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 18:21:56      -59.162887        0.0656
BFGS:    1 18:21:56      -59.163065        0.0608
BFGS:    2 18:21:56      -59.164153        0.0004
BFGS:    3 18:21:56      -59.164153        0.0000
BFGS:    4 18:21:56      -59.164153        0.0000
Minimization converged after 4 steps.
Maximum force component: 8.146857740275265e-31 eV/Angstrom
Maximum stress component: 1.1704652505580915e-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, -6.091968760303422e-33, -8.003214550608148e-35], [2.1136031816444175e-33, 4.130947641773575, -1.1313099148955604e-21], [-3.7200599197160045e-35, -1.1313099148953116e-21, 4.130947641773575]])
forces =  [[-2.71561925e-31  4.07342887e-31  3.30966096e-31]
 [ 6.44959571e-31  7.80740533e-31 -2.58832459e-31]
 [ 2.03671444e-31 -2.71561925e-31  2.37616684e-31]
 [ 1.35780962e-31 -2.12157754e-32  8.14685774e-31]
 [-1.35780962e-31 -3.71852568e-53  1.35780962e-31]
 [ 1.69726203e-31  3.39452406e-31  2.71561925e-31]
 [-5.00692299e-31  1.35780962e-31 -2.03671444e-31]
 [ 1.35780962e-31 -2.54589304e-31  6.78904812e-32]]
stress =  [-1.17046525e-11 -1.17046525e-11 -1.17046525e-11  4.91420073e-29
  5.07908425e-64 -6.40772144e-61]
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