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_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_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 18:09:36 -6.144538 0.4664 BFGS: 1 18:09:36 -6.152410 0.3223 BFGS: 2 18:09:37 -6.159968 0.0202 BFGS: 3 18:09:37 -6.160000 0.0010 BFGS: 4 18:09:37 -6.160000 0.0000 BFGS: 5 18:09:37 -6.160000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.701109472385226e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Sn', 'Sn'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.846615145195218, 1.8072305808749738e-33, 6.584610978022465e-35], [2.139737343935292e-33, 3.8466151451952175, -5.926428448258499e-20], [-3.964551510301858e-34, -5.92642844826345e-20, 3.846615145195218]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.70110947e-11 -1.70110947e-11 -1.70110947e-11 -1.77190331e-28 -2.68451613e-60 -6.44948815e-61] energy per atom = -3.079999999909035 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0