element(s):
['Ge']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0525', '3.2827144', '0.093193141', '0.65583867']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Ge__MO_216597146527_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ge', 'Ge']
representative atom coordinates =  [[0.         0.         0.09319314]
 [0.33333333 0.66666667 0.15583867]]
spacegroup =  194
cell =  [[4.0525, 0, 0], [-2.02625, 3.5095679488364, 0], [0, 0, 13.3032]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:43:48      -33.399058        0.6104
BFGS:    1 15:43:48      -33.412686        0.5797
BFGS:    2 15:43:48      -33.476052        0.4026
BFGS:    3 15:43:48      -33.514749        0.2184
BFGS:    4 15:43:48      -33.529742        0.1680
BFGS:    5 15:43:48      -33.531549        0.1255
BFGS:    6 15:43:48      -33.534024        0.0429
BFGS:    7 15:43:48      -33.534188        0.0261
BFGS:    8 15:43:48      -33.534264        0.0223
BFGS:    9 15:43:48      -33.534283        0.0176
BFGS:   10 15:43:48      -33.534299        0.0127
BFGS:   11 15:43:48      -33.534323        0.0119
BFGS:   12 15:43:48      -33.534365        0.0141
BFGS:   13 15:43:48      -33.534404        0.0114
BFGS:   14 15:43:48      -33.534421        0.0043
BFGS:   15 15:43:48      -33.534423        0.0007
BFGS:   16 15:43:48      -33.534424        0.0000
BFGS:   17 15:43:48      -33.534424        0.0000
BFGS:   18 15:43:48      -33.534424        0.0000
BFGS:   19 15:43:48      -33.534424        0.0000
Minimization converged after 19 steps.
Maximum force component: 8.947111506398376e-09 eV/Angstrom
Maximum stress component: 2.2984693174989052e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge', 'Ge']
basis =  [[1.31181515e-35 5.42258031e-35 9.37500000e-02]
 [2.62369124e-35 6.52424883e-36 5.93750000e-01]
 [1.77286464e-36 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 8.43750000e-01]
 [3.33333333e-01 6.66666667e-01 3.43750000e-01]]
cellpar =  Cell([[3.9812405084690865, 9.317455690031005e-18, 1.0461861296595046e-36], [-1.9906202542345433, 3.447855418909904, 1.7544637154639766e-36], [4.487764663164584e-36, 3.626887507994636e-36, 13.00267705503623]])
forces =  [[-6.54301040e-32  1.13328264e-31 -8.94711151e-09]
 [-6.54301040e-32  1.13328264e-31 -8.94711151e-09]
 [-1.26770826e-31  2.12490496e-32  8.94711151e-09]
 [-1.30860208e-31  2.49534651e-45  8.94711151e-09]
 [ 4.67378042e-46 -1.13328264e-31  1.35411361e-09]
 [-3.27150520e-32  5.66641322e-32  1.35411361e-09]
 [-1.84022167e-31  2.05407479e-31 -1.35411361e-09]
 [ 9.81451560e-32 -5.66641322e-32 -1.35411361e-09]]
stress =  [-2.29846932e-10 -2.29846932e-10  6.58009702e-11  1.46634906e-33
  1.26989554e-33 -5.57323459e-26]
energy per atom =  -4.191802942542154
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0