element(s): ['V'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.8599'] model name: EAM_Dynamo_Olsson_2009_V__MO_944449444863_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['V'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.8599, 0, 0], [0, 3.8599, 0], [0, 0, 3.8599]] ========================================= Step Time Energy fmax BFGS: 0 17:20:54 -20.689570 0.0246 BFGS: 1 17:20:54 -20.689595 0.0231 BFGS: 2 17:20:54 -20.689787 0.0001 BFGS: 3 17:20:54 -20.689787 0.0000 BFGS: 4 17:20:54 -20.689787 0.0000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2563250733060314e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['V', 'V', 'V', 'V'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.854239927251877, -1.5553840087790445e-33, 1.808226171080081e-33], [1.332801682932661e-33, 3.854239927251877, 6.054886307678856e-21], [3.1535634511591313e-35, 6.054886307680408e-21, 3.854239927251877]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.25632507e-12 1.25632507e-12 1.25632507e-12 -1.98329242e-28 5.38021634e-63 1.01105076e-61] energy per atom = -5.172446574211601 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0