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 17:39:43      -52.489557        1.3700
BFGS:    1 17:39:43      -52.695323        1.3144
BFGS:    2 17:39:43      -53.023925        1.1796
BFGS:    3 17:39:43      -53.182592        1.0527
BFGS:    4 17:39:43      -53.285427        0.9405
BFGS:    5 17:39:43      -53.387758        0.8395
BFGS:    6 17:39:43      -53.496708        0.7451
BFGS:    7 17:39:43      -53.609400        0.6546
BFGS:    8 17:39:43      -53.721483        0.6149
BFGS:    9 17:39:43      -53.828541        0.5695
BFGS:   10 17:39:43      -53.926696        0.5074
BFGS:   11 17:39:43      -54.012955        0.4345
BFGS:   12 17:39:43      -54.085324        0.3556
BFGS:   13 17:39:43      -54.142673        0.2741
BFGS:   14 17:39:43      -54.184418        0.1914
BFGS:   15 17:39:43      -54.210056        0.1061
BFGS:   16 17:39:43      -54.218407        0.0235
BFGS:   17 17:39:43      -54.218591        0.0119
BFGS:   18 17:39:43      -54.218695        0.0021
BFGS:   19 17:39:43      -54.218699        0.0003
BFGS:   20 17:39:43      -54.218699        0.0000
BFGS:   21 17:39:43      -54.218699        0.0000
BFGS:   22 17:39:43      -54.218699        0.0000
BFGS:   23 17:39:43      -54.218699        0.0000
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