element(s):
['B', 'N']
AFLOW prototype label:
AB_hP4_187_ad_be
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:
['2.5122', '3.2395112']
model name:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'B', 'N', 'N']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]
 [0.         0.         0.5       ]
 [0.66666667 0.33333333 0.        ]]
spacegroup =  187
cell =  [[2.5122, 0, 0], [-1.2561, 2.1756290193873, 0], [0, 0, 8.1383]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:13:21      -26.757638        0.1801
BFGS:    1 13:13:21      -26.758475        0.1450
BFGS:    2 13:13:21      -26.760000        0.0020
BFGS:    3 13:13:21      -26.760000        0.0000
BFGS:    4 13:13:21      -26.760000        0.0000
Minimization converged after 4 steps.
Maximum force component: 3.292179337373488e-30 eV/Angstrom
Maximum stress component: 2.7958966196720595e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'N', 'N']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.33333333e-01 6.66666667e-01 5.00000000e-01]
 [0.00000000e+00 2.50772128e-37 5.00000000e-01]
 [6.66666667e-01 3.33333333e-01 0.00000000e+00]]
cellpar =  Cell([[2.5039998678482864, 2.7593494726725226e-19, -2.1862105298958237e-42], [-1.2519999339241432, 2.168527496629493, 2.1862105296768784e-42], [1.935124124848267e-37, -1.1172488457741914e-37, 8.138299999999996]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.29217934e-30 -1.14044438e-30 -3.44923204e-72]
 [-3.29217934e-30  1.14044438e-30  3.44923204e-72]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 2.79589662e-10  2.79589662e-10  4.21540069e-85  3.83828597e-48
 -6.64808007e-48  4.56417497e-26]
energy per atom =  -6.690000045932215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0