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 15:57:26      -73.808840         0.045837
BFGS:    1 15:57:26      -73.808928         0.043943
BFGS:    2 15:57:26      -73.809934         0.000283
BFGS:    3 15:57:26      -73.809934         0.000002
BFGS:    4 15:57:26      -73.809934         0.000000
Minimization converged after 4 steps.
Maximum force component: 1.4110748999168367e-31 eV/Angstrom
Maximum stress component: 5.401488134162939e-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]
 [4.76667958e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [2.38333979e-52 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, -1.8318692442490767e-34, -2.9924035595558784e-35], [-2.289835970525845e-35, 5.607183497445565, -7.004335904699583e-25], [3.385316705642751e-35, -7.004335904928567e-25, 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]
 [ 1.44437195e-32  1.11809462e-31 -4.60759151e-32]
 [-1.76384362e-32 -5.75948939e-32 -1.41107490e-31]
 [ 4.08563778e-32  1.14739828e-31  5.45351651e-32]
 [-2.74475666e-32 -5.75948939e-32  1.19509405e-31]
 [ 1.54786277e-32  1.05470649e-31  3.31170640e-32]
 [-1.07990426e-31 -6.91138726e-32  8.85521493e-32]
 [-1.33188192e-31 -6.91138726e-32  1.25088910e-32]
 [ 7.55932982e-32  1.02230937e-31 -2.57377182e-32]]
stress =  [-5.40148813e-12 -5.40148813e-12 -5.40148813e-12 -5.33741415e-29
  2.85156155e-63 -2.84202715e-63]
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