element(s):
['B', 'N']
AFLOW prototype label:
AB_tP8_131_j_l
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.1294', '0.28730256', '0.71602778', '0.71577242']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.71602778 0.         0.        ]
 [0.71577242 0.         0.5       ]]
spacegroup =  131
cell =  [[9.1294, 0, 0], [0, 9.1294, 0], [0, 0, 2.6229]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:35:14      -48.196329        5.6328
BFGS:    1 16:35:14      -48.459005        4.8748
BFGS:    2 16:35:14      -48.684728        4.1492
BFGS:    3 16:35:14      -48.875222        3.4545
BFGS:    4 16:35:14      -49.032310        2.7891
BFGS:    5 16:35:14      -49.158068        2.1509
BFGS:    6 16:35:14      -49.255187        1.5363
BFGS:    7 16:35:14      -49.327709        0.9387
BFGS:    8 16:35:14      -49.382452        0.4015
BFGS:    9 16:35:14      -49.430134        0.5342
BFGS:   10 16:35:14      -49.480552        0.9375
BFGS:   11 16:35:14      -49.535928        1.6942
BFGS:   12 16:35:14      -49.597032        2.6510
BFGS:   13 16:35:14      -49.694706        2.9150
BFGS:   14 16:35:14      -49.895835        3.0150
BFGS:   15 16:35:14      -50.041440        2.8476
BFGS:   16 16:35:14      -50.169954        2.5378
BFGS:   17 16:35:14      -50.285226        2.1525
BFGS:   18 16:35:14      -50.381466        1.7343
BFGS:   19 16:35:14      -50.457111        1.2799
BFGS:   20 16:35:14      -50.509158        0.7853
BFGS:   21 16:35:14      -50.529244        0.4962
BFGS:   22 16:35:14      -50.530624        0.4920
BFGS:   23 16:35:14      -50.540261        0.0793
BFGS:   24 16:35:14      -50.540245        0.0931
BFGS:   25 16:35:14      -50.540323        0.0003
BFGS:   26 16:35:14      -50.540323        0.0000
BFGS:   27 16:35:14      -50.540323        0.0000
BFGS:   28 16:35:14      -50.540323        0.0000
Minimization converged after 28 steps.
Maximum force component: 4.0962537536568966e-09 eV/Angstrom
Maximum stress component: 1.485770619117841e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']
basis =  [[7.33577373e-01 0.00000000e+00 0.00000000e+00]
 [2.66422627e-01 3.58529479e-35 0.00000000e+00]
 [0.00000000e+00 7.33577373e-01 5.00000000e-01]
 [3.30076819e-35 2.66422627e-01 5.00000000e-01]
 [6.98222827e-01 1.68697640e-34 5.00000000e-01]
 [3.01777173e-01 1.68697640e-34 5.00000000e-01]
 [2.36237635e-36 6.98222827e-01 0.00000000e+00]
 [0.00000000e+00 3.01777173e-01 0.00000000e+00]]
cellpar =  Cell([[9.133168400215862, 1.401208405966525e-35, 1.4701680953268514e-31], [-2.1887191837944535e-35, 9.133168400215864, -2.5296496173158207e-17], [3.744806253139284e-32, -8.11859710837438e-18, 2.676894642486347]])
forces =  [[-4.09625375e-09 -6.28036505e-45 -6.59374854e-41]
 [ 4.09625375e-09  6.28192734e-45  6.59374854e-41]
 [ 9.81490969e-45 -4.09625375e-09  1.13455388e-26]
 [-9.81959657e-45  4.09625375e-09 -1.13455388e-26]
 [ 4.09625319e-09  6.28515183e-45 -3.29952739e-32]
 [-4.09625319e-09 -6.28348947e-45 -6.59374764e-41]
 [-9.81490835e-45  4.09625319e-09 -1.13455703e-26]
 [ 9.81647064e-45 -4.09625319e-09  1.13455538e-26]]
stress =  [ 1.18469870e-11  1.18469870e-11 -1.48577062e-11  1.79875167e-27
  2.52079611e-34 -8.20271765e-51]
energy per atom =  -6.31754040549194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0