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_LenoskySadighAlonso_2000_Si__SM_622320990752_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 17:20:35      -35.868025        0.5195
BFGS:    1 17:20:35      -35.882655        0.5312
BFGS:    2 17:20:35      -35.923965        0.5031
BFGS:    3 17:20:35      -35.941775        0.4182
BFGS:    4 17:20:35      -35.969054        0.3542
BFGS:    5 17:20:35      -35.983595        0.3799
BFGS:    6 17:20:35      -35.986222        0.3386
BFGS:    7 17:20:35      -35.991222        0.2358
BFGS:    8 17:20:35      -35.996700        0.1724
BFGS:    9 17:20:35      -36.003759        0.1521
BFGS:   10 17:20:35      -36.006862        0.0681
BFGS:   11 17:20:35      -36.007425        0.0148
BFGS:   12 17:20:35      -36.007460        0.0020
BFGS:   13 17:20:35      -36.007461        0.0001
BFGS:   14 17:20:35      -36.007461        0.0000
BFGS:   15 17:20:35      -36.007461        0.0000
BFGS:   16 17:20:35      -36.007461        0.0000
Minimization converged after 16 steps.
Maximum force component: 5.412911405111207e-10 eV/Angstrom
Maximum stress component: 1.0583561098667496e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.81801587 0.81801587 0.        ]
 [0.18198413 0.18198413 0.        ]
 [0.18198413 0.81801587 0.        ]
 [0.81801587 0.18198413 0.        ]
 [0.31801587 0.31801587 0.5       ]
 [0.68198413 0.68198413 0.5       ]
 [0.68198413 0.31801587 0.5       ]
 [0.31801587 0.68198413 0.5       ]]
cellpar =  Cell([[6.507741439894009, 1.0308848069632501e-35, -1.1319664790725068e-32], [5.990829751413731e-36, 6.50774143989401, -7.6388932943423145e-19], [-9.57247489021862e-33, -4.661850179908499e-19, 3.9252890097195143]])
forces =  [[ 5.41291141e-10  5.41291141e-10 -6.35376390e-29]
 [-5.41291141e-10 -5.41291141e-10  6.35376390e-29]
 [-5.41291141e-10  5.41291141e-10 -6.35376390e-29]
 [ 5.41291141e-10 -5.41291141e-10  6.35376390e-29]
 [ 5.41291141e-10  5.41291141e-10 -6.35376390e-29]
 [-5.41291141e-10 -5.41291141e-10  6.35376390e-29]
 [-5.41291141e-10  5.41291141e-10 -6.35376390e-29]
 [ 5.41291141e-10 -5.41291141e-10  6.35376390e-29]]
stress =  [ 1.05835611e-10  1.05835611e-10 -1.31426385e-11  1.40893436e-26
 -1.20630892e-34  2.14708360e-50]
energy per atom =  -4.500932615940266
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0