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 16:35:17     -139.981892         2.167601
BFGS:    1 16:35:17     -140.559843         1.269361
BFGS:    2 16:35:17     -140.863081         1.214461
BFGS:    3 16:35:17     -141.067123         1.115653
BFGS:    4 16:35:17     -141.172234         1.019059
BFGS:    5 16:35:17     -141.289005         0.907540
BFGS:    6 16:35:17     -141.406216         0.794703
BFGS:    7 16:35:17     -141.519507         0.681641
BFGS:    8 16:35:17     -141.623903         0.569040
BFGS:    9 16:35:17     -141.715155         0.468539
BFGS:   10 16:35:17     -141.790116         0.369616
BFGS:   11 16:35:17     -141.846682         0.262564
BFGS:   12 16:35:17     -141.883541         0.150399
BFGS:   13 16:35:17     -141.899878         0.035314
BFGS:   14 16:35:17     -141.900691         0.007053
BFGS:   15 16:35:17     -141.900697         0.003249
BFGS:   16 16:35:17     -141.900700         0.000219
BFGS:   17 16:35:17     -141.900700         0.000060
BFGS:   18 16:35:17     -141.900700         0.000002
BFGS:   19 16:35:17     -141.900700         0.000000
BFGS:   20 16:35:17     -141.900700         0.000000
Minimization converged after 20 steps.
Maximum force component: 8.909361562704034e-10 eV/Angstrom
Maximum stress component: 4.4115333861865626e-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, 2.6138949527987914e-32, 1.1587598378484396e-32], [8.676056251561123e-33, 5.245209256217398, -4.179041263694065e-18], [-1.1473940766337672e-32, -4.1790412636940215e-18, 5.245209256217398]])
forces =  [[ 8.62029275e-32 -8.90936156e-10 -8.90936156e-10]
 [ 3.42262053e-42  8.90936156e-10 -8.90936156e-10]
 [-3.42262053e-42 -8.90936156e-10  8.90936156e-10]
 [-8.62029275e-32  8.90936156e-10  8.90936156e-10]
 [-8.90936156e-10  7.09926131e-28 -8.90936156e-10]
 [-8.90936156e-10 -7.09839928e-28  8.90936156e-10]
 [ 8.90936156e-10  7.09926131e-28 -8.90936156e-10]
 [ 8.90936156e-10 -7.09926131e-28  8.90936156e-10]
 [-8.90936156e-10 -8.90936156e-10  7.09753725e-28]
 [ 8.90936156e-10 -8.90936156e-10  7.09839928e-28]
 [-8.90936156e-10  8.90936156e-10 -7.09883029e-28]
 [ 8.90936156e-10  8.90936156e-10 -7.09926131e-28]
 [-3.81984389e-10 -3.81984389e-10 -3.81984389e-10]
 [ 3.81984389e-10  3.81984389e-10 -3.81984389e-10]
 [ 3.81984389e-10 -3.81984389e-10  3.81984389e-10]
 [-3.81984389e-10  3.81984389e-10  3.81984389e-10]
 [-3.81984389e-10 -3.81984389e-10  3.81984389e-10]
 [ 3.81984389e-10  3.81984389e-10  3.81984389e-10]
 [-3.81984389e-10  3.81984389e-10 -3.81984389e-10]
 [ 3.81984389e-10 -3.81984389e-10 -3.81984389e-10]]
stress =  [-4.41153339e-11 -4.41153339e-11 -4.41153339e-11  1.01422943e-28
  1.01284485e-59 -3.75732824e-60]
energy per atom =  -7.095034996542333
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0