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:
Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
==== 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 15:32:39      -18.504750        0.5588
BFGS:    1 15:32:39      -18.510316        0.2728
BFGS:    2 15:32:39      -18.512813        0.2170
BFGS:    3 15:32:39      -18.519315        0.0441
BFGS:    4 15:32:39      -18.519413        0.0434
BFGS:    5 15:32:39      -18.519774        0.0541
BFGS:    6 15:32:39      -18.519944        0.0366
BFGS:    7 15:32:39      -18.519996        0.0107
BFGS:    8 15:32:39      -18.520000        0.0014
BFGS:    9 15:32:39      -18.520000        0.0000
BFGS:   10 15:32:39      -18.520000        0.0000
BFGS:   11 15:32:39      -18.520000        0.0000
BFGS:   12 15:32:40      -18.520000        0.0000
Minimization converged after 12 steps.
Maximum force component: 8.947498297828815e-10 eV/Angstrom
Maximum stress component: 2.6208695977409047e-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([[3.840296916848022, -2.336433435502099e-18, -1.9906169306013385e-37], [-1.920148458424011, 3.3257946880654425, 1.173410885189399e-36], [-5.4130022092025365e-36, -6.168067040500622e-36, 6.271178604824898]])
forces =  [[-7.10029711e-31 -8.19871690e-32 -8.94749830e-10]
 [-7.57365026e-31  4.37264901e-31 -8.94749830e-10]
 [-4.26017827e-31  8.19871690e-32  8.94749830e-10]
 [ 2.52455009e-31  4.37264901e-31  8.94749830e-10]]
stress =  [-4.20226955e-12 -4.20226955e-12 -2.62086960e-11 -1.26076625e-32
 -5.45927799e-33  1.04698316e-27]
energy per atom =  -4.630000000667422
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0