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 18:18:59       85.637802       39.3804
BFGS:    1 18:18:59       65.206279       40.8377
BFGS:    2 18:18:59       50.129728       40.6203
BFGS:    3 18:18:59       36.011387       39.6143
BFGS:    4 18:19:00       20.636024       37.1938
BFGS:    5 18:19:00        3.081326       32.9195
BFGS:    6 18:19:00      -11.476045       27.8986
BFGS:    7 18:19:00      -23.380739       22.4361
BFGS:    8 18:19:00      -32.792654       16.8120
BFGS:    9 18:19:00      -39.878841       11.5553
BFGS:   10 18:19:00      -44.862139        9.4568
BFGS:   11 18:19:00      -47.917255        7.7727
BFGS:   12 18:19:00      -49.469760        6.5937
BFGS:   13 18:19:00      -50.747588        5.8597
BFGS:   14 18:19:00      -51.549672        5.0681
BFGS:   15 18:19:00      -52.108634        3.9987
BFGS:   16 18:19:00      -52.475293        2.1632
BFGS:   17 18:19:00      -52.690355        1.6631
BFGS:   18 18:19:00      -52.792438        2.3428
BFGS:   19 18:19:00      -52.937899        2.1890
BFGS:   20 18:19:00      -53.072085        2.0754
BFGS:   21 18:19:00      -53.255548        1.6053
BFGS:   22 18:19:00      -53.345287        1.1372
BFGS:   23 18:19:00      -53.478987        0.9953
BFGS:   24 18:19:00      -53.580325        0.4053
BFGS:   25 18:19:00      -53.593944        0.1029
BFGS:   26 18:19:00      -53.595787        0.0041
BFGS:   27 18:19:00      -53.595788        0.0000
BFGS:   28 18:19:00      -53.595788        0.0000
BFGS:   29 18:19:00      -53.595788        0.0000
Minimization converged after 29 steps.
Maximum force component: 4.383021723342041e-12 eV/Angstrom
Maximum stress component: 2.163198257772582e-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 =  [[ 4.38302172e-12  4.38302172e-12  4.38302172e-12]
 [-4.38302172e-12 -4.38302172e-12  4.38302172e-12]
 [-4.38302172e-12  4.38302172e-12 -4.38302172e-12]
 [ 4.38302172e-12 -4.38302172e-12 -4.38302172e-12]
 [ 4.38302172e-12  4.38302172e-12  4.38302172e-12]
 [-4.38302172e-12 -4.38302172e-12  4.38302172e-12]
 [-4.38302172e-12  4.38302172e-12 -4.38302172e-12]
 [ 4.38302172e-12 -4.38302172e-12 -4.38302172e-12]]
stress =  [-2.16319826e-12 -2.16319826e-12 -2.16319826e-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.