P LATTICE,NONEQUIV.ATOMS 8 11 P21/m MODE OF CALC=RELA unit=bohr 13.845079 9.516472 15.240074 90.000000 90.000000108.633000 ATOM -1: X=0.25178000 Y=0.73064000 Z=0.00735000 MULT= 4 ISPLIT= 8 -1: X=0.74822000 Y=0.26936000 Z=0.99265000 -1: X=0.74822000 Y=0.26936000 Z=0.50735000 -1: X=0.25178000 Y=0.73064000 Z=0.49265000 Y NPT= 781 R0=.000010000 RMT= 2.17 Z: 39.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.13280000 Y=0.21300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.86720000 Y=0.78700000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.39 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=0.57330000 Y=0.65350000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.42670000 Y=0.34650000 Z=0.75000000 Si NPT= 781 R0=.000100000 RMT= 1.39 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=0.18580000 Y=0.92740000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.81420000 Y=0.07260000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.03470000 Y=0.28400000 Z=0.08470000 MULT= 4 ISPLIT= 8 -5: X=0.96530000 Y=0.71600000 Z=0.91530000 -5: X=0.96530000 Y=0.71600000 Z=0.58470000 -5: X=0.03470000 Y=0.28400000 Z=0.41530000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.33530000 Y=0.48870000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.66470000 Y=0.51130000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.68770000 Y=0.43080000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.31230000 Y=0.56920000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.40750000 Y=0.16920000 Z=0.58050000 MULT= 4 ISPLIT= 8 -8: X=0.59250000 Y=0.83080000 Z=0.41950000 -8: X=0.59250000 Y=0.83080000 Z=0.08050000 -8: X=0.40750000 Y=0.16920000 Z=0.91950000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000