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_ADP_TseplyaevStarikov_2016_UN__SM_474015477315_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 15:17:51       79.961703       121.088117
BFGS:    1 15:17:51       39.461423        82.244973
BFGS:    2 15:17:51       11.533063        55.436255
BFGS:    3 15:17:51       -7.305541        36.865678
BFGS:    4 15:17:51      -19.032444        23.511284
BFGS:    5 15:17:51      -25.873343        12.593682
BFGS:    6 15:17:51      -28.677134         3.945199
BFGS:    7 15:17:51      -29.009340         0.935651
BFGS:    8 15:17:51      -29.078642         1.025069
BFGS:    9 15:17:51      -29.238789         1.376955
BFGS:   10 15:17:51      -29.388783         1.568629
BFGS:   11 15:17:51      -29.533478         1.697796
BFGS:   12 15:17:51      -29.694382         1.834717
BFGS:   13 15:17:51      -29.862993         1.864955
BFGS:   14 15:17:51      -30.022214         1.942755
BFGS:   15 15:17:51      -30.161024         2.095008
BFGS:   16 15:17:51      -30.274883         2.215590
BFGS:   17 15:17:51      -30.367461         2.234985
BFGS:   18 15:17:51      -30.445089         2.128583
BFGS:   19 15:17:51      -30.512609         1.874198
BFGS:   20 15:17:51      -30.569736         1.437377
BFGS:   21 15:17:51      -30.608710         0.730712
BFGS:   22 15:17:51      -30.617985         0.393300
BFGS:   23 15:17:51      -30.624708         0.114125
BFGS:   24 15:17:51      -30.627157         0.082189
BFGS:   25 15:17:51      -30.627894         0.076045
BFGS:   26 15:17:51      -30.628943         0.120691
BFGS:   27 15:17:51      -30.631526         0.190267
BFGS:   28 15:17:51      -30.635903         0.243641
BFGS:   29 15:17:51      -30.642232         0.228689
BFGS:   30 15:17:51      -30.647074         0.117283
BFGS:   31 15:17:51      -30.648247         0.017454
BFGS:   32 15:17:51      -30.648272         0.000770
BFGS:   33 15:17:51      -30.648272         0.000105
BFGS:   34 15:17:51      -30.648272         0.000005
BFGS:   35 15:17:51      -30.648272         0.000001
BFGS:   36 15:17:51      -30.648272         0.000000
BFGS:   37 15:17:51      -30.648272         0.000000
BFGS:   38 15:17:51      -30.648272         0.000000
Minimization converged after 38 steps.
Maximum force component: 9.455255316406555e-10 eV/Angstrom
Maximum stress component: 2.199986424401436e-11 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([5.648804298060686, 5.648804298060686, 5.648804298060686])
forces =  [[-8.77903124e-10 -8.77903124e-10 -8.77903124e-10]
 [ 8.77903124e-10  8.77903124e-10 -8.77903124e-10]
 [ 8.77903124e-10 -8.77903124e-10  8.77903124e-10]
 [-8.77903124e-10  8.77903124e-10  8.77903124e-10]
 [ 9.45525532e-10  9.45525532e-10  9.45525532e-10]
 [-9.45525532e-10 -9.45525532e-10  9.45525532e-10]
 [-9.45525532e-10  9.45525532e-10 -9.45525532e-10]
 [ 9.45525532e-10 -9.45525532e-10 -9.45525532e-10]]
stress =  [2.19998642e-11 2.19998642e-11 2.19998642e-11 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -3.831034041204072
===============================================
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.