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_2017_NiAlTi__MO_478967255435_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 12:59:10      -48.963832         1.403626
BFGS:    1 12:59:10      -49.047003         1.361408
BFGS:    2 12:59:10      -49.243093         1.252184
BFGS:    3 12:59:10      -49.422367         1.137141
BFGS:    4 12:59:10      -49.583933         1.016041
BFGS:    5 12:59:10      -49.726864         0.888639
BFGS:    6 12:59:10      -49.850197         0.754682
BFGS:    7 12:59:10      -49.952928         0.613905
BFGS:    8 12:59:10      -50.034013         0.466034
BFGS:    9 12:59:10      -50.092369         0.310787
BFGS:   10 12:59:10      -50.126866         0.147868
BFGS:   11 12:59:10      -50.136538         0.006897
BFGS:   12 12:59:10      -50.136558         0.000143
BFGS:   13 12:59:10      -50.136558         0.000000
BFGS:   14 12:59:10      -50.136558         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.591815808676138e-30 eV/Angstrom
Maximum stress component: 1.2781236178568982e-13 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([[6.191824017206123, 2.6587924516442076e-33, -1.4318645784027489e-33], [8.473845980573339e-34, 6.191824017206123, 1.2690451681751888e-18], [9.099037700635011e-34, 1.269045168175185e-18, 6.191824017206123]])
forces =  [[ 2.54400411e-32  1.27200206e-32  2.54400411e-32]
 [ 2.54400411e-32  5.21406313e-51  2.54400411e-32]
 [ 1.27200206e-32  2.54400411e-32  2.54400411e-32]
 [ 2.54400411e-32  2.60703156e-51  1.27200206e-32]
 [ 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]
 [ 1.72992280e-30  7.63201234e-31 -1.48824241e-30]
 [-2.14014346e-30 -1.74264282e-30 -3.59181581e-30]
 [ 2.22560610e-30  9.66721563e-31  2.54400411e-30]
 [-2.28960370e-30 -9.38101517e-31  2.74752444e-30]]
stress =  [-1.27812362e-13 -1.27812362e-13 -1.27812362e-13  4.20810935e-30
  8.03754208e-35 -1.07380379e-51]
energy per atom =  -4.178046518266744
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0