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 15:51:25 -1.575971 0.006945 BFGS: 1 15:51:25 -1.575973 0.006695 BFGS: 2 15:51:25 -1.576000 0.000030 BFGS: 3 15:51:25 -1.576000 0.000000 BFGS: 4 15:51:25 -1.576000 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.1014241122895315e-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, 5.352288316549869e-33, 6.797265317341959e-37], [9.037403739713236e-38, 6.1409999028425055, -1.6214401827996843e-20], [3.2276770906230383e-37, -1.6214401827996843e-20, 6.1409999028425055]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-2.10142411e-14 -2.10142411e-14 -2.10142411e-14 1.85379764e-33 4.25579851e-37 -1.57315348e-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