P LATTICE,NONEQUIV.ATOMS 11 11 P21/m MODE OF CALC=RELA unit=bohr 29.218945 11.657721 6.612152 90.000000 90.000000 93.400000 ATOM -1: X=0.49800000 Y=0.19400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.50200000 Y=0.80600000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.32200000 Y=0.28700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.67800000 Y=0.71300000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.67400000 Y=0.34000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.32600000 Y=0.66000000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.78100000 Y=0.00500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.21900000 Y=0.99500000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.94900000 Y=0.85200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.05100000 Y=0.14800000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.07600000 Y=0.52700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.92400000 Y=0.47300000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.45 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.61200000 Y=0.95800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.38800000 Y=0.04200000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.72 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 -8: X=0.44300000 Y=0.54300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.55700000 Y=0.45700000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.72 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 -9: X=0.16300000 Y=0.25100000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.83700000 Y=0.74900000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.72 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 -10: X=0.21300000 Y=0.68700000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.78700000 Y=0.31300000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.72 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 -11: X=0.92600000 Y=0.25200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -11: X=0.07400000 Y=0.74800000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.72 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000