element(s): ['Co'] 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: ['3.5722'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5722, 0, 0], [0, 3.5722, 0], [0, 0, 3.5722]] ========================================= Step Time Energy fmax BFGS: 0 15:44:31 -17.601220 0.236687 BFGS: 1 15:44:31 -17.603472 0.207364 BFGS: 2 15:44:31 -17.610703 0.008198 BFGS: 3 15:44:31 -17.610714 0.000271 BFGS: 4 15:44:31 -17.610714 0.000000 BFGS: 5 15:44:31 -17.610714 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2798620685539967e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Co', 'Co', 'Co'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.548612549504418, 1.738314757220853e-33, 4.89448423013082e-33], [-9.225104255983411e-33, 3.548612549504418, 3.0059360350032923e-21], [-5.311113662607013e-33, 3.0059360350081722e-21, 3.548612549504418]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.27986207e-12 -1.27986207e-12 -1.27986207e-12 3.67111029e-30 8.15684191e-35 -6.35812035e-52] energy per atom = -4.402678564740604 =============================================== 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.