P LATTICE,NONEQUIV.ATOMS 7 11 P21/m MODE OF CALC=RELA unit=bohr 18.232078 17.068006 7.337807 90.000000 90.000000112.420000 ATOM -1: X=0.44420000 Y=0.81650000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.55580000 Y=0.18350000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.17010000 Y=0.02020000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.82990000 Y=0.97980000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.85220000 Y=0.61750000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.14780000 Y=0.38250000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.39 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.84850000 Y=0.25800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.15150000 Y=0.74200000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 1.86 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.44410000 Y=0.41550000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.55590000 Y=0.58450000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 1.86 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.01080000 Y=0.18040000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.98920000 Y=0.81960000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.60 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.67840000 Y=0.07330000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.32160000 Y=0.92670000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.60 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000