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_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_003
==== 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 17:32:19      -34.074365         2.196720
BFGS:    1 17:32:19      -34.332052         0.718157
BFGS:    2 17:32:19      -34.342703         0.641588
BFGS:    3 17:32:19      -34.364607         0.410287
BFGS:    4 17:32:19      -34.379551         0.265576
BFGS:    5 17:32:19      -34.387809         0.141743
BFGS:    6 17:32:20      -34.389411         0.091570
BFGS:    7 17:32:20      -34.389963         0.100191
BFGS:    8 17:32:20      -34.390688         0.095379
BFGS:    9 17:32:20      -34.391813         0.085282
BFGS:   10 17:32:20      -34.392710         0.064135
BFGS:   11 17:32:20      -34.393000         0.020129
BFGS:   12 17:32:20      -34.393030         0.002072
BFGS:   13 17:32:20      -34.393031         0.000142
BFGS:   14 17:32:20      -34.393031         0.000009
BFGS:   15 17:32:20      -34.393031         0.000001
BFGS:   16 17:32:20      -34.393031         0.000000
BFGS:   17 17:32:20      -34.393031         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.4254064556717648e-09 eV/Angstrom
Maximum stress component: 7.411664931953829e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18170884e-01 8.18170884e-01 3.17644751e-34]
 [1.81829116e-01 1.81829116e-01 4.88684233e-35]
 [1.81829116e-01 8.18170884e-01 3.17644751e-34]
 [8.18170884e-01 1.81829116e-01 3.97055939e-35]
 [3.18170884e-01 3.18170884e-01 5.00000000e-01]
 [6.81829116e-01 6.81829116e-01 5.00000000e-01]
 [6.81829116e-01 3.18170884e-01 5.00000000e-01]
 [3.18170884e-01 6.81829116e-01 5.00000000e-01]]
cellpar =  Cell([[6.714352217164444, 7.830722467201503e-36, -3.930763374795961e-34], [3.461167357041096e-36, 6.714352217164441, -3.8105935094572335e-19], [-3.676730333632935e-33, -1.9777628072596038e-19, 3.9410519397185504]])
forces =  [[ 2.42540646e-09  2.42540646e-09 -1.37673280e-28]
 [-2.42540646e-09 -2.42540646e-09  1.37624703e-28]
 [-2.42540646e-09  2.42540646e-09 -1.37624703e-28]
 [ 2.42540646e-09 -2.42540646e-09  1.37667208e-28]
 [ 2.42540646e-09  2.42540646e-09 -1.37624703e-28]
 [-2.42540646e-09 -2.42540646e-09  1.37606486e-28]
 [-2.42540646e-09  2.42540646e-09 -1.37615594e-28]
 [ 2.42540646e-09 -2.42540646e-09  1.37673280e-28]]
stress =  [ 7.41166493e-11  7.41166493e-11 -2.52064466e-11  1.64572022e-26
  7.72474567e-44  1.34972369e-63]
energy per atom =  -4.299128861333973
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0