P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 18.536324 6.169956 21.635475 90.000000 90.000000 90.000000 ATOM -1: X=0.24470000 Y=0.25000000 Z=0.65280000 MULT= 4 ISPLIT= 8 -1: X=0.75530000 Y=0.75000000 Z=0.34720000 -1: X=0.74470000 Y=0.25000000 Z=0.84720000 -1: X=0.25530000 Y=0.75000000 Z=0.15280000 Sr NPT= 781 R0=.000010000 RMT= 2.38 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=0.08040000 Y=0.25000000 Z=0.39360000 MULT= 4 ISPLIT= 8 -2: X=0.91960000 Y=0.75000000 Z=0.60640000 -2: X=0.58040000 Y=0.25000000 Z=0.10640000 -2: X=0.41960000 Y=0.75000000 Z=0.89360000 In NPT= 781 R0=.000010000 RMT= 2.11 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.57080000 Y=0.25000000 Z=0.61110000 MULT= 4 ISPLIT= 8 -3: X=0.42920000 Y=0.75000000 Z=0.38890000 -3: X=0.07080000 Y=0.25000000 Z=0.88890000 -3: X=0.92920000 Y=0.75000000 Z=0.11110000 In NPT= 781 R0=.000010000 RMT= 2.11 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.29600000 Y=0.25000000 Z=0.32700000 MULT= 4 ISPLIT= 8 -4: X=0.70400000 Y=0.75000000 Z=0.67300000 -4: X=0.79600000 Y=0.25000000 Z=0.17300000 -4: X=0.20400000 Y=0.75000000 Z=0.82700000 O NPT= 781 R0=.000100000 RMT= 1.81 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.37900000 Y=0.25000000 Z=0.01900000 MULT= 4 ISPLIT= 8 -5: X=0.62100000 Y=0.75000000 Z=0.98100000 -5: X=0.87900000 Y=0.25000000 Z=0.48100000 -5: X=0.12100000 Y=0.75000000 Z=0.51900000 O NPT= 781 R0=.000100000 RMT= 1.81 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.47700000 Y=0.25000000 Z=0.77800000 MULT= 4 ISPLIT= 8 -6: X=0.52300000 Y=0.75000000 Z=0.22200000 -6: X=0.97700000 Y=0.25000000 Z=0.72200000 -6: X=0.02300000 Y=0.75000000 Z=0.27800000 O NPT= 781 R0=.000100000 RMT= 1.81 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.08300000 Y=0.25000000 Z=0.07100000 MULT= 4 ISPLIT= 8 -7: X=0.91700000 Y=0.75000000 Z=0.92900000 -7: X=0.58300000 Y=0.25000000 Z=0.42900000 -7: X=0.41700000 Y=0.75000000 Z=0.57100000 O NPT= 781 R0=.000100000 RMT= 1.81 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000