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 13:13:55      -32.092915         2.390431
BFGS:    1 13:13:55      -32.432257         1.990124
BFGS:    2 13:13:55      -32.819492         1.731193
BFGS:    3 13:13:55      -33.130588         1.626868
BFGS:    4 13:13:55      -33.391541         1.564962
BFGS:    5 13:13:55      -33.613064         1.501228
BFGS:    6 13:13:55      -33.799196         1.426549
BFGS:    7 13:13:55      -33.952908         1.357393
BFGS:    8 13:13:55      -33.917259         2.613107
BFGS:    9 13:13:55      -34.106042         0.926720
BFGS:   10 13:13:55      -34.173156         0.520554
BFGS:   11 13:13:56      -34.203886         0.127703
BFGS:   12 13:13:56      -34.205385         0.153840
BFGS:   13 13:13:56      -34.207980         0.210711
BFGS:   14 13:13:56      -34.210982         0.224109
BFGS:   15 13:13:56      -34.216059         0.221171
BFGS:   16 13:13:56      -34.218556         0.111614
BFGS:   17 13:13:56      -34.218988         0.026910
BFGS:   18 13:13:56      -34.219032         0.002274
BFGS:   19 13:13:56      -34.219034         0.000366
BFGS:   20 13:13:56      -34.219034         0.000034
BFGS:   21 13:13:56      -34.219034         0.000001
BFGS:   22 13:13:56      -34.219034         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.00108046105596e-09 eV/Angstrom
Maximum stress component: 3.649466787220437e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 1.01500616e-66]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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([[3.381506241480527, -4.7390443544714746e-36, -3.1774089433156256e-37], [5.319845573467384e-36, 3.381506241480528, -7.419751099234872e-18], [1.535334445145864e-36, -1.047650757111515e-17, 4.677591170904665]])
forces =  [[-1.33376904e-30  1.86922341e-66  1.25326685e-67]
 [-5.00163389e-31  7.00958779e-67  4.69975068e-68]
 [ 2.00108046e-09  2.00108046e-09 -3.34206801e-10]
 [-2.00108046e-09 -2.00108046e-09 -3.34206801e-10]
 [ 2.00108046e-09 -2.00108046e-09  3.34206801e-10]
 [-2.00108046e-09  2.00108046e-09  3.34206801e-10]]
stress =  [-3.64946679e-10 -3.64946679e-10 -1.39779433e-11  1.25809525e-26
  1.09476443e-46  6.38102153e-62]
energy per atom =  -5.703172347291887
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0