element(s): ['Cs'] 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: ['6.1325'] 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 = 229 cell = [[6.1325, 0, 0], [0, 6.1325, 0], [0, 0, 6.1325]] ========================================= Step Time Energy fmax BFGS: 0 17:48:02 -1.575971 0.0069 BFGS: 1 17:48:02 -1.575973 0.0067 BFGS: 2 17:48:02 -1.576000 0.0000 BFGS: 3 17:48:02 -1.576000 0.0000 BFGS: 4 17:48:02 -1.576000 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.101424112289532e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cs', 'Cs'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[6.1409999028425055, 5.352451657782671e-33, -5.112588631243638e-37], [9.037216808635146e-38, 6.1409999028425055, -1.621440696913472e-20], [1.1878896999736082e-36, -1.621440696913472e-20, 6.1409999028425055]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.10142411e-14 -2.10142411e-14 -2.10142411e-14 -1.39790597e-33 4.25579851e-37 2.33384678e-56] energy per atom = -0.788000088994584 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0