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_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== 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 16:35:21      -63.732528         0.548487
BFGS:    1 16:35:21      -63.744971         0.510127
BFGS:    2 16:35:21      -63.802724         0.257686
BFGS:    3 16:35:21      -63.821596         0.008385
BFGS:    4 16:35:21      -63.821615         0.000213
BFGS:    5 16:35:21      -63.821615         0.000000
BFGS:    6 16:35:21      -63.821615         0.000000
Minimization converged after 6 steps.
Maximum force component: 6.019253565856345e-31 eV/Angstrom
Maximum stress component: 4.0691060744329394e-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([[4.069498877697977, -1.2115387001525823e-32, 2.65039396637313e-33], [1.0411430837373147e-33, 4.069498877697977, 5.757343339604055e-18], [2.1498972207857624e-33, 5.757343339604059e-18, 4.069498877697977]])
forces =  [[-2.34082083e-31 -2.00641786e-31 -2.00641786e-31]
 [ 3.34402976e-32 -9.95557829e-65  2.17790852e-65]
 [-5.18324613e-31 -1.89239295e-49 -1.33761190e-31]
 [-5.01604464e-31 -1.30103658e-31  5.18324613e-31]
 [ 4.34723869e-31 -1.33761190e-31 -1.89239295e-49]
 [-5.68485059e-31  4.73098237e-50  3.34402976e-32]
 [ 6.01925357e-31 -2.63900111e-49 -1.86534160e-31]
 [-3.34402976e-32 -2.00641786e-31  4.68164166e-31]]
stress =  [-4.06910607e-13 -4.06910607e-13 -4.06910607e-13 -7.46983369e-29
 -9.92378462e-34 -1.68541746e-49]
energy per atom =  -7.977701861339543
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0