R LATTICE,NONEQUIV.ATOMS 8 160 R3m MODE OF CALC=RELA unit=bohr 4.889855 4.889855 48.235635 90.000000 90.000000120.000000 ATOM -1: X=0.19755000 Y=0.19755000 Z=0.19755000 MULT= 1 ISPLIT= 4 B NPT= 781 R0=.000100000 RMT= 1.48 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.08920000 Y=0.08920000 Z=0.08920000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.26089000 Y=0.26089000 Z=0.26089000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.44374000 Y=0.44374000 Z=0.44374000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.50279000 Y=0.50279000 Z=0.50279000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.61453000 Y=0.61453000 Z=0.61453000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.67529000 Y=0.67529000 Z=0.67529000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.02883000 Y=0.02883000 Z=0.02883000 MULT= 1 ISPLIT= 4 C NPT= 781 R0=.000100000 RMT= 1.42 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000