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 15:47:10      -37.431004         0.955579
BFGS:    1 15:47:10      -37.469523         0.925488
BFGS:    2 15:47:10      -37.599890         0.811710
BFGS:    3 15:47:10      -37.712668         0.690562
BFGS:    4 15:47:10      -37.806565         0.559543
BFGS:    5 15:47:10      -37.879909         0.416093
BFGS:    6 15:47:10      -37.930647         0.257731
BFGS:    7 15:47:10      -37.956368         0.082163
BFGS:    8 15:47:10      -37.959049         0.006493
BFGS:    9 15:47:10      -37.959065         0.000147
BFGS:   10 15:47:10      -37.959065         0.000000
BFGS:   11 15:47:10      -37.959065         0.000000
Minimization converged after 11 steps.
Maximum force component: 2.580597142616678e-29 eV/Angstrom
Maximum stress component: 4.19073165853946e-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 4.70988924e-34 5.00000000e-01]
 [7.50000000e-01 7.77131725e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.17747231e-34]
 [5.00000000e-01 7.50000000e-01 9.41977848e-34]
 [1.22615315e-36 5.00000000e-01 2.50000000e-01]
 [4.28838520e-36 5.00000000e-01 7.50000000e-01]
 [2.69366873e-37 2.50000000e-01 5.00000000e-01]
 [1.06301530e-37 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 4.70988924e-34]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 4.70988924e-33 7.50000000e-01]
 [5.00000000e-01 3.76791139e-33 2.50000000e-01]]
cellpar =  Cell([[6.542591033570571, 1.47383550603602e-32, -2.340340096903614e-32], [3.7857110322850735e-32, 6.542591033570571, -1.5135428408712547e-17], [-3.887168056506611e-32, -1.513542840871264e-17, 6.542591033570571]])
forces =  [[-2.15049762e-30 -2.68812202e-32  6.21861862e-50]
 [-7.74179143e-30 -2.68812202e-32  6.21861862e-50]
 [-4.60403246e-62 -7.95684119e-30  1.84071111e-47]
 [ 4.17650138e-62  7.20416702e-30 -1.34406101e-32]
 [-2.68812202e-32 -2.21382823e-47  9.56971440e-30]
 [-2.68812202e-32  1.69146427e-47 -7.31169190e-30]
 [-1.36716930e-61 -2.36554738e-29 -2.68812202e-32]
 [ 1.41231806e-61  2.44081480e-29 -5.64650571e-47]
 [-9.67723928e-31 -2.68812202e-32  6.21861862e-50]
 [-2.15049762e-31 -2.68812202e-32  6.21861862e-50]
 [-2.68812202e-32  5.22363964e-47 -2.25802250e-29]
 [-2.68812202e-32 -5.96987388e-47  2.58059714e-29]]
stress =  [-4.19073166e-13 -4.19073166e-13 -4.19073166e-13 -1.58255565e-29
  4.79920897e-35  8.97744346e-52]
energy per atom =  -3.1632554485595605
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0