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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_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      -46.676140        12.318806
BFGS:    1 12:59:08      -47.976585         6.579883
BFGS:    2 12:59:08      -48.819047         4.876533
BFGS:    3 12:59:08      -49.477651         3.978952
BFGS:    4 12:59:09      -50.027614         3.387469
BFGS:    5 12:59:09      -50.501236         2.945427
BFGS:    6 12:59:09      -50.915363         2.586795
BFGS:    7 12:59:09      -51.279769         2.278486
BFGS:    8 12:59:09      -51.600483         2.001879
BFGS:    9 12:59:09      -51.881340         1.745557
BFGS:   10 12:59:09      -52.124786         1.502038
BFGS:   11 12:59:09      -52.332330         1.266138
BFGS:   12 12:59:09      -52.504819         1.034095
BFGS:   13 12:59:09      -52.642608         0.803062
BFGS:   14 12:59:09      -52.745676         0.570801
BFGS:   15 12:59:09      -52.813696         0.335493
BFGS:   16 12:59:09      -52.846095         0.095610
BFGS:   17 12:59:09      -52.848911         0.001575
BFGS:   18 12:59:09      -52.848911         0.000008
BFGS:   19 12:59:09      -52.848911         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.6219095170613157e-30 eV/Angstrom
Maximum stress component: 3.327995344109661e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[6.0267908088730024, -4.0870159859338615e-33, 1.95911290709441e-34], [-8.001772879258287e-33, 6.0267908088730024, -6.34466228255153e-18], [-5.773475733663076e-34, -6.344662282551529e-18, 6.0267908088730024]])
forces =  [[ 4.14662543e-66 -3.09524717e-33 -3.86905896e-34]
 [ 1.23809887e-32  1.23809887e-32  1.23809887e-32]
 [ 9.28574151e-33  1.54762358e-32 -1.62925001e-50]
 [ 6.19049434e-33 -2.44387502e-50  2.32143538e-32]
 [-2.55357892e-32 -2.47619774e-32 -1.23809887e-32]
 [-2.47619774e-32 -2.32143538e-32 -2.32143538e-32]
 [-2.47619774e-32 -2.47619774e-32 -1.23809887e-32]
 [-2.47619774e-32 -2.47619774e-32 -2.47619774e-32]
 [-1.18857491e-30 -1.43619469e-30  1.62190952e-30]
 [-5.50180184e-31  1.02143157e-30 -6.06668445e-31]
 [-8.36490548e-31 -1.28762282e-30 -4.95239547e-32]
 [ 1.48571864e-31  7.30478332e-31 -3.46667683e-31]]
stress =  [ 3.32799534e-11  3.32799534e-11  3.32799534e-11 -8.29364065e-31
 -1.83756930e-61  1.66618788e-60]
energy per atom =  -4.404075949876379
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0