element(s):
['N', 'Ti']
AFLOW prototype label:
AB_cP2_221_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:
['2.6986']
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 =  221
cell =  [[2.6986, 0, 0], [0, 2.6986, 0], [0, 0, 2.6986]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:31:41      -31.077922        20.111359
BFGS:    1 11:31:41      -32.862467         4.912268
BFGS:    2 11:31:41      -33.014086         1.519509
BFGS:    3 11:31:41      -33.031527         0.104242
BFGS:    4 11:31:41      -33.031614         0.004026
BFGS:    5 11:31:41      -33.031614         0.000011
BFGS:    6 11:31:41      -33.031614         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.161586825049672e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7983830668349787, 3.748797793809811e-33, -1.5002569872582372e-32], [-2.939034173746497e-32, 2.7983830668349787, -2.4272329876170533e-18], [-1.1453381233811849e-32, -2.4272329876170575e-18, 2.7983830668349787]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.16158683e-10 -1.16158683e-10 -1.16158683e-10  3.53862940e-28
 -5.24668362e-34  3.54299293e-50]
energy per atom =  -16.51580689593456
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0