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_2005_SiC__MO_903987585848_005
==== 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      -58.920055        0.5206
BFGS:    1 18:21:56      -58.931185        0.4772
BFGS:    2 18:21:56      -58.981396        0.1948
BFGS:    3 18:21:56      -58.991874        0.0089
BFGS:    4 18:21:56      -58.991897        0.0002
BFGS:    5 18:21:56      -58.991897        0.0000
BFGS:    6 18:21:56      -58.991897        0.0000
Minimization converged after 6 steps.
Maximum force component: 3.7287310376824683e-31 eV/Angstrom
Maximum stress component: 3.455905955061434e-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([[4.172560011482756, -1.907932371306475e-33, 5.9179756462608154e-33], [1.5254954000125177e-38, 4.172560011482756, -4.695361611187036e-19], [1.1073860991153168e-33, -4.695361611187017e-19, 4.172560011482756]])
forces =  [[-8.64211100e-32 -6.85743639e-32 -3.42871820e-31]
 [-8.18963969e-65  3.08584638e-31 -3.08584638e-31]
 [-3.42871820e-32 -3.42871820e-31  3.42871820e-31]
 [ 1.02861546e-31 -1.02861546e-31 -1.37148728e-31]
 [ 2.74297456e-31 -6.85743639e-32 -3.72873104e-31]
 [-3.42871820e-32 -1.37148728e-31 -1.37148728e-31]
 [ 6.85743639e-32 -3.42871820e-31  2.95726944e-31]
 [ 3.42871820e-31  2.40010274e-31 -2.74297456e-31]]
stress =  [-3.45590596e-13 -3.45590596e-13 -3.45590596e-13 -1.49012722e-28
 -2.75308340e-62 -1.83751555e-63]
energy per atom =  -7.373987068939558
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0