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 15:42:36     -102.357151         1.310325
BFGS:    1 15:42:36     -102.535077         1.263766
BFGS:    2 15:42:36     -102.593222         1.140942
BFGS:    3 15:42:36     -102.667084         0.958711
BFGS:    4 15:42:36     -102.730425         0.805276
BFGS:    5 15:42:36     -102.790469         0.667532
BFGS:    6 15:42:36     -102.846138         0.539782
BFGS:    7 15:42:36     -102.894969         0.455114
BFGS:    8 15:42:36     -102.934514         0.361056
BFGS:    9 15:42:36     -102.962744         0.245074
BFGS:   10 15:42:37     -102.978052         0.109276
BFGS:   11 15:42:37     -102.980502         0.059794
BFGS:   12 15:42:37     -102.980647         0.058568
BFGS:   13 15:42:37     -102.981006         0.047959
BFGS:   14 15:42:37     -102.981250         0.047647
BFGS:   15 15:42:37     -102.981869         0.049260
BFGS:   16 15:42:37     -102.982364         0.036838
BFGS:   17 15:42:37     -102.982593         0.012159
BFGS:   18 15:42:37     -102.982623         0.004612
BFGS:   19 15:42:37     -102.982625         0.003668
BFGS:   20 15:42:37     -102.982625         0.003781
BFGS:   21 15:42:37     -102.982627         0.003748
BFGS:   22 15:42:37     -102.982629         0.003095
BFGS:   23 15:42:37     -102.982632         0.001565
BFGS:   24 15:42:37     -102.982633         0.000746
BFGS:   25 15:42:37     -102.982633         0.000167
BFGS:   26 15:42:37     -102.982633         0.000013
BFGS:   27 15:42:37     -102.982633         0.000001
BFGS:   28 15:42:37     -102.982633         0.000000
BFGS:   29 15:42:37     -102.982633         0.000000
Minimization converged after 29 steps.
Maximum force component: 5.603581727103846e-09 eV/Angstrom
Maximum stress component: 1.6950323440291324e-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 0.00000000e+00]
 [8.17377950e-01 8.33656375e-01 0.00000000e+00]
 [8.17377950e-01 1.66343625e-01 1.42373574e-36]
 [1.82622050e-01 8.33656375e-01 3.61544869e-37]
 [6.82622050e-01 6.66343625e-01 0.00000000e+00]
 [3.17377950e-01 3.33656375e-01 0.00000000e+00]
 [3.17377950e-01 6.66343625e-01 2.32747594e-36]
 [6.82622050e-01 3.33656375e-01 2.06877822e-36]
 [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, 3.338614855104329e-37, 0.0], [-6.185606688498765e-36, 8.9213430335176, 0.0], [0.0, 0.0, 2.5922240637785143]])
forces =  [[ 3.80889521e-11  1.86787308e-09 -3.19516285e-32]
 [-3.80889521e-11 -1.86787308e-09  0.00000000e+00]
 [-3.80889521e-11  1.86787308e-09  0.00000000e+00]
 [ 3.80889521e-11 -1.86787308e-09  1.59758142e-32]
 [ 3.80889521e-11  1.86787308e-09  0.00000000e+00]
 [-3.80889521e-11 -1.86787308e-09  0.00000000e+00]
 [-3.80889521e-11  1.86787308e-09 -1.99697678e-33]
 [ 3.80889521e-11 -1.86787308e-09  0.00000000e+00]
 [-5.60358173e-09 -5.56261218e-09  0.00000000e+00]
 [ 5.60358173e-09  5.56261218e-09  2.39637213e-32]
 [ 5.60358173e-09 -5.56261218e-09 -2.39637213e-32]
 [-5.60358173e-09  5.56261218e-09  0.00000000e+00]
 [-5.60358173e-09 -5.56261218e-09  0.00000000e+00]
 [ 5.60358173e-09  5.56261218e-09  3.19516285e-32]
 [ 5.60358173e-09 -5.56261218e-09 -1.59758142e-32]
 [-5.60358173e-09  5.56261218e-09  0.00000000e+00]]
stress =  [ 1.69503234e-10 -1.06938643e-10  4.67477304e-11  0.00000000e+00
  0.00000000e+00 -1.02621360e-32]
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