element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
ThreeBodyBondOrder_WR_WangRockett_1991_Si__MO_081872846741_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.10135586 0.10135586 0.10135586]]
spacegroup =  206
cell =  [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:54:23      -71.175672         0.463882
BFGS:    1 15:54:23      -71.213447         0.249402
BFGS:    2 15:54:23      -71.223690         0.196576
BFGS:    3 15:54:23      -71.225733         0.180266
BFGS:    4 15:54:23      -71.237429         0.113548
BFGS:    5 15:54:23      -71.241716         0.075368
BFGS:    6 15:54:23      -71.242893         0.014537
BFGS:    7 15:54:23      -71.242941         0.001401
BFGS:    8 15:54:23      -71.242942         0.000049
BFGS:    9 15:54:23      -71.242942         0.000002
BFGS:   10 15:54:23      -71.242942         0.000000
BFGS:   11 15:54:23      -71.242942         0.000000
Minimization converged after 11 steps.
Maximum force component: 5.1560984091765685e-11 eV/Angstrom
Maximum stress component: 5.990007146343659e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.10212365 0.10212365 0.10212365]
 [0.39787635 0.89787635 0.60212365]
 [0.89787635 0.60212365 0.39787635]
 [0.60212365 0.39787635 0.89787635]
 [0.60212365 0.60212365 0.60212365]
 [0.89787635 0.39787635 0.10212365]
 [0.39787635 0.10212365 0.89787635]
 [0.10212365 0.89787635 0.39787635]
 [0.89787635 0.89787635 0.89787635]
 [0.60212365 0.10212365 0.39787635]
 [0.10212365 0.39787635 0.60212365]
 [0.39787635 0.60212365 0.10212365]
 [0.39787635 0.39787635 0.39787635]
 [0.10212365 0.60212365 0.89787635]
 [0.60212365 0.89787635 0.10212365]
 [0.89787635 0.10212365 0.60212365]]
cellpar =  Cell([[6.626247592339843, 5.672625313801392e-37, 0.0], [-1.474413357891819e-37, 6.626247592339843, 0.0], [0.0, 0.0, 6.626247592339843]])
forces =  [[ 5.15609841e-11  5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11 -5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11  5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11 -5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11  5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11 -5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11  5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11 -5.15609841e-11 -5.15609841e-11]
 [-5.15609841e-11 -5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11  5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11 -5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11  5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11 -5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11  5.15609841e-11 -5.15609841e-11]
 [ 5.15609841e-11 -5.15609841e-11  5.15609841e-11]
 [-5.15609841e-11  5.15609841e-11  5.15609841e-11]]
stress =  [5.99000715e-12 5.99000715e-12 5.99000715e-12 0.00000000e+00
 0.00000000e+00 1.12291047e-33]
energy per atom =  -4.452683860903324
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0