P LATTICE,NONEQUIV.ATOMS 7 11 P21/m MODE OF CALC=RELA unit=bohr 12.702361 9.212415 13.598469 90.000000 90.000000 94.265000 ATOM -1: X=0.81490000 Y=0.03090000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.18510000 Y=0.96910000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.29 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=0.28051000 Y=0.46520000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.71949000 Y=0.53480000 Z=0.75000000 Ta NPT= 781 R0=.000005000 RMT= 1.88 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00400000 Y=0.57600000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.99600000 Y=0.42400000 Z=0.75000000 F NPT= 781 R0=.000100000 RMT= 1.70 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28330000 Y=0.67600000 Z=0.02580000 MULT= 4 ISPLIT= 8 -4: X=0.71670000 Y=0.32400000 Z=0.97420000 -4: X=0.71670000 Y=0.32400000 Z=0.52580000 -4: X=0.28330000 Y=0.67600000 Z=0.47420000 F NPT= 781 R0=.000100000 RMT= 1.70 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.45100000 Y=0.16900000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.54900000 Y=0.83100000 Z=0.75000000 F NPT= 781 R0=.000100000 RMT= 1.70 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.13990000 Y=0.19100000 Z=0.07510000 MULT= 4 ISPLIT= 8 -6: X=0.86010000 Y=0.80900000 Z=0.92490000 -6: X=0.86010000 Y=0.80900000 Z=0.57510000 -6: X=0.13990000 Y=0.19100000 Z=0.42490000 F NPT= 781 R0=.000100000 RMT= 1.70 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.54500000 Y=0.64800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.45500000 Y=0.35200000 Z=0.75000000 F NPT= 781 R0=.000100000 RMT= 1.70 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000