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 01:19:43     -207.766036        0.5037
BFGS:    1 01:19:43     -207.802058        0.4980
BFGS:    2 01:19:43     -207.900526        0.4492
BFGS:    3 01:19:43     -207.913493        0.4306
BFGS:    4 01:19:43     -207.967162        0.3519
BFGS:    5 01:19:43     -208.014393        0.2726
BFGS:    6 01:19:43     -208.052577        0.1933
BFGS:    7 01:19:43     -208.079364        0.1145
BFGS:    8 01:19:43     -208.093161        0.0364
BFGS:    9 01:19:43     -208.094845        0.0022
BFGS:   10 01:19:43     -208.094847        0.0008
BFGS:   11 01:19:43     -208.094848        0.0000
BFGS:   12 01:19:43     -208.094848        0.0000
BFGS:   13 01:19:43     -208.094848        0.0000
Minimization converged after 13 steps.
Maximum force component: 3.0684232440782643e-09 eV/Angstrom
Maximum stress component: 5.825633796371491e-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 0.00000000e+00 2.50000000e-01]
 [1.25000000e-01 0.00000000e+00 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 9.77775759e-34]
 [7.50000000e-01 1.25000000e-01 1.53475874e-32]
 [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]
 [1.48938582e-32 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, 1.733953857443125e-32, 3.9623467611776256e-33], [6.420892042985609e-35, 5.515174410647716, -5.237951985915034e-18], [-1.0991078463274082e-33, -5.237951985915023e-18, 5.515174410647716]])
forces =  [[-9.06396975e-32 -1.17831607e-30 -9.06396975e-31]
 [ 1.45023516e-30 -1.08767637e-30  1.45023516e-30]
 [ 7.25117580e-31  1.45023516e-30 -1.37733852e-48]
 [ 7.08122636e-32  1.45023516e-30  4.53198487e-31]
 [ 9.03170011e-65  4.30418286e-49 -4.53198487e-31]
 [-7.25117580e-31  6.79797731e-31 -8.83737050e-31]
 [-5.43838185e-31  1.54087486e-30  7.25117580e-31]
 [ 1.67683440e-30 -1.37733852e-48  1.45023516e-30]
 [ 3.62558790e-31 -8.15757277e-31 -1.81279395e-31]
 [-7.25117580e-31 -1.35959546e-31  2.71919092e-31]
 [-9.06396975e-32  9.25399315e-49 -9.74376748e-31]
 [-9.06396975e-32  1.04235652e-30 -1.08767637e-30]
 [-3.06842324e-09 -3.06842324e-09 -3.06842324e-09]
 [ 3.06842324e-09  3.06842324e-09 -3.06842324e-09]
 [ 3.06842324e-09 -3.06842324e-09  3.06842324e-09]
 [-3.06842324e-09  3.06842324e-09  3.06842324e-09]
 [-3.06842324e-09 -3.06842324e-09 -3.06842324e-09]
 [ 3.06842324e-09  3.06842324e-09 -3.06842324e-09]
 [-3.06842324e-09  3.06842324e-09  3.06842324e-09]
 [ 3.06842324e-09 -3.06842324e-09  3.06842324e-09]
 [-3.06842324e-09 -3.06842324e-09 -3.06842324e-09]
 [ 3.06842324e-09  3.06842324e-09 -3.06842324e-09]
 [ 3.06842324e-09 -3.06842324e-09  3.06842324e-09]
 [-3.06842324e-09  3.06842324e-09  3.06842324e-09]
 [-3.06842324e-09 -3.06842324e-09 -3.06842324e-09]
 [ 3.06842324e-09  3.06842324e-09 -3.06842324e-09]
 [-3.06842324e-09  3.06842324e-09  3.06842324e-09]
 [ 3.06842324e-09 -3.06842324e-09  3.06842324e-09]]
stress =  [-5.82563380e-12 -5.82563380e-12 -5.82563380e-12  1.13504630e-28
  1.01198663e-60 -4.21153080e-62]
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