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 16:33:09      -16.359385         9.161518
BFGS:    1 16:33:09      -17.738792         9.225162
BFGS:    2 16:33:09      -19.154894         9.408950
BFGS:    3 16:33:09      -20.594250         9.567261
BFGS:    4 16:33:09      -22.070146         9.822611
BFGS:    5 16:33:09      -23.577561         9.376223
BFGS:    6 16:33:09      -24.941934         8.790779
BFGS:    7 16:33:09      -26.226116         8.334404
BFGS:    8 16:33:09      -27.411381         7.398712
BFGS:    9 16:33:09      -28.529328         7.069409
BFGS:   10 16:33:09      -29.561637         6.613770
BFGS:   11 16:33:09      -30.539240         6.302352
BFGS:   12 16:33:09      -31.482386         6.353645
BFGS:   13 16:33:09      -32.436918         6.583406
BFGS:   14 16:33:09      -33.441960         7.189315
BFGS:   15 16:33:09      -34.570445         5.039267
BFGS:   16 16:33:09      -34.617073         8.187588
BFGS:   17 16:33:09      -35.596420         5.605935
BFGS:   18 16:33:09      -36.206298         0.893360
BFGS:   19 16:33:09      -36.336119         2.736977
BFGS:   20 16:33:09      -36.402387         2.012347
BFGS:   21 16:33:09      -36.450280         0.153802
BFGS:   22 16:33:09      -36.462499         1.150232
BFGS:   23 16:33:10      -36.468311         0.306201
BFGS:   24 16:33:10      -36.470511         0.050263
BFGS:   25 16:33:10      -36.470919         0.067200
BFGS:   26 16:33:10      -36.470961         0.002321
BFGS:   27 16:33:10      -36.470962         0.001124
BFGS:   28 16:33:10      -36.470962         0.000087
BFGS:   29 16:33:10      -36.470962         0.000000
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