P LATTICE,NONEQUIV.ATOMS 5 4 P21 MODE OF CALC=RELA unit=bohr 10.127042 10.127042 9.412726 90.000000 90.000000116.988000 ATOM -1: X=0.51880000 Y=0.16590000 Z=0.31450000 MULT= 2 ISPLIT= 8 -1: X=0.48120000 Y=0.83410000 Z=0.81450000 Si NPT= 781 R0=.000100000 RMT= 1.42 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.17620000 Y=0.51990000 Z=0.31600000 MULT= 2 ISPLIT= 8 -2: X=0.82380000 Y=0.48010000 Z=0.81600000 Ge NPT= 781 R0=.000050000 RMT= 1.75 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=0.57510000 Y=0.15370000 Z=0.65460000 MULT= 2 ISPLIT= 8 -3: X=0.42490000 Y=0.84630000 Z=0.15460000 N NPT= 781 R0=.000100000 RMT= 1.59 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.17420000 Y=0.58700000 Z=0.67520000 MULT= 2 ISPLIT= 8 -4: X=0.82580000 Y=0.41300000 Z=0.17520000 N NPT= 781 R0=.000100000 RMT= 1.59 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.26740000 Y=0.24830000 Z=0.24370000 MULT= 2 ISPLIT= 8 -5: X=0.73260000 Y=0.75170000 Z=0.74370000 O NPT= 781 R0=.000100000 RMT= 1.58 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000