element(s): ['Ag'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.1492'] model name: EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ag'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[4.1492, 0, 0], [0, 4.1492, 0], [0, 0, 4.1492]] ========================================= Step Time Energy fmax BFGS: 0 16:46:15 -11.360154 0.4543 BFGS: 1 16:46:15 -11.368532 0.4061 BFGS: 2 16:46:15 -11.400050 0.0052 BFGS: 3 16:46:15 -11.400054 0.0004 BFGS: 4 16:46:15 -11.400054 0.0000 BFGS: 5 16:46:15 -11.400054 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 8.239044029442016e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ag', 'Ag', 'Ag', 'Ag'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.089974212544214, 1.6321546505542795e-32, 8.984261434416162e-34], [1.6054093609382333e-32, 4.089974212544214, 1.400816674343724e-19], [-9.500266606952065e-33, 1.4008166743438101e-19, 4.089974212544214]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [8.23904403e-13 8.23904403e-13 8.23904403e-13 5.51741249e-29 2.65262416e-62 4.36852170e-61] energy per atom = -2.850007747953995 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0