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_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 19:05:45      -50.692926         0.170175
BFGS:    1 19:05:45      -50.694118         0.156668
BFGS:    2 19:05:45      -50.700757         0.000406
BFGS:    3 19:05:45      -50.700757         0.000001
BFGS:    4 19:05:45      -50.700757         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.2188013455905344e-30 eV/Angstrom
Maximum stress component: 5.352623364547249e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[3.92243993e-39 1.67522224e-71 0.00000000e+00]
 [6.55356631e-41 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([[4.3623931970733585, -8.592206268332626e-38, -4.0143438426201476e-79], [3.436874967157917e-37, 4.3623931970733585, -4.6479128651909583e-38], [-2.1928782847281296e-43, 1.3816811381574196e-38, 4.3623931970733585]])
forces =  [[ 3.58470984e-32  3.47268766e-32 -4.48088730e-33]
 [ 1.79235492e-32  1.79235492e-32  1.79235492e-32]
 [ 1.79235492e-32  1.90437710e-32 -2.02901903e-70]
 [ 3.58470984e-32 -6.51053024e-70  1.73634383e-32]
 [ 1.79235492e-31 -7.88636165e-31 -4.45848286e-31]
 [-3.22623886e-31  8.26723707e-31  3.94878193e-31]
 [ 3.58470984e-32 -4.83935828e-31 -5.37706476e-31]
 [-4.30165181e-31  6.46367993e-31 -1.21880135e-30]]
stress =  [ 5.35262336e-13  5.35262336e-13  5.35262336e-13  5.22557404e-35
 -9.72271599e-72  1.47417778e-66]
energy per atom =  -6.337594632028319
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0