element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:01      -36.165946         1.045278
BFGS:    1 16:34:01      -36.237841         0.135047
BFGS:    2 16:34:01      -36.239507         0.128711
BFGS:    3 16:34:01      -36.240348         0.137210
BFGS:    4 16:34:01      -36.243061         0.123898
BFGS:    5 16:34:01      -36.245367         0.123261
BFGS:    6 16:34:01      -36.246765         0.112205
BFGS:    7 16:34:01      -36.247176         0.093628
BFGS:    8 16:34:01      -36.247443         0.074356
BFGS:    9 16:34:01      -36.247840         0.047523
BFGS:   10 16:34:01      -36.248230         0.044799
BFGS:   11 16:34:01      -36.248405         0.019455
BFGS:   12 16:34:01      -36.248432         0.003165
BFGS:   13 16:34:01      -36.248433         0.000352
BFGS:   14 16:34:01      -36.248433         0.000019
BFGS:   15 16:34:01      -36.248433         0.000001
BFGS:   16 16:34:01      -36.248433         0.000000
BFGS:   17 16:34:01      -36.248433         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.0250799136896558e-09 eV/Angstrom
Maximum stress component: 1.9745289946819788e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18697074e-01 8.18697074e-01 0.00000000e+00]
 [1.81302926e-01 1.81302926e-01 6.19261253e-36]
 [1.81302926e-01 8.18697074e-01 0.00000000e+00]
 [8.18697074e-01 1.81302926e-01 4.64445940e-36]
 [3.18697074e-01 3.18697074e-01 5.00000000e-01]
 [6.81302926e-01 6.81302926e-01 5.00000000e-01]
 [6.81302926e-01 3.18697074e-01 5.00000000e-01]
 [3.18697074e-01 6.81302926e-01 5.00000000e-01]]
cellpar =  Cell([[6.651406919837831, 8.230409513468454e-37, 3.196944429481836e-35], [1.3183515009227919e-36, 6.651406919837831, 2.359799956192063e-19], [-1.3970944672410954e-33, 1.3816421337191124e-19, 3.8875554014259497]])
forces =  [[ 1.02507991e-09  1.02507991e-09  3.64638336e-29]
 [-1.02507991e-09 -1.02507991e-09 -3.62961213e-29]
 [-1.02507991e-09  1.02507991e-09  3.63081007e-29]
 [ 1.02507991e-09 -1.02507991e-09 -3.64159158e-29]
 [ 1.02507991e-09  1.02507991e-09  3.64398747e-29]
 [-1.02507991e-09 -1.02507991e-09 -3.62721624e-29]
 [-1.02507991e-09  1.02507991e-09  3.63200802e-29]
 [ 1.02507991e-09 -1.02507991e-09 -3.64338850e-29]]
stress =  [ 1.97452899e-10  1.97452899e-10 -6.22304292e-11  2.89079893e-26
  4.76683754e-34 -7.97450862e-50]
energy per atom =  -4.531054108409883
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0