element(s):
['C', 'N']
AFLOW prototype label:
A3B4_cP7_215_c_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.4558', '0.25428553']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'N']
representative atom coordinates =  [[0.         0.5        0.5       ]
 [0.25428553 0.25428553 0.25428553]]
spacegroup =  215
cell =  [[3.4558, 0, 0], [0, 3.4558, 0], [0, 0, 3.4558]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 08:59:33      -48.275982         2.607903
BFGS:    1 08:59:33      -48.628552         1.838603
BFGS:    2 08:59:33      -48.958548         1.077510
BFGS:    3 08:59:33      -49.150213         1.174966
BFGS:    4 08:59:33      -49.250284         1.076448
BFGS:    5 08:59:33      -49.348624         0.857747
BFGS:    6 08:59:33      -49.437111         0.691065
BFGS:    7 08:59:33      -49.504899         0.436698
BFGS:    8 08:59:33      -49.530520         0.081200
BFGS:    9 08:59:33      -49.531051         0.017072
BFGS:   10 08:59:33      -49.531099         0.001798
BFGS:   11 08:59:33      -49.531100         0.000217
BFGS:   12 08:59:33      -49.531100         0.000014
BFGS:   13 08:59:33      -49.531100         0.000000
BFGS:   14 08:59:33      -49.531100         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.8431408945381495e-10 eV/Angstrom
Maximum stress component: 2.445990174908124e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'N', 'N', 'N', 'N']
basis =  [[3.85340552e-36 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.13710868e-34]
 [2.83690575e-01 2.83690575e-01 2.83690575e-01]
 [7.16309425e-01 7.16309425e-01 2.83690575e-01]
 [7.16309425e-01 2.83690575e-01 7.16309425e-01]
 [2.83690575e-01 7.16309425e-01 7.16309425e-01]]
cellpar =  Cell([[3.6047393612490977, -1.563878795978719e-32, 4.147698443018929e-33], [3.2011171364827417e-32, 3.6047393612490977, -8.316587505339967e-18], [-6.3509476827334194e-34, -8.316587505339964e-18, 3.6047393612490977]])
forces =  [[-4.73939659e-31 -8.88636861e-32  2.05019711e-49]
 [-4.19307064e-63 -4.73939659e-31 -8.88636861e-32]
 [ 8.35002390e-65  1.09343846e-48 -4.73939659e-31]
 [ 1.84314089e-10  1.84314089e-10  1.84314089e-10]
 [-1.84314089e-10 -1.84314089e-10  1.84314089e-10]
 [-1.84314089e-10  1.84314089e-10 -1.84314089e-10]
 [ 1.84314089e-10 -1.84314089e-10 -1.84314089e-10]]
stress =  [-2.44599017e-10 -2.44599017e-10 -2.44599017e-10  3.82554279e-26
 -1.51772366e-32  1.89926187e-48]
energy per atom =  -7.075871405581522
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0