P LATTICE,NONEQUIV.ATOMS 10 19 P212121 MODE OF CALC=RELA unit=bohr 9.077677 19.287112 20.296037 90.000000 90.000000 90.000000 ATOM -1: X=0.29860000 Y=0.11393000 Z=0.56729000 MULT= 4 ISPLIT= 8 -1: X=0.20140000 Y=0.88607000 Z=0.06729000 -1: X=0.79860000 Y=0.38607000 Z=0.43271000 -1: X=0.70140000 Y=0.61393000 Z=0.93271000 Ge NPT= 781 R0=.000050000 RMT= 1.68 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 -2: X=0.26850000 Y=0.19887000 Z=0.07998000 MULT= 4 ISPLIT= 8 -2: X=0.23150000 Y=0.80113000 Z=0.57998000 -2: X=0.76850000 Y=0.30113000 Z=0.92002000 -2: X=0.73150000 Y=0.69887000 Z=0.42002000 Ge NPT= 781 R0=.000050000 RMT= 1.68 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 -3: X=0.19420000 Y=0.53100000 Z=0.18650000 MULT= 4 ISPLIT= 8 -3: X=0.30580000 Y=0.46900000 Z=0.68650000 -3: X=0.69420000 Y=0.96900000 Z=0.81350000 -3: X=0.80580000 Y=0.03100000 Z=0.31350000 K NPT= 781 R0=.000050000 RMT= 2.47 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00200000 Y=0.29110000 Z=0.33310000 MULT= 4 ISPLIT= 8 -4: X=0.49800000 Y=0.70890000 Z=0.83310000 -4: X=0.50200000 Y=0.20890000 Z=0.66690000 -4: X=0.99800000 Y=0.79110000 Z=0.16690000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.35800000 Y=0.14060000 Z=0.40790000 MULT= 4 ISPLIT= 8 -5: X=0.14200000 Y=0.85940000 Z=0.90790000 -5: X=0.85800000 Y=0.35940000 Z=0.59210000 -5: X=0.64200000 Y=0.64060000 Z=0.09210000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.44300000 Y=0.37750000 Z=0.40360000 MULT= 4 ISPLIT= 8 -6: X=0.05700000 Y=0.62250000 Z=0.90360000 -6: X=0.94300000 Y=0.12250000 Z=0.59640000 -6: X=0.55700000 Y=0.87750000 Z=0.09640000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.42200000 Y=0.24800000 Z=0.21540000 MULT= 4 ISPLIT= 8 -7: X=0.07800000 Y=0.75200000 Z=0.71540000 -7: X=0.92200000 Y=0.25200000 Z=0.78460000 -7: X=0.57800000 Y=0.74800000 Z=0.28460000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.02800000 Y=0.31610000 Z=0.03330000 MULT= 4 ISPLIT= 8 -8: X=0.47200000 Y=0.68390000 Z=0.53330000 -8: X=0.52800000 Y=0.18390000 Z=0.96670000 -8: X=0.97200000 Y=0.81610000 Z=0.46670000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.09600000 Y=0.05140000 Z=0.09170000 MULT= 4 ISPLIT= 8 -9: X=0.40400000 Y=0.94860000 Z=0.59170000 -9: X=0.59600000 Y=0.44860000 Z=0.90830000 -9: X=0.90400000 Y=0.55140000 Z=0.40830000 O NPT= 781 R0=.000100000 RMT= 1.46 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.31000000 Y=0.26800000 Z=0.34220000 MULT= 4 ISPLIT= 8 -10: X=0.19000000 Y=0.73200000 Z=0.84220000 -10: X=0.81000000 Y=0.23200000 Z=0.65780000 -10: X=0.69000000 Y=0.76800000 Z=0.15780000 B NPT= 781 R0=.000100000 RMT= 1.26 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000