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 18:01:31 -2.209928 0.1511 BFGS: 1 18:01:31 -2.210886 0.1448 BFGS: 2 18:01:31 -2.222006 0.0079 BFGS: 3 18:01:31 -2.222044 0.0008 BFGS: 4 18:01:31 -2.222044 0.0000 BFGS: 5 18:01:31 -2.222044 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.434290882123929e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[4.2278692582572, -9.106942856017767e-33, 7.339061243816643e-33], [3.449194610364975e-33, 4.2278692582572, 2.254924829671924e-17], [-6.302343223402132e-33, 2.2549248296719236e-17, 4.2278692582572]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-8.43429088e-11 -8.43429088e-11 -8.43429088e-11 8.79591571e-27 3.59150217e-36 -2.13180111e-52] energy per atom = -1.1110220005730749 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0