element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:41:43      -35.090628         0.354637
BFGS:    1 15:41:43      -35.095005         0.337992
BFGS:    2 15:41:43      -35.125531         0.164840
BFGS:    3 15:41:43      -35.132691         0.079656
BFGS:    4 15:41:43      -35.132815         0.068630
BFGS:    5 15:41:43      -35.133016         0.057763
BFGS:    6 15:41:43      -35.133666         0.052159
BFGS:    7 15:41:43      -35.134926         0.070687
BFGS:    8 15:41:43      -35.136964         0.075637
BFGS:    9 15:41:43      -35.138700         0.049126
BFGS:   10 15:41:43      -35.139392         0.018635
BFGS:   11 15:41:43      -35.139495         0.001509
BFGS:   12 15:41:43      -35.139496         0.000051
BFGS:   13 15:41:43      -35.139496         0.000002
BFGS:   14 15:41:43      -35.139496         0.000000
BFGS:   15 15:41:43      -35.139496         0.000000
Minimization converged after 15 steps.
Maximum force component: 6.080001563215343e-31 eV/Angstrom
Maximum stress component: 9.344260791938507e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', '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]
 [9.64145164e-50 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.09323943e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [4.82767237e-35 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.54836486776631, -1.0229433825366708e-37, 1.394576356335022e-32], [2.968827587223173e-37, 3.5483648677663098, -8.923913003576061e-18], [-3.4538308585117666e-33, -1.71254242268819e-17, 7.0466904054843456]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.18684869e-32 -2.18684869e-32  6.08000156e-31]
 [ 2.18684869e-32  2.18684869e-32  8.68571652e-32]
 [ 2.18684869e-32 -3.13332490e-49  1.28928605e-31]
 [ 2.18684869e-32 -4.37369738e-32 -1.01785740e-31]]
stress =  [-2.81681527e-12 -2.81681527e-12 -9.34426079e-12 -2.94015922e-27
 -2.46477342e-34 -8.17075499e-50]
energy per atom =  -4.392436958284604
===============================================
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 "fcc derivative (Y. Lederer)" 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.