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_WR_WangRockett_1991_Si__MO_081872846741_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 16:29:31      -37.021778         0.239722
BFGS:    1 16:29:31      -37.024165         0.224957
BFGS:    2 16:29:31      -37.041367         0.002096
BFGS:    3 16:29:31      -37.041368         0.000066
BFGS:    4 16:29:31      -37.041368         0.000000
BFGS:    5 16:29:31      -37.041368         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.256147843176356e-31 eV/Angstrom
Maximum stress component: 8.449629204529217e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.05432527e-33 7.06173697e-34 2.71915751e-34]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.66843217e-34]
 [5.00000000e-01 1.60369225e-33 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([[5.430477371643324, 1.3165407438023078e-39, -3.88579500949965e-35], [-3.782976393818049e-34, 5.430477371643324, 7.904042360422579e-20], [2.631094241785578e-33, 7.904042360421182e-20, 5.430477371643324]])
forces =  [[ 5.57798346e-32  2.28697322e-31  8.36697519e-32]
 [-5.57798346e-32  2.06385388e-31  8.92477353e-32]
 [ 1.25504628e-32  3.25614784e-31  2.30091818e-32]
 [ 1.00403702e-31 -1.67339504e-31  7.80917684e-32]
 [ 1.00403702e-31  2.23119338e-31 -1.41541330e-31]
 [-1.81284462e-31 -3.12367074e-31 -4.54649272e-51]
 [ 9.48257188e-32 -8.92477353e-32 -1.28293620e-31]
 [-1.00403702e-31 -2.26605578e-31  8.92477353e-32]]
stress =  [ 8.44962920e-15  8.44962920e-15  8.44962920e-15  6.91112390e-30
 -7.61370011e-64 -9.55060436e-65]
energy per atom =  -4.630170994175949
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0