P LATTICE,NONEQUIV.ATOMS 13 11 P21/m MODE OF CALC=RELA unit=bohr 24.145031 19.915824 13.670279 90.000000 90.000000101.960000 ATOM -1: X=0.33920000 Y=0.95660000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.66080000 Y=0.04340000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.92680000 Y=0.08060000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.07320000 Y=0.91940000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.55440000 Y=0.64840000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.44560000 Y=0.35160000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.21280000 Y=0.36500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.78720000 Y=0.63500000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.39 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.88500000 Y=0.67850000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.11500000 Y=0.32150000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.39 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.62450000 Y=0.26670000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.37550000 Y=0.73330000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.39 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.10550000 Y=0.62780000 Z=0.02650000 MULT= 4 ISPLIT= 8 -7: X=0.89450000 Y=0.37220000 Z=0.97350000 -7: X=0.89450000 Y=0.37220000 Z=0.52650000 -7: X=0.10550000 Y=0.62780000 Z=0.47350000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.03100000 Y=0.41130000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.96900000 Y=0.58870000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.18780000 Y=0.19950000 Z=0.50190000 MULT= 4 ISPLIT= 8 -9: X=0.81220000 Y=0.80050000 Z=0.49810000 -9: X=0.81220000 Y=0.80050000 Z=0.00190000 -9: X=0.18780000 Y=0.19950000 Z=0.99810000 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.06150000 Y=0.80880000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.93850000 Y=0.19120000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.29830000 Y=0.62460000 Z=0.01430000 MULT= 4 ISPLIT= 8 -11: X=0.70170000 Y=0.37540000 Z=0.98570000 -11: X=0.70170000 Y=0.37540000 Z=0.51430000 -11: X=0.29830000 Y=0.62460000 Z=0.48570000 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.64020000 Y=0.05220000 Z=0.25000000 MULT= 2 ISPLIT= 8 -12: X=0.35980000 Y=0.94780000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.44920000 Y=0.29370000 Z=0.25000000 MULT= 2 ISPLIT= 8 -13: X=0.55080000 Y=0.70630000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.95 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000