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 10:50:50      -44.270572         1.909742
BFGS:    1 10:50:50      -42.405176        19.790132
BFGS:    2 10:50:50      -44.292663         0.369391
BFGS:    3 10:50:50      -44.293447         0.069379
BFGS:    4 10:50:50      -44.293482         0.011690
BFGS:    5 10:50:50      -44.293493         0.018832
BFGS:    6 10:50:50      -44.293619         0.098288
BFGS:    7 10:50:51      -44.293848         0.183235
BFGS:    8 10:50:51      -44.294484         0.318587
BFGS:    9 10:50:51      -44.295737         0.434684
BFGS:   10 10:50:51      -44.296995         0.402240
BFGS:   11 10:50:51      -44.297841         0.195851
BFGS:   12 10:50:51      -44.298090         0.082535
BFGS:   13 10:50:51      -44.298152         0.001512
BFGS:   14 10:50:51      -44.298152         0.001324
BFGS:   15 10:50:51      -44.298153         0.001290
BFGS:   16 10:50:52      -44.298154         0.002118
BFGS:   17 10:50:52      -44.298158         0.003371
BFGS:   18 10:50:52      -44.298166         0.005133
BFGS:   19 10:50:52      -44.298182         0.006717
BFGS:   20 10:50:52      -44.298204         0.006367
BFGS:   21 10:50:52      -44.298219         0.003106
BFGS:   22 10:50:52      -44.298223         0.000555
BFGS:   23 10:50:52      -44.298223         0.000072
BFGS:   24 10:50:52      -44.298223         0.000005
BFGS:   25 10:50:52      -44.298223         0.000000
BFGS:   26 10:50:52      -44.298223         0.000000
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.