element(s):
['Ni', 'Zr']
AFLOW prototype label:
A5B_cF24_216_ae_c
Parameter names:
['a', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6776', '0.6268355']
model name:
EAM_Dynamo_MendelevKramerHao_2012_NiZr__MO_149104665840_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ni', 'Zr']
representative atom coordinates =  [[0.        0.        0.       ]
 [0.6268355 0.6268355 0.6268355]
 [0.25      0.25      0.25     ]]
spacegroup =  216
cell =  [[6.6776, 0, 0], [0, 6.6776, 0], [0, 0, 6.6776]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:56:15     -120.705971        0.6115
BFGS:    1 16:56:16     -120.739325        0.6062
BFGS:    2 16:56:16     -120.804521        0.5812
BFGS:    3 16:56:16     -120.841094        0.5551
BFGS:    4 16:56:16     -120.902318        0.5076
BFGS:    5 16:56:16     -120.964055        0.4551
BFGS:    6 16:56:16     -121.024502        0.4315
BFGS:    7 16:56:16     -121.081376        0.4046
BFGS:    8 16:56:16     -121.132426        0.3588
BFGS:    9 16:56:16     -121.175515        0.2965
BFGS:   10 16:56:16     -121.208510        0.2177
BFGS:   11 16:56:16     -121.228982        0.1187
BFGS:   12 16:56:16     -121.234045        0.0281
BFGS:   13 16:56:16     -121.234294        0.0133
BFGS:   14 16:56:16     -121.234394        0.0002
BFGS:   15 16:56:16     -121.234394        0.0000
BFGS:   16 16:56:16     -121.234394        0.0000
Minimization converged after 16 steps.
Maximum force component: 4.06292952120159e-09 eV/Angstrom
Maximum stress component: 1.2813366990952297e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.         0.         0.        ]
 [0.         0.5        0.5       ]
 [0.5        0.         0.5       ]
 [0.5        0.5        0.        ]
 [0.62560047 0.62560047 0.62560047]
 [0.37439953 0.37439953 0.62560047]
 [0.37439953 0.62560047 0.37439953]
 [0.62560047 0.37439953 0.37439953]
 [0.62560047 0.12560047 0.12560047]
 [0.37439953 0.87439953 0.12560047]
 [0.37439953 0.12560047 0.87439953]
 [0.62560047 0.87439953 0.87439953]
 [0.12560047 0.62560047 0.12560047]
 [0.87439953 0.37439953 0.12560047]
 [0.87439953 0.62560047 0.87439953]
 [0.12560047 0.37439953 0.87439953]
 [0.12560047 0.12560047 0.62560047]
 [0.87439953 0.87439953 0.62560047]
 [0.87439953 0.12560047 0.37439953]
 [0.12560047 0.87439953 0.37439953]
 [0.25       0.25       0.25      ]
 [0.75       0.75       0.25      ]
 [0.75       0.25       0.75      ]
 [0.25       0.75       0.75      ]]
cellpar =  Cell([[6.81758195852385, 1.7788031964802824e-33, -4.043225674637812e-35], [-7.915874784947363e-33, 6.81758195852385, 2.9356735938912152e-18], [6.556856865522127e-34, 2.935673593891217e-18, 6.81758195852385]])
forces =  [[-1.75069137e-33 -1.75069137e-33 -3.50138273e-33]
 [-1.75069137e-33 -3.50138273e-33 -5.25207410e-33]
 [-3.50138273e-33 -1.75069137e-33  5.25207410e-33]
 [-3.50138273e-33 -2.62603705e-33 -6.12741978e-33]
 [-4.06292952e-09 -4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09  4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09 -4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09  4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09 -4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09  4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09 -4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09  4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09 -4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09  4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09 -4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09  4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09 -4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09  4.06292952e-09 -4.06292952e-09]
 [ 4.06292952e-09 -4.06292952e-09  4.06292952e-09]
 [-4.06292952e-09  4.06292952e-09  4.06292952e-09]
 [-4.93694965e-31  3.64143804e-31  4.48176990e-31]
 [ 3.08121680e-31 -7.87811115e-32 -3.08121680e-31]
 [-5.88232299e-31  1.40055309e-31  3.85152100e-31]
 [ 4.20165928e-32 -1.87323976e-31 -5.18204644e-31]]
stress =  [-1.28133670e-10 -1.28133670e-10 -1.28133670e-10 -6.56940330e-27
  1.32595788e-34  5.43524585e-51]
energy per atom =  -5.051433103586611
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0