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_SunMendelevBecker_2006_Mg__MO_848345414202_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 17:59:39 -3.029549 0.0766 BFGS: 1 17:59:39 -3.029779 0.0634 BFGS: 2 17:59:39 -3.030275 0.0006 BFGS: 3 17:59:39 -3.030275 0.0000 BFGS: 4 17:59:39 -3.030275 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.570820197227708e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Mg', 'Mg'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.562045071728004, -2.018093351542639e-33, 1.4402935557211421e-33], [-1.4995892213859731e-32, 3.562045071728004, 3.918130317314047e-23], [-1.0965082589879183e-32, 3.918130318691179e-23, 3.562045071728004]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [5.57082020e-11 5.57082020e-11 5.57082020e-11 7.02523418e-27 8.09543878e-35 8.24000121e-51] energy per atom = -1.5151375328798036 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0