P LATTICE,NONEQUIV.ATOMS 11 2 P-1 MODE OF CALC=RELA unit=bohr 12.092358 17.440282 20.905095 74.076000 74.478000 88.610000 ATOM -1: X=0.12603000 Y=0.17010000 Z=0.66312000 MULT= 2 ISPLIT= 8 -1: X=0.87397000 Y=0.82990000 Z=0.33688000 Te NPT= 781 R0=.000010000 RMT= 2.30 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.43668000 Y=0.24079000 Z=0.20538000 MULT= 2 ISPLIT= 8 -2: X=0.56332000 Y=0.75921000 Z=0.79462000 W NPT= 781 R0=.000005000 RMT= 2.27 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.34450000 Y=0.25270000 Z=0.02020000 MULT= 2 ISPLIT= 8 -3: X=0.65550000 Y=0.74730000 Z=0.97980000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.43140000 Y=0.00390000 Z=0.80240000 MULT= 2 ISPLIT= 8 -4: X=0.56860000 Y=0.99610000 Z=0.19760000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.28110000 Y=0.45920000 Z=0.22420000 MULT= 2 ISPLIT= 8 -5: X=0.71890000 Y=0.54080000 Z=0.77580000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.09390000 Y=0.11000000 Z=0.33160000 MULT= 2 ISPLIT= 8 -6: X=0.90610000 Y=0.89000000 Z=0.66840000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.51400000 Y=0.19830000 Z=0.40910000 MULT= 2 ISPLIT= 8 -7: X=0.48600000 Y=0.80170000 Z=0.59090000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.77230000 Y=0.35040000 Z=0.10680000 MULT= 2 ISPLIT= 8 -8: X=0.22770000 Y=0.64960000 Z=0.89320000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.11570000 Y=0.69540000 Z=0.43720000 MULT= 2 ISPLIT= 8 -9: X=0.88430000 Y=0.30460000 Z=0.56280000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.09240000 Y=0.86310000 Z=0.13080000 MULT= 2 ISPLIT= 8 -10: X=0.90760000 Y=0.13690000 Z=0.86920000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.30810000 Y=0.38140000 Z=0.66470000 MULT= 2 ISPLIT= 8 -11: X=0.69190000 Y=0.61860000 Z=0.33530000 Cl NPT= 781 R0=.000100000 RMT= 1.96 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000