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:
Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_000
==== 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 10:05:02      -46.676140        12.318805
BFGS:    1 10:05:02      -47.976585         6.579882
BFGS:    2 10:05:02      -48.819047         4.876533
BFGS:    3 10:05:02      -49.477651         3.978952
BFGS:    4 10:05:02      -50.027614         3.387469
BFGS:    5 10:05:03      -50.501236         2.945427
BFGS:    6 10:05:03      -50.915363         2.586794
BFGS:    7 10:05:03      -51.279769         2.278486
BFGS:    8 10:05:03      -51.600483         2.001879
BFGS:    9 10:05:03      -51.881340         1.745557
BFGS:   10 10:05:03      -52.124786         1.502038
BFGS:   11 10:05:03      -52.332330         1.266138
BFGS:   12 10:05:03      -52.504819         1.034095
BFGS:   13 10:05:03      -52.642608         0.803062
BFGS:   14 10:05:03      -52.745676         0.570801
BFGS:   15 10:05:03      -52.813696         0.335493
BFGS:   16 10:05:03      -52.846095         0.095610
BFGS:   17 10:05:03      -52.848911         0.001575
BFGS:   18 10:05:03      -52.848911         0.000008
BFGS:   19 10:05:03      -52.848911         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.2814323283652391e-30 eV/Angstrom
Maximum stress component: 3.327986150216616e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[3.85687526e-34 1.79703307e-33 3.84684445e-34]
 [1.79789411e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.04519321e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.41976648e-34 6.41976648e-34]
 [6.45103901e-34 5.00000000e-01 2.04519321e-33]
 [1.79848715e-33 1.02259661e-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([[6.026790808873008, 4.720779849259304e-33, -3.978954985750371e-33], [-1.0833004168133303e-32, 6.026790808873008, 3.226800351153603e-17], [2.1720985035932176e-32, 3.2268003511536e-17, 6.026790808873008]])
forces =  [[ 1.54762358e-33  1.21225217e-66 -1.02175847e-66]
 [ 6.19049434e-33  6.19049434e-33  6.19049434e-33]
 [ 2.23109843e-65  3.31444876e-50  6.19049434e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.74950039e-66 -9.73310145e-34 -5.21119385e-51]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.56362856e-66  3.09524717e-33  1.65722438e-50]
 [ 3.09524717e-33  2.42450434e-66 -2.04351695e-66]
 [-8.41907230e-31  3.46667683e-31 -1.25047986e-30]
 [ 8.91431185e-31 -4.14763121e-31  6.25239928e-31]
 [ 6.77859130e-31  9.90479094e-31 -5.94287457e-31]
 [ 8.41907230e-31 -1.28143233e-30 -7.42859321e-31]]
stress =  [ 3.32798615e-11  3.32798615e-11  3.32798615e-11 -1.23525395e-26
 -1.88741047e-59  1.41064717e-59]
energy per atom =  -4.40407594987638
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0