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 14:21:31      -47.885204        0.3780
BFGS:    1 14:21:31      -47.891039        0.3424
BFGS:    2 14:21:31      -47.918279        0.0241
BFGS:    3 14:21:31      -47.918421        0.0008
BFGS:    4 14:21:31      -47.918421        0.0000
BFGS:    5 14:21:31      -47.918421        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9847104077692668e-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]
 [8.36854596e-50 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.0880922989657105, -5.026139515404299e-33, -7.031316284711601e-33], [-4.52164452999951e-33, 4.0880922989657105, 8.254160713598469e-22], [1.3585016671003125e-33, 8.254160713508e-22, 4.0880922989657105]])
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 =  [-1.98471041e-11 -1.98471041e-11 -1.98471041e-11  2.92387994e-27
 -1.90528313e-33  2.56395116e-49]
energy per atom =  -5.989802660970799
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0