element(s): ['Cs'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['7.7355'] model name: EAM_Dynamo_NicholAckland_2016v2_Cs__MO_144828415103_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cs'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[7.7355, 0, 0], [0, 7.7355, 0], [0, 0, 7.7355]] ========================================= Step Time Energy fmax BFGS: 0 16:53:03 -3.084128 0.0418 BFGS: 1 16:53:03 -3.084203 0.0414 BFGS: 2 16:53:03 -3.088007 0.0095 BFGS: 3 16:53:03 -3.088227 0.0003 BFGS: 4 16:53:03 -3.088227 0.0000 BFGS: 5 16:53:03 -3.088227 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.669858095649696e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cs', 'Cs', 'Cs', 'Cs'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[7.607860911743401, 1.5121364778720458e-32, -2.3128688481089552e-36], [1.4041384574697902e-32, 7.607860911743401, -2.2610900178352055e-19], [1.8614089334814414e-32, -2.261090017835389e-19, 7.607860911743401]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.66985810e-12 2.66985810e-12 2.66985810e-12 1.75433272e-28 -6.93224846e-38 4.63421458e-54] energy per atom = -0.7720568602229501 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0