element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_194_c_b
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:
['2.5117', '3.1870048']
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 0.25      ]
 [0.         0.         0.25      ]]
spacegroup =  194
cell =  [[2.5117, 0, 0], [-1.25585, 2.1751960066854, 0], [0, 0, 8.0048]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:05:52      -30.020015         0.333365
BFGS:    1 13:05:52      -30.022854         0.262615
BFGS:    2 13:05:52      -30.027414         0.006288
BFGS:    3 13:05:52      -30.027417         0.000114
BFGS:    4 13:05:52      -30.027417         0.000000
BFGS:    5 13:05:52      -30.027417         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.4367993067982667e-31 eV/Angstrom
Maximum stress component: 3.633069596549004e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333336e-09 2.50000000e-01]
 [9.99999997e-01 3.33333336e-09 7.50000000e-01]]
cellpar =  Cell([[2.497864462176448, -1.889955723976802e-18, -2.546841180961459e-41], [-1.248932231088224, 2.1632140794551584, -5.093694032852769e-41], [7.996848361744774e-37, 2.308038415558651e-36, 8.0048]])
forces =  [[-2.05257044e-32  3.55515629e-32 -8.37128351e-73]
 [ 2.05257044e-32 -3.55515629e-32 -7.91771253e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.43679931e-31  3.55515629e-32 -9.89710928e-68]]
stress =  [-3.63306960e-14 -3.63306960e-14 -2.22499034e-53 -1.89818792e-33
 -1.78877767e-49  8.65776074e-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