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:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000
==== 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 15:40:54      -33.394557         0.570388
BFGS:    1 15:40:54      -33.408169         0.543280
BFGS:    2 15:40:54      -33.477004         0.373281
BFGS:    3 15:40:54      -33.519665         0.193534
BFGS:    4 15:40:54      -33.534423         0.001233
BFGS:    5 15:40:54      -33.534424         0.000039
BFGS:    6 15:40:54      -33.534424         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.5446338633307297e-31 eV/Angstrom
Maximum stress component: 3.2221410301410737e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.85220078e-33 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([[5.630324324443249, 3.578895227126321e-34, -3.4399801219991645e-34], [-3.579906220209912e-34, 5.630324324443249, 8.332196602013138e-18], [-8.927654164290957e-33, 8.33219660201315e-18, 5.630324324443249]])
forces =  [[-5.78325878e-32  1.79281022e-31 -1.44581470e-31]
 [ 2.54463386e-31 -1.50364728e-31 -5.78325878e-33]
 [-1.15665176e-31 -2.89162939e-32 -4.91576996e-32]
 [ 2.31330351e-31 -5.20493290e-32 -8.67488817e-32]
 [-1.15665176e-32 -2.31330351e-32  1.09881917e-31]
 [ 8.67488817e-32  1.96630799e-31  8.09656229e-32]
 [-5.78325878e-32  2.37113610e-31  3.18079233e-32]
 [ 1.27231693e-31 -5.78325878e-33  1.27231693e-31]]
stress =  [ 3.22214103e-10  3.22214103e-10  3.22214103e-10  7.15466916e-26
 -6.48040852e-35 -7.19477671e-51]
energy per atom =  -4.191802942542155
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0