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 17:26:08      -63.732528         0.548487
BFGS:    1 17:26:08      -63.744971         0.510127
BFGS:    2 17:26:08      -63.802724         0.257686
BFGS:    3 17:26:08      -63.821596         0.008385
BFGS:    4 17:26:08      -63.821615         0.000213
BFGS:    5 17:26:08      -63.821615         0.000000
BFGS:    6 17:26:08      -63.821615         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.2038507131712688e-30 eV/Angstrom
Maximum stress component: 4.0737249612651543e-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([[4.069498877697976, 4.261713614041179e-38, -4.080159409078057e-34], [-2.4208737089228093e-37, 4.069498877697976, -1.545775996128539e-20], [1.133384867460267e-32, -1.5457759961301542e-20, 4.069498877697976]])
forces =  [[-6.68805952e-32  2.67522381e-31  3.00962678e-31]
 [ 2.67522381e-31  1.20385071e-30  3.34402976e-31]
 [-6.68805952e-32  1.33761190e-31  1.33761190e-31]
 [-1.67201488e-31  1.33761190e-31  7.35686547e-31]
 [-4.01283571e-31 -2.67522381e-31  3.59483199e-31]
 [-6.68805952e-32  2.67522381e-31  3.34402976e-31]
 [-3.34402976e-32  4.01283571e-31  3.42763050e-31]
 [ 6.68805952e-32 -2.00641786e-31 -3.34402976e-31]]
stress =  [-4.07372496e-13 -4.07372496e-13 -4.07372496e-13 -3.34828094e-33
 -6.82260193e-34 -2.27244345e-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