element(s):
['C', 'Si']
AFLOW prototype label:
A2B_tP6_131_i_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.1802', '2.1648324', '0.59917023']
model name:
EDIP_LAMMPS_JiangMorganSzlufarska_2012_SiC__MO_667792548433_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.         0.5        0.59917023]
 [0.         0.         0.25      ]]
spacegroup =  131
cell =  [[3.1802, 0, 0], [0, 3.1802, 0], [0, 0, 6.8846]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:25:37      -36.963541         6.030447
BFGS:    1 16:25:38      -37.677408         1.064748
BFGS:    2 16:25:38      -37.704538         0.257928
BFGS:    3 16:25:38      -37.706670         0.209240
BFGS:    4 16:25:38      -37.712933         0.200484
BFGS:    5 16:25:38      -37.714751         0.119354
BFGS:    6 16:25:38      -37.715129         0.034623
BFGS:    7 16:25:38      -37.715162         0.026398
BFGS:    8 16:25:38      -37.715194         0.019504
BFGS:    9 16:25:38      -37.715254         0.033286
BFGS:   10 16:25:38      -37.715312         0.029974
BFGS:   11 16:25:38      -37.715338         0.012446
BFGS:   12 16:25:38      -37.715342         0.001855
BFGS:   13 16:25:38      -37.715342         0.000101
BFGS:   14 16:25:38      -37.715342         0.000010
BFGS:   15 16:25:38      -37.715342         0.000000
BFGS:   16 16:25:38      -37.715342         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.419216615477588e-09 eV/Angstrom
Maximum stress component: 3.464166227947628e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[9.58914395e-36 5.00000000e-01 6.07991911e-01]
 [5.00000000e-01 0.00000000e+00 1.07991911e-01]
 [1.32536988e-35 5.00000000e-01 3.92008089e-01]
 [5.00000000e-01 2.40687226e-34 8.92008089e-01]
 [0.00000000e+00 2.40687226e-34 2.50000000e-01]
 [0.00000000e+00 6.01718065e-34 7.50000000e-01]]
cellpar =  Cell([[3.2007181727947125, -1.0191004560700439e-36, 2.83932442138372e-32], [8.52833908641e-37, 3.2007181727947134, 6.055335816261685e-19], [-2.1989619543501399e-32, 1.3175229135976692e-18, 6.940629750638126]])
forces =  [[ 1.40011635e-41 -8.38928625e-28 -4.41921662e-09]
 [ 7.89037949e-32 -8.38889789e-28 -4.41921662e-09]
 [-1.40011635e-41  8.39046981e-28  4.41921662e-09]
 [ 9.86297435e-32  8.38890406e-28  4.41921662e-09]
 [-3.15359686e-68 -1.18355692e-31 -2.23913329e-50]
 [-5.42106998e-64 -7.89037948e-32  1.71099733e-31]]
stress =  [ 1.81432074e-11  1.81432074e-11  3.46416623e-10 -2.29472351e-25
 -1.10969632e-33  7.40531981e-49]
energy per atom =  -6.285890347360097
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0