CXY LATTICE,NONEQUIV.ATOMS 11 63 Cmcm MODE OF CALC=RELA unit=bohr 8.277000 46.392777 20.106686 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.07540000 Z=0.63370000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.92460000 Z=0.36630000 -1: X=0.00000000 Y=0.07540000 Z=0.86630000 -1: X=0.00000000 Y=0.92460000 Z=0.13370000 Ge NPT= 781 R0=.000050000 RMT= 2.32 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.17150000 Z=0.55860000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.82850000 Z=0.44140000 -2: X=0.00000000 Y=0.17150000 Z=0.94140000 -2: X=0.00000000 Y=0.82850000 Z=0.05860000 Ge NPT= 781 R0=.000050000 RMT= 2.32 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.77080000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.22920000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.32 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.58010000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.41990000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.32 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.13200000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.86800000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.03900000 Z=0.10600000 MULT= 4 ISPLIT= 8 -6: X=0.00000000 Y=0.96100000 Z=0.89400000 -6: X=0.00000000 Y=0.03900000 Z=0.39400000 -6: X=0.00000000 Y=0.96100000 Z=0.60600000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.00000000 Y=0.25900000 Z=0.09900000 MULT= 4 ISPLIT= 8 -7: X=0.00000000 Y=0.74100000 Z=0.90100000 -7: X=0.00000000 Y=0.25900000 Z=0.40100000 -7: X=0.00000000 Y=0.74100000 Z=0.59900000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.00000000 Y=0.46500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.53500000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.35800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.00000000 Y=0.64200000 Z=0.75000000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.00000000 Y=0.40800000 Z=0.00500000 MULT= 4 ISPLIT= 8 -10: X=0.00000000 Y=0.59200000 Z=0.99500000 -10: X=0.00000000 Y=0.40800000 Z=0.49500000 -10: X=0.00000000 Y=0.59200000 Z=0.50500000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -11: X=0.00000000 Y=0.68100000 Z=0.12100000 MULT= 4 ISPLIT= 8 -11: X=0.00000000 Y=0.31900000 Z=0.87900000 -11: X=0.00000000 Y=0.68100000 Z=0.37900000 -11: X=0.00000000 Y=0.31900000 Z=0.62100000 Li NPT= 781 R0=.000100000 RMT= 2.02 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000