element(s):
['N', 'O']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9523', '0.11611395']
model name:
Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'O']
representative atom coordinates =  [[0.11611395 0.11611395 0.11611395]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[5.9523, 0, 0], [0, 5.9523, 0], [0, 0, 5.9523]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:15       -8.901281         1.638585
BFGS:    1 16:21:15       -8.954046         1.625871
BFGS:    2 16:21:15      -12.288320        12.016262
BFGS:    3 16:21:15      -16.646907         7.734223
BFGS:    4 16:21:15      -18.634794         2.095425
BFGS:    5 16:21:15      -18.824688         0.358757
BFGS:    6 16:21:15      -18.831427         0.079213
BFGS:    7 16:21:15      -18.831713         0.069528
BFGS:    8 16:21:15      -18.832817         0.094574
BFGS:    9 16:21:15      -18.835183         0.193256
BFGS:   10 16:21:15      -18.841156         0.337079
BFGS:   11 16:21:15      -18.847686         0.403856
BFGS:   12 16:21:15      -18.854739         0.425317
BFGS:   13 16:21:16      -18.861991         0.417656
BFGS:   14 16:21:16      -18.869066         0.389937
BFGS:   15 16:21:16      -18.875627         0.348433
BFGS:   16 16:21:16      -18.881421         0.297759
BFGS:   17 16:21:16      -18.886289         0.241301
BFGS:   18 16:21:16      -18.890153         0.181580
BFGS:   19 16:21:16      -18.892992         0.120646
BFGS:   20 16:21:16      -18.894832         0.060560
BFGS:   21 16:21:16      -18.895741         0.004423
BFGS:   22 16:21:16      -18.895902         0.021925
BFGS:   23 16:21:16      -18.895919         0.016749
BFGS:   24 16:21:16      -18.895935         0.000776
BFGS:   25 16:21:16      -18.895935         0.000040
BFGS:   26 16:21:16      -18.895935         0.000001
BFGS:   27 16:21:16      -18.895935         0.000000
BFGS:   28 16:21:16      -18.895935         0.000000
Minimization converged after 28 steps.
Maximum force component: 1.2839079289647167e-09 eV/Angstrom
Maximum stress component: 3.281222120092762e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N', 'O', 'O', 'O', 'O']
basis =  [[1.28110155e-01 1.28110155e-01 1.28110155e-01]
 [3.71889845e-01 8.71889845e-01 6.28110155e-01]
 [8.71889845e-01 6.28110155e-01 3.71889845e-01]
 [6.28110155e-01 3.71889845e-01 8.71889845e-01]
 [8.71889845e-01 8.71889845e-01 8.71889845e-01]
 [6.28110155e-01 1.28110155e-01 3.71889845e-01]
 [1.28110155e-01 3.71889845e-01 6.28110155e-01]
 [3.71889845e-01 6.28110155e-01 1.28110155e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 6.61445303e-54 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[6.313741799031381, 2.4317242760840032e-37, 0.0], [-4.977451470714909e-37, 6.313741799031381, 0.0], [0.0, 0.0, 6.313741799031381]])
forces =  [[-1.28390793e-09 -1.28390793e-09 -1.28390793e-09]
 [ 1.28390793e-09  1.28390793e-09 -1.28390793e-09]
 [ 1.28390793e-09 -1.28390793e-09  1.28390793e-09]
 [-1.28390793e-09  1.28390793e-09  1.28390793e-09]
 [ 1.28390793e-09  1.28390793e-09  1.28390793e-09]
 [-1.28390793e-09 -1.28390793e-09  1.28390793e-09]
 [-1.28390793e-09  1.28390793e-09 -1.28390793e-09]
 [ 1.28390793e-09 -1.28390793e-09 -1.28390793e-09]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.28122212e-11  3.28122212e-11  3.28122212e-11  0.00000000e+00
  0.00000000e+00 -5.83310973e-65]
energy per atom =  -1.4871010991315459
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0