element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:15:20      -18.592706        22.992441
BFGS:    1 16:15:20      -19.972122         4.365341
BFGS:    2 16:15:20      -20.054709         3.370698
BFGS:    3 16:15:20      -20.304889         2.934070
BFGS:    4 16:15:20      -20.572327         2.421315
BFGS:    5 16:15:20      -20.790421         1.946653
BFGS:    6 16:15:20      -20.962828         1.507097
BFGS:    7 16:15:20      -21.092923         1.100029
BFGS:    8 16:15:20      -21.183838         0.723121
BFGS:    9 16:15:20      -21.238483         0.374293
BFGS:   10 16:15:20      -21.259570         0.051664
BFGS:   11 16:15:20      -21.260001         0.002317
BFGS:   12 16:15:20      -21.260002         0.000015
BFGS:   13 16:15:20      -21.260002         0.000000
Minimization converged after 13 steps.
Maximum force component: 5.426120317478197e-31 eV/Angstrom
Maximum stress component: 3.7426845381096766e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 1.02368691e-34 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.751369870944731, -6.616356235586397e-18, 7.500447715740369e-38], [-1.3756849354723655, 2.38275620344525, 2.832320783410827e-38], [-3.548149278708021e-36, -5.97773958264514e-36, 8.333199999999998]])
forces =  [[ 1.35653008e-31 -7.83193006e-32  1.53437618e-69]
 [-1.35653008e-31  7.83193006e-32 -1.53437618e-69]
 [ 5.42612032e-31 -3.13277203e-31  6.13750473e-69]
 [-2.93914851e-31  1.95798252e-31 -3.29962265e-66]]
stress =  [-3.74268454e-10 -3.74268454e-10 -5.20884122e-82 -2.68477818e-46
 -1.59357791e-46 -1.21718248e-25]
energy per atom =  -5.3150005840887635
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0