P LATTICE,NONEQUIV.ATOMS 8 62 Pnma MODE OF CALC=RELA unit=bohr 14.695455 44.588088 16.181914 90.000000 90.000000 90.000000 ATOM -1: X=0.02881000 Y=0.66236000 Z=0.18027000 MULT= 8 ISPLIT= 8 -1: X=0.97119000 Y=0.33764000 Z=0.81973000 -1: X=0.52881000 Y=0.66236000 Z=0.31973000 -1: X=0.47119000 Y=0.33764000 Z=0.68027000 -1: X=0.47119000 Y=0.16236000 Z=0.68027000 -1: X=0.52881000 Y=0.83764000 Z=0.31973000 -1: X=0.97119000 Y=0.16236000 Z=0.81973000 -1: X=0.02881000 Y=0.83764000 Z=0.18027000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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=0.13512000 Y=0.13994000 Z=0.31686000 MULT= 8 ISPLIT= 8 -2: X=0.86488000 Y=0.86006000 Z=0.68314000 -2: X=0.63512000 Y=0.13994000 Z=0.18314000 -2: X=0.36488000 Y=0.86006000 Z=0.81686000 -2: X=0.36488000 Y=0.63994000 Z=0.81686000 -2: X=0.63512000 Y=0.36006000 Z=0.18314000 -2: X=0.86488000 Y=0.63994000 Z=0.68314000 -2: X=0.13512000 Y=0.36006000 Z=0.31686000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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 -3: X=0.33814000 Y=0.51827000 Z=0.17850000 MULT= 8 ISPLIT= 8 -3: X=0.66186000 Y=0.48173000 Z=0.82150000 -3: X=0.83814000 Y=0.51827000 Z=0.32150000 -3: X=0.16186000 Y=0.48173000 Z=0.67850000 -3: X=0.16186000 Y=0.01827000 Z=0.67850000 -3: X=0.83814000 Y=0.98173000 Z=0.32150000 -3: X=0.66186000 Y=0.01827000 Z=0.82150000 -3: X=0.33814000 Y=0.98173000 Z=0.17850000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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 -4: X=0.30118000 Y=0.25000000 Z=0.02850000 MULT= 4 ISPLIT= 8 -4: X=0.69882000 Y=0.75000000 Z=0.97150000 -4: X=0.80118000 Y=0.25000000 Z=0.47150000 -4: X=0.19882000 Y=0.75000000 Z=0.52850000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 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 -5: X=0.00456000 Y=0.05218000 Z=0.03745000 MULT= 8 ISPLIT= 8 -5: X=0.99544000 Y=0.94782000 Z=0.96255000 -5: X=0.50456000 Y=0.05218000 Z=0.46255000 -5: X=0.49544000 Y=0.94782000 Z=0.53745000 -5: X=0.49544000 Y=0.55218000 Z=0.53745000 -5: X=0.50456000 Y=0.44782000 Z=0.46255000 -5: X=0.99544000 Y=0.55218000 Z=0.96255000 -5: X=0.00456000 Y=0.44782000 Z=0.03745000 Ge NPT= 781 R0=.000050000 RMT= 2.37 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.19950000 Y=0.59672000 Z=0.47179000 MULT= 8 ISPLIT= 8 -6: X=0.80050000 Y=0.40328000 Z=0.52821000 -6: X=0.69950000 Y=0.59672000 Z=0.02821000 -6: X=0.30050000 Y=0.40328000 Z=0.97179000 -6: X=0.30050000 Y=0.09672000 Z=0.97179000 -6: X=0.69950000 Y=0.90328000 Z=0.02821000 -6: X=0.80050000 Y=0.09672000 Z=0.52821000 -6: X=0.19950000 Y=0.90328000 Z=0.47179000 Ge NPT= 781 R0=.000050000 RMT= 2.37 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.17610000 Y=0.25000000 Z=0.59098000 MULT= 4 ISPLIT= 8 -7: X=0.82390000 Y=0.75000000 Z=0.40902000 -7: X=0.67610000 Y=0.25000000 Z=0.90902000 -7: X=0.32390000 Y=0.75000000 Z=0.09098000 Ge NPT= 781 R0=.000050000 RMT= 2.37 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.40671000 Y=0.25000000 Z=0.38293000 MULT= 4 ISPLIT= 8 -8: X=0.59329000 Y=0.75000000 Z=0.61707000 -8: X=0.90671000 Y=0.25000000 Z=0.11707000 -8: X=0.09329000 Y=0.75000000 Z=0.88293000 Ge NPT= 781 R0=.000050000 RMT= 2.37 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000