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 17:42:57       79.945165       120.935526
BFGS:    1 17:42:57       39.306352        82.008569
BFGS:    2 17:42:57       10.834345        54.745851
BFGS:    3 17:42:57       -8.479708        35.733517
BFGS:    4 17:42:57      -19.795191        22.727290
BFGS:    5 17:42:57      -26.555963        11.622511
BFGS:    6 17:42:57      -29.206140         2.078888
BFGS:    7 17:42:57      -29.327062         0.900487
BFGS:    8 17:42:57      -29.399903         0.998016
BFGS:    9 17:42:57      -29.543474         1.305909
BFGS:   10 17:42:57      -29.715723         1.428909
BFGS:   11 17:42:57      -29.899374         1.441925
BFGS:   12 17:42:57      -30.078328         1.371480
BFGS:   13 17:42:57      -30.240830         1.224067
BFGS:   14 17:42:57      -30.379788         1.027324
BFGS:   15 17:42:57      -30.490187         0.788231
BFGS:   16 17:42:57      -30.570242         0.540254
BFGS:   17 17:42:57      -30.620991         0.303797
BFGS:   18 17:42:57      -30.644933         0.094620
BFGS:   19 17:42:57      -30.648178         0.009691
BFGS:   20 17:42:57      -30.648269         0.009426
BFGS:   21 17:42:57      -30.648272         0.004020
BFGS:   22 17:42:57      -30.648272         0.000447
BFGS:   23 17:42:57      -30.648272         0.000016
BFGS:   24 17:42:57      -30.648272         0.000002
BFGS:   25 17:42:58      -30.648272         0.000000
BFGS:   26 17:42:58      -30.648272         0.000000
Minimization converged after 26 steps.
Maximum force component: 2.911359616204988e-10 eV/Angstrom
Maximum stress component: 9.822600087848032e-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, 1.0614555419430436e-34, 0.0], [4.6961312538631963e-35, 5.648804298067622, 0.0], [0.0, 0.0, 5.648804298067622]])
forces =  [[-2.91135962e-10 -2.91135962e-10 -2.91135962e-10]
 [ 2.91135962e-10  2.91135962e-10 -2.91135962e-10]
 [ 2.91135962e-10 -2.91135962e-10  2.91135962e-10]
 [-2.91135962e-10  2.91135962e-10  2.91135962e-10]
 [ 2.91135962e-10  2.91135962e-10  2.91135962e-10]
 [-2.91135962e-10 -2.91135962e-10  2.91135962e-10]
 [-2.91135962e-10  2.91135962e-10 -2.91135962e-10]
 [ 2.91135962e-10 -2.91135962e-10 -2.91135962e-10]]
stress =  [9.82260009e-12 9.82260009e-12 9.82260009e-12 0.00000000e+00
 0.00000000e+00 2.63541725e-62]
energy per atom =  -3.8310340412040746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0