element(s): ['Sn'] 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: ['3.8036'] model name: MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Sn'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.8036, 0, 0], [0, 3.8036, 0], [0, 0, 3.8036]] ========================================= Step Time Energy fmax BFGS: 0 16:11:05 -6.147048 0.400638 BFGS: 1 16:11:05 -6.153248 0.321018 BFGS: 2 16:11:05 -6.163622 0.029375 BFGS: 3 16:11:05 -6.163701 0.001883 BFGS: 4 16:11:05 -6.163702 0.000010 BFGS: 5 16:11:05 -6.163702 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2994585266482355e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.7522853952284017, -6.881574972524568e-34, 5.586144609809579e-34], [-2.833961905941359e-34, 3.752285395228401, 1.610569070639246e-20], [-1.7180870907413876e-34, 1.6105690706344393e-20, 3.7522853952284017]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.29945853e-10 -1.29945853e-10 -1.29945853e-10 2.87479376e-26 2.27980399e-35 -3.38178918e-51] energy per atom = -3.081850791236117 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0