element(s): ['Tb'] 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: ['4.0132'] model name: EAM_Dynamo_Mendelev_2018_Tb__MO_522239651961_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Tb'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[4.0132, 0, 0], [0, 4.0132, 0], [0, 0, 4.0132]] ========================================= Step Time Energy fmax BFGS: 0 16:24:24 -8.296046 0.789546 BFGS: 1 16:24:24 -8.321641 0.701664 BFGS: 2 16:24:24 -8.233711 3.174614 BFGS: 3 16:24:24 -8.338402 0.510479 BFGS: 4 16:24:24 -8.345501 0.312376 BFGS: 5 16:24:24 -8.348021 0.161042 BFGS: 6 16:24:24 -8.348622 0.024926 BFGS: 7 16:24:24 -8.348638 0.001587 BFGS: 8 16:24:24 -8.348638 0.000017 BFGS: 9 16:24:24 -8.348638 0.000000 BFGS: 10 16:24:24 -8.348638 0.000000 Minimization converged after 10 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.75604967969906e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Tb', 'Tb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.948307183738496, 1.7634306274908705e-32, -7.707659809325532e-33], [8.311240314011343e-33, 3.948307183738496, -1.398448178037321e-17], [-1.6316404800981862e-32, -1.3984481780373313e-17, 3.948307183738496]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 4.75604968e-15 4.75604968e-15 4.75604968e-15 -6.84705510e-31 -2.96503524e-34 1.04972271e-49] energy per atom = -4.174318965855612 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0