element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:34:46      -58.920054         0.520585
BFGS:    1 16:34:46      -58.931185         0.477241
BFGS:    2 16:34:46      -58.981395         0.194822
BFGS:    3 16:34:46      -58.991873         0.008888
BFGS:    4 16:34:46      -58.991896         0.000177
BFGS:    5 16:34:46      -58.991896         0.000000
BFGS:    6 16:34:46      -58.991896         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.0457590509094872e-30 eV/Angstrom
Maximum stress component: 3.459892339338529e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.172560016512572, 2.4622139229061207e-33, -2.931107875697195e-33], [-9.539738188867137e-34, 4.172560016512572, -2.054756547890335e-19], [-8.290206213717134e-33, -2.0547565478902517e-19, 4.172560016512572]])
forces =  [[-2.40010274e-31 -1.41629272e-64  1.68600572e-64]
 [-5.82882094e-31  2.05723092e-31  6.85743640e-32]
 [ 5.48594912e-31 -5.65738503e-31  1.20005137e-31]
 [-2.05723092e-31  6.85743640e-32  1.71435910e-31]
 [-1.04575905e-30 -9.60041096e-31  2.74297456e-31]
 [-4.80020548e-31 -8.57179550e-32 -6.85743640e-32]
 [ 7.02887231e-31 -2.46974858e-31  3.94302593e-31]
 [-5.48594912e-31  3.25728229e-31 -8.91466732e-31]]
stress =  [-3.45989234e-13 -3.45989234e-13 -3.45989234e-13  8.53307942e-30
 -5.48966241e-61  5.40487584e-63]
energy per atom =  -7.373986988501171
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0