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_KoKimKwon_2018_Sn__MO_129364204512_001 ==== 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 16:23:28 -6.147048 0.400638 BFGS: 1 16:23:28 -6.153248 0.321018 BFGS: 2 16:23:28 -6.163622 0.029375 BFGS: 3 16:23:28 -6.163701 0.001883 BFGS: 4 16:23:28 -6.163702 0.000010 BFGS: 5 16:23:29 -6.163702 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3013067937477047e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.752285393209047, 3.729956292927338e-38, -1.9392623090572686e-33], [-1.3080935301164865e-37, 3.7522853932090467, 4.838409282349261e-18], [1.8012067744957753e-32, 4.8384092823492006e-18, 3.752285393209047]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.30130679e-10 -1.30130679e-10 -1.30130679e-10 8.66847874e-26 2.35817225e-35 -1.04724475e-50] energy per atom = -3.0818507908815578 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0