element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1188', '0.88215988', '0.83576263']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols = ['Al', 'Co']
representative atom coordinates = [[0.33333333 0.66666667 0.25 ]
[0.83576263 0.67152526 0.25 ]]
spacegroup = 194
cell = [[5.1188, 0, 0], [-2.5594, 4.4330108368918, 0], [0, 0, 4.5156]]
=========================================
Step Time Energy fmax
BFGS: 0 15:41:43 -33.192131 0.913292
BFGS: 1 15:41:44 -33.206024 0.904087
BFGS: 2 15:41:44 -33.253970 0.864178
BFGS: 3 15:41:44 -33.295689 0.813988
BFGS: 4 15:41:44 -33.332569 0.759077
BFGS: 5 15:41:44 -33.365566 0.697987
BFGS: 6 15:41:44 -33.395270 0.629242
BFGS: 7 15:41:44 -33.422012 0.551484
BFGS: 8 15:41:44 -33.445958 0.463670
BFGS: 9 15:41:44 -33.467192 0.365252
BFGS: 10 15:41:44 -33.485795 0.317695
BFGS: 11 15:41:44 -33.501928 0.338790
BFGS: 12 15:41:44 -33.515939 0.350541
BFGS: 13 15:41:44 -33.528556 0.345336
BFGS: 14 15:41:44 -33.539836 0.306565
BFGS: 15 15:41:44 -33.548315 0.242044
BFGS: 16 15:41:44 -33.554866 0.159964
BFGS: 17 15:41:44 -33.558462 0.149275
BFGS: 18 15:41:44 -33.563174 0.124068
BFGS: 19 15:41:44 -33.567665 0.089735
BFGS: 20 15:41:44 -33.570233 0.055547
BFGS: 21 15:41:44 -33.570735 0.013234
BFGS: 22 15:41:44 -33.570767 0.001745
BFGS: 23 15:41:44 -33.570768 0.000184
BFGS: 24 15:41:44 -33.570768 0.000016
BFGS: 25 15:41:45 -33.570768 0.000003
BFGS: 26 15:41:45 -33.570768 0.000000
BFGS: 27 15:41:45 -33.570768 0.000000
BFGS: 28 15:41:45 -33.570768 0.000000
Minimization converged after 28 steps.
Maximum force component: 5.184174919256937e-10 eV/Angstrom
Maximum stress component: 5.384739112326881e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co']
basis = [[0.33333333 0.66666667 0.25 ]
[0.66666666 0.33333334 0.75 ]
[0.83848808 0.67697616 0.25 ]
[0.32302384 0.16151192 0.25 ]
[0.83848808 0.16151192 0.25 ]
[0.16151192 0.32302384 0.75 ]
[0.67697616 0.83848808 0.75 ]
[0.16151192 0.83848808 0.75 ]]
cellpar = Cell([[5.2343517068839835, 8.715175832492339e-18, 6.375718407381781e-38], [-2.6171758534419918, 4.5330815505039705, 1.8059201171823264e-37], [-3.636429647487058e-37, -5.5225191904708e-36, 4.139474834111846]])
forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00]
[ 3.73520467e-70 5.67252537e-69 -4.25191389e-33]
[-5.01656242e-27 5.18417492e-10 -8.50382777e-33]
[-4.48962718e-10 -2.59208746e-10 1.70076555e-32]
[ 4.48962718e-10 -2.59208746e-10 -2.12595694e-32]
[-2.88096427e-26 -5.18417492e-10 2.55114833e-32]
[ 4.48962718e-10 2.59208746e-10 -1.70076555e-32]
[-4.48962718e-10 2.59208746e-10 1.70076555e-32]]
stress = [ 2.07377367e-11 2.07377367e-11 5.38473911e-11 8.75831211e-34
-2.43721025e-47 3.52584014e-27]
energy per atom = -4.1963460182053565
===============================================
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 "Ni3Sn" 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.