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_KimJeonLee_2015_MgSn__MO_935641703527_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 -6.141594 0.5105 BFGS: 1 18:09:37 -6.151010 0.3515 BFGS: 2 18:09:37 -6.159958 0.0238 BFGS: 3 18:09:37 -6.160002 0.0012 BFGS: 4 18:09:37 -6.160002 0.0000 BFGS: 5 18:09:37 -6.160002 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.2692513910582974e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.850484143088424, -1.4714789782038527e-33, 4.391718060708981e-34], [-2.4014225259150266e-33, 3.8504841430884236, -7.853021095365563e-19], [-6.90573959209766e-34, -7.85302109536607e-19, 3.850484143088424]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.26925139e-11 -3.26925139e-11 -3.26925139e-11 -2.03863033e-27 1.73200262e-34 8.50898819e-51] energy per atom = -3.080001163833082 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0