element(s):
['B', 'N']
AFLOW prototype label:
AB_tP8_131_j_l
Parameter names:
['a', 'c/a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.1294', '0.28730256', '0.71602778', '0.71577242']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.71602778 0.         0.        ]
 [0.71577242 0.         0.5       ]]
spacegroup =  131
cell =  [[9.1294, 0, 0], [0, 9.1294, 0], [0, 0, 2.6229]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:59:48      -48.196329         5.632761
BFGS:    1 14:59:48      -48.459005         4.874836
BFGS:    2 14:59:48      -48.684728         4.149193
BFGS:    3 14:59:48      -48.875222         3.454478
BFGS:    4 14:59:48      -49.032310         2.789092
BFGS:    5 14:59:48      -49.158068         2.150856
BFGS:    6 14:59:48      -49.255187         1.536257
BFGS:    7 14:59:48      -49.327709         0.938735
BFGS:    8 14:59:48      -49.382452         0.401499
BFGS:    9 14:59:48      -49.430134         0.534222
BFGS:   10 14:59:48      -49.480552         0.937488
BFGS:   11 14:59:48      -49.535928         1.694235
BFGS:   12 14:59:48      -49.597032         2.651027
BFGS:   13 14:59:48      -49.694706         2.915013
BFGS:   14 14:59:48      -49.895835         3.014972
BFGS:   15 14:59:48      -50.041440         2.847619
BFGS:   16 14:59:48      -50.169954         2.537843
BFGS:   17 14:59:48      -50.285226         2.152475
BFGS:   18 14:59:48      -50.381466         1.734343
BFGS:   19 14:59:48      -50.457111         1.279870
BFGS:   20 14:59:48      -50.509158         0.785263
BFGS:   21 14:59:48      -50.529244         0.496214
BFGS:   22 14:59:48      -50.530624         0.491982
BFGS:   23 14:59:48      -50.540261         0.079305
BFGS:   24 14:59:48      -50.540245         0.093120
BFGS:   25 14:59:48      -50.540323         0.000266
BFGS:   26 14:59:48      -50.540323         0.000019
BFGS:   27 14:59:48      -50.540323         0.000000
BFGS:   28 14:59:48      -50.540323         0.000000
Minimization converged after 28 steps.
Maximum force component: 4.0964922239239415e-09 eV/Angstrom
Maximum stress component: 1.4858664550642623e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']
basis =  [[7.33577373e-01 0.00000000e+00 3.76158192e-36]
 [2.66422627e-01 5.13720842e-36 0.00000000e+00]
 [0.00000000e+00 7.33577373e-01 5.00000000e-01]
 [7.07187512e-35 2.66422627e-01 5.00000000e-01]
 [6.98222827e-01 0.00000000e+00 5.00000000e-01]
 [3.01777173e-01 0.00000000e+00 5.00000000e-01]
 [6.22984428e-37 6.98222827e-01 4.60457108e-33]
 [0.00000000e+00 3.01777173e-01 1.15114277e-33]]
cellpar =  Cell([[9.133168400215752, -4.507913752497681e-36, -5.341808762826176e-33], [1.3464069111276727e-35, 9.13316840021575, -3.366217683038738e-17], [3.1925149134486896e-32, -1.035647219522782e-17, 2.6768946424863467]])
forces =  [[-4.09649222e-09  2.07302352e-45  2.39595692e-42]
 [ 4.09649222e-09 -2.05271373e-45 -2.39595692e-42]
 [-6.04371430e-45 -4.09649222e-09  1.50983561e-26]
 [ 6.01403075e-45  4.09649222e-09 -1.50984014e-26]
 [ 4.09649077e-09 -2.05690629e-45  1.31981096e-31]
 [-4.09649077e-09  2.05014651e-45  2.39595608e-42]
 [ 6.03277612e-45  4.09649077e-09 -1.50984621e-26]
 [-5.98903195e-45 -4.09649077e-09  1.50984621e-26]]
stress =  [ 1.18477511e-11  1.18477511e-11 -1.48586646e-11  5.16471136e-27
 -1.56521538e-43  1.52770190e-59]
energy per atom =  -6.31754040549194
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0