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_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_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 14:24:22       79.945165      120.9355
BFGS:    1 14:24:22       39.306352       82.0086
BFGS:    2 14:24:22       10.834345       54.7459
BFGS:    3 14:24:22       -8.479708       35.7335
BFGS:    4 14:24:22      -19.795191       22.7273
BFGS:    5 14:24:22      -26.555963       11.6225
BFGS:    6 14:24:22      -29.206140        2.0789
BFGS:    7 14:24:22      -29.327062        0.9005
BFGS:    8 14:24:22      -29.399903        0.9980
BFGS:    9 14:24:22      -29.543474        1.3059
BFGS:   10 14:24:22      -29.715723        1.4289
BFGS:   11 14:24:22      -29.899374        1.4419
BFGS:   12 14:24:22      -30.078328        1.3715
BFGS:   13 14:24:22      -30.240830        1.2241
BFGS:   14 14:24:22      -30.379788        1.0273
BFGS:   15 14:24:22      -30.490187        0.7882
BFGS:   16 14:24:22      -30.570242        0.5403
BFGS:   17 14:24:22      -30.620991        0.3038
BFGS:   18 14:24:22      -30.644933        0.0946
BFGS:   19 14:24:22      -30.648178        0.0097
BFGS:   20 14:24:22      -30.648269        0.0094
BFGS:   21 14:24:22      -30.648272        0.0040
BFGS:   22 14:24:22      -30.648272        0.0004
BFGS:   23 14:24:22      -30.648272        0.0000
BFGS:   24 14:24:22      -30.648272        0.0000
BFGS:   25 14:24:22      -30.648272        0.0000
BFGS:   26 14:24:22      -30.648272        0.0000
Minimization converged after 26 steps.
Maximum force component: 2.911302362379465e-10 eV/Angstrom
Maximum stress component: 9.822438194255998e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.09077686 0.09077686 0.09077686]
 [0.40922314 0.90922314 0.59077686]
 [0.90922314 0.59077686 0.40922314]
 [0.59077686 0.40922314 0.90922314]
 [0.90922314 0.90922314 0.90922314]
 [0.59077686 0.09077686 0.40922314]
 [0.09077686 0.40922314 0.59077686]
 [0.40922314 0.59077686 0.09077686]]
cellpar =  Cell([[5.648804298067622, 1.5107901263868646e-34, 0.0], [-1.2200560475245517e-34, 5.648804298067622, 0.0], [0.0, 0.0, 5.648804298067622]])
forces =  [[-2.91130236e-10 -2.91130236e-10 -2.91130236e-10]
 [ 2.91130236e-10  2.91130236e-10 -2.91130236e-10]
 [ 2.91130236e-10 -2.91130236e-10  2.91130236e-10]
 [-2.91130236e-10  2.91130236e-10  2.91130236e-10]
 [ 2.91130236e-10  2.91130236e-10  2.91130236e-10]
 [-2.91130236e-10 -2.91130236e-10  2.91130236e-10]
 [-2.91130236e-10  2.91130236e-10 -2.91130236e-10]
 [ 2.91130236e-10 -2.91130236e-10 -2.91130236e-10]]
stress =  [ 9.82243819e-12  9.82243819e-12  9.82243819e-12  0.00000000e+00
  0.00000000e+00 -4.38743754e-62]
energy per atom =  -3.831034041204075
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0