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 15:43:36      -37.021778         0.239722
BFGS:    1 15:43:36      -37.024165         0.224957
BFGS:    2 15:43:36      -37.041367         0.002096
BFGS:    3 15:43:36      -37.041368         0.000066
BFGS:    4 15:43:36      -37.041368         0.000000
BFGS:    5 15:43:36      -37.041368         0.000000
Minimization converged after 5 steps.
Maximum force component: 2.6774320594854834e-31 eV/Angstrom
Maximum stress component: 8.449629204529218e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 6.73864539e-35]
 [9.62964972e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 6.41976648e-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([[5.430477371643324, 6.350538234710651e-40, -1.4875687266998797e-36], [3.320598526178761e-42, 5.430477371643324, 7.605681306373857e-27], [-6.978855580291155e-37, 7.605681306378267e-27, 5.430477371643324]])
forces =  [[ 2.23119338e-32 -1.28293620e-31 -4.46238677e-32]
 [ 3.34679007e-32  1.22715636e-31  1.33871603e-31]
 [-6.55413056e-32 -1.04935814e-31  2.23119338e-32]
 [ 5.57798346e-32 -2.23119338e-32  1.00403702e-31]
 [ 1.33871603e-31  7.80917684e-32 -9.76147105e-32]
 [-2.25908330e-31 -2.67743206e-31  4.46238677e-32]
 [ 1.17137653e-31 -5.02018511e-32  1.00403702e-31]
 [-1.33871603e-31 -4.88073553e-33  1.33871603e-31]]
stress =  [ 8.44962920e-15  8.44962920e-15  8.44962920e-15  3.75307621e-30
 -3.11844228e-68 -5.36400511e-71]
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