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 13:54:16      -48.963832        1.4036
BFGS:    1 13:54:16      -49.047003        1.3614
BFGS:    2 13:54:16      -49.243093        1.2522
BFGS:    3 13:54:16      -49.422367        1.1371
BFGS:    4 13:54:16      -49.583933        1.0160
BFGS:    5 13:54:16      -49.726864        0.8886
BFGS:    6 13:54:16      -49.850197        0.7547
BFGS:    7 13:54:16      -49.952928        0.6139
BFGS:    8 13:54:17      -50.034013        0.4660
BFGS:    9 13:54:17      -50.092369        0.3108
BFGS:   10 13:54:17      -50.126866        0.1479
BFGS:   11 13:54:17      -50.136538        0.0069
BFGS:   12 13:54:17      -50.136558        0.0001
BFGS:   13 13:54:17      -50.136558        0.0000
BFGS:   14 13:54:17      -50.136558        0.0000
Minimization converged after 14 steps.
Maximum force component: 5.724009256854404e-31 eV/Angstrom
Maximum stress component: 1.2757961002789438e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.24417615e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.29915636e-34 1.29524049e-34]
 [1.28240908e-34 5.00000000e-01 4.97670461e-34]
 [3.90205281e-34 6.22088076e-34 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([[6.191824017206124, -2.521278098399456e-33, -8.27124256113193e-33], [1.3172910583567018e-32, 6.191824017206124, 8.299968203712386e-18], [5.9155858417493756e-33, 8.29996820371237e-18, 6.191824017206124]])
forces =  [[-6.36001029e-33 -6.36001029e-33 -7.15501157e-33]
 [ 6.36001029e-33  6.36001029e-33  6.36001029e-33]
 [ 7.55251221e-33  6.36001029e-33 -6.36001029e-33]
 [-6.36001029e-33 -6.36001029e-33  7.95001286e-33]
 [-6.36001029e-33 -6.36001029e-33 -6.36001029e-33]
 [-6.36001029e-33 -7.85063770e-33 -4.67063255e-33]
 [-6.36001029e-33 -6.36001029e-33 -7.55251221e-33]
 [-6.36001029e-33 -5.56500900e-33  6.36001029e-33]
 [-1.65360267e-31 -7.63201234e-32 -3.30720535e-31]
 [ 4.05649406e-31 -9.54001543e-32 -5.72400926e-31]
 [-3.81600617e-31 -7.63201234e-32  2.41680391e-31]
 [ 7.63201234e-32  2.98920483e-31 -1.65360267e-31]]
stress =  [-1.27579610e-13 -1.27579610e-13 -1.27579610e-13 -9.68276527e-30
  1.00469276e-35  1.13072407e-51]
energy per atom =  -4.178046518266745
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0