element(s):
['B', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.625']
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.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[3.625, 0, 0], [0, 3.625, 0], [0, 0, 3.625]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:02:46      -61.506290         1.539625
BFGS:    1 19:02:46      -61.604622         1.440395
BFGS:    2 19:02:46      -61.803178         1.204638
BFGS:    3 19:02:46      -61.965280         0.954222
BFGS:    4 19:02:46      -62.088679         0.688488
BFGS:    5 19:02:46      -62.171027         0.406752
BFGS:    6 19:02:46      -62.209869         0.108301
BFGS:    7 19:02:46      -62.212711         0.004277
BFGS:    8 19:02:46      -62.212715         0.000042
BFGS:    9 19:02:46      -62.212715         0.000000
BFGS:   10 19:02:46      -62.212715         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.0384055721397996e-30 eV/Angstrom
Maximum stress component: 1.0111429487610031e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']
basis =  [[5.13791997e-34 5.13581319e-34 5.13581319e-34]
 [5.14171061e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.81977325e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.61482994e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[3.4938402889441136, 5.721693557896315e-33, -4.069392254421045e-33], [-1.231274533457414e-33, 3.4938402889441136, 1.0922798838570499e-17], [-1.1388929996720282e-33, 1.0922798838570505e-17, 3.4938402889441136]])
forces =  [[ 5.74198753e-32  2.87099376e-32  5.74198753e-32]
 [ 2.87099376e-32  5.74198753e-32  2.87099376e-32]
 [ 2.87099376e-32  5.74198753e-32  5.74198753e-32]
 [ 5.74198753e-32  2.87099376e-32  2.87099376e-32]
 [-2.29679501e-31 -1.43549688e-30  2.29679501e-31]
 [-4.37826549e-31  1.67773698e-30  4.66536487e-31]
 [-4.45004033e-31 -2.03840557e-30 -8.61298129e-32]
 [-3.44519252e-31  2.00969563e-30 -6.89038503e-31]]
stress =  [-1.01114295e-14 -1.01114295e-14 -1.01114295e-14  4.88934440e-31
 -6.73167443e-34  1.64118717e-50]
energy per atom =  -7.77658938757199
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0