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 12:17:51      -61.506290         1.539625
BFGS:    1 12:17:51      -61.604622         1.440395
BFGS:    2 12:17:51      -61.803178         1.204638
BFGS:    3 12:17:51      -61.965280         0.954222
BFGS:    4 12:17:51      -62.088679         0.688488
BFGS:    5 12:17:51      -62.171027         0.406752
BFGS:    6 12:17:51      -62.209869         0.108301
BFGS:    7 12:17:51      -62.212711         0.004277
BFGS:    8 12:17:51      -62.212715         0.000042
BFGS:    9 12:17:51      -62.212715         0.000000
BFGS:   10 12:17:51      -62.212715         0.000000
Minimization converged after 10 steps.
Maximum force component: 9.88698477331892e-31 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 =  [[9.62285660e-37 1.72749879e-61 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.40988662e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.10247166e-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, -2.335757759304697e-33, 4.0968077605534686e-33], [-1.7196632000306945e-33, 3.4938402889441136, 6.5409769901398486e-18], [4.347404293311215e-34, 6.540976990139865e-18, 3.4938402889441136]])
forces =  [[ 2.87099376e-32  5.74198753e-32  2.87099376e-32]
 [ 5.74198753e-32  2.87099376e-32  5.74198753e-32]
 [ 5.74198753e-32  2.87099376e-32  2.87099376e-32]
 [ 2.87099376e-32  5.74198753e-32  5.74198753e-32]
 [-4.01939127e-31 -4.30649065e-31  2.00969563e-31]
 [-3.80406674e-31  9.88698477e-31  3.26575541e-31]
 [-3.58874220e-31 -4.30649065e-31 -2.58389439e-31]
 [-4.30649065e-31  8.82830582e-31 -6.02908690e-31]]
stress =  [-1.01114295e-14 -1.01114295e-14 -1.01114295e-14  6.64252025e-31
 -1.34633489e-33 -5.63593078e-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