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_AcklandTichyVitek_1987v2_Ag__MO_055919219575_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 15:14:25 -5.905454 0.499569 BFGS: 1 15:14:25 -5.913352 0.397776 BFGS: 2 15:14:25 -5.924877 0.153770 BFGS: 3 15:14:26 -5.925190 0.117823 BFGS: 4 15:14:26 -5.925995 0.034653 BFGS: 5 15:14:26 -5.926112 0.009588 BFGS: 6 15:14:26 -5.926118 0.001703 BFGS: 7 15:14:26 -5.926118 0.000148 BFGS: 8 15:14:26 -5.926118 0.000001 BFGS: 9 15:14:26 -5.926118 0.000000 BFGS: 10 15:14:26 -5.926118 0.000000 Minimization converged after 10 steps. Maximum force component: 8.866287844141436e-33 eV/Angstrom Maximum stress component: 6.065795160056567e-12 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([[2.877274907500069, 1.535653578392071e-18, 6.755194079536416e-38], [-1.4386374537500346, 2.4917931635665806, -1.3051517343336564e-36], [-2.1480742249010222e-37, -2.6110914205366414e-36, 4.788479290775829]]) forces = [[ 8.86628784e-33 -5.11895367e-33 -2.45927351e-33] [-8.86628784e-33 5.11895367e-33 2.45927351e-33]] stress = [-2.69991185e-12 -2.69991185e-12 -6.06579516e-12 -3.01298975e-34 -7.45521619e-35 6.26381885e-28] energy per atom = -2.9630591476013097 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0