element(s): ['Rb'] 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: ['5.6544'] model name: EAM_Dynamo_NicholAckland_2016v2_Rb__MO_874930365376_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Rb'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[5.6544, 0, 0], [0, 5.6544, 0], [0, 0, 5.6544]] ========================================= Step Time Energy fmax BFGS: 0 16:08:56 -1.677750 0.060341 BFGS: 1 16:08:56 -1.677904 0.058298 BFGS: 2 16:08:56 -1.679996 0.002331 BFGS: 3 16:08:56 -1.679999 0.000084 BFGS: 4 16:08:56 -1.679999 0.000000 BFGS: 5 16:08:56 -1.679999 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3441614892536316e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Rb', 'Rb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[5.585000358707734, 2.605818922656908e-32, 1.4623102910087568e-32], [2.501481619618089e-32, 5.585000358707734, -2.733456501988307e-19], [2.491447391062458e-32, -2.7334565019874514e-19, 5.585000358707734]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.34416149e-13 -1.34416149e-13 -1.34416149e-13 8.29003829e-31 -1.28633130e-37 2.64644633e-53] energy per atom = -0.8399997258195944 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0