element(s):
['Mo', 'Ni']
AFLOW prototype label:
AB4_tI10_87_a_h
Parameter names:
['a', 'c/a', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6931', '0.62094465', '0.40159241', '0.80168077']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Ni']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.40159241 0.80168077 0.        ]]
spacegroup =  87
cell =  [[5.6931, 0, 0], [0, 5.6931, 0], [0, 0, 3.5351]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:42:12      -47.724346         0.312579
BFGS:    1 14:42:12      -47.736215         0.252340
BFGS:    2 14:42:12      -47.762474         0.124156
BFGS:    3 14:42:12      -47.764149         0.112314
BFGS:    4 14:42:12      -47.770491         0.052975
BFGS:    5 14:42:12      -47.770642         0.048737
BFGS:    6 14:42:12      -47.771068         0.032031
BFGS:    7 14:42:12      -47.771388         0.021462
BFGS:    8 14:42:13      -47.771544         0.008626
BFGS:    9 14:42:13      -47.771565         0.002887
BFGS:   10 14:42:13      -47.771567         0.003141
BFGS:   11 14:42:13      -47.771567         0.003425
BFGS:   12 14:42:13      -47.771569         0.004332
BFGS:   13 14:42:13      -47.771572         0.005691
BFGS:   14 14:42:13      -47.771585         0.008812
BFGS:   15 14:42:13      -47.771630         0.017613
BFGS:   16 14:42:13      -47.771798         0.049284
BFGS:   17 14:42:13      -47.771928         0.076756
BFGS:   18 14:42:13      -47.772340         0.091180
BFGS:   19 14:42:13      -47.772964         0.105012
BFGS:   20 14:42:13      -47.773767         0.113349
BFGS:   21 14:42:13      -47.774920         0.114475
BFGS:   22 14:42:13      -47.776593         0.106991
BFGS:   23 14:42:13      -47.778912         0.088919
BFGS:   24 14:42:13      -47.781744         0.056809
BFGS:   25 14:42:13      -47.783799         0.010315
BFGS:   26 14:42:13      -47.783858         0.001798
BFGS:   27 14:42:13      -47.783860         0.000308
BFGS:   28 14:42:13      -47.783860         0.000027
BFGS:   29 14:42:13      -47.783860         0.000001
BFGS:   30 14:42:13      -47.783860         0.000000
BFGS:   31 14:42:13      -47.783860         0.000000
Minimization converged after 31 steps.
Maximum force component: 1.906311771480112e-10 eV/Angstrom
Maximum stress component: 2.4960057917110035e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [4.12212113e-01 8.02070260e-01 1.03255133e-33]
 [5.87787887e-01 1.97929740e-01 5.16275667e-35]
 [1.97929740e-01 4.12212113e-01 6.19530800e-34]
 [8.02070260e-01 5.87787887e-01 2.06510267e-34]
 [9.12212113e-01 3.02070260e-01 5.00000000e-01]
 [8.77878867e-02 6.97929740e-01 5.00000000e-01]
 [6.97929740e-01 9.12212113e-01 5.00000000e-01]
 [3.02070260e-01 8.77878867e-02 5.00000000e-01]]
cellpar =  Cell([[5.593449767131906, 2.67544430235914e-18, -1.909999606416106e-31], [-2.675444302359142e-18, 5.593449767131909, -6.851575458421655e-18], [-7.055003269831917e-32, -4.6499758072438455e-18, 3.730429434376519]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.90631177e-10  1.34351762e-10 -1.64571289e-28]
 [-1.90631177e-10 -1.34351762e-10  1.64617270e-28]
 [-1.34351762e-10  1.90631177e-10 -2.33417580e-28]
 [ 1.34351762e-10 -1.90631177e-10  2.33555523e-28]
 [ 1.90631177e-10  1.34351762e-10 -1.64571289e-28]
 [-1.90631177e-10 -1.34351762e-10  1.64617270e-28]
 [-1.34351762e-10  1.90631177e-10 -2.33417580e-28]
 [ 1.34351762e-10 -1.90631177e-10  2.33555523e-28]]
stress =  [-2.49600579e-11 -2.49600579e-11 -1.73539832e-11 -3.33505928e-28
 -1.47680073e-34 -1.93362767e-45]
energy per atom =  -4.778386011075871
===============================================
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 "Ni4Mo" 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.