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_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000 ==== 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 14:45:06 -5.929445 0.0939 BFGS: 1 14:45:06 -5.929701 0.0733 BFGS: 2 14:45:06 -5.930080 0.0138 BFGS: 3 14:45:06 -5.930083 0.0136 BFGS: 4 14:45:06 -5.930107 0.0043 BFGS: 5 14:45:06 -5.930108 0.0010 BFGS: 6 14:45:06 -5.930108 0.0001 BFGS: 7 14:45:06 -5.930108 0.0000 BFGS: 8 14:45:06 -5.930108 0.0000 BFGS: 9 14:45:06 -5.930108 0.0000 Minimization converged after 9 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.1919968885592434e-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([[2.9435115315821805, 9.408976773797809e-19, 1.710438737087633e-39], [-1.4717557657910902, 2.549155762682609, -1.9009897305950146e-38], [3.4688730695224877e-38, 3.4542838646304075e-36, 4.801539374101255]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.19199689e-11 -4.19199689e-11 -4.15997831e-11 1.67838791e-34 -4.30667647e-47 2.55261747e-26] energy per atom = -2.9650540612520997 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0