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 17:19:56      -31.913625        2.0574
BFGS:    1 17:19:56      -32.156878        0.6537
BFGS:    2 17:19:56      -32.164395        0.6020
BFGS:    3 17:19:56      -32.193159        0.3578
BFGS:    4 17:19:56      -32.206483        0.1392
BFGS:    5 17:19:56      -32.208272        0.0822
BFGS:    6 17:19:56      -32.208721        0.0936
BFGS:    7 17:19:56      -32.209772        0.1007
BFGS:    8 17:19:56      -32.210798        0.0833
BFGS:    9 17:19:56      -32.211762        0.0583
BFGS:   10 17:19:56      -32.212050        0.0207
BFGS:   11 17:19:56      -32.212082        0.0024
BFGS:   12 17:19:56      -32.212083        0.0002
BFGS:   13 17:19:56      -32.212083        0.0000
BFGS:   14 17:19:56      -32.212083        0.0000
BFGS:   15 17:19:56      -32.212083        0.0000
BFGS:   16 17:19:56      -32.212083        0.0000
BFGS:   17 17:19:56      -32.212083        0.0000
Minimization converged after 17 steps.
Maximum force component: 7.534087901348105e-10 eV/Angstrom
Maximum stress component: 3.652781671078945e-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([[6.714352217158061, -3.8164952802577697e-36, 2.5037916913622304e-32], [-5.414693886229387e-36, 6.714352217158063, -1.2363867900743827e-17], [-4.251515595458556e-35, -7.053917491837212e-18, 3.9410519397195882]])
forces =  [[ 7.53408790e-10  7.53408790e-10 -1.38727900e-27]
 [-7.53408790e-10 -7.53408790e-10  1.38733365e-27]
 [-7.53408790e-10  7.53408790e-10 -1.38738830e-27]
 [ 7.53408790e-10 -7.53408790e-10  1.38739285e-27]
 [ 7.53408790e-10  7.53408790e-10 -1.38730936e-27]
 [-7.53408790e-10 -7.53408790e-10  1.38730936e-27]
 [-7.53408790e-10  7.53408790e-10 -1.38737008e-27]
 [ 7.53408790e-10 -7.53408790e-10  1.38737008e-27]]
stress =  [ 3.65278167e-11  3.65278167e-11 -6.01697381e-12 -2.16041417e-27
  4.16416412e-46  3.31615389e-62]
energy per atom =  -4.026510410278765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0