P LATTICE,NONEQUIV.ATOMS 10 62 Pnma MODE OF CALC=RELA unit=bohr 29.889798 7.895654 34.908911 90.000000 90.000000 90.000000 ATOM -1: X=0.00644000 Y=0.25000000 Z=0.62705000 MULT= 4 ISPLIT= 8 -1: X=0.99356000 Y=0.75000000 Z=0.37295000 -1: X=0.50644000 Y=0.25000000 Z=0.87295000 -1: X=0.49356000 Y=0.75000000 Z=0.12705000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.46483000 Y=0.25000000 Z=0.38778000 MULT= 4 ISPLIT= 8 -2: X=0.53517000 Y=0.75000000 Z=0.61222000 -2: X=0.96483000 Y=0.25000000 Z=0.11222000 -2: X=0.03517000 Y=0.75000000 Z=0.88778000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.25564000 Y=0.25000000 Z=0.01784000 MULT= 4 ISPLIT= 8 -3: X=0.74436000 Y=0.75000000 Z=0.98216000 -3: X=0.75564000 Y=0.25000000 Z=0.48216000 -3: X=0.24436000 Y=0.75000000 Z=0.51784000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.29293000 Y=0.25000000 Z=0.69497000 MULT= 4 ISPLIT= 8 -4: X=0.70707000 Y=0.75000000 Z=0.30503000 -4: X=0.79293000 Y=0.25000000 Z=0.80503000 -4: X=0.20707000 Y=0.75000000 Z=0.19497000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.21184000 Y=0.25000000 Z=0.35428000 MULT= 4 ISPLIT= 8 -5: X=0.78816000 Y=0.75000000 Z=0.64572000 -5: X=0.71184000 Y=0.25000000 Z=0.14572000 -5: X=0.28816000 Y=0.75000000 Z=0.85428000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.10500000 Y=0.25000000 Z=0.24970000 MULT= 4 ISPLIT= 8 -6: X=0.89500000 Y=0.75000000 Z=0.75030000 -6: X=0.60500000 Y=0.25000000 Z=0.25030000 -6: X=0.39500000 Y=0.75000000 Z=0.74970000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.13550000 Y=0.25000000 Z=0.47510000 MULT= 4 ISPLIT= 8 -7: X=0.86450000 Y=0.75000000 Z=0.52490000 -7: X=0.63550000 Y=0.25000000 Z=0.02490000 -7: X=0.36450000 Y=0.75000000 Z=0.97510000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.19980000 Y=0.25000000 Z=0.83900000 MULT= 4 ISPLIT= 8 -8: X=0.80020000 Y=0.75000000 Z=0.16100000 -8: X=0.69980000 Y=0.25000000 Z=0.66100000 -8: X=0.30020000 Y=0.75000000 Z=0.33900000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.31830000 Y=0.25000000 Z=0.14700000 MULT= 4 ISPLIT= 8 -9: X=0.68170000 Y=0.75000000 Z=0.85300000 -9: X=0.81830000 Y=0.25000000 Z=0.35300000 -9: X=0.18170000 Y=0.75000000 Z=0.64700000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.36350000 Y=0.25000000 Z=0.56170000 MULT= 4 ISPLIT= 8 -10: X=0.63650000 Y=0.75000000 Z=0.43830000 -10: X=0.86350000 Y=0.25000000 Z=0.93830000 -10: X=0.13650000 Y=0.75000000 Z=0.06170000 S NPT= 781 R0=.000100000 RMT= 2.12 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000