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_2014OptimizedSW1_Si__MO_800412945727_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      -50.639383         1.548543
BFGS:    1 15:52:28      -50.814100         1.489106
BFGS:    2 15:52:28      -51.099699         1.361208
BFGS:    3 15:52:28      -51.294560         1.239608
BFGS:    4 15:52:28      -51.442996         1.125358
BFGS:    5 15:52:28      -51.572305         1.017769
BFGS:    6 15:52:28      -51.694983         0.915401
BFGS:    7 15:52:28      -51.815304         0.816916
BFGS:    8 15:52:28      -51.933846         0.721304
BFGS:    9 15:52:28      -52.049563         0.661974
BFGS:   10 15:52:28      -52.160652         0.641111
BFGS:   11 15:52:28      -52.264994         0.601835
BFGS:   12 15:52:28      -52.360475         0.547718
BFGS:   13 15:52:28      -52.445255         0.482557
BFGS:   14 15:52:28      -52.517960         0.410143
BFGS:   15 15:52:28      -52.577729         0.333675
BFGS:   16 15:52:28      -52.624101         0.255010
BFGS:   17 15:52:28      -52.656720         0.173740
BFGS:   18 15:52:28      -52.674751         0.084698
BFGS:   19 15:52:28      -52.677792         0.037742
BFGS:   20 15:52:28      -52.678567         0.021430
BFGS:   21 15:52:28      -52.678899         0.005584
BFGS:   22 15:52:28      -52.678932         0.001112
BFGS:   23 15:52:28      -52.678934         0.000178
BFGS:   24 15:52:28      -52.678934         0.000009
BFGS:   25 15:52:28      -52.678934         0.000000
BFGS:   26 15:52:28      -52.678934         0.000000
Minimization converged after 26 steps.
Maximum force component: 1.5624463901530069e-09 eV/Angstrom
Maximum stress component: 1.0343336578544186e-10 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 =  [[0.10186186 0.10186186 0.10186186]
 [0.39813814 0.89813814 0.60186186]
 [0.89813814 0.60186186 0.39813814]
 [0.60186186 0.39813814 0.89813814]
 [0.60186186 0.60186186 0.60186186]
 [0.89813814 0.39813814 0.10186186]
 [0.39813814 0.10186186 0.89813814]
 [0.10186186 0.89813814 0.39813814]
 [0.89813814 0.89813814 0.89813814]
 [0.60186186 0.10186186 0.39813814]
 [0.10186186 0.39813814 0.60186186]
 [0.39813814 0.60186186 0.10186186]
 [0.39813814 0.39813814 0.39813814]
 [0.10186186 0.60186186 0.89813814]
 [0.60186186 0.89813814 0.10186186]
 [0.89813814 0.10186186 0.60186186]]
cellpar =  Cell([[6.292423969548694, -1.8383707717623196e-36, 0.0], [6.558920708615252e-37, 6.292423969548694, 0.0], [0.0, 0.0, 6.292423969548694]])
forces =  [[ 1.56244639e-09  1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09 -1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09  1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09 -1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09  1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09 -1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09  1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09 -1.56244639e-09 -1.56244639e-09]
 [-1.56244639e-09 -1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09  1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09 -1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09  1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09 -1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09  1.56244639e-09 -1.56244639e-09]
 [ 1.56244639e-09 -1.56244639e-09  1.56244639e-09]
 [-1.56244639e-09  1.56244639e-09  1.56244639e-09]]
stress =  [ 1.03433366e-10  1.03433366e-10  1.03433366e-10  0.00000000e+00
  0.00000000e+00 -1.03767953e-34]
energy per atom =  -3.2924333872750364
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0