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 16:33:15      -75.162519         0.628298
BFGS:    1 16:33:16      -75.179175         0.608865
BFGS:    2 16:33:16      -75.262259         0.498235
BFGS:    3 16:33:16      -75.328440         0.383486
BFGS:    4 16:33:16      -75.377093         0.264503
BFGS:    5 16:33:16      -75.407573         0.141161
BFGS:    6 16:33:16      -75.419217         0.013337
BFGS:    7 16:33:16      -75.419319         0.000263
BFGS:    8 16:33:16      -75.419319         0.000000
BFGS:    9 16:33:16      -75.419319         0.000000
Minimization converged after 9 steps.
Maximum force component: 8.022475402833427e-31 eV/Angstrom
Maximum stress component: 1.1442224172913604e-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 =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.23250261e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [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 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 1.24650052e-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([[6.180278016588269, 2.4938963017468265e-33, -1.5819462921617558e-33], [-1.4517305796304953e-32, 6.180278016588269, 5.0304957177647935e-18], [-5.0693113069336604e-33, 5.0304957177647865e-18, 6.180278016588269]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.62718974e-67  1.61473039e-52  1.98379708e-34]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 8.88741093e-32 -1.65051917e-31  5.28483543e-31]
 [-1.51562097e-31  1.36485239e-31  8.02247540e-31]
 [ 8.88741093e-32  8.88741093e-32 -1.77748219e-31]
 [-1.71400068e-31  1.42833390e-31 -5.52289108e-31]
 [ 2.53256484e-65 -6.34815066e-33 -1.26963013e-32]
 [-6.34815066e-33 -1.03342745e-50 -1.26963013e-32]
 [-6.34815066e-33  3.17407533e-33 -1.26963013e-32]
 [ 2.53256484e-65 -6.34815066e-33 -1.26963013e-32]
 [-3.49148287e-32  1.12233320e-31 -2.03140821e-31]
 [-2.15837123e-31 -4.31674245e-31 -4.18977944e-31]
 [-1.01570411e-31  1.60290804e-31  5.53082627e-31]
 [-1.22201900e-31 -3.55496437e-31  8.57000340e-32]]
stress =  [ 1.14422242e-12  1.14422242e-12  1.14422242e-12  1.01017517e-28
 -2.68920054e-35 -2.01618639e-51]
energy per atom =  -4.713707458044874
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0