element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:32:04      -36.755759         1.256441
BFGS:    1 16:32:04      -36.822364         1.217411
BFGS:    2 16:32:04      -36.996806         1.108383
BFGS:    3 16:32:04      -37.154838         0.998517
BFGS:    4 16:32:04      -37.296275         0.886922
BFGS:    5 16:32:04      -37.420763         0.772278
BFGS:    6 16:32:04      -37.527724         0.652939
BFGS:    7 16:32:04      -37.616316         0.527041
BFGS:    8 16:32:04      -37.685411         0.392633
BFGS:    9 16:32:04      -37.733584         0.247779
BFGS:   10 16:32:04      -37.759130         0.090649
BFGS:   11 16:32:04      -37.762817         0.006241
BFGS:   12 16:32:05      -37.762834         0.000146
BFGS:   13 16:32:05      -37.762834         0.000000
BFGS:   14 16:32:05      -37.762834         0.000000
Minimization converged after 14 steps.
Maximum force component: 9.014559921024362e-31 eV/Angstrom
Maximum stress component: 3.551822033695851e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 6.68531840e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 4.77522743e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.07692108e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.04520989e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.77522743e-33 7.50000000e-01]
 [5.00000000e-01 3.58142057e-33 2.50000000e-01]]
cellpar =  Cell([[6.453070472289809, 1.2329110162606367e-32, 7.279769201903682e-33], [4.765355374807392e-33, 6.453070472289809, -3.227217924413677e-17], [-1.4422336750815656e-32, -3.2272179244136845e-17, 6.453070472289809]])
forces =  [[-3.57931056e-31  3.31487767e-50 -6.62835288e-33]
 [-5.03754819e-31 -9.62464099e-64 -5.68290527e-64]
 [-3.31417644e-33 -6.33200065e-66 -3.73875347e-66]
 [-6.26533759e-64 -8.48429169e-31  4.24304342e-48]
 [ 8.39897177e-65 -6.62835288e-33 -3.97701173e-32]
 [ 1.30363952e-63  2.91709235e-48 -5.83295054e-31]
 [-1.95791800e-65 -2.65134115e-32  1.32595107e-49]
 [-2.93687700e-64 -3.97701173e-31  1.98892660e-48]
 [ 2.38620704e-31  4.55904047e-64  2.69190249e-64]
 [-1.32567058e-31  6.62975535e-50 -1.32567058e-32]
 [-2.01471562e-63 -4.50823364e-48  9.01455992e-31]
 [ 1.18512684e-64  2.65190214e-49 -5.30268231e-32]]
stress =  [-3.55182203e-13 -3.55182203e-13 -3.55182203e-13  1.14300042e-30
 -2.46664357e-35  9.84650318e-52]
energy per atom =  -3.146902847313197
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0