element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:32:25     -102.357151        1.3103
BFGS:    1 16:32:25     -102.535077        1.2638
BFGS:    2 16:32:25     -102.593222        1.1409
BFGS:    3 16:32:25     -102.667084        0.9587
BFGS:    4 16:32:25     -102.730425        0.8053
BFGS:    5 16:32:25     -102.790469        0.6675
BFGS:    6 16:32:25     -102.846138        0.5398
BFGS:    7 16:32:25     -102.894969        0.4551
BFGS:    8 16:32:25     -102.934514        0.3611
BFGS:    9 16:32:25     -102.962744        0.2451
BFGS:   10 16:32:25     -102.978052        0.1093
BFGS:   11 16:32:25     -102.980502        0.0598
BFGS:   12 16:32:25     -102.980647        0.0586
BFGS:   13 16:32:25     -102.981006        0.0480
BFGS:   14 16:32:25     -102.981250        0.0476
BFGS:   15 16:32:25     -102.981869        0.0493
BFGS:   16 16:32:25     -102.982364        0.0368
BFGS:   17 16:32:25     -102.982593        0.0122
BFGS:   18 16:32:25     -102.982623        0.0046
BFGS:   19 16:32:25     -102.982625        0.0037
BFGS:   20 16:32:25     -102.982625        0.0038
BFGS:   21 16:32:25     -102.982627        0.0037
BFGS:   22 16:32:25     -102.982629        0.0031
BFGS:   23 16:32:25     -102.982632        0.0016
BFGS:   24 16:32:25     -102.982633        0.0007
BFGS:   25 16:32:25     -102.982633        0.0002
BFGS:   26 16:32:25     -102.982633        0.0000
BFGS:   27 16:32:25     -102.982633        0.0000
BFGS:   28 16:32:25     -102.982633        0.0000
BFGS:   29 16:32:25     -102.982633        0.0000
Minimization converged after 29 steps.
Maximum force component: 5.603575785675941e-09 eV/Angstrom
Maximum stress component: 1.6950198080707275e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.82622050e-01 1.66343625e-01 6.12531280e-37]
 [8.17377950e-01 8.33656375e-01 9.37829500e-35]
 [8.17377950e-01 1.66343625e-01 0.00000000e+00]
 [1.82622050e-01 8.33656375e-01 0.00000000e+00]
 [6.82622050e-01 6.66343625e-01 0.00000000e+00]
 [3.17377950e-01 3.33656375e-01 9.45042393e-35]
 [3.17377950e-01 6.66343625e-01 0.00000000e+00]
 [6.82622050e-01 3.33656375e-01 0.00000000e+00]
 [1.89232837e-01 4.09299198e-01 5.00000000e-01]
 [8.10767163e-01 5.90700802e-01 5.00000000e-01]
 [8.10767163e-01 4.09299198e-01 5.00000000e-01]
 [1.89232837e-01 5.90700802e-01 5.00000000e-01]
 [6.89232837e-01 9.09299198e-01 5.00000000e-01]
 [3.10767163e-01 9.07008017e-02 5.00000000e-01]
 [3.10767163e-01 9.09299198e-01 5.00000000e-01]
 [6.89232837e-01 9.07008017e-02 5.00000000e-01]]
cellpar =  Cell([[4.308265242524933, -3.8108861454174784e-39, 0.0], [2.486892190218192e-36, 8.9213430335176, 0.0], [0.0, 0.0, 2.592224063778514]])
forces =  [[ 3.80916253e-11  1.86790573e-09  0.00000000e+00]
 [-3.80916253e-11 -1.86790573e-09  1.27806514e-31]
 [-3.80916253e-11  1.86790573e-09 -1.27806514e-31]
 [ 3.80916253e-11 -1.86790573e-09  0.00000000e+00]
 [ 3.80916253e-11  1.86790573e-09  0.00000000e+00]
 [-3.80916253e-11 -1.86790573e-09  6.39032569e-32]
 [-3.80916253e-11  1.86790573e-09 -6.39032569e-32]
 [ 3.80916253e-11 -1.86790573e-09  0.00000000e+00]
 [-5.60357579e-09 -5.56255480e-09 -3.19516285e-32]
 [ 5.60357579e-09  5.56255480e-09 -3.19516285e-32]
 [ 5.60357579e-09 -5.56255480e-09  0.00000000e+00]
 [-5.60357579e-09  5.56255480e-09 -3.19516285e-32]
 [-5.60357579e-09 -5.56255480e-09 -1.59758142e-32]
 [ 5.60357579e-09  5.56255480e-09  0.00000000e+00]
 [ 5.60357579e-09 -5.56255480e-09  0.00000000e+00]
 [-5.60357579e-09  5.56255480e-09  0.00000000e+00]]
stress =  [ 1.69501981e-10 -1.06936356e-10  4.67451774e-11  0.00000000e+00
  0.00000000e+00 -1.75072585e-46]
energy per atom =  -6.436414586715102
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0