P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 24.962904 8.600900 25.998852 90.000000 90.000000 90.000000 ATOM -1: X=0.17160000 Y=0.25000000 Z=0.01810000 MULT= 4 ISPLIT= 8 -1: X=0.82840000 Y=0.75000000 Z=0.98190000 -1: X=0.67160000 Y=0.25000000 Z=0.48190000 -1: X=0.32840000 Y=0.75000000 Z=0.51810000 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=0.01180000 Y=0.25000000 Z=0.67380000 MULT= 4 ISPLIT= 8 -2: X=0.98820000 Y=0.75000000 Z=0.32620000 -2: X=0.51180000 Y=0.25000000 Z=0.82620000 -2: X=0.48820000 Y=0.75000000 Z=0.17380000 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=0.25580000 Y=0.25000000 Z=0.30040000 MULT= 4 ISPLIT= 8 -3: X=0.74420000 Y=0.75000000 Z=0.69960000 -3: X=0.75580000 Y=0.25000000 Z=0.19960000 -3: X=0.24420000 Y=0.75000000 Z=0.80040000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.13700000 Y=0.25000000 Z=0.49560000 MULT= 4 ISPLIT= 8 -4: X=0.86300000 Y=0.75000000 Z=0.50440000 -4: X=0.63700000 Y=0.25000000 Z=0.00440000 -4: X=0.36300000 Y=0.75000000 Z=0.99560000 Cl NPT= 781 R0=.000100000 RMT= 2.28 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.44200000 Y=0.25000000 Z=0.36600000 MULT= 4 ISPLIT= 8 -5: X=0.55800000 Y=0.75000000 Z=0.63400000 -5: X=0.94200000 Y=0.25000000 Z=0.13400000 -5: X=0.05800000 Y=0.75000000 Z=0.86600000 Cl NPT= 781 R0=.000100000 RMT= 2.28 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.27400000 Y=0.25000000 Z=0.70900000 MULT= 4 ISPLIT= 8 -6: X=0.72600000 Y=0.75000000 Z=0.29100000 -6: X=0.77400000 Y=0.25000000 Z=0.79100000 -6: X=0.22600000 Y=0.75000000 Z=0.20900000 Cl NPT= 781 R0=.000100000 RMT= 2.28 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000