element(s):
['Ge']
AFLOW prototype label:
A_tI4_141_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1602', '0.55650944']
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 =  141
cell =  [[5.1602, 0, 0], [0, 5.1602, 0], [0, 0, 2.8717]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:47:31      -21.917396         4.505957
BFGS:    1 09:47:31      -22.087231         2.509462
BFGS:    2 09:47:31      -22.228377         2.323662
BFGS:    3 09:47:31      -22.370098         2.569737
BFGS:    4 09:47:31      -22.535444         3.306903
BFGS:    5 09:47:31      -22.740820         4.237164
BFGS:    6 09:47:31      -22.974449         4.894056
BFGS:    7 09:47:31      -23.202872         4.854709
BFGS:    8 09:47:31      -23.381294         3.781876
BFGS:    9 09:47:31      -23.472370         2.167221
BFGS:   10 09:47:31      -23.498294         2.260986
BFGS:   11 09:47:31      -23.588700         2.147849
BFGS:   12 09:47:31      -23.697588         2.814611
BFGS:   13 09:47:31      -23.885886         3.017889
BFGS:   14 09:47:31      -24.067419         2.953498
BFGS:   15 09:47:31      -24.238983         2.851411
BFGS:   16 09:47:31      -24.401258         2.787431
BFGS:   17 09:47:31      -24.555644         2.770657
BFGS:   18 09:47:31      -24.702605         2.781507
BFGS:   19 09:47:31      -24.841157         2.787078
BFGS:   20 09:47:31      -24.968976         2.743714
BFGS:   21 09:47:31      -25.083023         2.588459
BFGS:   22 09:47:31      -25.180755         2.211798
BFGS:   23 09:47:31      -25.257231         1.418670
BFGS:   24 09:47:31      -25.291375         0.419200
BFGS:   25 09:47:31      -25.295649         0.098424
BFGS:   26 09:47:31      -25.295943         0.012076
BFGS:   27 09:47:31      -25.295947         0.000324
BFGS:   28 09:47:31      -25.295947         0.000104
BFGS:   29 09:47:31      -25.295947         0.000002
BFGS:   30 09:47:31      -25.295947         0.000000
BFGS:   31 09:47:31      -25.295947         0.000000
Minimization converged after 31 steps.
Maximum force component: 8.15901281066181e-32 eV/Angstrom
Maximum stress component: 3.163347656270003e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 1.04879569e-32 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.51230611e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 3.92786994e-34 7.50000000e-01]]
cellpar =  Cell([[5.883891192436766, -2.931506044933524e-35, -1.4706422044376395e-36], [-1.9049952765259706e-35, 5.883891192436768, -1.0217624820194152e-17], [4.640913762956098e-36, -6.667254433953956e-18, 3.0489862616606405]])
forces =  [[-3.17294943e-32  3.62622792e-32 -6.29709747e-50]
 [-6.34589885e-32  1.81311396e-32 -3.14854874e-50]
 [ 5.43934187e-32 -9.06556979e-33  1.57427437e-50]
 [ 2.64159896e-67 -8.15901281e-32  1.41684693e-49]]
stress =  [3.16334766e-12 3.16334766e-12 7.19955330e-13 1.24880083e-29
 2.14709065e-35 9.10824541e-53]
energy per atom =  -6.323986710381978
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0