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 16:50:42 -6.075559 1.742596 BFGS: 1 16:50:42 -6.189591 1.314105 BFGS: 2 16:50:42 -6.323061 0.454141 BFGS: 3 16:50:42 -6.338715 0.076408 BFGS: 4 16:50:42 -6.339107 0.007163 BFGS: 5 16:50:42 -6.339111 0.000134 BFGS: 6 16:50:42 -6.339111 0.000000 BFGS: 7 16:50:42 -6.339111 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.533936418693361e-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, 6.538632747722203e-33, 1.2680734476653192e-33], [1.6888417150992504e-32, 2.6348723692439058, 8.312848582977268e-18], [1.0109465289734171e-32, 8.312848582977298e-18, 2.6348723692439058]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.53393642e-12 -1.53393642e-12 -1.53393642e-12 1.10846175e-28 -9.09214685e-60 2.84918112e-60] 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