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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 15:42:04     -123.345631         0.641858
BFGS:    1 15:42:04     -123.415228         0.273335
BFGS:    2 15:42:04     -123.434447         0.229647
BFGS:    3 15:42:04     -123.436982         0.223669
BFGS:    4 15:42:04     -123.461606         0.150159
BFGS:    5 15:42:04     -123.478268         0.152566
BFGS:    6 15:42:05     -123.487797         0.078290
BFGS:    7 15:42:05     -123.488865         0.021644
BFGS:    8 15:42:05     -123.488973         0.001144
BFGS:    9 15:42:05     -123.488975         0.000079
BFGS:   10 15:42:05     -123.488975         0.000005
BFGS:   11 15:42:05     -123.488975         0.000000
BFGS:   12 15:42:05     -123.488975         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.4480569854225228e-10 eV/Angstrom
Maximum stress component: 2.1814621720488908e-11 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 =  [[2.31073586e-33 4.49358576e-33 2.31090828e-33]
 [4.49378641e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.26534575e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.53069151e-33]
 [6.25477816e-01 6.25477816e-01 6.25477816e-01]
 [3.74522184e-01 3.74522184e-01 6.25477816e-01]
 [3.74522184e-01 6.25477816e-01 3.74522184e-01]
 [6.25477816e-01 3.74522184e-01 3.74522184e-01]
 [6.25477816e-01 1.25477816e-01 1.25477816e-01]
 [3.74522184e-01 8.74522184e-01 1.25477816e-01]
 [3.74522184e-01 1.25477816e-01 8.74522184e-01]
 [6.25477816e-01 8.74522184e-01 8.74522184e-01]
 [1.25477816e-01 6.25477816e-01 1.25477816e-01]
 [8.74522184e-01 3.74522184e-01 1.25477816e-01]
 [8.74522184e-01 6.25477816e-01 8.74522184e-01]
 [1.25477816e-01 3.74522184e-01 8.74522184e-01]
 [1.25477816e-01 1.25477816e-01 6.25477816e-01]
 [8.74522184e-01 8.74522184e-01 6.25477816e-01]
 [8.74522184e-01 1.25477816e-01 3.74522184e-01]
 [1.25477816e-01 8.74522184e-01 3.74522184e-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]]
cellpar =  Cell([[6.631329254482176, 2.4952898449168106e-33, 7.571478036590917e-33], [-1.8705533139032364e-32, 6.631329254482176, -5.4361347015795916e-18], [1.3742943274864788e-32, -5.436134701579604e-18, 6.631329254482176]])
forces =  [[ 2.72458146e-32  2.72458146e-32  2.72458146e-32]
 [ 1.36229073e-32  2.72458146e-32  2.98001097e-32]
 [ 2.72458146e-32  1.36229073e-32  1.19200439e-32]
 [ 1.36229073e-32  1.36229073e-32  1.36229073e-32]
 [-1.44805699e-10 -1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10  1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10 -1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10  1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10 -1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10  1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10 -1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10  1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10 -1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10  1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10 -1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10  1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10 -1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10  1.44805699e-10 -1.44805699e-10]
 [ 1.44805699e-10 -1.44805699e-10  1.44805699e-10]
 [-1.44805699e-10  1.44805699e-10  1.44805699e-10]
 [-5.58539199e-31 -9.80849325e-31 -4.08687219e-31]
 [ 1.90720702e-31  1.49851980e-31 -8.17374437e-32]
 [ 2.17966517e-31 -7.08391179e-31 -4.49555940e-31]
 [ 1.63474887e-31  3.13326868e-31 -2.72458146e-32]]
stress =  [ 2.18146217e-11  2.18146217e-11  2.18146217e-11 -1.79641513e-27
 -3.73730045e-34  1.45722247e-49]
energy per atom =  -5.145373949127242
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0