element(s):
['C', 'N']
AFLOW prototype label:
AB2_tP6_113_a_e
Parameter names:
['a', 'c/a', 'x2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.313', '1.4331422', '0.34558', '0.8392']
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.      0.     ]
 [0.34558 0.84558 0.8392 ]]
spacegroup =  113
cell =  [[3.313, 0, 0], [0, 3.313, 0], [0, 0, 4.748]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:49:25      -32.092915        2.3904
BFGS:    1 13:49:25      -32.432257        1.9901
BFGS:    2 13:49:25      -32.819492        1.7312
BFGS:    3 13:49:25      -33.130588        1.6269
BFGS:    4 13:49:25      -33.391541        1.5650
BFGS:    5 13:49:25      -33.613064        1.5012
BFGS:    6 13:49:25      -33.799196        1.4265
BFGS:    7 13:49:25      -33.952908        1.3574
BFGS:    8 13:49:25      -33.917259        2.6131
BFGS:    9 13:49:25      -34.106042        0.9267
BFGS:   10 13:49:25      -34.173156        0.5206
BFGS:   11 13:49:25      -34.203886        0.1277
BFGS:   12 13:49:25      -34.205385        0.1538
BFGS:   13 13:49:25      -34.207980        0.2107
BFGS:   14 13:49:25      -34.210982        0.2241
BFGS:   15 13:49:25      -34.216059        0.2212
BFGS:   16 13:49:25      -34.218556        0.1116
BFGS:   17 13:49:25      -34.218988        0.0269
BFGS:   18 13:49:25      -34.219032        0.0023
BFGS:   19 13:49:25      -34.219034        0.0004
BFGS:   20 13:49:25      -34.219034        0.0000
BFGS:   21 13:49:25      -34.219034        0.0000
BFGS:   22 13:49:25      -34.219034        0.0000
Minimization converged after 22 steps.
Maximum force component: 2.001041124466419e-09 eV/Angstrom
Maximum stress component: 3.6495343309645265e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 5.07503082e-67]
 [5.00000000e-01 5.00000000e-01 4.11735416e-35]
 [4.11818093e-01 9.11818093e-01 8.80440278e-01]
 [5.88181907e-01 8.81819069e-02 8.80440278e-01]
 [9.11818093e-01 5.88181907e-01 1.19559722e-01]
 [8.81819069e-02 4.11818093e-01 1.19559722e-01]]
cellpar =  Cell([[3.3815062414805266, 1.6664982427216335e-35, -1.0773010484015509e-37], [1.2371872308959695e-36, 3.3815062414805257, -2.8542297149154786e-18], [2.4117892354460083e-36, -4.1015996933914034e-18, 4.677591170904628]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.00104112e-09  2.00104112e-09 -3.34243189e-10]
 [-2.00104112e-09 -2.00104112e-09 -3.34243189e-10]
 [ 2.00104112e-09 -2.00104112e-09  3.34243189e-10]
 [-2.00104112e-09  2.00104112e-09  3.34243189e-10]]
stress =  [-3.64953433e-10 -3.64953433e-10 -1.39794212e-11 -1.74933294e-26
  3.11708034e-33  1.45607372e-49]
energy per atom =  -5.703172347291894
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0