element(s): ['Co', 'Fe'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9062'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Fe'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.9062, 0, 0], [0, 2.9062, 0], [0, 0, 2.9062]] ========================================= Step Time Energy fmax BFGS: 0 14:42:14 -8.613105 0.938734 BFGS: 1 14:42:14 -8.646255 0.706816 BFGS: 2 14:42:14 -8.685688 0.088490 BFGS: 3 14:42:15 -8.686232 0.008325 BFGS: 4 14:42:15 -8.686237 0.000094 BFGS: 5 14:42:15 -8.686237 0.000000 BFGS: 6 14:42:15 -8.686237 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0935457293007441e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.833356554753, -3.11825464167483e-32, -3.3981648423560735e-33], [-4.3506057835500235e-32, 2.833356554753, 1.3331454969205514e-18], [-1.9627278355051977e-32, 1.3331454969205792e-18, 2.833356554753]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.09354573e-13 1.09354573e-13 1.09354573e-13 -3.52607984e-30 4.72438409e-61 5.28839092e-61] energy per atom = -4.3431184396796665 =============================================== 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 "CsCl" 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.