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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 17:20:34      -35.516720        0.9152
BFGS:    1 17:20:34      -35.530706        0.8955
BFGS:    2 17:20:34      -35.573308        0.6938
BFGS:    3 17:20:35      -35.603181        0.4871
BFGS:    4 17:20:35      -35.621521        0.2899
BFGS:    5 17:20:35      -35.629781        0.1608
BFGS:    6 17:20:35      -35.631359        0.1774
BFGS:    7 17:20:35      -35.633495        0.1810
BFGS:    8 17:20:35      -35.638155        0.1587
BFGS:    9 17:20:35      -35.643275        0.1171
BFGS:   10 17:20:35      -35.646232        0.0709
BFGS:   11 17:20:35      -35.646893        0.0162
BFGS:   12 17:20:35      -35.646940        0.0008
BFGS:   13 17:20:35      -35.646941        0.0002
BFGS:   14 17:20:35      -35.646941        0.0000
BFGS:   15 17:20:35      -35.646941        0.0000
BFGS:   16 17:20:35      -35.646941        0.0000
BFGS:   17 17:20:35      -35.646941        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.5182329410909938e-09 eV/Angstrom
Maximum stress component: 2.5559931572266564e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81913106 0.81913106 0.        ]
 [0.18086894 0.18086894 0.        ]
 [0.18086894 0.81913106 0.        ]
 [0.81913106 0.18086894 0.        ]
 [0.31913106 0.31913106 0.5       ]
 [0.68086894 0.68086894 0.5       ]
 [0.68086894 0.31913106 0.5       ]
 [0.31913106 0.68086894 0.5       ]]
cellpar =  Cell([[6.656530647842146, -4.985213979352573e-36, -2.4619028678585853e-32], [-5.835072023343771e-36, 6.656530647842146, -4.362507117533708e-19], [2.2217689665772912e-32, -2.606913726760759e-19, 4.002531655837229]])
forces =  [[-3.51823294e-09 -3.51823294e-09  2.30575311e-28]
 [ 3.51823294e-09  3.51823294e-09 -2.30575311e-28]
 [ 3.51823294e-09 -3.51823294e-09  2.30575311e-28]
 [-3.51823294e-09  3.51823294e-09 -2.30575311e-28]
 [-3.51823294e-09 -3.51823294e-09  2.30575311e-28]
 [ 3.51823294e-09  3.51823294e-09 -2.30575311e-28]
 [ 3.51823294e-09 -3.51823294e-09  2.30575311e-28]
 [-3.51823294e-09  3.51823294e-09 -2.30575311e-28]]
stress =  [ 6.96457058e-11  6.96457058e-11  2.55599316e-10 -3.08991688e-26
  5.78292769e-35 -6.42033948e-51]
energy per atom =  -4.455867633070746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0