element(s): ['Ge'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.3628'] model name: SW_DingAndersen_1986_Ge__MO_775478537242_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ge'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.3628, 0, 0], [0, 3.3628, 0], [0, 0, 3.3628]] ========================================= Step Time Energy fmax BFGS: 0 15:24:59 -5.032326 8.439839 BFGS: 1 15:24:59 -5.715206 1.171149 BFGS: 2 15:24:59 -5.732624 0.283122 BFGS: 3 15:24:59 -5.733772 0.016140 BFGS: 4 15:24:59 -5.733776 0.000248 BFGS: 5 15:24:59 -5.733776 0.000000 BFGS: 6 15:24:59 -5.733776 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.527109970881125e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ge', 'Ge'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.464999320990017, 9.06839765256942e-33, -2.862532895168542e-33], [2.8788037470691314e-33, 3.464999320990017, 1.799281551529816e-18], [-9.752018301712181e-33, 1.7992815515298144e-18, 3.464999320990017]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.52710997e-13 -1.52710997e-13 -1.52710997e-13 1.99457276e-29 0.00000000e+00 -1.00296934e-63] energy per atom = -2.866888078925993 =============================================== 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 "Body-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.