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:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_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 16:25:19      -36.963541         6.030447
BFGS:    1 16:25:19      -37.677408         1.064748
BFGS:    2 16:25:19      -37.704538         0.257928
BFGS:    3 16:25:19      -37.706670         0.209240
BFGS:    4 16:25:19      -37.712933         0.200484
BFGS:    5 16:25:19      -37.714751         0.119354
BFGS:    6 16:25:19      -37.715129         0.034623
BFGS:    7 16:25:19      -37.715162         0.026398
BFGS:    8 16:25:19      -37.715194         0.019504
BFGS:    9 16:25:19      -37.715254         0.033286
BFGS:   10 16:25:19      -37.715312         0.029974
BFGS:   11 16:25:19      -37.715338         0.012446
BFGS:   12 16:25:19      -37.715342         0.001855
BFGS:   13 16:25:19      -37.715342         0.000101
BFGS:   14 16:25:19      -37.715342         0.000010
BFGS:   15 16:25:19      -37.715342         0.000000
BFGS:   16 16:25:19      -37.715342         0.000000
Minimization converged after 16 steps.
Maximum force component: 4.419094770669039e-09 eV/Angstrom
Maximum stress component: 3.464139498495274e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Si', 'Si']
basis =  [[0.00000000e+00 5.00000000e-01 6.07991911e-01]
 [5.00000000e-01 3.00859032e-35 1.07991911e-01]
 [4.61058272e-35 5.00000000e-01 3.92008089e-01]
 [5.00000000e-01 2.40687226e-34 8.92008089e-01]
 [5.78343221e-36 3.61030839e-34 2.50000000e-01]
 [1.59791467e-36 7.22061678e-34 7.50000000e-01]]
cellpar =  Cell([[3.200718172794711, 1.875401236543937e-36, 9.226054764338664e-32], [-8.000449209138557e-37, 3.2007181727947125, 3.367716921208347e-18], [-3.987423394552849e-32, 7.321596505582336e-18, 6.940629750638125]])
forces =  [[ 2.53879007e-41 -4.66181388e-27 -4.41909477e-09]
 [ 2.53879007e-41 -4.66165607e-27 -4.41909477e-09]
 [-2.53879007e-41  4.66181388e-27  4.41909477e-09]
 [-2.53879007e-41  4.66165669e-27  4.41909477e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.82975759e-64 -1.80491289e-49 -1.71099733e-31]]
stress =  [ 1.81430614e-11  1.81430614e-11  3.46413950e-10 -6.17907378e-26
 -1.48626330e-35  2.74422082e-51]
energy per atom =  -6.2858903473600956
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0