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_HauchHollandMarder_1999Brittle_Si__MO_119167353542_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 16:31:32      -31.913625         2.057421
BFGS:    1 16:31:32      -32.156878         0.653748
BFGS:    2 16:31:32      -32.164395         0.601998
BFGS:    3 16:31:32      -32.193159         0.357839
BFGS:    4 16:31:32      -32.206483         0.139240
BFGS:    5 16:31:32      -32.208272         0.082199
BFGS:    6 16:31:32      -32.208721         0.093617
BFGS:    7 16:31:32      -32.209772         0.100712
BFGS:    8 16:31:32      -32.210798         0.083324
BFGS:    9 16:31:32      -32.211762         0.058314
BFGS:   10 16:31:32      -32.212050         0.020735
BFGS:   11 16:31:32      -32.212082         0.002423
BFGS:   12 16:31:32      -32.212083         0.000188
BFGS:   13 16:31:32      -32.212083         0.000011
BFGS:   14 16:31:32      -32.212083         0.000002
BFGS:   15 16:31:32      -32.212083         0.000000
BFGS:   16 16:31:32      -32.212083         0.000000
BFGS:   17 16:31:32      -32.212083         0.000000
Minimization converged after 17 steps.
Maximum force component: 7.534234806947773e-10 eV/Angstrom
Maximum stress component: 3.652800260968196e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81817088 0.81817088 0.        ]
 [0.18182912 0.18182912 0.        ]
 [0.18182912 0.81817088 0.        ]
 [0.81817088 0.18182912 0.        ]
 [0.31817088 0.31817088 0.5       ]
 [0.68182912 0.68182912 0.5       ]
 [0.68182912 0.31817088 0.5       ]
 [0.31817088 0.68182912 0.5       ]]
cellpar =  Cell([[6.714352217158064, -1.9528063119630018e-37, 1.2521188582086813e-32], [1.8012317552270903e-36, 6.714352217158061, -5.527471138808146e-19], [-2.2984236829102376e-34, -2.898599698311632e-19, 3.9410519397195864]])
forces =  [[ 7.53423481e-10  7.53423481e-10 -6.19695997e-29]
 [-7.53423481e-10 -7.53423481e-10  6.20242491e-29]
 [-7.53423481e-10  7.53423481e-10 -6.20242491e-29]
 [ 7.53423481e-10 -7.53423481e-10  6.19149504e-29]
 [ 7.53423481e-10  7.53423481e-10 -6.19756719e-29]
 [-7.53423481e-10 -7.53423481e-10  6.20121048e-29]
 [-7.53423481e-10  7.53423481e-10 -6.20242491e-29]
 [ 7.53423481e-10 -7.53423481e-10  6.19513833e-29]]
stress =  [ 3.65280026e-11  3.65280026e-11 -6.01769588e-12 -6.21590665e-27
  1.16451260e-34  9.83715486e-51]
energy per atom =  -4.026510410278766
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0