element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 00:15:19      -18.504750         0.558796
BFGS:    1 00:15:20      -18.510316         0.272798
BFGS:    2 00:15:20      -18.512813         0.216965
BFGS:    3 00:15:20      -18.519315         0.044066
BFGS:    4 00:15:21      -18.519413         0.043392
BFGS:    5 00:15:21      -18.519774         0.054068
BFGS:    6 00:15:21      -18.519944         0.036599
BFGS:    7 00:15:21      -18.519996         0.010669
BFGS:    8 00:15:22      -18.520000         0.001414
BFGS:    9 00:15:22      -18.520000         0.000044
BFGS:   10 00:15:22      -18.520000         0.000004
BFGS:   11 00:15:23      -18.520000         0.000000
BFGS:   12 00:15:23      -18.520000         0.000000
Minimization converged after 12 steps.
Maximum force component: 8.947416418880752e-10 eV/Angstrom
Maximum stress component: 2.62079194219606e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.840296916848023, 7.759974010197995e-18, 1.1710201584109199e-36], [-1.9201484584240116, 3.325794688065443, 2.7651237967627563e-37], [-2.287173826628198e-37, 2.9722059056100936e-36, 6.271178604824899]])
forces =  [[-8.04700340e-31  3.00619620e-31 -8.94741642e-10]
 [ 6.31137521e-31 -2.18632451e-31 -8.94741642e-10]
 [ 1.05715535e-30 -7.37884521e-31  8.94741642e-10]
 [-6.31137521e-31  2.18632451e-31  8.94741642e-10]]
stress =  [-4.20184276e-12 -4.20184276e-12 -2.62079194e-11 -4.33388398e-33
 -6.82409749e-34 -5.19068754e-28]
energy per atom =  -4.6300000006674225
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0