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_Tersoff_1989_SiC__MO_171585019474_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 17:26:08      -59.162887         0.065617
BFGS:    1 17:26:08      -59.163065         0.060817
BFGS:    2 17:26:08      -59.164153         0.000402
BFGS:    3 17:26:08      -59.164153         0.000002
BFGS:    4 17:26:08      -59.164153         0.000000
Minimization converged after 4 steps.
Maximum force component: 6.789048116896055e-31 eV/Angstrom
Maximum stress component: 1.170440595187245e-11 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([[4.130947641773575, -1.4554837303743123e-38, 5.215562388289254e-33], [-7.599630193836668e-39, 4.130947641773575, -2.96640305949058e-21], [1.5620740381875656e-33, -2.966403059482623e-21, 4.130947641773575]])
forces =  [[ 7.70158215e-65  2.03671444e-31  2.03671444e-31]
 [-6.78904812e-31  2.24887219e-31  6.78904812e-32]
 [-6.78904812e-32  3.39452406e-32 -1.35780962e-31]
 [ 1.01835722e-31 -2.03671444e-31  2.03671444e-31]
 [ 2.46102994e-31  3.73397646e-31  8.48631015e-32]
 [ 8.98518543e-65  2.03671444e-31  2.37616684e-31]
 [ 3.73397646e-31  1.69726203e-32  3.39452406e-32]
 [ 6.78904812e-32  5.43123849e-31  6.78904812e-32]]
stress =  [-1.17044060e-11 -1.17044060e-11 -1.17044060e-11 -2.59891789e-27
  2.40768587e-34  9.33564827e-56]
energy per atom =  -7.395519132241441
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0