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_Wagner_2007_SiC__SM_264944083668_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 10:46:54      -18.505740         0.501423
BFGS:    1 10:46:54      -18.510474         0.318689
BFGS:    2 10:46:54      -18.513655         0.186197
BFGS:    3 10:46:54      -18.517776         0.177937
BFGS:    4 10:46:54      -18.519204         0.084460
BFGS:    5 10:46:55      -18.519467         0.043161
BFGS:    6 10:46:55      -18.519568         0.044934
BFGS:    7 10:46:55      -18.519777         0.044218
BFGS:    8 10:46:55      -18.519932         0.037639
BFGS:    9 10:46:55      -18.519993         0.015111
BFGS:   10 10:46:55      -18.520000         0.002302
BFGS:   11 10:46:56      -18.520000         0.000100
BFGS:   12 10:46:56      -18.520000         0.000009
BFGS:   13 10:46:56      -18.520000         0.000000
BFGS:   14 10:46:56      -18.520000         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.307626838035874e-09 eV/Angstrom
Maximum stress component: 1.8019922824369162e-10 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([[3.840296928143254, 1.8616794803384345e-18, -1.0419675728673232e-36], [-1.920148464071627, 3.3257946978473996, -4.827870234774009e-37], [-1.3764695599521172e-37, 1.2138448560971866e-35, 6.27117862473201]])
forces =  [[-4.41796266e-31  1.09316226e-31 -5.30762684e-09]
 [ 1.16497826e-46 -1.02734046e-44 -5.30762684e-09]
 [-6.31137523e-32 -1.09316226e-31  5.30762684e-09]
 [-2.52455009e-31  4.37264903e-31  5.30762684e-09]]
stress =  [ 1.74009323e-10  1.74009323e-10  1.80199228e-10  7.87978900e-34
 -2.72963898e-33 -3.85468816e-26]
energy per atom =  -4.6299999999359995
===============================================