element(s): ['Be'] 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: ['2.512'] model name: EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Be'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.512, 0, 0], [0, 2.512, 0], [0, 0, 2.512]] ========================================= Step Time Energy fmax BFGS: 0 17:45:51 -6.075559 1.7426 BFGS: 1 17:45:51 -6.189591 1.3141 BFGS: 2 17:45:51 -6.323061 0.4541 BFGS: 3 17:45:51 -6.338715 0.0764 BFGS: 4 17:45:51 -6.339107 0.0072 BFGS: 5 17:45:51 -6.339111 0.0001 BFGS: 6 17:45:51 -6.339111 0.0000 BFGS: 7 17:45:51 -6.339111 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.5339364186933615e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Be', 'Be'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.6348723692439058, 7.84504435035942e-34, -6.1124827749505016e-33], [7.120149253232667e-33, 2.6348723692439058, 9.468271607998947e-18], [1.3345176461684307e-32, 9.468271607998973e-18, 2.6348723692439058]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.53393642e-12 -1.53393642e-12 -1.53393642e-12 -4.26565508e-28 -2.95903460e-34 -9.92598112e-50] energy per atom = -17409.3266654716 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0