------ SYSTEM ------ Lattice Vectors (Ang) a_1 5.392832 0.000000 0.000000 a_2 0.000000 2.724281 -10.259254 a_3 0.000000 2.724281 10.259254 Unit Cell Volume: 301.44952 (Ang^3) Reciprocal-Space Vectors (Ang^-1) b_1 1.165099 -0.000000 0.000000 b_2 0.000000 1.153182 -0.306220 b_3 -0.000000 1.153182 0.306220 *----------------------------------------------------------------------------* | Site Fractional Coordinate Cartesian Coordinate (Ang) | +----------------------------------------------------------------------------+ | La 1 0.25000 -0.24660 -0.24660 | 1.34821 -1.34362 0.00000 | | La 2 -0.25000 0.24660 0.24660 | -1.34821 1.34362 0.00000 | | La 3 0.25000 -0.42130 -0.05890 | 1.34821 -1.30820 3.71795 | | La 4 -0.25000 0.05890 0.42130 | -1.34821 1.30820 3.71795 | | La 5 0.25000 -0.05890 -0.42130 | 1.34821 -1.30820 -3.71795 | | La 6 -0.25000 0.42130 0.05890 | -1.34821 1.30820 -3.71795 | | Ni 1 0.25000 0.15920 0.35040 | 1.34821 1.38829 1.96157 | | Ni 2 0.25000 0.35040 0.15920 | 1.34821 1.38829 -1.96157 | | Ni 3 -0.25000 -0.35040 -0.15920 | -1.34821 -1.38829 1.96157 | | Ni 4 -0.25000 -0.15920 -0.35040 | -1.34821 -1.38829 -1.96157 | | O 1 0.25000 0.29380 0.29380 | 1.34821 1.60079 0.00000 | | O 2 -0.25000 -0.29380 -0.29380 | -1.34821 -1.60079 0.00000 | | O 3 0.25000 0.01510 0.42270 | 1.34821 1.19269 4.18167 | | O 4 -0.25000 -0.42270 -0.01510 | -1.34821 -1.19269 4.18167 | | O 5 0.25000 0.42270 0.01510 | 1.34821 1.19269 -4.18167 | | O 6 -0.25000 -0.01510 -0.42270 | -1.34821 -1.19269 -4.18167 | | O 7 0.00000 -0.39560 0.39560 | 0.00000 0.00000 8.11712 | | O 8 0.00000 0.39560 -0.39560 | 0.00000 0.00000 -8.11712 | | O 9 -0.50000 -0.39560 0.39560 | -2.69642 0.00000 8.11712 | | O 10 -0.50000 0.39560 -0.39560 | -2.69642 0.00000 -8.11712 | | O 11 0.00000 -0.08830 0.08830 | 0.00000 0.00000 1.81178 | | O 12 0.00000 0.08830 -0.08830 | 0.00000 0.00000 -1.81178 | | O 13 -0.50000 -0.08830 0.08830 | -2.69642 0.00000 1.81178 | | O 14 -0.50000 0.08830 -0.08830 | -2.69642 0.00000 -1.81178 | 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