element(s):
['Si']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4673']
model name:
SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[5.4673, 0, 0], [0, 5.4673, 0], [0, 0, 5.4673]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:29:16      -26.329139        1.6488
BFGS:    1 17:29:16      -26.442913        1.5710
BFGS:    2 17:29:16      -26.665887        1.4008
BFGS:    3 17:29:16      -26.862817        1.2237
BFGS:    4 17:29:16      -27.032649        1.0395
BFGS:    5 17:29:16      -27.174293        0.8479
BFGS:    6 17:29:16      -27.286622        0.6486
BFGS:    7 17:29:16      -27.368468        0.4414
BFGS:    8 17:29:16      -27.418618        0.2259
BFGS:    9 17:29:16      -27.435812        0.0019
BFGS:   10 17:29:16      -27.435814        0.0000
BFGS:   11 17:29:16      -27.435814        0.0000
Minimization converged after 11 steps.
Maximum force component: 2.672390215506831e-31 eV/Angstrom
Maximum stress component: 3.3206775646192944e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.76053093e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[5.17755347789378, -1.556053217250763e-33, -1.2794196353875593e-34], [1.043166859000091e-34, 5.17755347789378, -7.827709142328638e-18], [1.0786206034301683e-34, -7.82770914232864e-18, 5.17755347789378]])
forces =  [[-1.54227495e-31  1.22318358e-31  3.58977790e-32]
 [ 1.86136632e-31 -4.02016518e-50  2.65909474e-32]
 [-1.38605313e-31 -9.20711554e-32  1.09022884e-31]
 [ 2.67239022e-31 -1.11681979e-31  4.78637054e-32]
 [-1.06363790e-31 -2.02091200e-31  2.92500422e-32]
 [ 1.02375148e-31  1.59545685e-31  1.06363790e-32]
 [-1.17000169e-31  1.94113916e-31  4.12159685e-32]
 [ 1.38272927e-31 -2.30011695e-31 -1.06363790e-32]]
stress =  [3.32067756e-10 3.32067756e-10 3.32067756e-10 1.69476743e-28
 1.25803716e-60 1.48481316e-60]
energy per atom =  -3.429476688011081
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0