------ SYSTEM ------ Lattice Vectors (Ang) a_1 5.392832 0.000000 0.000000 a_2 0.000000 2.696416 -10.365293 a_3 0.000000 2.696416 10.365293 Unit Cell Volume: 301.45006 (Ang^3) Reciprocal-Space Vectors (Ang^-1) b_1 1.165099 -0.000000 0.000000 b_2 0.000000 1.165099 -0.303088 b_3 -0.000000 1.165099 0.303088 *----------------------------------------------------------------------------* | Site Fractional Coordinate Cartesian Coordinate (Ang) | +----------------------------------------------------------------------------+ | La 1 0.25000 -0.24973 -0.24973 | 1.34821 -1.34675 0.00000 | | La 2 -0.25000 0.24973 0.24973 | -1.34821 1.34675 0.00000 | | La 3 0.25000 -0.42524 -0.07762 | 1.34821 -1.35592 3.60321 | | La 4 -0.25000 0.07762 0.42524 | -1.34821 1.35592 3.60321 | | La 5 0.25000 -0.07762 -0.42524 | 1.34821 -1.35592 -3.60321 | | La 6 -0.25000 0.42524 0.07762 | -1.34821 1.35592 -3.60321 | | Ni 1 0.25000 0.15556 0.34357 | 1.34821 1.34587 1.94877 | | Ni 2 0.25000 0.34357 0.15556 | 1.34821 1.34587 -1.94877 | | Ni 3 -0.25000 -0.34357 -0.15556 | -1.34821 -1.34587 1.94877 | | Ni 4 -0.25000 -0.15556 -0.34357 | -1.34821 -1.34587 -1.94877 | | O 1 0.25000 0.24539 0.24539 | 1.34821 1.32337 0.00000 | | O 2 -0.25000 -0.24539 -0.24539 | -1.34821 -1.32337 0.00000 | | O 3 0.25000 0.04911 0.44920 | 1.34821 1.34364 4.14708 | | O 4 -0.25000 -0.44920 -0.04911 | -1.34821 -1.34364 4.14708 | | O 5 0.25000 0.44920 0.04911 | 1.34821 1.34364 -4.14708 | | O 6 -0.25000 -0.04911 -0.44920 | -1.34821 -1.34364 -4.14708 | | O 7 0.00000 -0.40949 0.40949 | 0.00000 0.00000 8.48906 | | O 8 0.00000 0.40949 -0.40949 | 0.00000 0.00000 -8.48906 | | O 9 -0.50000 -0.40949 0.40949 | -2.69642 0.00000 8.48906 | | O 10 -0.50000 0.40949 -0.40949 | -2.69642 0.00000 -8.48906 | | O 11 0.00000 -0.09118 0.09118 | 0.00000 0.00000 1.89021 | | O 12 0.00000 0.09118 -0.09118 | 0.00000 0.00000 -1.89021 | | O 13 -0.50000 -0.09118 0.09118 | -2.69642 0.00000 1.89021 | | O 14 -0.50000 0.09118 -0.09118 | -2.69642 0.00000 -1.89021 | 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