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_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== 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      -52.489557         1.370004
BFGS:    1 15:52:28      -52.695323         1.314426
BFGS:    2 15:52:28      -53.023925         1.179584
BFGS:    3 15:52:28      -53.182592         1.052720
BFGS:    4 15:52:28      -53.285427         0.940484
BFGS:    5 15:52:28      -53.387758         0.839548
BFGS:    6 15:52:28      -53.496708         0.745101
BFGS:    7 15:52:28      -53.609400         0.654568
BFGS:    8 15:52:28      -53.721483         0.614885
BFGS:    9 15:52:28      -53.828541         0.569506
BFGS:   10 15:52:29      -53.926696         0.507429
BFGS:   11 15:52:29      -54.012955         0.434506
BFGS:   12 15:52:29      -54.085324         0.355599
BFGS:   13 15:52:29      -54.142673         0.274109
BFGS:   14 15:52:29      -54.184418         0.191390
BFGS:   15 15:52:29      -54.210056         0.106073
BFGS:   16 15:52:29      -54.218407         0.023496
BFGS:   17 15:52:29      -54.218591         0.011885
BFGS:   18 15:52:29      -54.218695         0.002135
BFGS:   19 15:52:29      -54.218699         0.000266
BFGS:   20 15:52:29      -54.218699         0.000031
BFGS:   21 15:52:29      -54.218699         0.000001
BFGS:   22 15:52:29      -54.218699         0.000000
BFGS:   23 15:52:29      -54.218699         0.000000
Minimization converged after 23 steps.
Maximum force component: 6.094711161576585e-11 eV/Angstrom
Maximum stress component: 7.30391670812094e-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 =  [[0.09962339 0.09962339 0.09962339]
 [0.40037661 0.90037661 0.59962339]
 [0.90037661 0.59962339 0.40037661]
 [0.59962339 0.40037661 0.90037661]
 [0.59962339 0.59962339 0.59962339]
 [0.90037661 0.40037661 0.09962339]
 [0.40037661 0.09962339 0.90037661]
 [0.09962339 0.90037661 0.40037661]
 [0.90037661 0.90037661 0.90037661]
 [0.59962339 0.09962339 0.40037661]
 [0.09962339 0.40037661 0.59962339]
 [0.40037661 0.59962339 0.09962339]
 [0.40037661 0.40037661 0.40037661]
 [0.09962339 0.59962339 0.90037661]
 [0.59962339 0.90037661 0.09962339]
 [0.90037661 0.09962339 0.59962339]]
cellpar =  Cell([[6.341253302672563, 3.7496652413113012e-37, 0.0], [-5.766570228516811e-37, 6.341253302672563, 0.0], [0.0, 0.0, 6.341253302672563]])
forces =  [[ 6.09471116e-11  6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11 -6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11  6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11 -6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11  6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11 -6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11  6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11 -6.09471116e-11 -6.09471116e-11]
 [-6.09471116e-11 -6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11  6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11 -6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11  6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11 -6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11  6.09471116e-11 -6.09471116e-11]
 [ 6.09471116e-11 -6.09471116e-11  6.09471116e-11]
 [-6.09471116e-11  6.09471116e-11  6.09471116e-11]]
stress =  [ 7.30391671e-12  7.30391671e-12  7.30391671e-12  0.00000000e+00
  0.00000000e+00 -1.01364006e-64]
energy per atom =  -3.3886686767088103
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0