element(s): ['Mg'] 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: ['3.5733'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Mg'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.5733, 0, 0], [0, 3.5733, 0], [0, 0, 3.5733]] ========================================= Step Time Energy fmax BFGS: 0 17:00:42 -3.063087 0.095250 BFGS: 1 17:00:42 -3.063453 0.084118 BFGS: 2 17:00:42 -3.064776 0.002460 BFGS: 3 17:00:42 -3.064777 0.000067 BFGS: 4 17:00:42 -3.064777 0.000000 BFGS: 5 17:00:42 -3.064777 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.6448217306821335e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.594672071645138, 8.775363523306903e-33, -1.2682410195550425e-33], [1.3156770091879736e-32, 3.594672071645138, 4.0859196654867874e-18], [-3.9879517477975026e-33, 4.085919665486787e-18, 3.594672071645138]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.64482173e-14 -5.64482173e-14 -5.64482173e-14 3.67921680e-30 -5.55787067e-62 3.63628379e-62] energy per atom = -1.5323884304145974 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0