element(s): ['Ni'] 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: ['3.5048'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 14:44:58 -17.796018 0.157598 BFGS: 1 14:44:58 -17.797010 0.136264 BFGS: 2 14:44:58 -17.799988 0.002563 BFGS: 3 14:44:58 -17.799990 0.000045 BFGS: 4 14:44:58 -17.799990 0.000000 BFGS: 5 14:44:58 -17.799990 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.061487950010612e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5196185111579266, 1.3842266693815077e-34, -1.423484451089774e-33], [3.6399003443873716e-33, 3.5196185111579266, -1.7691132959088028e-20], [-1.4412757935591927e-34, -1.7691132959089416e-20, 3.5196185111579266]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-9.06148795e-15 -9.06148795e-15 -9.06148795e-15 -1.63637612e-31 -1.55470967e-34 1.27126533e-50] energy per atom = -4.449997376920625 =============================================== 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.