element(s): ['Na'] 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: ['4.1144'] model name: EAM_Dynamo_Mendelev_2015_Na__MO_094065024556_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Na'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[4.1144, 0, 0], [0, 4.1144, 0], [0, 0, 4.1144]] ========================================= Step Time Energy fmax BFGS: 0 16:02:30 -2.209928 0.151115 BFGS: 1 16:02:30 -2.210886 0.144836 BFGS: 2 16:02:30 -2.222006 0.007882 BFGS: 3 16:02:30 -2.222044 0.000819 BFGS: 4 16:02:30 -2.222044 0.000005 BFGS: 5 16:02:30 -2.222044 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.43428727369503e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[4.227869258257201, -9.835776915007602e-33, 4.180386300120159e-33], [4.420988011450428e-33, 4.227869258257201, 2.2549167437962034e-17], [-5.1765314190073956e-33, 2.254916743796204e-17, 4.227869258257201]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-8.43428727e-11 -8.43428727e-11 -8.43428727e-11 3.20590993e-27 8.97875543e-37 -6.39729319e-54] energy per atom = -1.1110220005730804 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0