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_001
==== 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 10:05:33      -48.963390         1.403728
BFGS:    1 10:05:33      -49.046573         1.361505
BFGS:    2 10:05:33      -49.242678         1.252276
BFGS:    3 10:05:33      -49.421964         1.137225
BFGS:    4 10:05:33      -49.583542         1.016118
BFGS:    5 10:05:33      -49.726485         0.888709
BFGS:    6 10:05:33      -49.849827         0.754743
BFGS:    7 10:05:33      -49.952566         0.613956
BFGS:    8 10:05:33      -50.033659         0.466075
BFGS:    9 10:05:33      -50.092020         0.310816
BFGS:   10 10:05:33      -50.126521         0.147885
BFGS:   11 10:05:33      -50.136194         0.006899
BFGS:   12 10:05:33      -50.136214         0.000143
BFGS:   13 10:05:33      -50.136214         0.000000
BFGS:   14 10:05:33      -50.136214         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.614408978584932e-31 eV/Angstrom
Maximum stress component: 1.2787746980282321e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 4.9767059e-34 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]
 [5.0000000e-01 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 0.0000000e+00]
 [0.0000000e+00 0.0000000e+00 5.0000000e-01]
 [2.5000000e-01 2.5000000e-01 2.5000000e-01]
 [7.5000000e-01 7.5000000e-01 2.5000000e-01]
 [7.5000000e-01 2.5000000e-01 7.5000000e-01]
 [2.5000000e-01 7.5000000e-01 7.5000000e-01]]
cellpar =  Cell([[6.191822408756809, -5.0514577527583986e-33, 5.813218609963717e-34], [-6.211981811657639e-33, 6.191822408756809, -3.521537615992382e-17], [-1.9267795225565823e-32, -3.52153761599238e-17, 6.191822408756809]])
forces =  [[-4.77000647e-33  6.36000863e-33  7.95001079e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.36000863e-33  6.36000863e-33  1.59000216e-33]
 [ 6.36000863e-33 -6.36000863e-33 -3.18000432e-33]
 [-7.97589452e-67  7.95001079e-34 -4.52148983e-51]
 [ 1.59000216e-33 -1.29716717e-66  1.49278024e-67]
 [ 1.59000216e-33 -1.29716717e-66  1.49278024e-67]
 [ 3.18000432e-33 -4.52148983e-51  7.95001079e-34]
 [ 1.52640207e-31 -1.27200173e-32 -5.91480803e-31]
 [ 6.47925880e-32 -8.90401209e-32  6.61440898e-31]
 [-1.53037708e-32 -1.39920190e-31  2.35320319e-31]
 [ 5.08800691e-32 -2.73480371e-31  2.03520276e-31]]
stress =  [-1.27877470e-13 -1.27877470e-13 -1.27877470e-13  3.32867970e-29
 -2.59259742e-62  4.10914463e-62]
energy per atom =  -4.178017868486094
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0