element(s):
['B', 'N']
AFLOW prototype label:
AB_cF8_216_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.625']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['B', 'N']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[3.625, 0, 0], [0, 3.625, 0], [0, 0, 3.625]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:02:45        5.622074        12.250686
BFGS:    1 19:02:45        3.501118        16.356332
BFGS:    2 19:02:45        0.681214        21.420384
BFGS:    3 19:02:45       -2.948409        27.094674
BFGS:    4 19:02:45       -8.332732        37.779725
BFGS:    5 19:02:45      -14.072595        38.760239
BFGS:    6 19:02:45      -20.048364        40.504749
BFGS:    7 19:02:45      -26.067759        39.279354
BFGS:    8 19:02:45      -31.695319        35.408735
BFGS:    9 19:02:45      -37.210004        29.926087
BFGS:   10 19:02:45      -41.233885        23.590493
BFGS:   11 19:02:45      -44.302375        17.501849
BFGS:   12 19:02:45      -46.537142        12.529549
BFGS:   13 19:02:45      -48.150330         9.405898
BFGS:   14 19:02:45      -48.827894         0.925259
BFGS:   15 19:02:46      -48.834874         0.109032
BFGS:   16 19:02:46      -48.834983         0.002313
BFGS:   17 19:02:46      -48.834983         0.000006
BFGS:   18 19:02:46      -48.834983         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.2950076927167572e-29 eV/Angstrom
Maximum stress component: 4.475388895002937e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['B', 'B', 'B', 'B', 'N', 'N', 'N', 'N']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[3.9398814695341717, 1.7810994937013708e-32, 1.053225296486847e-33], [-1.0074541718453702e-32, 3.9398814695341717, 1.7646688987217206e-17], [8.047071068187336e-35, 1.7646688987217213e-17, 3.9398814695341717]])
forces =  [[-5.18003077e-31 -5.18003077e-31 -5.18003077e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.05800329e-65 -2.32013051e-48 -5.18003077e-31]
 [-5.18003077e-31 -5.18003077e-31 -2.32013051e-48]
 [-7.25204308e-30 -8.28804923e-30  8.46611279e-30]
 [-2.34720144e-31  6.73404000e-30 -1.61875962e-31]
 [-9.91186747e-30 -1.29500769e-29  5.18003077e-31]
 [-5.18003077e-31  6.71785241e-30 -5.69803385e-30]]
stress =  [ 4.47538890e-11  4.47538890e-11  4.47538890e-11  1.25712777e-27
 -2.24560929e-61  1.60889363e-61]
energy per atom =  -6.04869339269038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0