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 14:09:53      -78.491450        0.5586
BFGS:    1 14:09:53      -78.504625        0.5419
BFGS:    2 14:09:53      -78.577931        0.4349
BFGS:    3 14:09:53      -78.634897        0.3240
BFGS:    4 14:09:53      -78.674932        0.2091
BFGS:    5 14:09:53      -78.697433        0.0902
BFGS:    6 14:09:53      -78.702424        0.0028
BFGS:    7 14:09:53      -78.702429        0.0000
BFGS:    8 14:09:53      -78.702429        0.0000
BFGS:    9 14:09:53      -78.702429        0.0000
Minimization converged after 9 steps.
Maximum force component: 1.9363646749890928e-32 eV/Angstrom
Maximum stress component: 4.804907777730301e-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]
 [2.35920735e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.64057834e-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]
 [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 3.52975349e-68 0.00000000e+00]
 [1.76940551e-49 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.800488587840585, -1.5604962000560502e-32, -8.355565792359253e-33], [3.576719080765528e-33, 5.800488587840585, 1.7356926966460517e-18], [-2.1774869574458525e-32, 1.735692696646067e-18, 5.800488587840585]])
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]
 [-5.95804515e-33 -3.35140040e-33  1.41503572e-32]
 [-1.48951129e-33  8.93706773e-33  1.30332238e-32]
 [-2.97902258e-33 -8.75087882e-33 -1.93636467e-32]
 [-2.04807802e-33  4.84091169e-33 -1.93636467e-32]
 [ 1.48951129e-33 -4.46853387e-33 -1.60122464e-32]
 [-3.35140040e-33  1.52674907e-32 -7.44755644e-34]
 [-2.97902258e-33  1.30332238e-32  1.73155687e-32]
 [ 3.72377822e-33  2.42045584e-33  1.48951129e-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]]
stress =  [-4.80490778e-15 -4.80490778e-15 -4.80490778e-15  7.45929107e-31
 -2.36598378e-34 -4.73282782e-50]
energy per atom =  -4.9189018106940665
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0