CXY LATTICE,NONEQUIV.ATOMS 4 63 Cmcm MODE OF CALC=RELA unit=bohr 8.428557 19.381031 22.106016 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.72787000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.27213000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.24740000 Z=0.03810000 MULT= 4 ISPLIT= 8 -2: X=0.00000000 Y=0.75260000 Z=0.96190000 -2: X=0.00000000 Y=0.24740000 Z=0.46190000 -2: X=0.00000000 Y=0.75260000 Z=0.53810000 Si NPT= 781 R0=.000100000 RMT= 2.23 Z: 14.00000 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=0.44220000 Z=0.14730000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.55780000 Z=0.85270000 -3: X=0.00000000 Y=0.44220000 Z=0.35270000 -3: X=0.00000000 Y=0.55780000 Z=0.64730000 Si NPT= 781 R0=.000100000 RMT= 2.23 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.02340000 Z=0.10090000 MULT= 4 ISPLIT= 8 -4: X=0.00000000 Y=0.97660000 Z=0.89910000 -4: X=0.00000000 Y=0.02340000 Z=0.39910000 -4: X=0.00000000 Y=0.97660000 Z=0.60090000 Si NPT= 781 R0=.000100000 RMT= 2.23 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000