element(s): ['Pb'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.975'] model name: EAM_Dynamo_WangZhuXiang_2018pot2_Pb__MO_961101070310_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pb'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[3.975, 0, 0], [0, 3.975, 0], [0, 0, 3.975]] ========================================= Step Time Energy fmax BFGS: 0 16:21:16 -3.996147 0.138967 BFGS: 1 16:21:16 -3.996912 0.117773 BFGS: 2 16:21:16 -3.998796 0.005453 BFGS: 3 16:21:16 -3.998800 0.000200 BFGS: 4 16:21:16 -3.998800 0.000000 BFGS: 5 16:21:16 -3.998800 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.545025925443435e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.9500653902781515, 5.212776761768706e-33, -3.608173369640784e-33], [-5.579810852377917e-35, 3.9500653902781515, -4.34151898731372e-20], [-4.76646391900787e-33, -4.3415189873135984e-20, 3.9500653902781515]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.54502593e-13 -5.54502593e-13 -5.54502593e-13 -2.83843955e-28 2.67438555e-35 1.29618794e-51] energy per atom = -1.9994000903964195 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0