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 15:39:58     -123.345631         0.641858
BFGS:    1 15:39:59     -123.415228         0.273335
BFGS:    2 15:40:00     -123.434447         0.229647
BFGS:    3 15:40:00     -123.436982         0.223669
BFGS:    4 15:40:01     -123.461606         0.150159
BFGS:    5 15:40:01     -123.478268         0.152566
BFGS:    6 15:40:02     -123.487797         0.078290
BFGS:    7 15:40:02     -123.488865         0.021644
BFGS:    8 15:40:02     -123.488973         0.001144
BFGS:    9 15:40:02     -123.488975         0.000079
BFGS:   10 15:40:03     -123.488975         0.000005
BFGS:   11 15:40:03     -123.488975         0.000000
BFGS:   12 15:40:04     -123.488975         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.4481534596697322e-10 eV/Angstrom
Maximum stress component: 2.1815146197352028e-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 =  [[0.00000000e+00 5.13581319e-34 0.00000000e+00]
 [5.13382340e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 4.93729203e-34]
 [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([[6.631329254482177, 3.871766115973547e-34, 6.903184587427405e-33], [-3.082363549011311e-33, 6.631329254482177, -2.72820159446016e-18], [-5.5115422833993e-33, -2.7282015944601607e-18, 6.631329254482177]])
forces =  [[ 2.72458146e-32  2.72458146e-32  2.72458146e-32]
 [ 1.36229073e-32  2.72458146e-32  2.72458146e-32]
 [ 2.72458146e-32  1.36229073e-32  1.36229073e-32]
 [ 1.36229073e-32  1.36229073e-32  1.36229073e-32]
 [-1.44815346e-10 -1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10  1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10 -1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10  1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10 -1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10  1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10 -1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10  1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10 -1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10  1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10 -1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10  1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10 -1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10  1.44815346e-10 -1.44815346e-10]
 [ 1.44815346e-10 -1.44815346e-10  1.44815346e-10]
 [-1.44815346e-10  1.44815346e-10  1.44815346e-10]
 [-2.99703960e-31  9.26357696e-31 -5.44916292e-31]
 [ 4.35933033e-31 -1.98894446e-30 -7.62882808e-31]
 [ 1.08983258e-31  5.44916292e-31 -1.06258677e-30]
 [-4.35933033e-31 -9.26357696e-31  3.40572682e-31]]
stress =  [ 2.18151462e-11  2.18151462e-11  2.18151462e-11 -1.66048607e-27
  3.73730045e-34  1.36389969e-50]
energy per atom =  -5.145373949127242
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 
ERROR(@kim_property_modify): input value "AuBe5" doesn't meet the format specification. An integer equal to or greater than 1 or integer indices range of "start:stop".
No parameter sets in this group successfully added a property instance. Skipping this group.