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 13:54:20      -48.963390        1.4037
BFGS:    1 13:54:20      -49.046573        1.3615
BFGS:    2 13:54:20      -49.242678        1.2523
BFGS:    3 13:54:20      -49.421964        1.1372
BFGS:    4 13:54:20      -49.583542        1.0161
BFGS:    5 13:54:20      -49.726485        0.8887
BFGS:    6 13:54:20      -49.849827        0.7547
BFGS:    7 13:54:20      -49.952566        0.6140
BFGS:    8 13:54:20      -50.033659        0.4661
BFGS:    9 13:54:20      -50.092020        0.3108
BFGS:   10 13:54:20      -50.126521        0.1479
BFGS:   11 13:54:20      -50.136194        0.0069
BFGS:   12 13:54:20      -50.136214        0.0001
BFGS:   13 13:54:20      -50.136214        0.0000
BFGS:   14 13:54:20      -50.136214        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.3549045540418774e-31 eV/Angstrom
Maximum stress component: 1.2728413163770363e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 6.41976648e-34 0.00000000e+00]
 [6.41944624e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.48835295e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.13465160e-38 3.13465160e-38]
 [1.00353083e-36 5.00000000e-01 0.00000000e+00]
 [3.86063477e-34 0.00000000e+00 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, 8.146932755809722e-32, -9.411110757970658e-33], [2.418566988826556e-34, 6.191822408756811, -1.5178697830513236e-17], [1.4543025076546247e-32, -1.5178697830513242e-17, 6.191822408756811]])
forces =  [[ 2.48426165e-67  6.36000863e-33 -1.55909913e-50]
 [ 6.36000863e-33 -1.55909913e-50  6.36000863e-33]
 [ 6.36000863e-33  8.36822493e-65 -9.66674134e-66]
 [ 1.51864782e-65  6.36000863e-33  6.36000863e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 6.36000863e-33  8.26801122e-32  3.35490455e-31]
 [-1.25610171e-31 -5.80350788e-32 -9.22201252e-32]
 [ 7.63201036e-32  1.08120147e-31 -3.05280414e-31]
 [-1.52640207e-31 -1.04940142e-31 -1.65360224e-31]]
stress =  [-1.27284132e-13 -1.27284132e-13 -1.27284132e-13  1.49497420e-30
 -1.00554929e-61 -1.88595658e-63]
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