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:
SW_LeeHwang_2012GGA_Si__MO_040570764911_001
==== 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 15:52:28      -42.602343         0.306721
BFGS:    1 15:52:28      -42.622248         0.253498
BFGS:    2 15:52:28      -42.663272         0.119257
BFGS:    3 15:52:28      -42.664225         0.113267
BFGS:    4 15:52:28      -42.665294         0.106642
BFGS:    5 15:52:28      -42.669587         0.077021
BFGS:    6 15:52:28      -42.674463         0.066902
BFGS:    7 15:52:28      -42.678764         0.049300
BFGS:    8 15:52:28      -42.680161         0.015117
BFGS:    9 15:52:28      -42.680294         0.001702
BFGS:   10 15:52:28      -42.680298         0.000156
BFGS:   11 15:52:28      -42.680298         0.000007
BFGS:   12 15:52:28      -42.680298         0.000000
BFGS:   13 15:52:28      -42.680298         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.479520501183586e-10 eV/Angstrom
Maximum stress component: 5.0002748221667975e-11 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 =  [[0.0990474 0.0990474 0.0990474]
 [0.4009526 0.9009526 0.5990474]
 [0.9009526 0.5990474 0.4009526]
 [0.5990474 0.4009526 0.9009526]
 [0.5990474 0.5990474 0.5990474]
 [0.9009526 0.4009526 0.0990474]
 [0.4009526 0.0990474 0.9009526]
 [0.0990474 0.9009526 0.4009526]
 [0.9009526 0.9009526 0.9009526]
 [0.5990474 0.0990474 0.4009526]
 [0.0990474 0.4009526 0.5990474]
 [0.4009526 0.5990474 0.0990474]
 [0.4009526 0.4009526 0.4009526]
 [0.0990474 0.5990474 0.9009526]
 [0.5990474 0.9009526 0.0990474]
 [0.9009526 0.0990474 0.5990474]]
cellpar =  Cell([[6.700457445276907, -2.24682560999088e-37, 0.0], [5.616328718832167e-38, 6.700457445276907, 0.0], [0.0, 0.0, 6.700457445276907]])
forces =  [[ 4.4795205e-10  4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10 -4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10  4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10 -4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10  4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10 -4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10  4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10 -4.4795205e-10 -4.4795205e-10]
 [-4.4795205e-10 -4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10  4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10 -4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10  4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10 -4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10  4.4795205e-10 -4.4795205e-10]
 [ 4.4795205e-10 -4.4795205e-10  4.4795205e-10]
 [-4.4795205e-10  4.4795205e-10  4.4795205e-10]]
stress =  [-5.00027482e-11 -5.00027482e-11 -5.00027482e-11  0.00000000e+00
  0.00000000e+00 -2.38915333e-65]
energy per atom =  -2.6675186053689117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0