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 16:23:09      -21.917396         4.505957
BFGS:    1 16:23:09      -22.087231         2.509462
BFGS:    2 16:23:09      -22.228377         2.323662
BFGS:    3 16:23:09      -22.370098         2.569737
BFGS:    4 16:23:09      -22.535444         3.306903
BFGS:    5 16:23:09      -22.740820         4.237164
BFGS:    6 16:23:09      -22.974449         4.894056
BFGS:    7 16:23:09      -23.202872         4.854709
BFGS:    8 16:23:09      -23.381294         3.781876
BFGS:    9 16:23:09      -23.472370         2.167221
BFGS:   10 16:23:09      -23.498294         2.260986
BFGS:   11 16:23:09      -23.588700         2.147849
BFGS:   12 16:23:09      -23.697588         2.814611
BFGS:   13 16:23:09      -23.885886         3.017889
BFGS:   14 16:23:09      -24.067419         2.953498
BFGS:   15 16:23:09      -24.238983         2.851411
BFGS:   16 16:23:09      -24.401258         2.787431
BFGS:   17 16:23:09      -24.555644         2.770657
BFGS:   18 16:23:09      -24.702605         2.781507
BFGS:   19 16:23:09      -24.841157         2.787078
BFGS:   20 16:23:09      -24.968976         2.743714
BFGS:   21 16:23:09      -25.083023         2.588459
BFGS:   22 16:23:09      -25.180755         2.211798
BFGS:   23 16:23:09      -25.257231         1.418670
BFGS:   24 16:23:09      -25.291375         0.419200
BFGS:   25 16:23:09      -25.295649         0.098424
BFGS:   26 16:23:09      -25.295943         0.012076
BFGS:   27 16:23:09      -25.295947         0.000324
BFGS:   28 16:23:09      -25.295947         0.000104
BFGS:   29 16:23:09      -25.295947         0.000002
BFGS:   30 16:23:09      -25.295947         0.000000
BFGS:   31 16:23:09      -25.295947         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.8131139579248466e-31 eV/Angstrom
Maximum stress component: 3.164345649874432e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge']
basis =  [[1.33501017e-32 3.55976749e-33 1.44416448e-32]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 7.20109489e-34 7.50000000e-01]]
cellpar =  Cell([[5.883891192436767, -3.410271175263959e-36, -2.6013458234192753e-36], [1.0380133061860284e-34, 5.883891192436768, -4.025643569601449e-18], [9.366095080407161e-36, -3.2628174925167472e-18, 3.048986261660641]])
forces =  [[-1.08786837e-31 -4.53278489e-32  8.22098752e-33]
 [-3.62622792e-32  1.81311396e-31  9.39541431e-33]
 [ 3.62622792e-32  9.06556979e-33 -6.20248600e-51]
 [-1.44659683e-66 -8.15901281e-32 -2.34885358e-33]]
stress =  [ 3.16434565e-12  3.16434565e-12  7.21198355e-13  1.03302270e-29
 -9.12565396e-48 -4.15875368e-63]
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