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 09:48:35      -35.868025         0.519477
BFGS:    1 09:48:35      -35.882655         0.531197
BFGS:    2 09:48:35      -35.923965         0.503100
BFGS:    3 09:48:35      -35.941775         0.418163
BFGS:    4 09:48:35      -35.969054         0.354248
BFGS:    5 09:48:35      -35.983595         0.379873
BFGS:    6 09:48:35      -35.986222         0.338598
BFGS:    7 09:48:35      -35.991222         0.235762
BFGS:    8 09:48:35      -35.996700         0.172435
BFGS:    9 09:48:35      -36.003759         0.152141
BFGS:   10 09:48:35      -36.006862         0.068068
BFGS:   11 09:48:35      -36.007425         0.014767
BFGS:   12 09:48:36      -36.007460         0.002014
BFGS:   13 09:48:36      -36.007461         0.000113
BFGS:   14 09:48:36      -36.007461         0.000007
BFGS:   15 09:48:36      -36.007461         0.000000
BFGS:   16 09:48:36      -36.007461         0.000000
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