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 14:23:33       79.961703      121.0881
BFGS:    1 14:23:33       39.461423       82.2450
BFGS:    2 14:23:33       11.533063       55.4363
BFGS:    3 14:23:33       -7.305541       36.8657
BFGS:    4 14:23:33      -19.032444       23.5113
BFGS:    5 14:23:33      -25.873343       12.5937
BFGS:    6 14:23:33      -28.677134        3.9452
BFGS:    7 14:23:33      -29.009340        0.9357
BFGS:    8 14:23:33      -29.078642        1.0251
BFGS:    9 14:23:33      -29.238789        1.3770
BFGS:   10 14:23:33      -29.388783        1.5686
BFGS:   11 14:23:33      -29.533478        1.6978
BFGS:   12 14:23:33      -29.694382        1.8347
BFGS:   13 14:23:33      -29.862993        1.8650
BFGS:   14 14:23:33      -30.022214        1.9428
BFGS:   15 14:23:33      -30.161024        2.0950
BFGS:   16 14:23:33      -30.274883        2.2156
BFGS:   17 14:23:33      -30.367461        2.2350
BFGS:   18 14:23:33      -30.445089        2.1286
BFGS:   19 14:23:33      -30.512609        1.8742
BFGS:   20 14:23:33      -30.569736        1.4374
BFGS:   21 14:23:33      -30.608710        0.7307
BFGS:   22 14:23:33      -30.617985        0.3933
BFGS:   23 14:23:34      -30.624708        0.1141
BFGS:   24 14:23:34      -30.627157        0.0822
BFGS:   25 14:23:34      -30.627894        0.0760
BFGS:   26 14:23:34      -30.628943        0.1207
BFGS:   27 14:23:34      -30.631526        0.1903
BFGS:   28 14:23:34      -30.635903        0.2436
BFGS:   29 14:23:34      -30.642232        0.2287
BFGS:   30 14:23:34      -30.647074        0.1173
BFGS:   31 14:23:34      -30.648247        0.0175
BFGS:   32 14:23:34      -30.648272        0.0008
BFGS:   33 14:23:34      -30.648272        0.0001
BFGS:   34 14:23:34      -30.648272        0.0000
BFGS:   35 14:23:34      -30.648272        0.0000
BFGS:   36 14:23:34      -30.648272        0.0000
BFGS:   37 14:23:34      -30.648272        0.0000
BFGS:   38 14:23:34      -30.648272        0.0000
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.