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 16:47:50      -43.427989         2.721256
BFGS:    1 16:47:50      -43.625579         2.362361
BFGS:    2 16:47:50      -43.839057         1.908597
BFGS:    3 16:47:50      -44.007572         1.462973
BFGS:    4 16:47:50      -44.131901         1.024785
BFGS:    5 16:47:50      -44.212755         0.593360
BFGS:    6 16:47:50      -44.250778         0.168052
BFGS:    7 16:47:51      -44.254126         0.001549
BFGS:    8 16:47:51      -44.254126         0.000013
BFGS:    9 16:47:51      -44.254126         0.000013
BFGS:   10 16:47:51      -44.254126         0.000014
BFGS:   11 16:47:51      -44.254126         0.000033
BFGS:   12 16:47:51      -44.254126         0.000064
BFGS:   13 16:47:51      -44.254126         0.000109
BFGS:   14 16:47:51      -44.254126         0.000169
BFGS:   15 16:47:51      -44.254126         0.000217
BFGS:   16 16:47:51      -44.254126         0.000199
BFGS:   17 16:47:51      -44.254126         0.000098
BFGS:   18 16:47:51      -44.254126         0.000017
BFGS:   19 16:47:51      -44.254126         0.000000
BFGS:   20 16:47:51      -44.254126         0.000000
BFGS:   21 16:47:51      -44.254126         0.000000
BFGS:   22 16:47:51      -44.254126         0.000000
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