  3  2
  1.4982771100 -3.292638E-01   1.009316E-01
  0.5735133400 -5.415682E-01   7.845667E-01
  0.1815905200 -3.301854E-01  -1.171826E+00

Pt (4sp3d) min-pbe0 min-pbe0-q18 sv-pbe0 sv-pbe0-q18
  2
  1  0  1  4  3  2
  2.6805625900  5.287017E+00   2.189596E+00  -1.613335E+01   2.259375E+00   5.151208E+00
  2.4000300500 -5.408276E+00  -2.335572E+00   1.852715E+01  -2.584561E+00  -6.220710E+00
  0.7261396000 -6.849646E-01  -4.088570E-01  -2.811133E+00  -6.454193E-01   1.431972E+00
  0.1094292400 -3.556724E-03   1.159192E+00   6.565971E-01  -2.664804E-02  -9.962266E-01
  2  2  2  3  2
  1.1854876900 -5.298958E-01   2.217679E-01
  0.4105192000 -4.749973E-01   5.157255E-01
  0.1371522200 -1.883169E-01  -1.167440E+00

Au (4sp3d) min-pbe0 min-pbe0-q19 sv-pbe0 sv-pbe0-q19
  2
  1  0  1  4  3  2
  2.8328527600  5.526346E+00  -2.206980E+00   1.653049E+01   2.314413E+00   5.265607E+00
  2.5447317100 -5.653578E+00   2.352771E+00  -1.892319E+01  -2.653408E+00  -6.341233E+00
  0.7701900700 -6.772047E-01   4.016746E-01   2.798555E+00  -6.359202E-01   1.430038E+00
  0.1140481900 -3.503429E-03  -1.154944E+00  -6.467081E-01  -2.540081E-02  -9.863300E-01
  2  2  2  3  2
  1.2470265300 -5.461160E-01   2.154722E-01
  0.4339041200 -4.667246E-01   5.091223E-01
  0.1460084300 -1.746601E-01  -1.172833E+00

Hg (4sp3d) min-pbe0 min-pbe0-q12 sv-pbe0 sv-pbe0-q12
  2
  1  0  1  4  2  1
  1.9361355000  1.474378E-01  -1.898397E-01  1.733534E-02
  0.9892017300 -4.931161E-01   6.436400E-01 -8.082138E-02
  0.1675195800  7.264529E-01  -2.125225E+00  2.635642E-01
  0.0593280800  4.771151E-01   1.850089E+00  8.067889E-01
  2  2  2  3  2
  1.4710362500 -4.747122E-01   7.417533E-02
  0.5630206200 -4.857324E-01   7.459885E-01
  0.1910074100 -2.226475E-01  -1.239361E+00

Tl (4sp3d) min-pbe0 min-pbe0-q13 sv-pbe0 sv-pbe0-q13
  2
  1  0  1  4  2  2
  1.5158591500  1.539939E+00  -1.513391E+00   3.340729E-01  -5.809166E-01
  1.3558663100 -1.891358E+00   1.851915E+00  -3.925714E-01   6.852873E-01
  0.1660322400  9.400822E-01  -1.707829E+00   4.850501E-01  -1.315371E+00
  0.0506121500  2.616644E-01   1.666307E+00   6.295506E-01   1.190382E+00
  2  2  2  3  2
  1.5294754800 -5.131876E-01  -1.406826E-01
  0.5982116200 -4.695842E-01   1.006066E+00
  0.2170743400 -1.788638E-01  -1.361095E+00

Pb (4sp3d) min-pbe0 min-pbe0-q14 sv-pbe0 sv-pbe0-q14
  2
  1  0  1  4  2  2
  1.6460530800  1.683961E+00  -1.574537E+00   3.396182E-01  -5.331158E-01
  1.4723329700 -2.061215E+00   1.926450E+00  -4.240852E-01   6.606152E-01
  0.1874312200  9.873251E-01  -1.742655E+00   5.620047E-01  -1.314703E+00
  0.0584074800  2.263902E-01   1.703482E+00   5.584848E-01   1.245786E+00
  2  2  2  3  2
  1.8413218800 -4.322917E-01  -2.291087E-01
  0.7831317400 -5.040545E-01   1.177162E+00
  0.2917527200 -2.146488E-01  -1.408383E+00

