element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
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:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:49:38      -55.278309         1.942248
BFGS:    1 10:49:39      -55.273123         2.075138
BFGS:    2 10:49:39      -55.392701         0.553365
BFGS:    3 10:49:39      -55.397241         0.498332
BFGS:    4 10:49:39      -55.414989         0.179476
BFGS:    5 10:49:39      -55.417713         0.005443
BFGS:    6 10:49:39      -55.417716         0.000169
BFGS:    7 10:49:39      -55.417716         0.000103
BFGS:    8 10:49:39      -55.417716         0.000093
BFGS:    9 10:49:39      -55.417716         0.000080
BFGS:   10 10:49:39      -55.417716         0.000055
BFGS:   11 10:49:39      -55.417716         0.000012
BFGS:   12 10:49:39      -55.417716         0.000001
BFGS:   13 10:49:40      -55.417716         0.000000
BFGS:   14 10:49:40      -55.417716         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.0873284828460496e-09 eV/Angstrom
Maximum stress component: 2.1539691414183223e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.8174316 0.8174316 0.       ]
 [0.1825684 0.1825684 0.       ]
 [0.1825684 0.8174316 0.       ]
 [0.8174316 0.1825684 0.       ]
 [0.3174316 0.3174316 0.5      ]
 [0.6825684 0.6825684 0.5      ]
 [0.6825684 0.3174316 0.5      ]
 [0.3174316 0.6825684 0.5      ]]
cellpar =  Cell([[4.388740383770661, -7.389560159274129e-36, 4.847752977770215e-33], [-7.304029724838343e-36, 4.388740383770663, -1.790719529449134e-19], [2.11020105746978e-33, -9.439700137011776e-20, 2.542481404602422]])
forces =  [[ 2.08732848e-09  2.08732848e-09 -8.51683980e-29]
 [-2.08732848e-09 -2.08732848e-09  8.51527288e-29]
 [-2.08732848e-09  2.08732848e-09 -8.52154058e-29]
 [ 2.08732848e-09 -2.08732848e-09  8.51370595e-29]
 [ 2.08732848e-09  2.08732848e-09 -8.51527288e-29]
 [-2.08732848e-09 -2.08732848e-09  8.51683980e-29]
 [-2.08732848e-09  2.08732848e-09 -8.51409768e-29]
 [ 2.08732848e-09 -2.08732848e-09  8.51370595e-29]]
stress =  [ 1.37628797e-10  1.37628797e-10 -2.15396914e-10  6.91151568e-27
  1.10464513e-33  4.35417173e-62]
energy per atom =  -6.9272145011555795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0