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 09:42:31      -46.676140       12.3188
BFGS:    1 09:42:31      -47.976585        6.5799
BFGS:    2 09:42:31      -48.819047        4.8765
BFGS:    3 09:42:31      -49.477651        3.9790
BFGS:    4 09:42:31      -50.027614        3.3875
BFGS:    5 09:42:31      -50.501236        2.9454
BFGS:    6 09:42:31      -50.915363        2.5868
BFGS:    7 09:42:31      -51.279769        2.2785
BFGS:    8 09:42:31      -51.600483        2.0019
BFGS:    9 09:42:31      -51.881340        1.7456
BFGS:   10 09:42:31      -52.124786        1.5020
BFGS:   11 09:42:31      -52.332330        1.2661
BFGS:   12 09:42:31      -52.504819        1.0341
BFGS:   13 09:42:31      -52.642608        0.8031
BFGS:   14 09:42:31      -52.745676        0.5708
BFGS:   15 09:42:31      -52.813696        0.3355
BFGS:   16 09:42:31      -52.846095        0.0956
BFGS:   17 09:42:31      -52.848911        0.0016
BFGS:   18 09:42:31      -52.848911        0.0000
BFGS:   19 09:42:31      -52.848911        0.0000
Minimization converged after 19 steps.
Maximum force component: 1.6482191180060122e-31 eV/Angstrom
Maximum stress component: 3.327946858856183e-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([[6.026790808873001, -5.0010566500695734e-33, 4.501527663539567e-36], [-5.043337101994685e-33, 6.026790808873001, -5.573548774640376e-18], [-1.2633179012691143e-33, -5.573548774640375e-18, 6.026790808873001]])
forces =  [[-1.85714830e-32 -6.19049434e-33 -1.23809887e-32]
 [ 1.23809887e-32 -1.23809887e-32 -6.19049434e-33]
 [ 1.23809887e-32  1.23809887e-32 -6.19049434e-33]
 [-1.23809887e-32 -6.19049434e-33  1.85714830e-32]
 [ 6.19049434e-33  1.23809887e-32 -1.23809887e-32]
 [ 1.23809887e-32  1.23809887e-32  1.23809887e-32]
 [ 1.23809887e-32  1.85714830e-32 -1.85714830e-32]
 [ 1.23809887e-32  6.19049434e-33 -5.72494106e-51]
 [-1.60952853e-31 -2.16667302e-32  9.59526623e-32]
 [ 1.42381370e-31  6.19049434e-32  4.95239547e-32]
 [-1.64821912e-31  8.04764264e-32 -2.24405420e-32]
 [ 9.28574151e-32  4.95239547e-32 -1.09881275e-31]]
stress =  [ 3.32794686e-11  3.32794686e-11  3.32794686e-11 -1.59606444e-27
  2.82791909e-35 -1.22023133e-51]
energy per atom =  -4.404075949876382
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0