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_WilsonMendelev_2015_NiZr__MO_306032198193_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 16:56:14     -119.099191        0.7059
BFGS:    1 16:56:14     -119.172271        0.6973
BFGS:    2 16:56:14     -119.252627        0.6742
BFGS:    3 16:56:15     -119.287512        0.6532
BFGS:    4 16:56:15     -119.362711        0.6040
BFGS:    5 16:56:15     -119.436973        0.5506
BFGS:    6 16:56:15     -119.509465        0.4934
BFGS:    7 16:56:15     -119.578351        0.4324
BFGS:    8 16:56:15     -119.641716        0.3910
BFGS:    9 16:56:15     -119.697786        0.3474
BFGS:   10 16:56:15     -119.744925        0.2914
BFGS:   11 16:56:15     -119.781566        0.2235
BFGS:   12 16:56:15     -119.806074        0.1421
BFGS:   13 16:56:15     -119.816323        0.0397
BFGS:   14 16:56:15     -119.816661        0.0187
BFGS:   15 16:56:15     -119.816808        0.0024
BFGS:   16 16:56:15     -119.816813        0.0004
BFGS:   17 16:56:15     -119.816813        0.0000
BFGS:   18 16:56:15     -119.816813        0.0000
BFGS:   19 16:56:15     -119.816813        0.0000
Minimization converged after 19 steps.
Maximum force component: 2.7766809507050204e-09 eV/Angstrom
Maximum stress component: 7.214496393043077e-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 =  [[1.02722533e-33 3.85248681e-34 1.02887104e-33]
 [3.85207669e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.01831202e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.76373402e-34]
 [6.25102533e-01 6.25102533e-01 6.25102533e-01]
 [3.74897467e-01 3.74897467e-01 6.25102533e-01]
 [3.74897467e-01 6.25102533e-01 3.74897467e-01]
 [6.25102533e-01 3.74897467e-01 3.74897467e-01]
 [6.25102533e-01 1.25102533e-01 1.25102533e-01]
 [3.74897467e-01 8.74897467e-01 1.25102533e-01]
 [3.74897467e-01 1.25102533e-01 8.74897467e-01]
 [6.25102533e-01 8.74897467e-01 8.74897467e-01]
 [1.25102533e-01 6.25102533e-01 1.25102533e-01]
 [8.74897467e-01 3.74897467e-01 1.25102533e-01]
 [8.74897467e-01 6.25102533e-01 8.74897467e-01]
 [1.25102533e-01 3.74897467e-01 8.74897467e-01]
 [1.25102533e-01 1.25102533e-01 6.25102533e-01]
 [8.74897467e-01 8.74897467e-01 6.25102533e-01]
 [8.74897467e-01 1.25102533e-01 3.74897467e-01]
 [1.25102533e-01 8.74897467e-01 3.74897467e-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([[6.83384629573104, 4.011402802366338e-33, -2.789280805717492e-33], [-4.7752565949704685e-33, 6.83384629573104, 1.012334297676287e-17], [2.0739996245716587e-32, 1.0123342976762843e-17, 6.83384629573104]])
forces =  [[-5.26460369e-33 -5.26460369e-33 -7.01947158e-33]
 [ 1.75486790e-33 -7.01947158e-33 -6.14203763e-33]
 [-7.01947158e-33  1.75486790e-33  1.75486790e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.77668095e-09 -2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09  2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09 -2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09  2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09 -2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09  2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09 -2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09  2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09 -2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09  2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09 -2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09  2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09 -2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09  2.77668095e-09 -2.77668095e-09]
 [ 2.77668095e-09 -2.77668095e-09  2.77668095e-09]
 [-2.77668095e-09  2.77668095e-09  2.77668095e-09]
 [ 5.51028519e-31  7.44063988e-31 -5.61557727e-32]
 [ 9.82726021e-32 -7.51083459e-31 -2.66739920e-31]
 [ 8.14258704e-31  9.82726021e-32 -1.43899167e-31]
 [-6.14203763e-31 -6.77379008e-31  1.40389432e-32]]
stress =  [-7.21449639e-10 -7.21449639e-10 -7.21449639e-10 -5.04405842e-25
 -1.06112800e-58 -4.32329381e-59]
energy per atom =  -4.9923672133891115
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0