CXZ LATTICE,NONEQUIV.ATOMS 13 12 B2/m MODE OF CALC=RELA unit=bohr 45.389332 29.699125 8.037761 90.000000 90.000000 69.623000 ATOM -1: X=0.58563000 Y=0.43707000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.41437000 Y=0.56293000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.83899000 Y=0.05777000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.16101000 Y=0.94223000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.76221000 Y=0.33075000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.23779000 Y=0.66925000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.66383000 Y=0.16607000 Z=0.00000000 MULT= 2 ISPLIT=15 -4: X=0.33617000 Y=0.83393000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.48257000 Y=0.28996000 Z=0.00000000 MULT= 2 ISPLIT=15 -5: X=0.51743000 Y=0.71004000 Z=0.00000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.67264000 Y=0.56273000 Z=0.00000000 MULT= 2 ISPLIT=15 -6: X=0.32736000 Y=0.43727000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.00000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.90908000 Y=0.20443000 Z=0.00000000 MULT= 2 ISPLIT=15 -7: X=0.09092000 Y=0.79557000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.00000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.55975000 Y=0.06662000 Z=0.00000000 MULT= 2 ISPLIT=15 -8: X=0.44025000 Y=0.93338000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.00000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.92407000 Y=0.70758000 Z=0.00000000 MULT= 2 ISPLIT=15 -9: X=0.07593000 Y=0.29242000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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=0.24990000 Y=0.04012000 Z=0.00000000 MULT= 2 ISPLIT=15 -10: X=0.75010000 Y=0.95988000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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=0.99121000 Y=0.42687000 Z=0.00000000 MULT= 2 ISPLIT=15 -11: X=0.00879000 Y=0.57313000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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 -12: X=0.26015000 Y=0.19025000 Z=0.00000000 MULT= 2 ISPLIT=15 -12: X=0.73985000 Y=0.80975000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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 -13: X=0.82807000 Y=0.68063000 Z=0.00000000 MULT= 2 ISPLIT=15 -13: X=0.17193000 Y=0.31937000 Z=0.00000000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000