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_2014OptimizedSW2_Si__MO_475612090600_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 15:32:36      -37.431004         0.955579
BFGS:    1 15:32:36      -37.469523         0.925488
BFGS:    2 15:32:36      -37.599890         0.811710
BFGS:    3 15:32:36      -37.712668         0.690562
BFGS:    4 15:32:36      -37.806565         0.559543
BFGS:    5 15:32:36      -37.879909         0.416093
BFGS:    6 15:32:36      -37.930647         0.257731
BFGS:    7 15:32:36      -37.956368         0.082163
BFGS:    8 15:32:36      -37.959049         0.006493
BFGS:    9 15:32:36      -37.959065         0.000147
BFGS:   10 15:32:36      -37.959065         0.000000
BFGS:   11 15:32:36      -37.959065         0.000000
Minimization converged after 11 steps.
Maximum force component: 8.87080267774483e-30 eV/Angstrom
Maximum stress component: 4.1912496537208097e-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 1.17747231e-34 5.00000000e-01]
 [7.50000000e-01 7.41807555e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.68155603e-36 2.50000000e-01 5.00000000e-01]
 [5.01544256e-37 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 3.76791139e-33 7.50000000e-01]
 [5.00000000e-01 3.76791139e-33 2.50000000e-01]]
cellpar =  Cell([[6.542591033570571, -1.970436384017227e-32, -4.859193087180216e-35], [-1.9298927115973416e-32, 6.542591033570571, 8.92079561858129e-18], [5.210478257697499e-35, 8.920795618581195e-18, 6.542591033570571]])
forces =  [[ 1.18277369e-30 -1.34406101e-32 -6.72030506e-33]
 [ 1.07524881e-31  1.34406101e-32 -1.34406101e-32]
 [-3.36015253e-32 -6.02139333e-30 -1.34406101e-32]
 [ 1.34406101e-32  5.56441259e-30  1.17605339e-32]
 [-1.34406101e-32  7.66035825e-48  5.61817503e-30]
 [ 1.68007626e-32 -1.34406101e-32 -3.27950887e-30]
 [ 1.00804576e-32 -8.33317827e-30 -6.72030506e-33]
 [-1.84808389e-32  5.72569991e-30  1.34406101e-32]
 [ 1.26341735e-30  9.16310795e-51  6.72030506e-33]
 [ 8.06436607e-31  1.34406101e-32 -1.68007626e-32]
 [ 1.34406101e-32 -1.34406101e-32 -8.87080268e-30]
 [ 2.09384635e-65  1.34406101e-32  7.60738533e-30]]
stress =  [-4.19124965e-13 -4.19124965e-13 -4.19124965e-13  2.22990733e-33
  4.79920897e-35  6.47092885e-53]
energy per atom =  -3.1632554485595588
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0