element(s):
['N', 'Ti']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3117']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.3117, 0, 0], [0, 4.3117, 0], [0, 0, 4.3117]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:49:31     -124.304530        27.799162
BFGS:    1 15:49:31     -128.064087        22.430569
BFGS:    2 15:49:31     -131.062825        17.644686
BFGS:    3 15:49:31     -133.383708        13.383309
BFGS:    4 15:49:31     -135.101415         9.594062
BFGS:    5 15:49:31     -136.283168         6.229789
BFGS:    6 15:49:31     -136.989597         3.287973
BFGS:    7 15:49:31     -137.280777         0.648827
BFGS:    8 15:49:31     -137.293581         0.048705
BFGS:    9 15:49:31     -137.293655         0.000806
BFGS:   10 15:49:31     -137.293655         0.000001
BFGS:   11 15:49:31     -137.293655         0.000000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.980988417752458e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.21437859e-48 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[4.507508750433756, -3.0756482786172856e-32, -7.564937935355993e-33], [-2.966996825637917e-32, 4.507508750433756, -6.126417937905562e-18], [7.810141533776236e-33, -6.1264179379055654e-18, 4.507508750433756]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.98098842e-12 -1.98098842e-12 -1.98098842e-12 -1.91297376e-30
  3.23553447e-33 -6.39694339e-51]
energy per atom =  -17.16170692494361
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0