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_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_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 20:18:48      -43.032887         0.723866
BFGS:    1 20:18:48      -43.055133         0.710456
BFGS:    2 20:18:48      -43.155572         0.602956
BFGS:    3 20:18:48      -43.234304         0.449486
BFGS:    4 20:18:48      -43.291185         0.311348
BFGS:    5 20:18:48      -43.328402         0.187072
BFGS:    6 20:18:48      -43.347932         0.075306
BFGS:    7 20:18:48      -43.352020         0.006425
BFGS:    8 20:18:48      -43.352052         0.000248
BFGS:    9 20:18:48      -43.352052         0.000001
BFGS:   10 20:18:48      -43.352052         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.2864388835458845e-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 9.15190896e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.83038179e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.62570561e-49 6.54886292e-52]
 [0.00000000e+00 5.00000000e-01 1.83038179e-34]
 [0.00000000e+00 9.15190896e-35 5.00000000e-01]]
cellpar =  Cell([[4.208804856032344, -4.600343612180639e-33, -2.739886781502531e-37], [-7.024399737128947e-33, 4.208804856032344, -5.893209287752644e-18], [-1.3057108699107128e-34, -5.893209287752643e-18, 4.208804856032344]])
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 =  [-1.28643888e-11 -1.28643888e-11 -1.28643888e-11 -1.08165000e-28
  2.89079953e-61  1.04062815e-60]
energy per atom =  -5.419006454873242
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0