element(s):
['Al', 'Ti']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0145']
model name:
MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[4.0145, 0, 0], [0, 4.0145, 0], [0, 0, 4.0145]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:44:16      -16.180408        0.4456
BFGS:    1 09:44:16      -16.188625        0.4149
BFGS:    2 09:44:16      -16.231352        0.1550
BFGS:    3 09:44:16      -16.238045        0.0077
BFGS:    4 09:44:16      -16.238061        0.0003
BFGS:    5 09:44:16      -16.238061        0.0000
BFGS:    6 09:44:16      -16.238061        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.904937726241868e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ti']
basis =  [[4.35329777e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.10621300e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.10621300e-16]
 [1.35327680e-64 1.10621300e-16 1.10621300e-16]]
cellpar =  Cell([[3.9293645962525976, 1.8705664216792303e-32, 1.8941324022204985e-33], [-3.129458083932933e-33, 3.9293645962525976, 1.414024183595587e-17], [3.806077022527546e-32, 1.4140241835955835e-17, 3.9293645962525976]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.90493773e-12 -2.90493773e-12 -2.90493773e-12  6.38467674e-28
 -4.98948615e-35 -2.50361103e-51]
energy per atom =  -4.059515134429033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0