UO F LATTICE,NONEQUIV.ATOMS: 2225_Fm-3m MODE OF CALC=RELA unit=bohr 9.297453 9.297453 9.297453 90.000000 90.000000 90.000000 ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 2 U 2+ NPT= 781 R0=0.00000500 RMT= 2.4500 Z: 92.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM 2: X=0.50000000 Y=0.50000000 Z=0.50000000 MULT= 1 ISPLIT= 2 O 2- NPT= 781 R0=0.00010000 RMT= 2.1700 Z: 8.0 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 48 NUMBER OF SYMMETRY OPERATIONS 1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 1 1 0 0 0.00000000 0 0-1 0.00000000 0-1 0 0.00000000 2 -1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 3 -1 0 0 0.00000000 0 0-1 0.00000000 0-1 0 0.00000000 4 0 1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 5 0 0 1 0.00000000 -1 0 0 0.00000000 0-1 0 0.00000000 6 0 1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 7 0 0 1 0.00000000 1 0 0 0.00000000 0-1 0 0.00000000 8 0 1 0 0.00000000 0 0-1 0.00000000 -1 0 0 0.00000000 9 0 0 1 0.00000000 0-1 0 0.00000000 -1 0 0 0.00000000 10 0 1 0 0.00000000 0 0-1 0.00000000 1 0 0 0.00000000 11 0 0 1 0.00000000 0-1 0 0.00000000 1 0 0 0.00000000 12 0-1 0 0.00000000 -1 0 0 0.00000000 0 0-1 0.00000000 13 0-1 0 0.00000000 1 0 0 0.00000000 0 0-1 0.00000000 14 0 0-1 0.00000000 -1 0 0 0.00000000 0-1 0 0.00000000 15 0 0-1 0.00000000 1 0 0 0.00000000 0-1 0 0.00000000 16 1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 17 -1 0 0 0.00000000 0 1 0 0.00000000 0 0-1 0.00000000 18 1 0 0 0.00000000 0 0 1 0.00000000 0-1 0 0.00000000 19 -1 0 0 0.00000000 0 0 1 0.00000000 0-1 0 0.00000000 20 0-1 0 0.00000000 0 0-1 0.00000000 -1 0 0 0.00000000 21 0 0-1 0.00000000 0-1 0 0.00000000 -1 0 0 0.00000000 22 0-1 0 0.00000000 0 0-1 0.00000000 1 0 0 0.00000000 23 0 0-1 0.00000000 0-1 0 0.00000000 1 0 0 0.00000000 24 0 0 1 0.00000000 0 1 0 0.00000000 -1 0 0 0.00000000 25 0 1 0 0.00000000 0 0 1 0.00000000 -1 0 0 0.00000000 26 0 0 1 0.00000000 0 1 0 0.00000000 1 0 0 0.00000000 27 0 1 0 0.00000000 0 0 1 0.00000000 1 0 0 0.00000000 28 1 0 0 0.00000000 0 0-1 0.00000000 0 1 0 0.00000000 29 -1 0 0 0.00000000 0 0-1 0.00000000 0 1 0 0.00000000 30 1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 31 -1 0 0 0.00000000 0-1 0 0.00000000 0 0 1 0.00000000 32 0 0 1 0.00000000 -1 0 0 0.00000000 0 1 0 0.00000000 33 0 0 1 0.00000000 1 0 0 0.00000000 0 1 0 0.00000000 34 0 1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 35 0 1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 36 0 0-1 0.00000000 0 1 0 0.00000000 -1 0 0 0.00000000 37 0-1 0 0.00000000 0 0 1 0.00000000 -1 0 0 0.00000000 38 0 0-1 0.00000000 0 1 0 0.00000000 1 0 0 0.00000000 39 0-1 0 0.00000000 0 0 1 0.00000000 1 0 0 0.00000000 40 0 0-1 0.00000000 -1 0 0 0.00000000 0 1 0 0.00000000 41 0-1 0 0.00000000 -1 0 0 0.00000000 0 0 1 0.00000000 42 0 0-1 0.00000000 1 0 0 0.00000000 0 1 0 0.00000000 43 0-1 0 0.00000000 1 0 0 0.00000000 0 0 1 0.00000000 44 1 0 0 0.00000000 0 0 1 0.00000000 0 1 0 0.00000000 45 1 0 0 0.00000000 0-1 0 0.00000000 0 0-1 0.00000000 46 -1 0 0 0.00000000 0 0 1 0.00000000 0 1 0 0.00000000 47 -1 0 0 0.00000000 0 1 0 0.00000000 0 0 1 0.00000000 48