element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_MEAM_Wagner_2007_SiC__SM_264944083668_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:56      -48.736878        1.3974
BFGS:    1 17:33:57      -48.818259        1.3206
BFGS:    2 17:33:57      -49.002206        1.1333
BFGS:    3 17:33:57      -49.158589        0.9530
BFGS:    4 17:33:57      -49.288448        0.7796
BFGS:    5 17:33:57      -49.392797        0.6128
BFGS:    6 17:33:57      -49.472618        0.4525
BFGS:    7 17:33:57      -49.528862        0.2984
BFGS:    8 17:33:57      -49.562453        0.1504
BFGS:    9 17:33:57      -49.574289        0.0083
BFGS:   10 17:33:57      -49.574326        0.0002
BFGS:   11 17:33:57      -49.574326        0.0000
BFGS:   12 17:33:57      -49.574326        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.221595034194485e-29 eV/Angstrom
Maximum stress component: 2.1195274431376205e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.07581519e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 2.65343070e-33]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [4.81903705e-36 5.00000000e-01 7.50000000e-01]
 [8.55172140e-37 2.50000000e-01 5.00000000e-01]
 [0.00000000e+00 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 8.84476898e-34]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.30686139e-33 7.50000000e-01]
 [5.00000000e-01 4.42238449e-33 2.50000000e-01]]
cellpar =  Cell([[6.967933060356352, 4.003589524402686e-32, 1.9771027149374915e-32], [2.5756955869276986e-34, 6.967933060356352, -6.916308739514392e-17], [-1.1495664085034715e-32, -6.9163087395144e-17, 6.967933060356352]])
forces =  [[ 2.51933457e-30  5.72576040e-32 -5.72576040e-32]
 [ 3.89351707e-30 -5.72576040e-32  2.86288020e-32]
 [-1.14515208e-31  1.19095816e-29 -1.18213454e-46]
 [ 1.14515208e-31 -1.79216300e-29 -8.58864060e-32]
 [ 2.86288020e-32 -5.72576040e-32 -1.62611595e-29]
 [-1.14515208e-31  5.72576040e-32  1.19095816e-29]
 [ 1.14515208e-31  2.19869199e-29 -8.58864060e-32]
 [-1.14515208e-31 -2.11709991e-29  2.10141465e-46]
 [-1.86087213e-30 -5.72576040e-32  2.86288020e-32]
 [ 2.29030416e-30  5.72576040e-32 -5.72576040e-32]
 [ 2.86288020e-32 -5.72576040e-32  2.22159503e-29]
 [-1.14515208e-31  5.72576040e-32 -1.73204252e-29]]
stress =  [-2.11952744e-13 -2.11952744e-13 -2.11952744e-13 -4.09492876e-30
 -8.46235549e-34  1.39064703e-50]
energy per atom =  -4.131193828680997
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0