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_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_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      -35.668252        0.3585
BFGS:    1 17:19:56      -35.678460        0.2565
BFGS:    2 17:19:56      -35.681929        0.2823
BFGS:    3 17:19:56      -35.686069        0.2872
BFGS:    4 17:19:56      -35.696384        0.2552
BFGS:    5 17:19:56      -35.707449        0.2690
BFGS:    6 17:19:56      -35.716394        0.1800
BFGS:    7 17:19:56      -35.719215        0.0475
BFGS:    8 17:19:56      -35.719452        0.0173
BFGS:    9 17:19:56      -35.719477        0.0134
BFGS:   10 17:19:56      -35.719485        0.0110
BFGS:   11 17:19:56      -35.719504        0.0045
BFGS:   12 17:19:56      -35.719511        0.0016
BFGS:   13 17:19:56      -35.719513        0.0005
BFGS:   14 17:19:56      -35.719513        0.0001
BFGS:   15 17:19:56      -35.719513        0.0000
BFGS:   16 17:19:56      -35.719513        0.0000
BFGS:   17 17:19:56      -35.719513        0.0000
Minimization converged after 17 steps.
Maximum force component: 1.0206847975862728e-09 eV/Angstrom
Maximum stress component: 8.706712443620321e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.8189726 0.8189726 0.       ]
 [0.1810274 0.1810274 0.       ]
 [0.1810274 0.8189726 0.       ]
 [0.8189726 0.1810274 0.       ]
 [0.3189726 0.3189726 0.5      ]
 [0.6810274 0.6810274 0.5      ]
 [0.6810274 0.3189726 0.5      ]
 [0.3189726 0.6810274 0.5      ]]
cellpar =  Cell([[6.6054245145161605, -8.711812730984213e-37, 6.391905643413594e-33], [3.8679475422262675e-37, 6.6054245145161605, 8.789964733573056e-18], [1.393982725903093e-32, 5.18298313116784e-18, 3.942388273050062]])
forces =  [[ 1.02068480e-09  1.02068480e-09  1.35826908e-27]
 [-1.02068480e-09 -1.02068480e-09 -1.35826908e-27]
 [-1.02068480e-09  1.02068480e-09  1.35826908e-27]
 [ 1.02068480e-09 -1.02068480e-09 -1.35820834e-27]
 [ 1.02068480e-09  1.02068480e-09  1.35826908e-27]
 [-1.02068480e-09 -1.02068480e-09 -1.35826908e-27]
 [-1.02068480e-09  1.02068480e-09  1.35826908e-27]
 [ 1.02068480e-09 -1.02068480e-09 -1.35819619e-27]]
stress =  [ 1.16979581e-11  1.16979581e-11  8.70671244e-11 -7.72389315e-27
 -3.54994476e-34  2.29003652e-50]
energy per atom =  -4.464939156785025
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0