element(s):
['B', 'C', 'N']
AFLOW prototype label:
A2BC_tP4_115_g_a_c
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5275', '1.5676756', '0.26956069']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'C', 'N']
representative atom coordinates =  [[0.         0.5        0.26956069]
 [0.         0.         0.        ]
 [0.5        0.5        0.5       ]]
spacegroup =  115
cell =  [[2.5275, 0, 0], [0, 2.5275, 0], [0, 0, 3.9623]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:09:36      -25.809426        1.4028
BFGS:    1 16:09:36      -25.856580        1.2463
BFGS:    2 16:09:36      -25.923102        0.8671
BFGS:    3 16:09:36      -25.954182        0.5794
BFGS:    4 16:09:36      -25.970980        0.4764
BFGS:    5 16:09:36      -25.982105        0.3231
BFGS:    6 16:09:36      -25.987349        0.2992
BFGS:    7 16:09:36      -25.993794        0.3136
BFGS:    8 16:09:36      -26.003165        0.4356
BFGS:    9 16:09:36      -26.011863        0.3565
BFGS:   10 16:09:36      -26.015682        0.1507
BFGS:   11 16:09:36      -26.016380        0.0209
BFGS:   12 16:09:36      -26.016409        0.0014
BFGS:   13 16:09:36      -26.016410        0.0002
BFGS:   14 16:09:36      -26.016410        0.0000
BFGS:   15 16:09:36      -26.016410        0.0000
BFGS:   16 16:09:36      -26.016410        0.0000
BFGS:   17 16:09:36      -26.016410        0.0000
Minimization converged after 17 steps.
Maximum force component: 3.069005882760934e-09 eV/Angstrom
Maximum stress component: 1.2028326048054035e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'C', 'N']
basis =  [[1.57139588e-51 5.00000000e-01 2.73700665e-01]
 [5.00000000e-01 0.00000000e+00 7.26299335e-01]
 [1.35411439e-37 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[2.551328487114796, 9.850258541320906e-36, -2.354661427367376e-38], [-2.1788176465025929e-35, 2.551328487114795, -2.2545405589461756e-18], [2.6317330164129862e-37, -3.572900900951686e-18, 3.661706500566427]])
forces =  [[ 2.20574863e-46 -2.99457477e-27  3.06900588e-09]
 [-9.43426547e-32  2.99457477e-27 -3.06900588e-09]
 [-7.86188789e-33 -3.03534526e-68  7.25586072e-71]
 [-7.86188789e-32 -3.03534526e-67  7.25586072e-70]]
stress =  [ 6.79671315e-10  6.79671315e-10  1.20283260e-09 -1.70413656e-26
  1.29223710e-46 -1.12741315e-60]
energy per atom =  -6.504102454197624
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0