element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3792']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.3792, 0, 0], [0, 4.3792, 0], [0, 0, 4.3792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:05:06      -51.285217         0.196891
BFGS:    1 20:05:06      -51.286813         0.181387
BFGS:    2 20:05:06      -51.295633         0.003920
BFGS:    3 20:05:06      -51.295637         0.000076
BFGS:    4 20:05:06      -51.295637         0.000000
BFGS:    5 20:05:06      -51.295637         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.583884188038035e-31 eV/Angstrom
Maximum stress component: 2.1564251823649245e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[4.360020890371919, -9.42489192661616e-34, 1.577037096730831e-34], [4.711652944812591e-34, 4.360020890371919, 6.960582282253916e-20], [-1.4426628399641214e-34, 6.960582282253913e-20, 4.360020890371919]])
forces =  [[ 8.95690111e-33  8.95690111e-33  1.34353517e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.79138022e-32 -8.95690111e-33 -1.42993001e-52]
 [-8.95690111e-33  8.95690111e-33  8.95690111e-33]
 [ 1.43310418e-31 -9.58388419e-31 -1.70181121e-31]
 [ 3.40362242e-31  9.42713842e-31  5.51689128e-31]
 [ 4.12017451e-31 -9.49431518e-31 -2.82142385e-31]
 [ 1.79138022e-31  8.24034902e-31 -2.77663934e-31]]
stress =  [-2.15642518e-14 -2.15642518e-14 -2.15642518e-14 -1.39440428e-31
  0.00000000e+00  9.07716929e-64]
energy per atom =  -6.411954566869777
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0