element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6881', '0.57703982', '0.8213634']
model name:
SW_ZhangXieHu_2014OptimizedSW2_Si__MO_475612090600_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:32      -26.590684         1.371234
BFGS:    1 16:31:32      -26.666463         1.319143
BFGS:    2 16:31:32      -26.842458         1.178793
BFGS:    3 16:31:32      -26.994113         1.028268
BFGS:    4 16:31:32      -27.120886         0.864909
BFGS:    5 16:31:32      -27.221765         0.686031
BFGS:    6 16:31:32      -27.295445         0.490314
BFGS:    7 16:31:32      -27.340666         0.279473
BFGS:    8 16:31:32      -27.356895         0.172833
BFGS:    9 16:31:32      -27.357771         0.184833
BFGS:   10 16:31:32      -27.361134         0.201908
BFGS:   11 16:31:32      -27.363830         0.183463
BFGS:   12 16:31:32      -27.368558         0.127538
BFGS:   13 16:31:32      -27.370612         0.065266
BFGS:   14 16:31:32      -27.371039         0.012233
BFGS:   15 16:31:32      -27.371063         0.001002
BFGS:   16 16:31:32      -27.371064         0.000115
BFGS:   17 16:31:32      -27.371064         0.000005
BFGS:   18 16:31:32      -27.371064         0.000000
BFGS:   19 16:31:32      -27.371064         0.000000
Minimization converged after 19 steps.
Maximum force component: 9.732825314461883e-10 eV/Angstrom
Maximum stress component: 1.0567701792460271e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18680997e-01 8.18680997e-01 1.64003966e-33]
 [1.81319003e-01 1.81319003e-01 8.20019832e-34]
 [1.81319003e-01 8.18680997e-01 8.20019832e-34]
 [8.18680997e-01 1.81319003e-01 6.15014874e-34]
 [3.18680997e-01 3.18680997e-01 5.00000000e-01]
 [6.81319003e-01 6.81319003e-01 5.00000000e-01]
 [6.81319003e-01 3.18680997e-01 5.00000000e-01]
 [3.18680997e-01 6.81319003e-01 5.00000000e-01]]
cellpar =  Cell([[6.3351795559448485, -9.655011364575497e-36, -1.447244095509981e-32], [-7.407026315388759e-36, 6.3351795559448485, 2.2405883872280224e-17], [8.612894946762807e-33, 1.2730296406665762e-17, 3.7578212042871315]])
forces =  [[ 9.73282531e-10  9.73282531e-10  3.44224740e-27]
 [-9.73282531e-10 -9.73282531e-10 -3.44224740e-27]
 [-9.73282531e-10  9.73282531e-10  3.44224740e-27]
 [ 9.73282531e-10 -9.73282531e-10 -3.44224740e-27]
 [ 9.73282531e-10  9.73282531e-10  3.44224740e-27]
 [-9.73282531e-10 -9.73282531e-10 -3.44224740e-27]
 [-9.73282531e-10  9.73282531e-10  3.44224740e-27]
 [ 9.73282531e-10 -9.73282531e-10 -3.44224740e-27]]
stress =  [ 1.05677018e-10  1.05677018e-10  2.76084073e-12 -1.64003471e-26
  3.23597705e-35 -3.59265623e-51]
energy per atom =  -3.4213829383443737
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0