element(s):
['B', 'N']
AFLOW prototype label:
AB_hR2_160_a_a
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:
['2.5114485', '4.8418561', '0.9997266', '0.33313037']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.         0.         0.9997266 ]
 [0.         0.         0.33313037]]
spacegroup =  160
cell =  [[2.5114, 0, 0], [-1.2557, 2.1749361990642, 0], [0, 0, 12.1601]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:04:45      -45.030476        0.3263
BFGS:    1 16:04:45      -45.033317        0.2801
BFGS:    2 16:04:45      -45.041093        0.0189
BFGS:    3 16:04:45      -45.041118        0.0093
BFGS:    4 16:04:45      -45.041125        0.0005
BFGS:    5 16:04:45      -45.041125        0.0001
BFGS:    6 16:04:45      -45.041125        0.0000
BFGS:    7 16:04:45      -45.041125        0.0000
BFGS:    8 16:04:45      -45.041125        0.0000
Minimization converged after 8 steps.
Maximum force component: 2.485118215661779e-10 eV/Angstrom
Maximum stress component: 4.626173391456114e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'N', 'N', 'N']
basis =  [[2.79120808e-20 5.58241617e-20 9.99761818e-01]
 [6.66666667e-01 3.33333333e-01 3.33095152e-01]
 [3.33333333e-01 6.66666667e-01 6.66428485e-01]
 [6.80823666e-17 1.36164733e-16 3.33095152e-01]
 [6.66666667e-01 3.33333333e-01 6.66428485e-01]
 [3.33333333e-01 6.66666667e-01 9.99761818e-01]]
cellpar =  Cell([[2.4978644621762567, -3.089438683128147e-18, -9.969736090960908e-23], [-1.2489322310881283, 2.1632140794549923, 4.2789469188385008e-19], [-4.836764019872222e-22, 4.4408781369645137e-16, 12.160099029813802]])
forces =  [[-9.88473066e-33  9.07567210e-27  2.48511822e-10]
 [-9.88473066e-33  9.07567210e-27  2.48511822e-10]
 [-9.88473066e-33  9.07567210e-27  2.48511822e-10]
 [-2.09056116e-31 -9.07548249e-27 -2.48511822e-10]
 [-2.09056116e-31 -9.07548249e-27 -2.48511822e-10]
 [-3.18526539e-31 -9.07548249e-27 -2.48511822e-10]]
stress =  [-4.62617339e-13 -4.62617339e-13  1.61027245e-22  1.68964895e-29
 -1.83200210e-35  1.45777073e-28]
energy per atom =  -7.506854206003446
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0