element(s):
['N']
AFLOW prototype label:
A_cI8_199_a
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8018', '0.66473467']
model name:
Sim_LAMMPS_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['N']
representative atom coordinates =  [[0.16473467 0.16473467 0.16473467]]
spacegroup =  199
cell =  [[3.8018, 0, 0], [0, 3.8018, 0], [0, 0, 3.8018]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:23:45       85.637802        39.380416
BFGS:    1 17:23:45       65.206279        40.837665
BFGS:    2 17:23:45       50.129728        40.620343
BFGS:    3 17:23:45       36.011387        39.614330
BFGS:    4 17:23:45       20.636024        37.193802
BFGS:    5 17:23:45        3.081326        32.919529
BFGS:    6 17:23:45      -11.476045        27.898616
BFGS:    7 17:23:45      -23.380739        22.436083
BFGS:    8 17:23:45      -32.792654        16.812044
BFGS:    9 17:23:45      -39.878841        11.555258
BFGS:   10 17:23:46      -44.862139         9.456843
BFGS:   11 17:23:46      -47.917255         7.772716
BFGS:   12 17:23:46      -49.469760         6.593733
BFGS:   13 17:23:46      -50.747588         5.859656
BFGS:   14 17:23:46      -51.549672         5.068086
BFGS:   15 17:23:46      -52.108634         3.998674
BFGS:   16 17:23:46      -52.475293         2.163153
BFGS:   17 17:23:46      -52.690355         1.663125
BFGS:   18 17:23:46      -52.792438         2.342763
BFGS:   19 17:23:46      -52.937899         2.188991
BFGS:   20 17:23:46      -53.072085         2.075398
BFGS:   21 17:23:46      -53.255548         1.605295
BFGS:   22 17:23:46      -53.345287         1.137217
BFGS:   23 17:23:46      -53.478987         0.995344
BFGS:   24 17:23:46      -53.580325         0.405307
BFGS:   25 17:23:46      -53.593944         0.102902
BFGS:   26 17:23:46      -53.595787         0.004076
BFGS:   27 17:23:46      -53.595788         0.000038
BFGS:   28 17:23:46      -53.595788         0.000000
BFGS:   29 17:23:46      -53.595788         0.000000
Minimization converged after 29 steps.
Maximum force component: 4.383565848272339e-12 eV/Angstrom
Maximum stress component: 2.1631297280577916e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'N', 'N', 'N', 'N']
basis =  [[0.25 0.25 0.25]
 [0.25 0.75 0.75]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.75 0.75 0.75]
 [0.75 0.25 0.25]
 [0.25 0.25 0.75]
 [0.25 0.75 0.25]]
cellpar =  Cell([4.220867708599823, 4.220867708599823, 4.220867708599823])
forces =  [[ 4.38356585e-12  4.38356585e-12  4.38356585e-12]
 [-4.38356585e-12 -4.38356585e-12  4.38356585e-12]
 [-4.38356585e-12  4.38356585e-12 -4.38356585e-12]
 [ 4.38356585e-12 -4.38356585e-12 -4.38356585e-12]
 [ 4.38356585e-12  4.38356585e-12  4.38356585e-12]
 [-4.38356585e-12 -4.38356585e-12  4.38356585e-12]
 [-4.38356585e-12  4.38356585e-12 -4.38356585e-12]
 [ 4.38356585e-12 -4.38356585e-12 -4.38356585e-12]]
stress =  [-2.16312973e-12 -2.16312973e-12 -2.16312973e-12  0.00000000e+00
  0.00000000e+00  0.00000000e+00]
energy per atom =  -6.699473548589055
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_cI8_199_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.