element(s):
['N']
AFLOW prototype label:
A_cI8_199_a
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8018', '0.66473467']
model name:
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.16473467 0.16473467 0.16473467]]
spacegroup =  199
cell =  [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:20:13      -16.359385        9.1615
BFGS:    1 18:20:13      -17.738792        9.2252
BFGS:    2 18:20:13      -19.154894        9.4089
BFGS:    3 18:20:13      -20.594250        9.5673
BFGS:    4 18:20:13      -22.070146        9.8226
BFGS:    5 18:20:13      -23.577561        9.3762
BFGS:    6 18:20:13      -24.941934        8.7908
BFGS:    7 18:20:13      -26.226116        8.3344
BFGS:    8 18:20:13      -27.411381        7.3987
BFGS:    9 18:20:13      -28.529328        7.0694
BFGS:   10 18:20:14      -29.561637        6.6138
BFGS:   11 18:20:14      -30.539240        6.3024
BFGS:   12 18:20:14      -31.482386        6.3536
BFGS:   13 18:20:14      -32.436918        6.5834
BFGS:   14 18:20:14      -33.441960        7.1893
BFGS:   15 18:20:14      -34.570445        5.0393
BFGS:   16 18:20:14      -34.617073        8.1876
BFGS:   17 18:20:14      -35.596420        5.6059
BFGS:   18 18:20:14      -36.206298        0.8934
BFGS:   19 18:20:14      -36.336119        2.7370
BFGS:   20 18:20:14      -36.402387        2.0123
BFGS:   21 18:20:14      -36.450280        0.1538
BFGS:   22 18:20:14      -36.462499        1.1502
BFGS:   23 18:20:14      -36.468311        0.3062
BFGS:   24 18:20:14      -36.470511        0.0503
BFGS:   25 18:20:14      -36.470919        0.0672
BFGS:   26 18:20:14      -36.470961        0.0023
BFGS:   27 18:20:14      -36.470962        0.0011
BFGS:   28 18:20:14      -36.470962        0.0001
BFGS:   29 18:20:14      -36.470962        0.0000
Minimization converged after 29 steps.
Maximum force component: 1.792584433870509e-09 eV/Angstrom
Maximum stress component: 2.5075692016745827e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.13751476 0.13751476 0.13751476]
 [0.36248524 0.86248524 0.63751476]
 [0.86248524 0.63751476 0.36248524]
 [0.63751476 0.36248524 0.86248524]
 [0.63751476 0.63751476 0.63751476]
 [0.86248524 0.36248524 0.13751476]
 [0.36248524 0.13751476 0.86248524]
 [0.13751476 0.86248524 0.36248524]]
cellpar =  Cell([4.277672238610903, 4.277672238610903, 4.277672238610903])
forces =  [[-1.79258443e-09 -1.79258443e-09 -1.79258443e-09]
 [ 1.79258443e-09  1.79258443e-09 -1.79258443e-09]
 [ 1.79258443e-09 -1.79258443e-09  1.79258443e-09]
 [-1.79258443e-09  1.79258443e-09  1.79258443e-09]
 [-1.79258443e-09 -1.79258443e-09 -1.79258443e-09]
 [ 1.79258443e-09  1.79258443e-09 -1.79258443e-09]
 [ 1.79258443e-09 -1.79258443e-09  1.79258443e-09]
 [-1.79258443e-09  1.79258443e-09  1.79258443e-09]]
stress =  [2.5075692e-10 2.5075692e-10 2.5075692e-10 0.0000000e+00 0.0000000e+00
 0.0000000e+00]
energy per atom =  -4.454297414150879
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0