element(s):
['C', 'N']
AFLOW prototype label:
A3B2_cP20_221_j_g
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0912', '0.25716395', '0.15598414']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'N']
representative atom coordinates =  [[0.5        0.15598414 0.15598414]
 [0.25716395 0.25716395 0.25716395]]
spacegroup =  221
cell =  [[5.0912, 0, 0], [0, 5.0912, 0], [0, 0, 5.0912]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:24:25     -139.981892         2.167601
BFGS:    1 16:24:25     -140.559843         1.269361
BFGS:    2 16:24:25     -140.863081         1.214461
BFGS:    3 16:24:25     -141.067123         1.115653
BFGS:    4 16:24:26     -141.172234         1.019059
BFGS:    5 16:24:26     -141.289005         0.907540
BFGS:    6 16:24:26     -141.406216         0.794703
BFGS:    7 16:24:26     -141.519507         0.681641
BFGS:    8 16:24:26     -141.623903         0.569040
BFGS:    9 16:24:26     -141.715155         0.468539
BFGS:   10 16:24:26     -141.790116         0.369616
BFGS:   11 16:24:26     -141.846682         0.262564
BFGS:   12 16:24:27     -141.883541         0.150399
BFGS:   13 16:24:27     -141.899878         0.035314
BFGS:   14 16:24:27     -141.900691         0.007053
BFGS:   15 16:24:27     -141.900697         0.003249
BFGS:   16 16:24:27     -141.900700         0.000219
BFGS:   17 16:24:27     -141.900700         0.000060
BFGS:   18 16:24:27     -141.900700         0.000002
BFGS:   19 16:24:28     -141.900700         0.000000
BFGS:   20 16:24:28     -141.900700         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.90933748072994e-10 eV/Angstrom
Maximum stress component: 4.4116698169001205e-11 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']
basis =  [[0.5        0.15523685 0.15523685]
 [0.5        0.84476315 0.15523685]
 [0.5        0.15523685 0.84476315]
 [0.5        0.84476315 0.84476315]
 [0.15523685 0.5        0.15523685]
 [0.15523685 0.5        0.84476315]
 [0.84476315 0.5        0.15523685]
 [0.84476315 0.5        0.84476315]
 [0.15523685 0.15523685 0.5       ]
 [0.84476315 0.15523685 0.5       ]
 [0.15523685 0.84476315 0.5       ]
 [0.84476315 0.84476315 0.5       ]
 [0.26648337 0.26648337 0.26648337]
 [0.73351663 0.73351663 0.26648337]
 [0.73351663 0.26648337 0.73351663]
 [0.26648337 0.73351663 0.73351663]
 [0.26648337 0.26648337 0.73351663]
 [0.73351663 0.73351663 0.73351663]
 [0.26648337 0.73351663 0.26648337]
 [0.73351663 0.26648337 0.26648337]]
cellpar =  Cell([[5.245209256217398, 2.532453553652913e-32, -1.6748334890250576e-33], [1.9550901194754533e-32, 5.245209256217398, 5.47173539069843e-18], [6.43214932399875e-33, 5.471735390698438e-18, 5.245209256217398]])
forces =  [[-1.50855123e-31 -8.90933748e-10 -8.90933748e-10]
 [-2.58608783e-31  8.90933748e-10 -8.90933748e-10]
 [ 8.62029275e-32 -8.90933748e-10  8.90933748e-10]
 [ 8.62029275e-32  8.90933748e-10  8.90933748e-10]
 [-8.90933748e-10 -9.29458537e-28 -8.90933748e-10]
 [-8.90933748e-10  9.29259867e-28  8.90933748e-10]
 [ 8.90933748e-10 -9.29346069e-28 -8.90933748e-10]
 [ 8.90933748e-10  9.29540026e-28  8.90933748e-10]
 [-8.90933748e-10 -8.90933748e-10 -9.29647780e-28]
 [ 8.90933748e-10 -8.90933748e-10 -9.29496925e-28]
 [-8.90933748e-10  8.90933748e-10  9.29324519e-28]
 [ 8.90933748e-10  8.90933748e-10  9.29324519e-28]
 [-3.81985806e-10 -3.81985806e-10 -3.81985806e-10]
 [ 3.81985806e-10  3.81985806e-10 -3.81985806e-10]
 [ 3.81985806e-10 -3.81985806e-10  3.81985806e-10]
 [-3.81985806e-10  3.81985806e-10  3.81985806e-10]
 [-3.81985806e-10 -3.81985806e-10  3.81985806e-10]
 [ 3.81985806e-10  3.81985806e-10  3.81985806e-10]
 [-3.81985806e-10  3.81985806e-10 -3.81985806e-10]
 [ 3.81985806e-10 -3.81985806e-10 -3.81985806e-10]]
stress =  [-4.41166982e-11 -4.41166982e-11 -4.41166982e-11 -2.31334865e-27
 -2.28004927e-59 -2.31015897e-59]
energy per atom =  -7.095034996542329
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0