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 16:29:33      -37.899883         0.263604
BFGS:    1 16:29:33      -37.902770         0.247526
BFGS:    2 16:29:33      -37.923437         0.025228
BFGS:    3 16:29:33      -37.923643         0.001073
BFGS:    4 16:29:33      -37.923644         0.000004
BFGS:    5 16:29:33      -37.923644         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.1215758975479443e-31 eV/Angstrom
Maximum stress component: 3.108299913956562e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.82352467e-34]
 [5.00000000e-01 6.41973233e-34 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([[5.426835511110343, -1.6562341401330154e-34, -1.8296591940529074e-35], [9.760648591983773e-35, 5.426835511110343, 1.1421535271557197e-21], [-1.597864922421591e-35, 1.1421535271557285e-21, 5.426835511110343]])
forces =  [[ 7.80393974e-32 -3.34454560e-32  1.11484853e-31]
 [ 2.22969707e-32  3.12157590e-31 -2.45266678e-31]
 [ 2.45266678e-31  1.33781824e-31  1.11484853e-31]
 [ 2.22969707e-32 -3.12157590e-31 -1.11484853e-31]
 [-2.22969707e-31  8.91878828e-32 -9.54589058e-32]
 [ 2.78712134e-33  1.33781824e-31  2.81562583e-53]
 [-1.08697732e-31 -1.21239778e-31 -2.92647740e-32]
 [-8.91878828e-32 -2.32724632e-31 -4.89801577e-53]]
stress =  [3.10829991e-11 3.10829991e-11 3.10829991e-11 5.71121020e-27
 8.37061060e-34 1.99699565e-49]
energy per atom =  -4.740455466266334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0