element(s):
['Ni', '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:
['3.0337']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.0337, 0, 0], [0, 3.0337, 0], [0, 0, 3.0337]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:34:34      -21.992453        16.959684
BFGS:    1 12:34:34      -23.584825         5.189304
BFGS:    2 12:34:34      -23.802581         1.526598
BFGS:    3 12:34:35      -23.826315         0.215588
BFGS:    4 12:34:35      -23.826828         0.011318
BFGS:    5 12:34:35      -23.826829         0.000091
BFGS:    6 12:34:35      -23.826829         0.000000
BFGS:    7 12:34:35      -23.826829         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.5132008644879836e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1593360914720963, -8.069337589342826e-33, -5.309226692248597e-34], [3.93058167216498e-34, 3.1593360914720963, -2.909315029362265e-18], [1.7766604207380914e-33, -2.9093150293622638e-18, 3.1593360914720963]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.51320086e-15 -6.51320086e-15 -6.51320086e-15  3.13246537e-32
  1.64652200e-33  6.80953607e-50]
energy per atom =  -11.913414604857088
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0