Bi (4sp3d) min-pbe0 min-pbe0-q15 sv-pbe0 sv-pbe0-q15
  2
  1  0  1  4  2  2
  1.7739890000  1.800233E+00  -1.691684E+00   3.609115E-01  -5.346647E-01
  1.5858553500 -2.203579E+00   2.072434E+00  -4.554886E-01   6.689586E-01
  0.2132741200  1.012987E+00  -1.824799E+00   6.035067E-01  -1.336718E+00
  0.0687960200  2.162185E-01   1.757959E+00   5.167185E-01   1.295226E+00
  2  2  2  3  2
  1.9869766000 -4.307853E-01  -2.556327E-01
  0.8707728000 -5.053544E-01   1.242145E+00
  0.3356417900 -2.038187E-01  -1.452507E+00

Po (3s3p) min-pbe0 min-pbe0-q6
  3
  1  0  0  3  1
  0.6250991800 -3.842047E+00
  0.5498915900  3.930783E+00
  0.1463181000  7.505591E-01
  2  1  1  3  1
  1.1034082000 -9.741046E-02
  0.2409395100  6.378863E-01
  0.0787137800  4.864292E-01
  3  2  2  1  1
  0.2500000000  1.000000000

Po (3s3p) sv-pbe0 sv-pbe0-q6
  3
  1  0  0  3  2
  0.6250991800 -3.842047E+00   1.192756E+01
  0.5498915900  3.930783E+00  -1.377463E+01
  0.1463181000  7.505591E-01   1.908794E+00
  2  1  1  3  2
  1.1034082000 -9.741046E-02   1.237590E-01
  0.2409395100  6.378863E-01  -1.340226E+00
  0.0787137800  4.864292E-01   1.317713E+00
  3  2  2  1  1
  0.2500000000  1.000000000

At (3s3p) min-pbe0 min-pbe0-q7
  3
  1  0  0  3  1
  0.6477267100 -5.169620E+00
  0.5819367500  5.312715E+00
  0.1560509900  6.869875E-01
  2  1  1  3  1
  1.0948431900 -1.529446E-01
  0.2894822500  6.462958E-01
  0.0946053200  5.078024E-01
  3  2  2  1  1
  0.2500000000  1.000000000

At (3s3p) sv-pbe0 sv-pbe0-q7
  3
  1  0  0  3  2
  0.6477267100 -5.169620E+00   1.499689E+01
  0.5819367500  5.312715E+00  -1.687140E+01
  0.1560509900  6.869875E-01   1.990342E+00
  2  1  1  3  2
  1.0948431900 -1.529446E-01   2.292364E-01
  0.2894822500  6.462958E-01  -1.444652E+00
  0.0946053200  5.078024E-01   1.335483E+00
  3  2  2  1  1
  0.2500000000  1.000000000

Rn (3s3p) min-pbe0 min-pbe0-q8
  3
  1  0  0  3  1
  0.6913067700 -5.442919E+00
  0.6214403600  5.611550E+00
  0.1698753400  6.574221E-01
  2  1  1  3  1
  1.1417798400 -1.666300E-01
  0.3251461100  6.619896E-01
  0.1074717600  5.013081E-01
  3  2  2  1  1
  0.2500000000  1.000000000

Rn (3s3p) sv-pbe0 sv-pbe0-q8
  3
  1  0  0  3  2
  0.6913067700 -5.442919E+00   1.519655E+01
  0.6214403600  5.611550E+00  -1.710963E+01
  0.1698753400  6.574221E-01   2.042581E+00
  2  1  1  3  2
  1.1417798400 -1.666300E-01   2.540108E-01
  0.3251461100  6.619896E-01  -1.484305E+00
  0.1074717600  5.013081E-01   1.356468E+00
  3  2  2  1  1
  0.2500000000  1.000000000
