element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5446']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5446, 0, 0], [0, 3.5446, 0], [0, 0, 3.5446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:40:56      -18.443198         0.284649
BFGS:    1 16:40:56      -18.446414         0.242778
BFGS:    2 16:40:56      -18.455236         0.009273
BFGS:    3 16:40:56      -18.455250         0.000320
BFGS:    4 16:40:56      -18.455250         0.000000
BFGS:    5 16:40:56      -18.455250         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.913957068235936e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.569956237650133, -2.874011774574836e-33, -9.202293479433416e-35], [9.784222385102842e-33, 3.569956237650133, -7.134616892986869e-20], [5.2423731851742356e-33, -7.134616892987791e-20, 3.569956237650133]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.91395707e-12 -1.91395707e-12 -1.91395707e-12 -3.66465795e-28
 -4.02979945e-35 -1.91688080e-51]
energy per atom =  -4.613812444549787
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0