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 17:27:12      -40.823241        2.4070
BFGS:    1 17:27:12      -41.065683        2.2934
BFGS:    2 17:27:12      -41.397229        2.1270
BFGS:    3 17:27:12      -41.703719        1.9592
BFGS:    4 17:27:12      -41.984920        1.7898
BFGS:    5 17:27:12      -42.240580        1.6186
BFGS:    6 17:27:12      -42.470417        1.4455
BFGS:    7 17:27:12      -42.674142        1.2712
BFGS:    8 17:27:12      -42.852325        1.1068
BFGS:    9 17:27:12      -43.006808        0.9550
BFGS:   10 17:27:12      -43.139419        0.8150
BFGS:   11 17:27:12      -43.251838        0.6856
BFGS:   12 17:27:12      -43.345576        0.5657
BFGS:   13 17:27:12      -43.421952        0.4539
BFGS:   14 17:27:12      -43.482063        0.3486
BFGS:   15 17:27:12      -43.526761        0.2481
BFGS:   16 17:27:12      -43.556628        0.1505
BFGS:   17 17:27:12      -43.571954        0.0538
BFGS:   18 17:27:12      -43.574190        0.0004
BFGS:   19 17:27:12      -43.574190        0.0000
BFGS:   20 17:27:12      -43.574190        0.0000
Minimization converged after 20 steps.
Maximum force component: 2.548995797148615e-31 eV/Angstrom
Maximum stress component: 3.816766949443365e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[3.91605218e-33 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.90567087e-33]
 [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([[6.363049456708286, 2.7383669817802745e-33, -3.9049694842524964e-33], [-1.638842653160234e-33, 6.363049456708286, -4.288017870955327e-17], [-1.993379102255793e-33, -4.288017870955328e-17, 6.363049456708286]])
forces =  [[-1.80394250e-65  6.20909233e-32  6.53588666e-33]
 [-3.92153200e-32 -1.83004826e-31 -5.55550366e-32]
 [ 6.53588666e-33  2.54899580e-31  2.61435466e-32]
 [-5.22870933e-32 -1.92808656e-31 -2.61435466e-32]
 [-2.61435466e-32 -6.53588666e-32 -4.49342208e-33]
 [ 1.63397166e-32  1.56861280e-31  1.17645960e-31]
 [-9.80382999e-33 -9.80382999e-33 -4.24832633e-32]
 [-5.02415030e-65  9.96722716e-32  7.84306399e-32]]
stress =  [-3.81676695e-12 -3.81676695e-12 -3.81676695e-12  1.73458426e-27
 -1.08651896e-61 -4.09745401e-61]
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