element(s): ['W'] 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: ['3.2041'] model name: EAM_Dynamo_MarinicaVentelonGilbert_2013EAM4__MO_046576227003_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['W'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]] ========================================= Step Time Energy fmax BFGS: 0 16:26:55 -17.704838 1.683536 BFGS: 1 16:26:55 -17.787232 0.608430 BFGS: 2 16:26:55 -17.799988 0.010903 BFGS: 3 16:26:55 -17.799992 0.000677 BFGS: 4 16:26:55 -17.799992 0.000001 BFGS: 5 16:26:55 -17.799992 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.6620677042820566e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['W', 'W'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.1433900286330045, -5.2282227664069964e-33, 5.433444647883465e-34], [-1.5006540267913082e-32, 3.143390028633004, 3.00327211636812e-19], [9.496958294746562e-33, 3.0032721163679726e-19, 3.1433900286330045]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 5.66206770e-12 5.66206770e-12 5.66206770e-12 -1.18538896e-27 -2.07908702e-34 2.80926540e-50] energy per atom = -8.899995814009054 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0