element(s):
['Si']
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:
['5.4673']
model name:
ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:43:36      -37.899883         0.263604
BFGS:    1 15:43:36      -37.902770         0.247526
BFGS:    2 15:43:37      -37.923437         0.025228
BFGS:    3 15:43:37      -37.923643         0.001073
BFGS:    4 15:43:37      -37.923644         0.000004
BFGS:    5 15:43:37      -37.923644         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.5920228434996317e-31 eV/Angstrom
Maximum stress component: 3.1082797210547273e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.   0.5 ]
 [0.75 0.25 0.75]
 [0.25 0.25 0.25]
 [0.25 0.75 0.75]
 [0.75 0.75 0.25]]
cellpar =  Cell([[5.426835511110342, -3.7854898071254186e-34, -4.5520086531989296e-36], [-2.5885899293713592e-48, 5.426835511110342, 2.803800668660534e-22], [3.86776760720298e-34, 2.8038006686681052e-22, 5.426835511110342]])
forces =  [[-4.45939414e-32  7.80393974e-32  1.11484853e-32]
 [-1.39356067e-31 -2.11821222e-31 -2.78712134e-32]
 [-6.68909121e-32 -8.91878828e-32 -2.22969707e-32]
 [-1.33781824e-31  2.50840920e-31 -1.95098494e-31]
 [ 2.00672736e-31 -2.22969707e-32  7.24651548e-32]
 [-1.10091293e-31 -2.22969707e-32  8.91878828e-32]
 [ 8.91878828e-32 -2.78712134e-32  5.99231087e-32]
 [-8.91878828e-32  2.59202284e-31  1.78375766e-31]]
stress =  [3.10827972e-11 3.10827972e-11 3.10827972e-11 1.23308191e-26
 1.39510177e-34 3.09365036e-50]
energy per atom =  -4.740455466266336
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0