element(s):
['Al', 'Ni']
AFLOW prototype label:
AB3_cF16_225_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:
['5.6016']
model name:
EAM_Dynamo_Mishin_2004_NiAl__MO_101214310689_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6016, 0, 0], [0, 5.6016, 0], [0, 0, 5.6016]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:16:15      -73.808840         0.045837
BFGS:    1 13:16:15      -73.808928         0.043943
BFGS:    2 13:16:16      -73.809934         0.000283
BFGS:    3 13:16:16      -73.809934         0.000002
BFGS:    4 13:16:17      -73.809934         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.6414544754134633e-31 eV/Angstrom
Maximum stress component: 5.40148813416294e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.34170102e-37]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.27518096e-70 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 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]
 [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]]
cellpar =  Cell([[5.607183497445565, 5.861998053992741e-33, 8.145732558147311e-34], [8.976236967891705e-33, 5.607183497445565, 7.524785914508736e-21], [1.2125100797914489e-34, 7.524785914506721e-21, 5.607183497445565]])
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]
 [ 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]
 [ 7.25785655e-32  7.09980806e-32 -8.92720855e-32]
 [-5.00355641e-32 -5.18354045e-32 -1.64145448e-31]
 [ 1.21489229e-31  3.70767129e-32 -4.02039357e-32]
 [-1.80883964e-32 -8.06328514e-32  2.74925626e-32]
 [ 7.01937769e-32  1.22839110e-31  1.06190586e-32]
 [-9.64714472e-32 -6.33543833e-32  6.91138726e-32]
 [-1.43987235e-31 -1.15189788e-31 -8.63923408e-33]
 [-4.82357236e-32  5.57950534e-32  6.55591878e-32]]
stress =  [-5.40148813e-12 -5.40148813e-12 -5.40148813e-12  7.01316771e-29
  2.61360326e-34 -6.82425435e-51]
energy per atom =  -4.593741372217166
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0