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 17:39:43      -50.639383        1.5485
BFGS:    1 17:39:43      -50.814100        1.4891
BFGS:    2 17:39:43      -51.099699        1.3612
BFGS:    3 17:39:43      -51.294560        1.2396
BFGS:    4 17:39:43      -51.442996        1.1254
BFGS:    5 17:39:43      -51.572305        1.0178
BFGS:    6 17:39:43      -51.694983        0.9154
BFGS:    7 17:39:43      -51.815304        0.8169
BFGS:    8 17:39:43      -51.933846        0.7213
BFGS:    9 17:39:43      -52.049563        0.6620
BFGS:   10 17:39:43      -52.160652        0.6411
BFGS:   11 17:39:43      -52.264994        0.6018
BFGS:   12 17:39:43      -52.360475        0.5477
BFGS:   13 17:39:43      -52.445255        0.4826
BFGS:   14 17:39:43      -52.517960        0.4101
BFGS:   15 17:39:43      -52.577729        0.3337
BFGS:   16 17:39:43      -52.624101        0.2550
BFGS:   17 17:39:43      -52.656720        0.1737
BFGS:   18 17:39:43      -52.674751        0.0847
BFGS:   19 17:39:43      -52.677792        0.0377
BFGS:   20 17:39:43      -52.678567        0.0214
BFGS:   21 17:39:43      -52.678899        0.0056
BFGS:   22 17:39:43      -52.678932        0.0011
BFGS:   23 17:39:43      -52.678934        0.0002
BFGS:   24 17:39:43      -52.678934        0.0000
BFGS:   25 17:39:43      -52.678934        0.0000
BFGS:   26 17:39:43      -52.678934        0.0000
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