element(s):
['Ge']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7441']
model name:
EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.7441, 0, 0], [0, 5.7441, 0], [0, 0, 5.7441]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:25:47      -40.823241         2.406989
BFGS:    1 15:25:47      -41.065683         2.293362
BFGS:    2 15:25:47      -41.397229         2.127029
BFGS:    3 15:25:47      -41.703719         1.959240
BFGS:    4 15:25:47      -41.984920         1.789835
BFGS:    5 15:25:47      -42.240580         1.618648
BFGS:    6 15:25:47      -42.470417         1.445508
BFGS:    7 15:25:47      -42.674142         1.271167
BFGS:    8 15:25:47      -42.852325         1.106782
BFGS:    9 15:25:47      -43.006808         0.955027
BFGS:   10 15:25:47      -43.139419         0.814987
BFGS:   11 15:25:47      -43.251838         0.685614
BFGS:   12 15:25:47      -43.345576         0.565700
BFGS:   13 15:25:47      -43.421952         0.453865
BFGS:   14 15:25:48      -43.482063         0.348559
BFGS:   15 15:25:48      -43.526761         0.248061
BFGS:   16 15:25:48      -43.556628         0.150491
BFGS:   17 15:25:48      -43.571954         0.053831
BFGS:   18 15:25:48      -43.574190         0.000390
BFGS:   19 15:25:48      -43.574190         0.000002
BFGS:   20 15:25:48      -43.574190         0.000000
Minimization converged after 20 steps.
Maximum force component: 4.0236552246656845e-32 eV/Angstrom
Maximum stress component: 3.816513193075708e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[5.83749538e-34 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.363049456708288, -1.825480391189592e-33, -2.2233252324323063e-33], [8.293523052534712e-33, 6.363049456708288, 1.3812876560377338e-17], [3.319297649917163e-34, 1.3812876560377335e-17, 6.363049456708288]])
forces =  [[-1.63397166e-33  2.12416316e-32 -1.63397166e-33]
 [ 3.10454616e-32  2.28756033e-32  7.35287249e-33]
 [ 1.30717733e-32 -3.59473766e-32  9.80382999e-33]
 [ 1.63397166e-33  4.02365522e-32  1.55227308e-32]
 [ 9.80382999e-33 -3.76870628e-51 -1.73609489e-33]
 [ 3.26794333e-33 -2.28756033e-32  6.53588666e-33]
 [-1.55227308e-32  1.14378017e-32  1.14378017e-32]
 [-1.96076600e-32 -1.63397166e-33 -9.80382999e-33]]
stress =  [-3.81651319e-12 -3.81651319e-12 -3.81651319e-12 -4.82421840e-28
 -5.07386154e-35 -1.08144003e-50]
energy per atom =  -5.446773718837823
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0