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_1987_Ag__MO_212700056563_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 14:45:05 -5.905454 0.4996 BFGS: 1 14:45:05 -5.913352 0.3978 BFGS: 2 14:45:05 -5.924877 0.1538 BFGS: 3 14:45:05 -5.925190 0.1178 BFGS: 4 14:45:05 -5.925995 0.0347 BFGS: 5 14:45:05 -5.926112 0.0096 BFGS: 6 14:45:05 -5.926118 0.0017 BFGS: 7 14:45:05 -5.926118 0.0001 BFGS: 8 14:45:05 -5.926118 0.0000 BFGS: 9 14:45:05 -5.926118 0.0000 BFGS: 10 14:45:05 -5.926118 0.0000 Minimization converged after 10 steps. Maximum force component: 9.83709403104371e-33 eV/Angstrom Maximum stress component: 6.0654256897060255e-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([[2.877274907508261, 1.1347530232581298e-17, 7.011755203688225e-38], [-1.4386374537541304, 2.4917931635736754, 5.7559650048446956e-37], [3.7506337593525044e-37, 9.953548346765965e-36, 4.788479290734371]]) forces = [[-7.70502173e-70 -2.04478259e-68 -9.83709403e-33] [ 7.70502173e-70 2.04478259e-68 9.83709403e-33]] stress = [-2.69933986e-12 -2.69933986e-12 -6.06542569e-12 3.44341686e-34 -1.80729251e-47 -7.12478247e-28] energy per atom = -2.96305914760027 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0