element(s): ['Ag'] AFLOW prototype label: A_hP2_194_c 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: ['2.933', '1.6373338'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.933, 0, 0], [-1.4665, 2.5400525092998, 0], [0, 0, 4.8023]] ========================================= Step Time Energy fmax BFGS: 0 15:47:34 -5.681224 0.437878 BFGS: 1 15:47:34 -5.687537 0.353651 BFGS: 2 15:47:34 -5.697483 0.101444 BFGS: 3 15:47:34 -5.697647 0.066191 BFGS: 4 15:47:34 -5.697777 0.043912 BFGS: 5 15:47:34 -5.698038 0.029680 BFGS: 6 15:47:34 -5.698110 0.012056 BFGS: 7 15:47:34 -5.698120 0.002630 BFGS: 8 15:47:34 -5.698121 0.000266 BFGS: 9 15:47:34 -5.698121 0.000007 BFGS: 10 15:47:34 -5.698121 0.000000 BFGS: 11 15:47:34 -5.698121 0.000000 Minimization converged after 11 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.523234891971809e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.8832535489907274, 2.9813205532601918e-18, -4.083645096513866e-37], [-1.4416267744953637, 2.4969708189776108, -8.145271157998682e-37], [-2.5139615260945926e-37, -6.362676699912149e-37, 4.78183992624515]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.09937647e-11 -9.09937647e-11 -1.52323489e-10 4.73144071e-34 -3.72504350e-34 -2.86175873e-26] energy per atom = -2.849060256090478 =============================================== 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 "Hexagonal Close Packed" 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.