element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5546', '1.6540359', '0.00022218536', '0.37477781']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.33333333 0.66666667 0.50022219]
 [0.33333333 0.66666667 0.87477781]]
spacegroup =  186
cell =  [[2.5546, 0, 0], [-1.2773, 2.2123484965077, 0], [0, 0, 4.2254]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:54:56      -30.730244         1.833175
BFGS:    1 12:54:56      -30.831481         1.558791
BFGS:    2 12:54:56      -30.984929         1.061156
BFGS:    3 12:54:56      -31.078482         0.540400
BFGS:    4 12:54:56      -31.105528         0.081168
BFGS:    5 12:54:56      -31.105886         0.055787
BFGS:    6 12:54:56      -31.105976         0.055105
BFGS:    7 12:54:56      -31.106334         0.019606
BFGS:    8 12:54:56      -31.106356         0.004416
BFGS:    9 12:54:56      -31.106358         0.000249
BFGS:   10 12:54:56      -31.106358         0.000010
BFGS:   11 12:54:56      -31.106358         0.000000
BFGS:   12 12:54:56      -31.106358         0.000000
Minimization converged after 12 steps.
Maximum force component: 3.056472019924428e-10 eV/Angstrom
Maximum stress component: 6.133370528663863e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[0.33333333 0.66666667 0.5       ]
 [0.66666666 0.33333334 1.        ]
 [0.33333333 0.66666667 0.875     ]
 [0.66666666 0.33333334 0.375     ]]
cellpar =  Cell([[2.4705181605872517, -2.819491296396936e-18, 8.935323436473999e-38], [-1.2352590802936259, 2.139531487579363, -6.764822271538038e-38], [-4.483708157200827e-37, -4.1600985913668444e-36, 4.034339262302418]])
forces =  [[-8.12039664e-32 -1.40649396e-31  3.05647202e-10]
 [-1.62407933e-31 -3.14989556e-46  3.05647202e-10]
 [ 3.39691002e-47  3.15173961e-46 -3.05646286e-10]
 [ 3.39691002e-47  3.15173961e-46 -3.05646286e-10]]
stress =  [-4.56137520e-10 -4.56137520e-10 -6.13337053e-10 -7.61602022e-33
  3.29783349e-33  1.25861310e-25]
energy per atom =  -7.776589387572004
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0