element(s): ['Cu'] 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: ['3.6146'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 15:44:35 -14.159978 0.003041 BFGS: 1 15:44:35 -14.159978 0.002709 BFGS: 2 15:44:35 -14.159980 0.000001 BFGS: 3 15:44:35 -14.159980 0.000000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.259120559751212e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.84082380e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.06468644e-40 5.00000000e-01] [5.00000000e-01 5.00000000e-01 4.06468644e-40]] cellpar = Cell([[3.614960123005553, 8.91805563123828e-39, -4.713698299209184e-34], [-2.0335822330316833e-39, 3.614960123005553, 1.58101505063134e-23], [2.1378965968907528e-33, 1.5810150505745135e-23, 3.614960123005553]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-5.25912056e-11 -5.25912056e-11 -5.25912056e-11 1.16776663e-26 -7.36891366e-36 8.18119437e-52] energy per atom = -3.539994982213616 =============================================== 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.