element(s):
['Al', 'Ni', 'Ti']
AFLOW prototype label:
ABC2_cF16_216_a_c_bd
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.284']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ti', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]
 [0.75 0.75 0.75]]
spacegroup =  216
cell =  [[6.284, 0, 0], [0, 6.284, 0], [0, 0, 6.284]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:08:16      -75.162519        0.6283
BFGS:    1 11:08:16      -75.179175        0.6089
BFGS:    2 11:08:16      -75.262259        0.4982
BFGS:    3 11:08:16      -75.328440        0.3835
BFGS:    4 11:08:16      -75.377093        0.2645
BFGS:    5 11:08:16      -75.407573        0.1412
BFGS:    6 11:08:16      -75.419217        0.0133
BFGS:    7 11:08:16      -75.419319        0.0003
BFGS:    8 11:08:16      -75.419319        0.0000
BFGS:    9 11:08:16      -75.419319        0.0000
Minimization converged after 9 steps.
Maximum force component: 6.856002718148448e-31 eV/Angstrom
Maximum stress component: 1.1436677625018246e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[4.87715152e-37 2.56787721e-34 0.00000000e+00]
 [2.57332516e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.49300105e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.49300105e-34]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 1.46936794e-39]
 [2.12172988e-36 5.00000000e-01 2.49300105e-34]
 [2.55982129e-34 4.36275183e-34 5.00000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[6.180278016588268, 1.1801159800752764e-32, -7.661802520025205e-34], [-9.19886946181422e-33, 6.180278016588268, 5.023324167187117e-18], [-5.714028331476385e-33, 5.023324167187111e-18, 6.180278016588268]])
forces =  [[ 1.26963013e-32  6.34815066e-33  1.26963013e-32]
 [ 3.17407533e-33 -3.17407533e-33  3.17407533e-33]
 [ 6.34815066e-33 -3.17407533e-33  2.53926027e-32]
 [-1.76077092e-65  1.54793127e-50  1.90444520e-32]
 [-6.34815066e-33 -4.31674245e-31 -1.14266712e-31]
 [-5.55463183e-32  3.84063115e-31 -1.61877842e-31]
 [ 4.76111300e-33 -4.44370547e-31  1.01570411e-31]
 [-1.90444520e-32  3.30103835e-31  2.22185273e-31]
 [ 6.34815066e-33  3.17407533e-33  6.34815066e-33]
 [-6.34815066e-33  6.34815066e-33 -6.34815066e-33]
 [-9.52222600e-33  9.52222600e-33  6.34815066e-33]
 [ 9.52222600e-33  6.34815066e-33  3.17407533e-33]
 [-8.37162369e-32  6.09422464e-31 -2.53926027e-32]
 [-1.26963013e-32 -6.60207669e-31  1.90444520e-31]
 [ 6.34815066e-32  3.61844588e-31 -1.93221836e-31]
 [ 1.09183232e-31 -6.85600272e-31 -2.84873261e-31]]
stress =  [ 1.14366776e-12  1.14366776e-12  1.14366776e-12  2.58534930e-28
  5.37840108e-35 -4.57280295e-51]
energy per atom =  -4.7137074580448735
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0