element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_194_b_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.5128', '3.137894']
Parameter values for parameter set 1:
['2.5119', '2.9392492']
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.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.5128, 0, 0], [-1.2564, 2.1761486346295, 0], [0, 0, 7.8849]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:48:26      -30.018802        0.3594
BFGS:    1 15:48:26      -30.022102        0.2833
BFGS:    2 15:48:26      -30.027413        0.0073
BFGS:    3 15:48:26      -30.027417        0.0001
BFGS:    4 15:48:26      -30.027417        0.0000
BFGS:    5 15:48:26      -30.027417        0.0000
Minimization converged after 5 steps.
Maximum force component: 1.6420563506265822e-31 eV/Angstrom
Maximum stress component: 6.6385544962048e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[1.06969986e-36 1.94348399e-36 2.50000000e-01]
 [6.86684736e-37 1.81466928e-36 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4978644621764357, 1.3649260047362278e-18, 1.5529453709552606e-41], [-1.2489322310882178, 2.1632140794551464, 4.658791847964944e-41], [1.4707994363404654e-40, 5.4127165252250345e-40, 7.884899999999999]])
forces =  [[ 4.10514088e-32 -7.11031257e-32 -1.53130781e-72]
 [-8.21028175e-32 -4.48640318e-50 -6.36406964e-54]
 [ 1.64205635e-31 -1.42206251e-31 -2.55217484e-72]
 [-8.21028175e-32 -4.48640318e-50  6.46154682e-54]]
stress =  [-6.63855450e-14 -6.63855450e-14  2.08299581e-32  9.93636341e-34
  5.21523827e-35 -1.54334538e-29]
energy per atom =  -7.506854206003441
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.5119, 0, 0], [-1.25595, 2.1753692117661, 0], [0, 0, 7.3831]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:48:27      -30.019801        0.3381
BFGS:    1 15:48:27      -30.022721        0.2664
BFGS:    2 15:48:27      -30.027414        0.0065
BFGS:    3 15:48:27      -30.027417        0.0001
BFGS:    4 15:48:27      -30.027417        0.0000
BFGS:    5 15:48:27      -30.027417        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.7709700916823698e-31 eV/Angstrom
Maximum stress component: 4.154871372782357e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[0.00000000e+00 3.74198796e-37 2.50000000e-01]
 [7.33949255e-37 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4978644621764463, -1.4501626793346069e-18, -1.5736839859869217e-49], [-1.2489322310882232, 2.1632140794551566, -2.8425069330848394e-41], [-8.856970005914997e-50, 9.234518648192614e-37, 7.383099999999999]])
forces =  [[ 6.15771131e-32 -3.55515629e-32  4.67154704e-73]
 [-1.23154226e-31  7.11031257e-32 -9.34309408e-73]
 [-1.64205635e-31  7.11031257e-32  9.12838655e-68]
 [ 2.77097009e-31 -1.24430470e-31 -9.12831647e-68]]
stress =  [-4.15487137e-14 -4.15487137e-14 -1.72700613e-53 -3.08703959e-33
 -1.78230314e-33 -8.31047717e-30]
energy per atom =  -7.506854206003448
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 1