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 16:02:30 -2.186187 0.266797 BFGS: 1 16:02:30 -2.189156 0.252460 BFGS: 2 16:02:30 -2.214029 0.085767 BFGS: 3 16:02:30 -2.217861 0.015251 BFGS: 4 16:02:30 -2.217999 0.001346 BFGS: 5 16:02:30 -2.218000 0.000025 BFGS: 6 16:02:30 -2.218000 0.000000 BFGS: 7 16:02:30 -2.218000 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.4872079790595237e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Na', 'Na'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[4.290599846832009, 1.036203870988274e-35, 1.793038782311905e-32], [1.0185363116973306e-32, 4.290599846832009, -3.822758939721501e-19], [-7.519680552735923e-33, -3.8227589397212515e-19, 4.290599846832009]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-3.48720798e-14 -3.48720798e-14 -3.48720798e-14 -7.30458448e-30 -6.97450196e-36 -8.52700702e-52] energy per atom = -1.1090000273500535 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0