element(s): ['Pt'] 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: ['3.949'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 14:46:38 -23.054814 0.562364 BFGS: 1 14:46:38 -23.066597 0.414573 BFGS: 2 14:46:38 -23.079940 0.025912 BFGS: 3 14:46:38 -23.079989 0.000980 BFGS: 4 14:46:38 -23.079989 0.000002 BFGS: 5 14:46:38 -23.079989 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.051284656590735e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.09090176e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 3.59837750e-38 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.39621417e-38]] cellpar = Cell([[3.920081260313801, -4.2472701473270055e-34, -4.652616195659038e-34], [-5.2068417030625525e-34, 3.920081260313801, 7.361315602710795e-22], [4.892350072400665e-34, 7.361315602707993e-22, 3.920081260313801]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.05128466e-11 -1.05128466e-11 -1.05128466e-11 -6.54696593e-29 -1.67104861e-35 -6.43329192e-53] energy per atom = -5.7699973725614875 =============================================== 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.