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 13:58:07      -46.676140        12.318805
BFGS:    1 13:58:08      -47.976585         6.579882
BFGS:    2 13:58:08      -48.819047         4.876533
BFGS:    3 13:58:08      -49.477651         3.978952
BFGS:    4 13:58:08      -50.027614         3.387469
BFGS:    5 13:58:08      -50.501236         2.945427
BFGS:    6 13:58:08      -50.915363         2.586794
BFGS:    7 13:58:08      -51.279769         2.278486
BFGS:    8 13:58:08      -51.600483         2.001879
BFGS:    9 13:58:08      -51.881340         1.745557
BFGS:   10 13:58:09      -52.124786         1.502038
BFGS:   11 13:58:09      -52.332330         1.266138
BFGS:   12 13:58:09      -52.504819         1.034095
BFGS:   13 13:58:09      -52.642608         0.803062
BFGS:   14 13:58:09      -52.745676         0.570801
BFGS:   15 13:58:09      -52.813696         0.335493
BFGS:   16 13:58:09      -52.846095         0.095610
BFGS:   17 13:58:09      -52.848911         0.001575
BFGS:   18 13:58:09      -52.848911         0.000008
BFGS:   19 13:58:09      -52.848911         0.000000
Minimization converged after 19 steps.
Maximum force component: 9.161931623094465e-31 eV/Angstrom
Maximum stress component: 3.328031457224775e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[1.02815939e-33 1.28395330e-34 1.02716264e-33]
 [1.28195752e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.30084236e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.66947454e-34]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.64353447e-34 7.67613484e-34]
 [7.62796674e-34 5.00000000e-01 1.02259661e-33]
 [3.85030488e-34 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([[6.026790808873009, -7.939185475741262e-33, 3.114597453858102e-34], [-1.775619345311026e-32, 6.026790808873009, 1.624397870912574e-17], [2.4264894494750768e-32, 1.624397870912574e-17, 6.026790808873009]])
forces =  [[-2.47619774e-32 -2.47619774e-32 -6.67408320e-50]
 [-2.47619774e-32 -2.47619774e-32 -1.23809887e-32]
 [-2.47619774e-32 -2.47619774e-32 -1.23809887e-32]
 [-2.47619774e-32 -2.47619774e-32 -2.47619774e-32]
 [-2.47619774e-32 -2.47619774e-32 -2.47619774e-32]
 [-2.47619774e-32 -2.47619774e-32 -3.09524717e-32]
 [-2.47619774e-32 -2.47619774e-32 -4.95239547e-32]
 [-2.47619774e-32 -2.47619774e-32 -2.47619774e-32]
 [-9.90479094e-32 -3.59048672e-31  4.20953615e-31]
 [-4.20953615e-31  2.35238785e-31  2.10476808e-31]
 [-2.10476808e-31 -3.46667683e-31 -9.16193162e-31]
 [-2.84762740e-31  3.01786599e-31 -5.94287457e-31]]
stress =  [ 3.32803146e-11  3.32803146e-11  3.32803146e-11 -7.52504114e-28
  1.13116763e-34 -1.92772743e-51]
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