element(s):
['Al', 'Ni', 'Ti']
AFLOW prototype label:
AB2C_cF16_225_a_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8906']
model name:
MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8906, 0, 0], [0, 5.8906, 0], [0, 0, 5.8906]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:12:00      -78.491450         0.558628
BFGS:    1 17:12:01      -78.504625         0.541899
BFGS:    2 17:12:01      -78.577931         0.434885
BFGS:    3 17:12:01      -78.634897         0.324000
BFGS:    4 17:12:02      -78.674932         0.209135
BFGS:    5 17:12:02      -78.697433         0.090180
BFGS:    6 17:12:03      -78.702424         0.002796
BFGS:    7 17:12:03      -78.702429         0.000036
BFGS:    8 17:12:03      -78.702429         0.000000
BFGS:    9 17:12:04      -78.702429         0.000000
Minimization converged after 9 steps.
Maximum force component: 7.447556442265741e-31 eV/Angstrom
Maximum stress component: 5.255022628373971e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.89801838e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 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]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [5.89801838e-50 5.00000000e-01 0.00000000e+00]
 [5.89801838e-50 8.30072293e-36 5.00000000e-01]]
cellpar =  Cell([[5.800488587840584, -5.8709371951687036e-33, -5.827246251682055e-33], [1.455447402085663e-33, 5.800488587840584, 4.5243978456237155e-19], [5.7930349739533736e-33, 4.524397845623695e-19, 5.800488587840584]])
forces =  [[ 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]
 [-1.22139926e-31 -2.26405716e-31 -7.14220663e-31]
 [-1.48951129e-33 -5.66014290e-32 -4.90049214e-31]
 [-2.30874250e-32 -1.60867219e-31  1.45972106e-31]
 [-9.53287225e-32  4.46853387e-32  7.44755644e-31]
 [ 1.25118948e-31 -2.62153987e-31  2.56195942e-31]
 [ 1.56398685e-31  8.19231209e-33  7.32839554e-31]
 [ 2.02573535e-31  1.78741355e-32 -2.81517634e-31]
 [ 9.68182337e-32 -2.88965190e-31 -7.00070306e-31]
 [ 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]]
stress =  [-5.25502263e-15 -5.25502263e-15 -5.25502263e-15 -1.12564977e-32
 -2.21333966e-34 -6.39130759e-53]
energy per atom =  -4.918901810694064
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0