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 14:00:10      -18.443198        0.2846
BFGS:    1 14:00:10      -18.446414        0.2428
BFGS:    2 14:00:10      -18.455236        0.0093
BFGS:    3 14:00:10      -18.455250        0.0003
BFGS:    4 14:00:10      -18.455250        0.0000
BFGS:    5 14:00:10      -18.455250        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9139570682359353e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.68588371e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.569956237650133, -3.449486331309802e-33, 1.075623644579679e-32], [-2.8756810047472347e-33, 3.569956237650133, -7.554139814146998e-20], [-6.250451879112953e-33, -7.554139814146365e-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 -5.70418418e-28
 -4.02979945e-35 -5.16361740e-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