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 17:11:26      -21.917396        4.5060
BFGS:    1 17:11:26      -22.087231        2.5095
BFGS:    2 17:11:26      -22.228377        2.3237
BFGS:    3 17:11:26      -22.370098        2.5697
BFGS:    4 17:11:26      -22.535444        3.3069
BFGS:    5 17:11:26      -22.740820        4.2372
BFGS:    6 17:11:26      -22.974449        4.8941
BFGS:    7 17:11:26      -23.202872        4.8547
BFGS:    8 17:11:26      -23.381294        3.7819
BFGS:    9 17:11:26      -23.472370        2.1672
BFGS:   10 17:11:26      -23.498294        2.2610
BFGS:   11 17:11:26      -23.588700        2.1478
BFGS:   12 17:11:26      -23.697588        2.8146
BFGS:   13 17:11:26      -23.885886        3.0179
BFGS:   14 17:11:26      -24.067419        2.9535
BFGS:   15 17:11:26      -24.238983        2.8514
BFGS:   16 17:11:26      -24.401258        2.7874
BFGS:   17 17:11:26      -24.555644        2.7707
BFGS:   18 17:11:26      -24.702605        2.7815
BFGS:   19 17:11:26      -24.841157        2.7871
BFGS:   20 17:11:26      -24.968976        2.7437
BFGS:   21 17:11:26      -25.083023        2.5885
BFGS:   22 17:11:26      -25.180755        2.2118
BFGS:   23 17:11:26      -25.257231        1.4187
BFGS:   24 17:11:26      -25.291375        0.4192
BFGS:   25 17:11:26      -25.295649        0.0984
BFGS:   26 17:11:26      -25.295943        0.0121
BFGS:   27 17:11:26      -25.295947        0.0003
BFGS:   28 17:11:26      -25.295947        0.0001
BFGS:   29 17:11:26      -25.295947        0.0000
BFGS:   30 17:11:26      -25.295947        0.0000
BFGS:   31 17:11:26      -25.295947        0.0000
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