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 14:51:44      -33.399058         0.610423
BFGS:    1 14:51:44      -33.412686         0.579735
BFGS:    2 14:51:44      -33.476052         0.402624
BFGS:    3 14:51:44      -33.514749         0.218405
BFGS:    4 14:51:44      -33.529742         0.167999
BFGS:    5 14:51:44      -33.531549         0.125462
BFGS:    6 14:51:44      -33.534024         0.042858
BFGS:    7 14:51:45      -33.534188         0.026088
BFGS:    8 14:51:45      -33.534264         0.022276
BFGS:    9 14:51:45      -33.534283         0.017618
BFGS:   10 14:51:45      -33.534299         0.012684
BFGS:   11 14:51:45      -33.534323         0.011851
BFGS:   12 14:51:45      -33.534365         0.014128
BFGS:   13 14:51:45      -33.534404         0.011438
BFGS:   14 14:51:45      -33.534421         0.004280
BFGS:   15 14:51:45      -33.534423         0.000719
BFGS:   16 14:51:45      -33.534424         0.000045
BFGS:   17 14:51:45      -33.534424         0.000004
BFGS:   18 14:51:45      -33.534424         0.000000
BFGS:   19 14:51:45      -33.534424         0.000000
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 =  [[1.68132465e-35 0.00000000e+00 9.37500000e-02]
 [7.36648675e-36 2.27809585e-35 5.93750000e-01]
 [0.00000000e+00 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, 9.244783663703708e-18, -1.107510738746922e-36], [-1.9906202542345433, 3.447855418909904, -2.2045354388630466e-36], [-6.33485806589473e-36, -1.306657899262456e-35, 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 -8.99138615e-45  8.94711151e-09]
 [-6.59702226e-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  1.83293633e-33
  6.34947769e-34 -4.02267648e-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