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 12:01:57      -35.668252         0.358533
BFGS:    1 12:01:58      -35.678460         0.256487
BFGS:    2 12:01:58      -35.681929         0.282254
BFGS:    3 12:01:58      -35.686069         0.287187
BFGS:    4 12:01:58      -35.696384         0.255152
BFGS:    5 12:01:58      -35.707449         0.269046
BFGS:    6 12:01:59      -35.716394         0.180028
BFGS:    7 12:01:59      -35.719215         0.047465
BFGS:    8 12:01:59      -35.719452         0.017319
BFGS:    9 12:01:59      -35.719477         0.013405
BFGS:   10 12:01:59      -35.719485         0.010952
BFGS:   11 12:02:00      -35.719504         0.004484
BFGS:   12 12:02:00      -35.719511         0.001649
BFGS:   13 12:02:00      -35.719513         0.000522
BFGS:   14 12:02:00      -35.719513         0.000098
BFGS:   15 12:02:00      -35.719513         0.000004
BFGS:   16 12:02:00      -35.719513         0.000000
BFGS:   17 12:02:01      -35.719513         0.000000
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