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 18:07:59 -1.677750 0.0603 BFGS: 1 18:07:59 -1.677904 0.0583 BFGS: 2 18:07:59 -1.679996 0.0023 BFGS: 3 18:07:59 -1.679999 0.0001 BFGS: 4 18:07:59 -1.679999 0.0000 BFGS: 5 18:07:59 -1.679999 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3440848146808297e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Rb', 'Rb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[5.585000358707735, -5.972666307676537e-33, -6.082079420438372e-33], [-2.337661203451306e-32, 5.585000358707735, 1.2592811173785632e-20], [4.263061788842957e-33, 1.2592811173880206e-20, 5.585000358707735]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.34408481e-13 -1.34408481e-13 -1.34408481e-13 -3.65845611e-30 6.43165650e-38 1.83510126e-54] energy per atom = -0.8399997258195941 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0