element(s): ['Ag'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.1492'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 14:44:58 -11.360131 0.448225 BFGS: 1 14:44:58 -11.368305 0.402593 BFGS: 2 14:44:58 -11.399986 0.008664 BFGS: 3 14:44:58 -11.399999 0.000746 BFGS: 4 14:44:58 -11.399999 0.000001 BFGS: 5 14:44:58 -11.399999 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.608831754596771e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [7.35237916e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.0896425927773485, -4.044510516095911e-34, 3.9860926164018654e-33], [1.5308420844055832e-35, 4.0896425927773485, 1.8842779868217352e-19], [-4.0470030468390395e-33, 1.8842779868218163e-19, 4.0896425927773485]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 8.60883175e-12 8.60883175e-12 8.60883175e-12 -1.42484948e-28 -6.90909279e-35 1.30876551e-51] energy per atom = -2.8499996675643797 =============================================== 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 "Face-Centered Cubic" 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.