element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:54:28      -43.427989        2.7213
BFGS:    1 15:54:28      -43.625579        2.3624
BFGS:    2 15:54:28      -43.839057        1.9086
BFGS:    3 15:54:28      -44.007572        1.4630
BFGS:    4 15:54:28      -44.131901        1.0248
BFGS:    5 15:54:28      -44.212755        0.5934
BFGS:    6 15:54:28      -44.250778        0.1681
BFGS:    7 15:54:28      -44.254126        0.0015
BFGS:    8 15:54:28      -44.254126        0.0000
BFGS:    9 15:54:28      -44.254126        0.0000
BFGS:   10 15:54:28      -44.254126        0.0000
BFGS:   11 15:54:28      -44.254126        0.0000
BFGS:   12 15:54:28      -44.254126        0.0001
BFGS:   13 15:54:28      -44.254126        0.0001
BFGS:   14 15:54:28      -44.254126        0.0002
BFGS:   15 15:54:28      -44.254126        0.0002
BFGS:   16 15:54:28      -44.254126        0.0002
BFGS:   17 15:54:28      -44.254126        0.0001
BFGS:   18 15:54:28      -44.254126        0.0000
BFGS:   19 15:54:28      -44.254126        0.0000
BFGS:   20 15:54:28      -44.254126        0.0000
BFGS:   21 15:54:28      -44.254126        0.0000
BFGS:   22 15:54:28      -44.254126        0.0000
Minimization converged after 22 steps.
Maximum force component: 4.7690398514953914e-12 eV/Angstrom
Maximum stress component: 2.3680022562757036e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.09710531e-32 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 1.91343052e-11]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.594606525491517, -1.7804038064162765e-18, -4.770195542102974e-23], [-1.2973032627457586, 2.24699516390053, -3.9230716261754495e-18], [-2.234855735854683e-22, 4.440885635756636e-16, 12.45119948383176]])
forces =  [[ 2.55762357e-31  1.70094139e-28  4.76903985e-12]
 [-3.41045010e-31 -1.69503284e-28 -4.76903985e-12]
 [ 3.41045010e-31  1.69503284e-28  4.76903985e-12]
 [-2.27334807e-31 -1.70094139e-28 -4.76903985e-12]
 [ 3.41045010e-31  1.69897187e-28  4.76903985e-12]
 [-3.12617459e-31 -1.69503284e-28 -4.76903985e-12]]
stress =  [-2.36800226e-11 -2.36800226e-11  9.39134288e-23  8.44579450e-28
 -4.24988456e-34  1.56326896e-26]
energy per atom =  -7.375687694255819
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0