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 14:27:30      -18.592706        22.992441
BFGS:    1 14:27:30      -19.972122         4.365341
BFGS:    2 14:27:30      -20.054709         3.370698
BFGS:    3 14:27:30      -20.304889         2.934070
BFGS:    4 14:27:30      -20.572327         2.421315
BFGS:    5 14:27:30      -20.790421         1.946653
BFGS:    6 14:27:30      -20.962828         1.507097
BFGS:    7 14:27:30      -21.092923         1.100029
BFGS:    8 14:27:30      -21.183838         0.723121
BFGS:    9 14:27:30      -21.238483         0.374293
BFGS:   10 14:27:30      -21.259570         0.051664
BFGS:   11 14:27:30      -21.260001         0.002317
BFGS:   12 14:27:30      -21.260002         0.000015
BFGS:   13 14:27:30      -21.260002         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.6000159854583044e-31 eV/Angstrom
Maximum stress component: 3.74267819759664e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 2.82118644e-35 2.50000000e-01]
 [5.66745010e-35 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.7513698709447327, 1.8768627153092342e-17, -4.484432858031803e-39], [-1.3756849354723664, 2.382756203445251, -2.6652491481006762e-37], [3.825367770392515e-37, 9.114825456500188e-36, 8.333199999999998]])
forces =  [[ 1.46957425e-31 -9.78991258e-32  3.65611415e-68]
 [-2.60001599e-31  2.15378077e-31 -2.38701706e-68]
 [-2.26088347e-32  3.91596503e-32 -4.38023095e-69]
 [ 2.03479512e-31 -3.91596503e-32  4.08543147e-69]]
stress =  [-3.74267820e-10 -3.74267820e-10 -8.97118647e-82  4.09372852e-46
  1.71808196e-47 -1.25915780e-25]
energy per atom =  -5.31500058408876
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0