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 16:57:41      -16.401241        3.8496
BFGS:    1 16:57:41      -16.765779        3.3647
BFGS:    2 16:57:41      -17.010929        2.9303
BFGS:    3 16:57:41      -17.187145        2.5062
BFGS:    4 16:57:41      -17.317613        2.0736
BFGS:    5 16:57:41      -17.413686        1.6273
BFGS:    6 16:57:41      -17.481725        1.1702
BFGS:    7 16:57:41      -17.526298        0.7110
BFGS:    8 16:57:41      -17.552091        0.4988
BFGS:    9 16:57:41      -17.564734        0.5027
BFGS:   10 16:57:41      -17.575929        0.4095
BFGS:   11 16:57:41      -17.586829        0.1885
BFGS:   12 16:57:41      -17.589225        0.0661
BFGS:   13 16:57:41      -17.589534        0.0537
BFGS:   14 16:57:41      -17.589605        0.0476
BFGS:   15 16:57:41      -17.589803        0.0264
BFGS:   16 16:57:41      -17.589959        0.0248
BFGS:   17 16:57:41      -17.590043        0.0119
BFGS:   18 16:57:41      -17.590062        0.0091
BFGS:   19 16:57:41      -17.590069        0.0069
BFGS:   20 16:57:41      -17.590076        0.0061
BFGS:   21 16:57:41      -17.590080        0.0029
BFGS:   22 16:57:41      -17.590080        0.0005
BFGS:   23 16:57:41      -17.590080        0.0001
BFGS:   24 16:57:41      -17.590080        0.0000
BFGS:   25 16:57:41      -17.590080        0.0000
BFGS:   26 16:57:41      -17.590080        0.0000
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.