element(s):
['C', 'N']
AFLOW prototype label:
AB2_hP6_164_c_2d
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.363', '4.5256877', '0.073825071', '0.46689141', '0.87828925']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'N', 'N']
representative atom coordinates =  [[0.         0.         0.07382507]
 [0.33333333 0.66666667 0.53310859]
 [0.33333333 0.66666667 0.12171075]]
spacegroup =  164
cell =  [[2.363, 0, 0], [-1.1815, 2.0464180291426, 0], [0, 0, 10.6942]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:16:38      -28.315705         2.695976
BFGS:    1 14:16:38      -28.730748         1.724838
BFGS:    2 14:16:38      -29.108309         1.758729
BFGS:    3 14:16:38      -29.374027         1.609460
BFGS:    4 14:16:38      -29.584773         1.629427
BFGS:    5 14:16:38      -29.763781         1.502988
BFGS:    6 14:16:38      -29.908860         1.134409
BFGS:    7 14:16:38      -30.012033         0.819850
BFGS:    8 14:16:38      -30.067620         0.547369
BFGS:    9 14:16:38      -30.081341         0.323801
BFGS:   10 14:16:38      -30.090609         0.233739
BFGS:   11 14:16:38      -30.093477         0.106677
BFGS:   12 14:16:38      -30.094224         0.063349
BFGS:   13 14:16:38      -30.094604         0.057092
BFGS:   14 14:16:38      -30.095129         0.087534
BFGS:   15 14:16:38      -30.095571         0.082925
BFGS:   16 14:16:38      -30.095762         0.036982
BFGS:   17 14:16:39      -30.095791         0.006780
BFGS:   18 14:16:39      -30.095793         0.000659
BFGS:   19 14:16:39      -30.095793         0.000162
BFGS:   20 14:16:39      -30.095793         0.000034
BFGS:   21 14:16:39      -30.095793         0.000003
BFGS:   22 14:16:39      -30.095793         0.000000
BFGS:   23 14:16:39      -30.095793         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.007960148680098e-08 eV/Angstrom
Maximum stress component: 3.8108142016488714e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 6.63635132e-35 7.86191277e-02]
 [2.34822626e-34 5.91273965e-35 9.21380872e-01]
 [3.33333333e-01 6.66666667e-01 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 1.05878160e-01]
 [6.66666667e-01 3.33333333e-01 8.94121840e-01]]
cellpar =  Cell([[2.507990019820272, -3.304724097384507e-17, 8.80138637660187e-35], [-1.253995009910136, 2.171983069602193, 1.760501585122945e-34], [4.595640800826287e-34, 1.1654101164079688e-33, 10.511932298011965]])
forces =  [[ 6.59485092e-31 -1.11748826e-42 -1.00796015e-08]
 [-1.64871273e-31  2.85565422e-31  1.00796015e-08]
 [-9.82912824e-44 -2.49257198e-43 -2.24828560e-09]
 [ 9.82912824e-44  2.49257198e-43  2.24828560e-09]
 [ 6.59485092e-31 -4.82374668e-44 -4.35020797e-10]
 [-1.64871273e-31  2.85565422e-31  4.35020797e-10]]
stress =  [-3.81081420e-10 -3.81081420e-10  3.07861320e-10 -2.87925546e-33
 -4.98701672e-33  3.40613969e-26]
energy per atom =  -5.015965538837563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0