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 17:32:18      -35.668252         0.358533
BFGS:    1 17:32:18      -35.678460         0.256487
BFGS:    2 17:32:18      -35.681929         0.282254
BFGS:    3 17:32:18      -35.686069         0.287187
BFGS:    4 17:32:18      -35.696384         0.255152
BFGS:    5 17:32:18      -35.707449         0.269046
BFGS:    6 17:32:18      -35.716394         0.180028
BFGS:    7 17:32:18      -35.719215         0.047465
BFGS:    8 17:32:18      -35.719452         0.017319
BFGS:    9 17:32:18      -35.719477         0.013405
BFGS:   10 17:32:18      -35.719485         0.010952
BFGS:   11 17:32:18      -35.719504         0.004484
BFGS:   12 17:32:18      -35.719511         0.001649
BFGS:   13 17:32:18      -35.719513         0.000522
BFGS:   14 17:32:18      -35.719513         0.000098
BFGS:   15 17:32:18      -35.719513         0.000004
BFGS:   16 17:32:18      -35.719513         0.000000
BFGS:   17 17:32:18      -35.719513         0.000000
Minimization converged after 17 steps.
Maximum force component: 1.020696330461622e-09 eV/Angstrom
Maximum stress component: 8.706726789689834e-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([[6.605424514516162, 1.4404848271606731e-35, -1.2506098401484404e-32], [1.6933963176746053e-35, 6.6054245145161605, -3.4283805527654063e-17], [7.435040783310694e-33, -1.9817247357722135e-17, 3.942388273050063]])
forces =  [[ 1.02069633e-09  1.02069633e-09 -5.29766927e-27]
 [-1.02069633e-09 -1.02069633e-09  5.29766927e-27]
 [-1.02069633e-09  1.02069633e-09 -5.29766927e-27]
 [ 1.02069633e-09 -1.02069633e-09  5.29766927e-27]
 [ 1.02069633e-09  1.02069633e-09 -5.29766927e-27]
 [-1.02069633e-09 -1.02069633e-09  5.29766927e-27]
 [-1.02069633e-09  1.02069633e-09 -5.29766927e-27]
 [ 1.02069633e-09 -1.02069633e-09  5.29766927e-27]]
stress =  [ 1.16984634e-11  1.16984634e-11  8.70672679e-11 -1.29879034e-27
  8.87486190e-35 -8.46118951e-63]
energy per atom =  -4.464939156785026
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0