element(s):
['Au', 'Cu']
AFLOW prototype label:
AB_tP2_123_a_d
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:
['2.9689', '1.1393782']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.9689, 0, 0], [0, 2.9689, 0], [0, 0, 3.3827]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:44:38       -7.701287         0.514742
BFGS:    1 15:44:38       -7.709869         0.404815
BFGS:    2 15:44:38       -7.722293         0.098182
BFGS:    3 15:44:38       -7.722440         0.089396
BFGS:    4 15:44:38       -7.724634         0.112013
BFGS:    5 15:44:39       -7.728003         0.166436
BFGS:    6 15:44:39       -7.731460         0.163794
BFGS:    7 15:44:39       -7.734444         0.127109
BFGS:    8 15:44:39       -7.735932         0.056083
BFGS:    9 15:44:39       -7.736117         0.029742
BFGS:   10 15:44:39       -7.736200         0.000753
BFGS:   11 15:44:39       -7.736200         0.000226
BFGS:   12 15:44:39       -7.736200         0.000000
BFGS:   13 15:44:39       -7.736200         0.000000
Minimization converged after 13 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.260469241830557e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7869567108281412, 5.101750060545533e-36, -5.24794304556069e-32], [-4.495114325589778e-36, 2.786956710828141, -4.773175595329722e-17], [-4.95869747104115e-33, -5.42071103497945e-17, 3.7146555712043647]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.17136230e-11 -4.17136230e-11 -7.26046924e-11 -2.15038411e-26
  1.48826990e-34  4.40692688e-50]
energy per atom =  -3.868099974093183
===============================================
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 "CuAu" 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.