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_Mg__MO_137404467969_005 ==== 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 16:13:41 -3.063085 0.095214 BFGS: 1 16:13:41 -3.063429 0.084340 BFGS: 2 16:13:41 -3.064760 0.000579 BFGS: 3 16:13:41 -3.064760 0.000011 BFGS: 4 16:13:41 -3.064760 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.831172478877741e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.5947106659175727, -3.413617174510037e-33, -1.2402579373034444e-32], [6.87036817105759e-33, 3.5947106659175727, 4.240626169756908e-18], [7.532452931803728e-33, 4.240626169756898e-18, 3.5947106659175727]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 5.83117248e-11 5.83117248e-11 5.83117248e-11 -1.99137739e-26 7.94897870e-35 -2.90148616e-50] energy per atom = -1.5323799548169548 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0