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 15:12:43      -28.315705         2.695976
BFGS:    1 15:12:43      -28.730748         1.724838
BFGS:    2 15:12:43      -29.108309         1.758729
BFGS:    3 15:12:43      -29.374027         1.609460
BFGS:    4 15:12:43      -29.584773         1.629427
BFGS:    5 15:12:43      -29.763781         1.502988
BFGS:    6 15:12:43      -29.908860         1.134409
BFGS:    7 15:12:43      -30.012033         0.819850
BFGS:    8 15:12:43      -30.067620         0.547369
BFGS:    9 15:12:43      -30.081341         0.323801
BFGS:   10 15:12:43      -30.090609         0.233739
BFGS:   11 15:12:43      -30.093477         0.106677
BFGS:   12 15:12:43      -30.094224         0.063349
BFGS:   13 15:12:43      -30.094604         0.057092
BFGS:   14 15:12:43      -30.095129         0.087534
BFGS:   15 15:12:43      -30.095571         0.082925
BFGS:   16 15:12:43      -30.095762         0.036982
BFGS:   17 15:12:43      -30.095791         0.006780
BFGS:   18 15:12:43      -30.095793         0.000659
BFGS:   19 15:12:43      -30.095793         0.000162
BFGS:   20 15:12:43      -30.095793         0.000034
BFGS:   21 15:12:43      -30.095793         0.000003
BFGS:   22 15:12:43      -30.095793         0.000000
BFGS:   23 15:12:43      -30.095793         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.0079727608136581e-08 eV/Angstrom
Maximum stress component: 3.8108275508236606e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'N', 'N', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 7.86191277e-02]
 [1.40360883e-34 0.00000000e+00 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([[2.5079900198202707, -3.4547242392436214e-17, 3.4794979191118677e-37], [-1.2539950099101353, 2.171983069602193, 2.5582613960479494e-36], [-3.766756230457971e-36, 1.1826593808723717e-36, 10.511932298011972]])
forces =  [[-8.24356366e-32 -1.13289806e-45 -1.00797276e-08]
 [-3.61281057e-45 -1.42782711e-31  1.00797276e-08]
 [ 5.15222728e-32  1.78478389e-32 -2.24828274e-09]
 [ 3.09133637e-32 -1.78478389e-32  2.24828274e-09]
 [-4.12178183e-31  2.85565422e-31 -4.35017578e-10]
 [ 3.70960364e-31 -2.85565422e-31  4.35017578e-10]]
stress =  [-3.81082755e-10 -3.81082755e-10  3.07864818e-10  5.75851089e-33
  4.63507800e-44 -5.45069939e-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