element(s):
['B', 'C', 'N']
AFLOW prototype label:
A2BC_tP4_115_g_a_c
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5275', '1.5676756', '0.26956069']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'C', 'N']
representative atom coordinates =  [[0.         0.5        0.26956069]
 [0.         0.         0.        ]
 [0.5        0.5        0.5       ]]
spacegroup =  115
cell =  [[2.5275, 0, 0], [0, 2.5275, 0], [0, 0, 3.9623]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:01:09      -25.809426         1.402845
BFGS:    1 16:01:09      -25.856580         1.246293
BFGS:    2 16:01:09      -25.923102         0.867052
BFGS:    3 16:01:09      -25.954182         0.579445
BFGS:    4 16:01:09      -25.970980         0.476412
BFGS:    5 16:01:09      -25.982105         0.323056
BFGS:    6 16:01:09      -25.987349         0.299163
BFGS:    7 16:01:09      -25.993794         0.313605
BFGS:    8 16:01:09      -26.003165         0.435572
BFGS:    9 16:01:09      -26.011863         0.356503
BFGS:   10 16:01:09      -26.015682         0.150746
BFGS:   11 16:01:09      -26.016380         0.020939
BFGS:   12 16:01:09      -26.016409         0.001374
BFGS:   13 16:01:09      -26.016410         0.000221
BFGS:   14 16:01:09      -26.016410         0.000011
BFGS:   15 16:01:09      -26.016410         0.000000
BFGS:   16 16:01:09      -26.016410         0.000000
BFGS:   17 16:01:09      -26.016410         0.000000
Minimization converged after 17 steps.
Maximum force component: 3.068964804509023e-09 eV/Angstrom
Maximum stress component: 1.2028347660898238e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'C', 'N']
basis =  [[3.92848969e-52 5.00000000e-01 2.73700665e-01]
 [5.00000000e-01 0.00000000e+00 7.26299335e-01]
 [0.00000000e+00 1.12865825e-36 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[2.551328487114796, -1.5788229281159462e-37, 3.285101187813457e-36], [4.081167775993556e-36, 2.5513284871147954, 2.741994438179193e-19], [-2.3610288334308097e-36, 4.732326626785458e-19, 3.661706500566429]])
forces =  [[ 1.25790206e-31  3.96627743e-28  3.06896480e-09]
 [ 1.97883538e-45 -3.96627743e-28 -3.06896480e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.12270973e-31 -1.31358342e-68  2.73320989e-67]]
stress =  [ 6.79672407e-10  6.79672407e-10  1.20283477e-09  1.52263093e-26
 -1.15931773e-45  7.43228936e-62]
energy per atom =  -6.504102454197623
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0