element(s):
['B', 'N']
AFLOW prototype label:
AB_hR2_160_a_a
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:
['2.5114485', '4.8418561', '0.9997266', '0.33313037']
model name:
Sim_LAMMPS_ExTeP_LosKroesAlbe_2017_BN__SM_692329995993_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.         0.         0.9997266 ]
 [0.         0.         0.33313037]]
spacegroup =  160
cell =  [[2.5114, 0, 0], [-1.2557, 2.1749361990642, 0], [0, 0, 12.1601]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:13:16      -40.137099        0.1627
BFGS:    1 13:13:17      -40.137814        0.1415
BFGS:    2 13:13:17      -40.139983        0.0118
BFGS:    3 13:13:17      -40.139993        0.0076
BFGS:    4 13:13:17      -40.140000        0.0000
BFGS:    5 13:13:17      -40.140000        0.0000
BFGS:    6 13:13:17      -40.140000        0.0000
Minimization converged after 6 steps.
Maximum force component: 2.4075429271882687e-10 eV/Angstrom
Maximum stress component: 2.0512674446465466e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'N', 'N', 'N']
basis =  [[2.79120808e-20 5.58241617e-20 9.99761818e-01]
 [6.66666667e-01 3.33333333e-01 3.33095152e-01]
 [3.33333333e-01 6.66666667e-01 6.66428485e-01]
 [6.80823666e-17 1.36164733e-16 3.33095152e-01]
 [6.66666667e-01 3.33333333e-01 6.66428485e-01]
 [3.33333333e-01 6.66666667e-01 9.99761818e-01]]
cellpar =  Cell([[2.503999867710065, 9.784397406952186e-19, -9.320716799831231e-23], [-1.2519999338550325, 2.1685274965097894, 2.338606478975082e-19], [-4.5173719879520635e-22, 4.4408790584158794e-16, 12.16009908983896]])
forces =  [[-8.94381444e-33  8.79236829e-27  2.40754293e-10]
 [-8.94381444e-33  8.79236829e-27  2.40754293e-10]
 [-4.47901059e-31  8.79274844e-27  2.40754293e-10]
 [-8.68970675e-31 -8.79084770e-27 -2.40754293e-10]
 [-3.23703473e-31 -8.79198814e-27 -2.40754293e-10]
 [-7.86666192e-31 -8.79094274e-27 -2.40754293e-10]]
stress =  [ 2.05126744e-12  2.05126744e-12  2.10436729e-22 -7.49124702e-29
  7.63077723e-35  1.11679486e-28]
energy per atom =  -6.690000045932199
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0