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 18:21:56      -58.920054        0.5206
BFGS:    1 18:21:56      -58.931185        0.4772
BFGS:    2 18:21:56      -58.981395        0.1948
BFGS:    3 18:21:56      -58.991873        0.0089
BFGS:    4 18:21:56      -58.991896        0.0002
BFGS:    5 18:21:56      -58.991896        0.0000
BFGS:    6 18:21:56      -58.991896        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.2000513698961325e-30 eV/Angstrom
Maximum stress component: 3.4697468098666577e-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([[4.172560016512571, -6.892265399756634e-33, -3.586368413242024e-33], [-3.6433392817449296e-32, 4.172560016512571, -2.0526937307463168e-19], [-4.2193190859108186e-33, -2.052693730746238e-19, 4.172560016512571]])
forces =  [[-4.80020548e-31  7.92901480e-64  4.12583767e-64]
 [ 1.20005137e-30  5.48594912e-31 -6.85743640e-32]
 [-4.45733366e-31 -8.57179550e-32 -1.71435910e-31]
 [ 6.85743640e-32 -1.37148728e-31  5.48594912e-31]
 [-6.85743640e-32 -9.27718134e-51  1.88579501e-31]
 [ 1.37148728e-31 -2.26543280e-64 -1.17881076e-64]
 [-3.85730797e-31 -3.08584638e-31 -4.80020548e-31]
 [ 3.59811311e-63 -4.20017979e-31  6.85743640e-32]]
stress =  [-3.46974681e-13 -3.46974681e-13 -3.46974681e-13 -5.31083075e-30
 -4.71980457e-34 -7.31944705e-51]
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