element(s): ['Pt'] 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: ['3.949'] model name: EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pt__MO_388062184209_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pt'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]] ========================================= Step Time Energy fmax BFGS: 0 15:27:36 -23.054598 0.567466 BFGS: 1 15:27:36 -23.066568 0.416247 BFGS: 2 15:27:36 -23.079967 0.021235 BFGS: 3 15:27:36 -23.080000 0.000736 BFGS: 4 15:27:36 -23.080000 0.000001 BFGS: 5 15:27:36 -23.080000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.733114017141957e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pt', 'Pt', 'Pt', 'Pt'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.9200000550750467, 1.1778179949999608e-33, 1.339246559812996e-33], [8.027788275229572e-33, 3.9200000550750467, 2.352835188960512e-19], [-2.1462512535097572e-33, 2.352835188960528e-19, 3.9200000550750467]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.73311402e-12 -4.73311402e-12 -4.73311402e-12 1.79558283e-28 2.25600909e-34 -2.03560735e-51] energy per atom = -5.769999999231373 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0