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_NicholAckland_2016_Na__MO_048172193005_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 -2.186187 0.2668 BFGS: 1 18:01:31 -2.189156 0.2525 BFGS: 2 18:01:31 -2.214029 0.0858 BFGS: 3 18:01:31 -2.217861 0.0153 BFGS: 4 18:01:31 -2.217999 0.0013 BFGS: 5 18:01:31 -2.218000 0.0000 BFGS: 6 18:01:31 -2.218000 0.0000 BFGS: 7 18:01:31 -2.218000 0.0000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.489761453050492e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[4.290599846832008, -3.1585722536947115e-33, 1.1670834224964787e-32], [1.0986189859502843e-32, 4.290599846832008, 1.2813530845397345e-19], [-1.853998919160974e-32, 1.2813530845401168e-19, 4.290599846832008]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.48976145e-14 -3.48976145e-14 -3.48976145e-14 -2.36966289e-31 2.09235059e-35 -4.23604792e-51] energy per atom = -1.10900002735005 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0