element(s): ['Ag'] AFLOW prototype label: A_hP2_194_c Parameter names: ['a', 'c/a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.933', '1.6373338'] model name: EAM_Dynamo_WilliamsMishinHamilton_2006_Ag__MO_131620013077_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.933, 0, 0], [-1.4665, 2.5400525092998, 0], [0, 0, 4.8023]] ========================================= Step Time Energy fmax BFGS: 0 15:37:08 -5.665022 0.536982 BFGS: 1 15:37:08 -5.674810 0.450024 BFGS: 2 15:37:08 -5.691288 0.097445 BFGS: 3 15:37:08 -5.691689 0.064562 BFGS: 4 15:37:08 -5.691780 0.060948 BFGS: 5 15:37:08 -5.692305 0.001796 BFGS: 6 15:37:08 -5.692305 0.000042 BFGS: 7 15:37:08 -5.692305 0.000002 BFGS: 8 15:37:09 -5.692305 0.000000 Minimization converged after 8 steps. Maximum force component: 9.612822697775385e-33 eV/Angstrom Maximum stress component: 2.0116397037487394e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag'] basis = [[0.33333333 0.66666667 0.25 ] [0.66666666 0.33333334 0.75 ]] cellpar = Cell([[2.8963894046647027, -1.4395720009200846e-17, 2.903785274887896e-38], [-1.4481947023323514, 2.5083468036917203, -1.7521886199743548e-36], [-2.8959008586345315e-36, -1.0591424285706135e-35, 4.679308977685445]]) forces = [[-2.97506298e-33 1.47867457e-50 -9.61282270e-33] [ 2.97506298e-33 -1.47867457e-50 9.61282270e-33]] stress = [-1.22222003e-11 -1.22222003e-11 -2.01163970e-11 3.50049853e-34 2.32833939e-48 7.30988459e-28] energy per atom = -2.84615247158212 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0