element(s):
['C', 'Si']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.058']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.058, 0, 0], [0, 4.058, 0], [0, 0, 4.058]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:15:19      -47.885204         0.377980
BFGS:    1 20:15:19      -47.891039         0.342401
BFGS:    2 20:15:20      -47.918279         0.024142
BFGS:    3 20:15:20      -47.918421         0.000809
BFGS:    4 20:15:20      -47.918421         0.000002
BFGS:    5 20:15:20      -47.918421         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.98500143817514e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 3.68052544e-37 5.00000000e-01]]
cellpar =  Cell([[4.08809229896571, 5.212577800662103e-33, 2.925852363644967e-33], [6.282410479662291e-33, 4.08809229896571, -1.4848575425028286e-20], [-3.4245742848398105e-33, -1.4848575425025707e-20, 4.08809229896571]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.98500144e-11 -1.98500144e-11 -1.98500144e-11  1.70443461e-28
  2.15111628e-34 -3.31308113e-51]
energy per atom =  -5.98980266097079
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0