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 17:21:29      -36.165946        1.0453
BFGS:    1 17:21:29      -36.237841        0.1350
BFGS:    2 17:21:29      -36.239507        0.1287
BFGS:    3 17:21:29      -36.240348        0.1372
BFGS:    4 17:21:29      -36.243061        0.1239
BFGS:    5 17:21:29      -36.245367        0.1233
BFGS:    6 17:21:29      -36.246765        0.1122
BFGS:    7 17:21:29      -36.247176        0.0936
BFGS:    8 17:21:29      -36.247443        0.0744
BFGS:    9 17:21:29      -36.247840        0.0475
BFGS:   10 17:21:29      -36.248230        0.0448
BFGS:   11 17:21:29      -36.248405        0.0195
BFGS:   12 17:21:29      -36.248432        0.0032
BFGS:   13 17:21:29      -36.248433        0.0004
BFGS:   14 17:21:29      -36.248433        0.0000
BFGS:   15 17:21:29      -36.248433        0.0000
BFGS:   16 17:21:29      -36.248433        0.0000
BFGS:   17 17:21:29      -36.248433        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.0250695719801966e-09 eV/Angstrom
Maximum stress component: 1.974535314277673e-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 2.97245402e-34]
 [1.81302926e-01 8.18697074e-01 0.00000000e+00]
 [8.18697074e-01 1.81302926e-01 3.46786302e-34]
 [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, -1.1028336404447896e-37, -3.196205061383716e-33], [3.9575751717642066e-38, 6.651406919837832, -8.928756655812198e-18], [7.407731495580814e-33, -5.167785039449173e-18, 3.887555401425954]])
forces =  [[ 1.02506957e-09  1.02506957e-09 -1.37603922e-27]
 [-1.02506957e-09 -1.02506957e-09  1.37603922e-27]
 [-1.02506957e-09  1.02506957e-09 -1.37594338e-27]
 [ 1.02506957e-09 -1.02506957e-09  1.37603922e-27]
 [ 1.02506957e-09  1.02506957e-09 -1.37594338e-27]
 [-1.02506957e-09 -1.02506957e-09  1.37599130e-27]
 [-1.02506957e-09  1.02506957e-09 -1.37594338e-27]
 [ 1.02506957e-09 -1.02506957e-09  1.37594338e-27]]
stress =  [ 1.97453531e-10  1.97453531e-10 -6.22285159e-11  3.86741575e-26
 -1.78756408e-34  3.35281980e-51]
energy per atom =  -4.531054108409885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0