element(s):
['Ge']
AFLOW prototype label:
A_oI4_74_e
Parameter names:
['a', 'b/a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1963', '0.99289879', '0.54889056', '0.13235996']
model name:
SNAP_ZuoChenLi_2019_Ge__MO_183216355174_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0.         0.25       0.13235996]]
spacegroup =  74
cell =  [[5.1963, 0, 0], [0, 5.1594, 0], [0, 0, 2.8522]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:46      -16.401241         3.849560
BFGS:    1 09:47:46      -16.765779         3.364651
BFGS:    2 09:47:46      -17.010929         2.930320
BFGS:    3 09:47:46      -17.187145         2.506191
BFGS:    4 09:47:46      -17.317613         2.073622
BFGS:    5 09:47:46      -17.413686         1.627275
BFGS:    6 09:47:46      -17.481725         1.170213
BFGS:    7 09:47:46      -17.526298         0.710992
BFGS:    8 09:47:46      -17.552091         0.498818
BFGS:    9 09:47:46      -17.564734         0.502685
BFGS:   10 09:47:46      -17.575929         0.409452
BFGS:   11 09:47:46      -17.586829         0.188493
BFGS:   12 09:47:46      -17.589225         0.066143
BFGS:   13 09:47:46      -17.589534         0.053702
BFGS:   14 09:47:46      -17.589605         0.047609
BFGS:   15 09:47:46      -17.589803         0.026396
BFGS:   16 09:47:46      -17.589959         0.024763
BFGS:   17 09:47:46      -17.590043         0.011930
BFGS:   18 09:47:46      -17.590062         0.009114
BFGS:   19 09:47:46      -17.590069         0.006906
BFGS:   20 09:47:46      -17.590076         0.006112
BFGS:   21 09:47:46      -17.590080         0.002948
BFGS:   22 09:47:46      -17.590080         0.000511
BFGS:   23 09:47:46      -17.590080         0.000050
BFGS:   24 09:47:46      -17.590080         0.000003
BFGS:   25 09:47:46      -17.590080         0.000000
BFGS:   26 09:47:46      -17.590080         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.5349110837788486e-09 eV/Angstrom
Maximum stress component: 2.1450402497586768e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.    0.25  0.125]
 [0.    0.75  0.875]
 [0.5   0.75  0.625]
 [0.5   0.25  0.375]]
cellpar =  Cell([[5.284304016731054, -3.9477793681850984e-36, 0.0], [-1.6426788435966605e-35, 5.284304014229287, 0.0], [0.0, 0.0, 3.1742112363183237]])
forces =  [[ 2.03543987e-33 -1.52062930e-69 -2.53491108e-09]
 [-2.03543987e-33  1.52062930e-69  2.53491108e-09]
 [ 2.03543987e-33 -1.52062930e-69 -2.53491108e-09]
 [-2.03543987e-33  1.52062930e-69  2.53491108e-09]]
stress =  [ 9.98180672e-11 -1.17595383e-10 -2.14504025e-10  0.00000000e+00
  0.00000000e+00 -2.20706373e-34]
energy per atom =  0.294979258196598
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oI4_74_e, while relaxed is A_tI4_141_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.