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_2004NISTretabulation_Mg__MO_894868634445_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 17:59:38 -3.063085 0.0953 BFGS: 1 17:59:38 -3.063429 0.0843 BFGS: 2 17:59:38 -3.064759 0.0012 BFGS: 3 17:59:38 -3.064760 0.0000 BFGS: 4 17:59:38 -3.064760 0.0000 BFGS: 5 17:59:38 -3.064760 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.159902196409916e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5947029160126522, 1.866599358727862e-33, -1.564207762378367e-33], [4.0028322438493274e-33, 3.5947029160126522, -5.895443475946133e-20], [2.4735640773383974e-33, -5.895443475946392e-20, 3.5947029160126522]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.15990220e-15 -6.15990220e-15 -6.15990220e-15 -8.73382823e-32 3.17035378e-63 2.55609197e-63] energy per atom = -1.5323798459893492 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0