element(s):
['C', 'N']
AFLOW prototype label:
A3B4_cI28_220_a_c
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.4491', '0.21602395']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'N']
representative atom coordinates =  [[0.375      0.         0.25      ]
 [0.21602395 0.21602395 0.21602395]]
spacegroup =  220
cell =  [[5.4491, 0, 0], [0, 5.4491, 0], [0, 0, 5.4491]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:33:46     -207.766036         0.503673
BFGS:    1 10:33:46     -207.802058         0.497999
BFGS:    2 10:33:47     -207.900526         0.449174
BFGS:    3 10:33:48     -207.913493         0.430603
BFGS:    4 10:33:48     -207.967162         0.351949
BFGS:    5 10:33:49     -208.014393         0.272578
BFGS:    6 10:33:50     -208.052577         0.193289
BFGS:    7 10:33:51     -208.079364         0.114484
BFGS:    8 10:33:51     -208.093161         0.036361
BFGS:    9 10:33:52     -208.094845         0.002182
BFGS:   10 10:33:53     -208.094847         0.000781
BFGS:   11 10:33:54     -208.094848         0.000018
BFGS:   12 10:33:56     -208.094848         0.000001
BFGS:   13 10:33:57     -208.094848         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.068423515273367e-09 eV/Angstrom
Maximum stress component: 5.826207363917731e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[3.75000000e-01 4.05078529e-33 2.50000000e-01]
 [1.25000000e-01 1.53650476e-33 7.50000000e-01]
 [6.25000000e-01 5.00000000e-01 2.50000000e-01]
 [8.75000000e-01 5.00000000e-01 7.50000000e-01]
 [2.50000000e-01 3.75000000e-01 5.93649568e-34]
 [7.50000000e-01 1.25000000e-01 1.82459941e-33]
 [2.50000000e-01 6.25000000e-01 5.00000000e-01]
 [7.50000000e-01 8.75000000e-01 5.00000000e-01]
 [0.00000000e+00 2.50000000e-01 3.75000000e-01]
 [3.29216785e-33 7.50000000e-01 1.25000000e-01]
 [5.00000000e-01 2.50000000e-01 6.25000000e-01]
 [5.00000000e-01 7.50000000e-01 8.75000000e-01]
 [2.13215628e-01 2.13215628e-01 2.13215628e-01]
 [2.86784372e-01 7.86784372e-01 7.13215628e-01]
 [7.86784372e-01 7.13215628e-01 2.86784372e-01]
 [7.13215628e-01 2.86784372e-01 7.86784372e-01]
 [4.63215628e-01 4.63215628e-01 4.63215628e-01]
 [3.67843720e-02 5.36784372e-01 9.63215628e-01]
 [9.63215628e-01 3.67843720e-02 5.36784372e-01]
 [5.36784372e-01 9.63215628e-01 3.67843720e-02]
 [7.13215628e-01 7.13215628e-01 7.13215628e-01]
 [7.86784372e-01 2.86784372e-01 2.13215628e-01]
 [2.86784372e-01 2.13215628e-01 7.86784372e-01]
 [2.13215628e-01 7.86784372e-01 2.86784372e-01]
 [9.63215628e-01 9.63215628e-01 9.63215628e-01]
 [5.36784372e-01 3.67843720e-02 4.63215628e-01]
 [4.63215628e-01 5.36784372e-01 3.67843720e-02]
 [3.67843720e-02 4.63215628e-01 5.36784372e-01]]
cellpar =  Cell([[5.515174410647716, -1.9799971350056265e-33, -1.7995434116105888e-33], [-7.091814456204919e-33, 5.515174410647716, 3.408978086254807e-18], [2.1788786325989413e-33, 3.4089780862548076e-18, 5.515174410647716]])
forces =  [[ 4.95685845e-31 -1.81279395e-31  1.13299622e-32]
 [-9.06396975e-32 -5.43838185e-31 -4.53198487e-32]
 [-1.81279395e-31 -7.25117580e-31  1.04235652e-30]
 [ 1.99407334e-30 -3.08138593e-49 -4.98518336e-31]
 [-1.81279395e-31  2.94579017e-31  3.28568903e-31]
 [ 1.81279395e-31 -2.94579017e-31  6.79797731e-31]
 [-9.06396975e-32 -5.43838185e-31 -3.62558790e-31]
 [-2.71919092e-31  5.43838185e-31 -7.25117580e-31]
 [ 3.62558790e-31  2.24100795e-49  3.62558790e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.67683440e-30 -6.34477882e-31  4.75858412e-31]
 [-8.15757277e-31 -4.98518336e-31 -9.06396975e-31]
 [-3.06842352e-09 -3.06842352e-09 -3.06842352e-09]
 [ 3.06842352e-09  3.06842352e-09 -3.06842352e-09]
 [ 3.06842352e-09 -3.06842352e-09  3.06842352e-09]
 [-3.06842352e-09  3.06842352e-09  3.06842352e-09]
 [-3.06842352e-09 -3.06842352e-09 -3.06842352e-09]
 [ 3.06842352e-09  3.06842352e-09 -3.06842352e-09]
 [-3.06842352e-09  3.06842352e-09  3.06842352e-09]
 [ 3.06842352e-09 -3.06842352e-09  3.06842352e-09]
 [-3.06842352e-09 -3.06842352e-09 -3.06842352e-09]
 [ 3.06842352e-09  3.06842352e-09 -3.06842352e-09]
 [ 3.06842352e-09 -3.06842352e-09  3.06842352e-09]
 [-3.06842352e-09  3.06842352e-09  3.06842352e-09]
 [-3.06842352e-09 -3.06842352e-09 -3.06842352e-09]
 [ 3.06842352e-09  3.06842352e-09 -3.06842352e-09]
 [-3.06842352e-09  3.06842352e-09  3.06842352e-09]
 [ 3.06842352e-09 -3.06842352e-09  3.06842352e-09]]
stress =  [-5.82620736e-12 -5.82620736e-12 -5.82620736e-12  1.16950327e-28
 -1.35076781e-34  2.20874536e-51]
energy per atom =  -7.431958850015481
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0