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_2014OptimizedSW1_Si__MO_800412945727_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 17:19:56      -25.607754        1.5406
BFGS:    1 17:19:56      -25.702709        1.4570
BFGS:    2 17:19:56      -25.898454        1.2800
BFGS:    3 17:19:56      -26.069103        1.1096
BFGS:    4 17:19:56      -26.215202        0.9396
BFGS:    5 17:19:56      -26.336129        0.7652
BFGS:    6 17:19:56      -26.430801        0.5838
BFGS:    7 17:19:56      -26.498011        0.3951
BFGS:    8 17:19:56      -26.536694        0.2025
BFGS:    9 17:19:56      -26.547127        0.1980
BFGS:   10 17:19:56      -26.548297        0.2065
BFGS:   11 17:19:56      -26.553358        0.2214
BFGS:   12 17:19:56      -26.556658        0.2083
BFGS:   13 17:19:56      -26.564214        0.1791
BFGS:   14 17:19:56      -26.570005        0.1288
BFGS:   15 17:19:56      -26.571881        0.0436
BFGS:   16 17:19:56      -26.572117        0.0062
BFGS:   17 17:19:56      -26.572131        0.0007
BFGS:   18 17:19:56      -26.572131        0.0001
BFGS:   19 17:19:56      -26.572131        0.0000
BFGS:   20 17:19:56      -26.572131        0.0000
BFGS:   21 17:19:56      -26.572131        0.0000
Minimization converged after 21 steps.
Maximum force component: 2.1038210859828875e-11 eV/Angstrom
Maximum stress component: 3.2978218101784017e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.19208483e-01 8.19208483e-01 8.19959344e-34]
 [1.80791517e-01 1.80791517e-01 0.00000000e+00]
 [1.80791517e-01 8.19208483e-01 0.00000000e+00]
 [8.19208483e-01 1.80791517e-01 0.00000000e+00]
 [3.19208483e-01 3.19208483e-01 5.00000000e-01]
 [6.80791517e-01 6.80791517e-01 5.00000000e-01]
 [6.80791517e-01 3.19208483e-01 5.00000000e-01]
 [3.19208483e-01 6.80791517e-01 5.00000000e-01]]
cellpar =  Cell([[6.272665482366425, -1.90229373058517e-36, 3.351665477624156e-32], [2.2214700934096828e-36, 6.272665482366425, -2.2036389122398023e-17], [9.659117015302046e-33, -1.2414007604256936e-17, 3.7580984133265165]])
forces =  [[ 2.10382109e-11  2.10382109e-11 -7.38626408e-29]
 [-2.10382109e-11 -2.10382109e-11  7.39089630e-29]
 [-2.10382109e-11  2.10382109e-11 -7.39089630e-29]
 [ 2.10382109e-11 -2.10382109e-11  7.38163187e-29]
 [ 2.10382109e-11  2.10382109e-11 -7.38626408e-29]
 [-2.10382109e-11 -2.10382109e-11  7.39089630e-29]
 [-2.10382109e-11  2.10382109e-11 -7.39089630e-29]
 [ 2.10382109e-11 -2.10382109e-11  7.38163187e-29]]
stress =  [ 1.88577389e-12  1.88577389e-12 -3.29782181e-12 -4.48710848e-28
 -7.88932782e-45 -1.57434547e-60]
energy per atom =  -3.321516432317044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0