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_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_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 13:54:45      -72.637688        0.1568
BFGS:    1 13:54:45      -72.638724        0.1512
BFGS:    2 13:54:45      -72.652095        0.0282
BFGS:    3 13:54:45      -72.652593        0.0009
BFGS:    4 13:54:45      -72.652594        0.0000
BFGS:    5 13:54:46      -72.652594        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.5923374562863937e-31 eV/Angstrom
Maximum stress component: 9.533293086110107e-11 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 4.28058021e-36 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]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [7.60383792e-51 4.28058021e-36 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([[5.624032993261006, 4.0191499685708854e-33, 3.1145018760897e-33], [4.476301106894904e-33, 5.624032993261006, 3.75593594701311e-19], [4.056298957009807e-34, 3.7559359470131434e-19, 5.624032993261006]])
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]
 [ 2.05076278e-31 -3.46607794e-32 -2.59233746e-31]
 [-7.07657579e-32  1.80524892e-32  2.53817999e-31]
 [ 2.28183464e-31  1.31170540e-50  1.96411083e-31]
 [-1.55973507e-31 -1.01093940e-32 -2.57067447e-31]
 [-2.33691875e-65 -1.44419914e-32 -1.64638702e-31]
 [-4.42285987e-32 -1.06509687e-32  5.05469699e-32]
 [-8.08751518e-32  2.81618832e-32 -9.80250166e-32]
 [-6.96826085e-32  5.05469699e-32  1.27811624e-31]]
stress =  [-9.53329309e-11 -9.53329309e-11 -9.53329309e-11 -9.99242074e-27
  4.54644069e-34 -1.12657389e-50]
energy per atom =  -4.540787119307797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0