element(s):
['Ag', 'Zr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2465', '3.7809025', '0.66497766']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ag', 'Zr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.66497766]]
spacegroup =  139
cell =  [[3.2465, 0, 0], [0, 3.2465, 0], [0, 0, 12.2747]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:38:58      -32.244171         0.288896
BFGS:    1 14:38:58      -32.248818         0.244577
BFGS:    2 14:38:58      -32.261663         0.062975
BFGS:    3 14:38:58      -32.261814         0.056298
BFGS:    4 14:38:58      -32.262397         0.009884
BFGS:    5 14:38:58      -32.262418         0.007911
BFGS:    6 14:38:58      -32.262421         0.008431
BFGS:    7 14:38:58      -32.262423         0.008633
BFGS:    8 14:38:58      -32.262434         0.009366
BFGS:    9 14:38:58      -32.262459         0.011835
BFGS:   10 14:38:58      -32.262552         0.027507
BFGS:   11 14:38:58      -32.262865         0.073401
BFGS:   12 14:38:58      -32.263140         0.113643
BFGS:   13 14:38:58      -32.263677         0.141489
BFGS:   14 14:38:58      -32.264667         0.153781
BFGS:   15 14:38:58      -32.266428         0.140821
BFGS:   16 14:38:58      -32.269421         0.062108
BFGS:   17 14:38:59      -32.270112         0.004368
BFGS:   18 14:38:59      -32.270119         0.000329
BFGS:   19 14:38:59      -32.270119         0.000019
BFGS:   20 14:38:59      -32.270119         0.000001
BFGS:   21 14:38:59      -32.270119         0.000000
BFGS:   22 14:38:59      -32.270119         0.000000
Minimization converged after 22 steps.
Maximum force component: 1.8272342961007848e-10 eV/Angstrom
Maximum stress component: 2.552014808589666e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ag', 'Ag', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.97119171e-34 1.56049470e-32 6.63001109e-01]
 [0.00000000e+00 4.68148410e-32 3.36998891e-01]
 [5.00000000e-01 5.00000000e-01 1.63001109e-01]
 [5.00000000e-01 5.00000000e-01 8.36998891e-01]]
cellpar =  Cell([[3.159498496193879, 7.987103067127264e-37, -5.827623515705855e-32], [2.203411659445961e-36, 3.1594984961938817, -1.1132386996866716e-16], [3.795338902617089e-33, -4.2774859834565115e-16, 12.87551865053663]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.38617014e-44 -6.07041107e-27  1.82723430e-10]
 [-5.38617014e-44  6.07041107e-27 -1.82723430e-10]
 [ 5.38617014e-44 -6.07041107e-27  1.82723430e-10]
 [-5.38617014e-44  6.07041107e-27 -1.82723430e-10]]
stress =  [ 6.74246310e-13  6.74246310e-13  2.55201481e-12  3.16216783e-27
 -1.51498237e-34 -1.88809922e-49]
energy per atom =  -5.378353240370205
===============================================
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.