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_Vashishta_VashishtaKaliaNakano_2007_SiC__SM_196548226654_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 09:35:02      -50.709276        0.2037
BFGS:    1 09:35:02      -50.710989        0.1888
BFGS:    2 09:35:02      -50.721144        0.0075
BFGS:    3 09:35:02      -50.721160        0.0003
BFGS:    4 09:35:02      -50.721160        0.0000
BFGS:    5 09:35:02      -50.721160        0.0000
Minimization converged after 5 steps.
Maximum force component: 8.102561872101166e-31 eV/Angstrom
Maximum stress component: 1.5466169044138476e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.17541018e-37 0.00000000e+00 0.00000000e+00]
 [3.06525110e-37 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.358174021539533, -1.3033341456422647e-37, -3.109980465625524e-34], [2.292084226219436e-37, 4.358174021539533, -5.382175935013079e-20], [-6.825011664985755e-34, -5.3821759350129786e-20, 4.358174021539533]])
forces =  [[-7.16248563e-32 -8.95310704e-33 -5.37186422e-32]
 [ 3.58124282e-32 -4.42269602e-52  3.58124282e-32]
 [-3.58124282e-32  1.79062141e-32 -7.16248563e-32]
 [-5.37186422e-32 -6.63404403e-52  5.37186422e-32]
 [-1.16390392e-31 -1.56679373e-31  8.10256187e-31]
 [-1.25343499e-31 -1.79062141e-31  4.14081201e-32]
 [ 8.95310704e-32 -1.79062141e-32 -3.67077389e-31]
 [-1.79062141e-32  5.37186422e-32 -5.37186422e-31]]
stress =  [-1.54661690e-12 -1.54661690e-12 -1.54661690e-12  1.03036639e-27
 -2.16316710e-34  9.60731533e-50]
energy per atom =  -6.340144950028712
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0