element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:50:40      -58.962818         0.413541
BFGS:    1 15:50:40      -58.973109         0.358304
BFGS:    2 15:50:40      -58.976141         0.321433
BFGS:    3 15:50:40      -58.979056         0.245473
BFGS:    4 15:50:40      -58.984012         0.132958
BFGS:    5 15:50:40      -58.985439         0.054726
BFGS:    6 15:50:40      -58.985556         0.004179
BFGS:    7 15:50:40      -58.985558         0.002300
BFGS:    8 15:50:40      -58.985558         0.002136
BFGS:    9 15:50:40      -58.985559         0.001227
BFGS:   10 15:50:40      -58.985559         0.000679
BFGS:   11 15:50:40      -58.985559         0.000215
BFGS:   12 15:50:40      -58.985559         0.000025
BFGS:   13 15:50:40      -58.985559         0.000002
BFGS:   14 15:50:40      -58.985559         0.000000
BFGS:   15 15:50:40      -58.985559         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.383149375438969e-09 eV/Angstrom
Maximum stress component: 2.5894403405824166e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.86035116e-35 9.37500000e-02]
 [1.83564469e-35 2.80771281e-36 5.93750000e-01]
 [7.18897113e-36 0.00000000e+00 9.06250000e-01]
 [0.00000000e+00 2.35260167e-35 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.5213443334057826, -2.1648959282885642e-19, 1.21102900797885e-38], [-1.2606721667028913, 2.1835482444173495, 8.074078854970803e-38], [-2.5063048335944647e-37, -1.734313406693215e-36, 8.234676110033345]])
forces =  [[ 1.65749164e-31 -2.87085974e-31  1.93415468e-09]
 [-3.31498329e-31  2.87085974e-31  1.93415468e-09]
 [-6.62996658e-31  4.07411186e-46 -1.93415468e-09]
 [ 4.14372911e-31 -4.30628961e-31 -1.93415468e-09]
 [ 3.31498329e-31  2.87085974e-31 -2.38314938e-09]
 [ 1.65749164e-31 -5.74171948e-31 -2.38314938e-09]
 [ 4.97247493e-31 -5.01960179e-46  2.38314938e-09]
 [-6.62996658e-31  5.74171948e-31  2.38314938e-09]]
stress =  [ 3.28771245e-11  3.28771245e-11 -2.58944034e-10  7.31206207e-33
  1.58310788e-33  8.53353624e-27]
energy per atom =  -7.373194853240445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0