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 18:09:37 -6.147048 0.4006 BFGS: 1 18:09:37 -6.153248 0.3210 BFGS: 2 18:09:37 -6.163622 0.0294 BFGS: 3 18:09:37 -6.163701 0.0019 BFGS: 4 18:09:37 -6.163702 0.0000 BFGS: 5 18:09:37 -6.163702 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2994617578184199e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.7522853952284003, -3.1419173407820134e-33, -8.976683670613473e-34], [1.0842861923660526e-33, 3.7522853952284, -7.505250158160262e-19], [2.1266807643462603e-33, -7.505250158160752e-19, 3.7522853952284003]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.29946176e-10 -1.29946176e-10 -1.29946176e-10 3.88765764e-26 1.82384319e-34 -2.59517318e-50] energy per atom = -3.08185079123612 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0