element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_187_ad_be
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5122', '3.2395112']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'B', 'N', 'N']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.         0.         0.5       ]
 [0.66666667 0.33333333 0.        ]]
spacegroup =  187
cell =  [[2.5122, 0, 0], [-1.2561, 2.1756290193873, 0], [0, 0, 8.1383]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:47:50      -30.019475         0.345194
BFGS:    1 12:47:50      -30.022519         0.272014
BFGS:    2 12:47:50      -30.027414         0.006759
BFGS:    3 12:47:50      -30.027417         0.000128
BFGS:    4 12:47:50      -30.027417         0.000000
BFGS:    5 12:47:50      -30.027417         0.000000
Minimization converged after 5 steps.
Maximum force component: 3.6946267889098226e-31 eV/Angstrom
Maximum stress component: 4.536372916932402e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.33333333e-01 6.66666667e-01 5.00000000e-01]
 [3.13465758e-38 0.00000000e+00 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 0.00000000e+00]]
cellpar =  Cell([[2.497864462176444, 6.558058540032407e-18, -6.02878782710287e-51], [-1.248932231088222, 2.163214079455154, -2.153038657287109e-40], [-7.010815053792682e-51, 7.386014213873918e-36, 8.138299999999996]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.69462679e-31 -7.11031257e-32  7.07686677e-72]]
stress =  [-4.53637292e-14 -4.53637292e-14  4.47537617e-52 -4.66762551e-34
 -8.08456453e-34  1.71568675e-30]
energy per atom =  -7.506854206003437
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0