element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:31:28      -88.464401        0.5251
BFGS:    1 14:31:28      -88.473912        0.3347
BFGS:    2 14:31:28      -88.479589        0.2766
BFGS:    3 14:31:28      -88.481355        0.2405
BFGS:    4 14:31:28      -88.483595        0.2149
BFGS:    5 14:31:28      -88.490377        0.1562
BFGS:    6 14:31:28      -88.491494        0.0581
BFGS:    7 14:31:28      -88.491611        0.0221
BFGS:    8 14:31:28      -88.491629        0.0199
BFGS:    9 14:31:28      -88.491678        0.0217
BFGS:   10 14:31:28      -88.491728        0.0257
BFGS:   11 14:31:28      -88.491761        0.0146
BFGS:   12 14:31:28      -88.491768        0.0034
BFGS:   13 14:31:28      -88.491768        0.0002
BFGS:   14 14:31:28      -88.491768        0.0000
BFGS:   15 14:31:28      -88.491768        0.0000
BFGS:   16 14:31:28      -88.491768        0.0000
BFGS:   17 14:31:28      -88.491768        0.0000
Minimization converged after 17 steps.
Maximum force component: 6.097908016372056e-10 eV/Angstrom
Maximum stress component: 2.086089376158612e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 5.20390727e-35 1.87500000e-01]
 [1.42424586e-36 0.00000000e+00 6.87500000e-01]
 [1.53718422e-35 0.00000000e+00 8.12500000e-01]
 [0.00000000e+00 4.05656592e-35 3.12500000e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333333e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833333e-01]
 [6.66666667e-01 3.33333333e-01 1.45833333e-01]
 [6.66666667e-01 3.33333333e-01 3.54166667e-01]
 [3.33333333e-01 6.66666667e-01 8.54166667e-01]]
cellpar =  Cell([[2.518213737166892, 8.484905185794969e-19, -1.2977507636261741e-36], [-1.259106868583446, 2.180837068545477, -2.5645463144589416e-36], [-7.181662021825623e-36, -1.6586260845211782e-35, 12.336677438664388]])
forces =  [[ 4.13858410e-31 -1.43364759e-31  2.20976841e-10]
 [-6.62173456e-31  5.73459035e-31  2.20976841e-10]
 [-6.62173456e-31  5.73459035e-31 -2.20976841e-10]
 [ 7.44945138e-31 -1.43364759e-31 -2.20976841e-10]
 [ 4.13858410e-31  1.43364759e-31  2.58493908e-10]
 [ 1.15880355e-30 -8.60188552e-31  2.58493908e-10]
 [ 8.27716820e-32 -4.30094276e-31 -2.58493908e-10]
 [-1.65543364e-31  2.86729517e-31 -2.58493908e-10]
 [-4.13858410e-31  1.43364759e-31 -6.09790802e-10]
 [ 7.44945138e-31 -1.43364759e-31 -6.09790802e-10]
 [ 4.13858410e-31 -4.30094276e-31  6.09790802e-10]
 [-6.62173456e-31  5.73459035e-31  6.09790802e-10]]
stress =  [-2.08608938e-11 -2.08608938e-11 -2.22723894e-12  4.58140863e-34
 -2.64507751e-34  3.32620653e-27]
energy per atom =  -7.374314033582723
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0