element(s):
['N']
AFLOW prototype label:
A_cP8_198_2a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.9467', '0.062777283', '0.95474']
model name:
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'N']
representative atom coordinates =  [[0.06277728 0.06277728 0.06277728]
 [0.95474    0.95474    0.95474   ]]
spacegroup =  198
cell =  [[5.9467, 0, 0], [0, 5.9467, 0], [0, 0, 5.9467]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:24:21      -44.270572        1.9097
BFGS:    1 14:24:21      -42.405176       19.7901
BFGS:    2 14:24:21      -44.292663        0.3694
BFGS:    3 14:24:21      -44.293447        0.0694
BFGS:    4 14:24:21      -44.293482        0.0117
BFGS:    5 14:24:21      -44.293493        0.0188
BFGS:    6 14:24:21      -44.293619        0.0983
BFGS:    7 14:24:21      -44.293848        0.1832
BFGS:    8 14:24:21      -44.294484        0.3186
BFGS:    9 14:24:21      -44.295737        0.4347
BFGS:   10 14:24:21      -44.296995        0.4022
BFGS:   11 14:24:21      -44.297841        0.1959
BFGS:   12 14:24:21      -44.298090        0.0825
BFGS:   13 14:24:21      -44.298152        0.0015
BFGS:   14 14:24:21      -44.298152        0.0013
BFGS:   15 14:24:21      -44.298153        0.0013
BFGS:   16 14:24:21      -44.298154        0.0021
BFGS:   17 14:24:21      -44.298158        0.0034
BFGS:   18 14:24:21      -44.298166        0.0051
BFGS:   19 14:24:21      -44.298182        0.0067
BFGS:   20 14:24:21      -44.298204        0.0064
BFGS:   21 14:24:21      -44.298219        0.0031
BFGS:   22 14:24:21      -44.298223        0.0006
BFGS:   23 14:24:21      -44.298223        0.0001
BFGS:   24 14:24:21      -44.298223        0.0000
BFGS:   25 14:24:21      -44.298223        0.0000
BFGS:   26 14:24:21      -44.298223        0.0000
Minimization converged after 26 steps.
Maximum force component: 2.697793294319701e-09 eV/Angstrom
Maximum stress component: 1.353450637334804e-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([5.841177098073378, 5.841177098073378, 5.841177098073378])
forces =  [[ 1.35445492e-09  1.35445492e-09  1.35445492e-09]
 [-1.35445492e-09 -1.35445492e-09  1.35445492e-09]
 [-1.35445492e-09  1.35445492e-09 -1.35445492e-09]
 [ 1.35445492e-09 -1.35445492e-09 -1.35445492e-09]
 [-2.69779329e-09 -2.69779329e-09 -2.69779329e-09]
 [ 2.69779329e-09  2.69779329e-09 -2.69779329e-09]
 [ 2.69779329e-09 -2.69779329e-09  2.69779329e-09]
 [-2.69779329e-09  2.69779329e-09  2.69779329e-09]]
stress =  [1.35345064e-11 1.35345064e-11 1.35345064e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -5.432705053607328
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cP8_198_2a, while relaxed is A_cP8_205_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.