P LATTICE,NONEQUIV.ATOMS 8 6 Pm MODE OF CALC=RELA unit=bohr 10.204521 9.647052 5.878938 90.000000 90.000000 90.253000 ATOM -1: X=0.67290000 Y=0.13640000 Z=0.00000000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.61 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00080000 Y=0.62560000 Z=0.00000000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.61 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.16640000 Y=0.12980000 Z=0.50000000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.61 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.49890000 Y=0.63680000 Z=0.50000000 MULT= 1 ISPLIT= 8 Ga NPT= 781 R0=.000050000 RMT= 2.03 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.50480000 Y=0.03260000 Z=0.50000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.69 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=0.15090000 Y=0.49920000 Z=0.50000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.69 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.69 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=0.69010000 Y=0.49410000 Z=0.00000000 MULT= 1 ISPLIT= 8 N NPT= 781 R0=.000100000 RMT= 1.74 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000