element(s):
['Al', 'Ti']
AFLOW prototype label:
AB2_cF12_216_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.4686']
model name:
MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[6.4686, 0, 0], [0, 6.4686, 0], [0, 0, 6.4686]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:59:08      -48.963390         1.403728
BFGS:    1 12:59:08      -49.046573         1.361505
BFGS:    2 12:59:08      -49.242678         1.252276
BFGS:    3 12:59:08      -49.421964         1.137225
BFGS:    4 12:59:08      -49.583542         1.016118
BFGS:    5 12:59:08      -49.726485         0.888709
BFGS:    6 12:59:08      -49.849827         0.754743
BFGS:    7 12:59:08      -49.952566         0.613956
BFGS:    8 12:59:08      -50.033659         0.466075
BFGS:    9 12:59:08      -50.092020         0.310816
BFGS:   10 12:59:08      -50.126521         0.147885
BFGS:   11 12:59:08      -50.136194         0.006899
BFGS:   12 12:59:08      -50.136214         0.000143
BFGS:   13 12:59:09      -50.136214         0.000000
BFGS:   14 12:59:09      -50.136214         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.2084016403184014e-31 eV/Angstrom
Maximum stress component: 1.273639501191911e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[4.24931609e-36 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 4.97670590e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 9.95341180e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 9.95341180e-34]
 [2.60190594e-34 3.98136472e-33 5.00000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.191822408756811, 3.070456479164703e-32, -1.008888413071094e-32], [-2.9590606450527104e-33, 6.191822408756811, 6.95747227779343e-17], [-3.041241909674916e-34, 6.957472277793425e-17, 6.191822408756811]])
forces =  [[-2.54400345e-32 -6.36000863e-33  1.27200173e-32]
 [-1.24954002e-66  2.85858223e-49  2.54400345e-32]
 [-6.36000863e-33  6.36000863e-33  7.14645557e-50]
 [ 6.36000863e-33  2.85858223e-49  2.54400345e-32]
 [-6.36000863e-33  6.36000863e-33 -6.36000863e-33]
 [ 6.36000863e-33 -6.36000863e-33  6.36000863e-33]
 [ 6.36000863e-33 -6.36000863e-33 -6.36000863e-33]
 [-6.36000863e-33  6.36000863e-33  6.36000863e-33]
 [ 2.54400345e-32  7.31400993e-32  5.08800691e-32]
 [-4.61100626e-32  7.63201036e-32 -1.20840164e-31]
 [ 2.06700281e-32  1.94775264e-32  5.08800691e-32]
 [-5.08800691e-32  5.72400777e-32  1.90800259e-32]]
stress =  [-1.27363950e-13 -1.27363950e-13 -1.27363950e-13  4.32129165e-30
  0.00000000e+00 -1.21593341e-62]
energy per atom =  -4.178017868486095
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0