element(s): ['Pb'] 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: ['5.0157'] model name: EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pb'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[5.0157, 0, 0], [0, 5.0157, 0], [0, 0, 5.0157]] ========================================= Step Time Energy fmax BFGS: 0 15:25:08 -8.041449 0.683517 BFGS: 1 15:25:08 -8.060081 0.588851 BFGS: 2 15:25:08 -8.114459 0.156078 BFGS: 3 15:25:08 -8.119646 0.037206 BFGS: 4 15:25:08 -8.119992 0.004180 BFGS: 5 15:25:08 -8.119997 0.000200 BFGS: 6 15:25:08 -8.119997 0.000001 BFGS: 7 15:25:08 -8.119997 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1689663322338037e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.910130437499232, -9.108802540548102e-35, 9.47034547151551e-34], [3.0095291148843045e-33, 4.910130437499232, 1.0373291307180815e-18], [-7.1024686584307824e-34, 1.0373291307180824e-18, 4.910130437499232]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 1.16896633e-11 1.16896633e-11 1.16896633e-11 -1.82027961e-28 -1.62522402e-40 5.02918691e-57] energy per atom = -2.0299992097480186 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0