element(s): ['Al', 'O'] AFLOW prototype label: A2B3_oC20_63_ac_cf Parameter names: ['a', 'b/a', 'c/a', 'y2', 'y3', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.6768', '3.3414898', '2.6307158', '0.75399795', '0.10720354', '0.36568771', '0.077796453'] model name: Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'O', 'O'] representative atom coordinates = [[0. 0. 0. ] [0. 0.75399795 0.25 ] [0. 0.10720354 0.25 ] [0. 0.36568771 0.07779645]] spacegroup = 63 cell = [[2.6768, 0, 0], [0, 8.9445, 0], [0, 0, 7.0419]] =========================================