element(s): ['Ag'] AFLOW prototype label: A_hP4_194_ac 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: ['2.9312', '3.2802265'] model name: EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag', 'Ag'] representative atom coordinates = [[0. 0. 0. ] [0.33333333 0.66666667 0.25 ]] spacegroup = 194 cell = [[2.9312, 0, 0], [-1.4656, 2.5384936635729, 0], [0, 0, 9.615]] ========================================= Step Time Energy fmax BFGS: 0 16:10:41 -11.871437 0.097450 BFGS: 1 16:10:41 -11.871721 0.086800 BFGS: 2 16:10:41 -11.872750 0.023268 BFGS: 3 16:10:41 -11.872759 0.023215 BFGS: 4 16:10:41 -11.872862 0.011490 BFGS: 5 16:10:41 -11.872876 0.003605 BFGS: 6 16:10:41 -11.872878 0.000388 BFGS: 7 16:10:41 -11.872878 0.000023 BFGS: 8 16:10:41 -11.872878 0.000001 BFGS: 9 16:10:41 -11.872878 0.000000 BFGS: 10 16:10:41 -11.872878 0.000000 Minimization converged after 10 steps. Maximum force component: 1.973397301258518e-32 eV/Angstrom Maximum stress component: 9.763513183397334e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0. 0.5 ] [0.33333333 0.66666667 0.25 ] [0.66666667 0.33333333 0.75 ]] cellpar = Cell([[2.942704076962435, -2.38522442493368e-18, 1.140640590602471e-39], [-1.4713520384812175, 2.5484564864695076, 2.2814233803415506e-39], [2.458355404772414e-38, 9.825573137871655e-38, 9.606060569967854]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.40046514e-33 6.54419821e-34 1.97339730e-32] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-9.76351318e-12 -9.76351318e-12 -3.18337725e-12 4.19581828e-35 -7.26737043e-35 -6.30400547e-27] energy per atom = -2.968219469935579 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0