element(s):
['N']
AFLOW prototype label:
A_cP8_205_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8863', '0.054565089']
model name:
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.05456509 0.05456509 0.05456509]]
spacegroup =  205
cell =  [[5.8863, 0, 0], [0, 5.8863, 0], [0, 0, 5.8863]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:42:55      -44.273653         1.949963
BFGS:    1 17:42:55      -42.314545        20.241805
BFGS:    2 17:42:55      -44.296849         0.372919
BFGS:    3 17:42:55      -44.297666         0.065005
BFGS:    4 17:42:56      -44.297692         0.005763
BFGS:    5 17:42:56      -44.297694         0.005986
BFGS:    6 17:42:56      -44.297827         0.078734
BFGS:    7 17:42:56      -44.297976         0.116113
BFGS:    8 17:42:56      -44.298157         0.098389
BFGS:    9 17:42:56      -44.298212         0.041681
BFGS:   10 17:42:56      -44.298223         0.006337
BFGS:   11 17:42:56      -44.298223         0.000111
BFGS:   12 17:42:56      -44.298223         0.000018
BFGS:   13 17:42:56      -44.298223         0.000000
BFGS:   14 17:42:56      -44.298223         0.000000
Minimization converged after 14 steps.
Maximum force component: 9.798260959322859e-10 eV/Angstrom
Maximum stress component: 1.1212020056214482e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.05528664 0.05528664 0.05528664]
 [0.44471336 0.94471336 0.55528664]
 [0.94471336 0.55528664 0.44471336]
 [0.55528664 0.44471336 0.94471336]
 [0.94471336 0.94471336 0.94471336]
 [0.55528664 0.05528664 0.44471336]
 [0.05528664 0.44471336 0.55528664]
 [0.44471336 0.55528664 0.05528664]]
cellpar =  Cell([[5.8411770908669105, 2.3304319381893857e-35, 0.0], [-6.075466806537098e-39, 5.8411770908669105, 0.0], [0.0, 0.0, 5.8411770908669105]])
forces =  [[ 9.79826096e-10  9.79826096e-10  9.79826096e-10]
 [-9.79826096e-10 -9.79826096e-10  9.79826096e-10]
 [-9.79826096e-10  9.79826096e-10 -9.79826096e-10]
 [ 9.79826096e-10 -9.79826096e-10 -9.79826096e-10]
 [-9.79826096e-10 -9.79826096e-10 -9.79826096e-10]
 [ 9.79826096e-10  9.79826096e-10 -9.79826096e-10]
 [ 9.79826096e-10 -9.79826096e-10  9.79826096e-10]
 [-9.79826096e-10  9.79826096e-10  9.79826096e-10]]
stress =  [-1.12120201e-11 -1.12120201e-11 -1.12120201e-11  0.00000000e+00
  0.00000000e+00  1.54137542e-32]
energy per atom =  -5.432705053607321
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0