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_KimKimJung_2016_AlTi__MO_618133763375_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 09:42:30      -16.239721        0.1921
BFGS:    1 09:42:30      -16.241188        0.1644
BFGS:    2 09:42:30      -16.245280        0.0045
BFGS:    3 09:42:30      -16.245283        0.0001
BFGS:    4 09:42:30      -16.245283        0.0000
BFGS:    5 09:42:30      -16.245283        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.704191760226895e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Ti']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.10621300e-16 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.10621300e-16]
 [7.53231605e-65 1.10621300e-16 1.10621300e-16]]
cellpar =  Cell([[4.03406025139844, -1.6295841915123894e-32, 2.368058736569391e-32], [1.629584219564937e-32, 4.03406025139844, 2.546202550439224e-21], [3.885975738832928e-33, 2.5462025504473694e-21, 4.03406025139844]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.70419176e-14 -7.70419176e-14 -7.70419176e-14 -1.71067421e-29
  1.26236356e-34  1.40150507e-50]
energy per atom =  -4.061320859474891
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0