P LATTICE,NONEQUIV.ATOMS 4 218 P-43n MODE OF CALC=RELA unit=bohr 24.940606 24.940606 24.940606 90.000000 90.000000 90.000000 ATOM -1: X=0.06854000 Y=0.06854000 Z=0.06854000 MULT= 8 ISPLIT= 4 -1: X=0.56854000 Y=0.43146000 Z=0.43146000 -1: X=0.06854000 Y=0.93146000 Z=0.93146000 -1: X=0.93146000 Y=0.93146000 Z=0.06854000 -1: X=0.43146000 Y=0.43146000 Z=0.56854000 -1: X=0.43146000 Y=0.56854000 Z=0.43146000 -1: X=0.93146000 Y=0.06854000 Z=0.93146000 -1: X=0.56854000 Y=0.56854000 Z=0.56854000 Ge NPT= 781 R0=.000050000 RMT= 2.40 Z: 32.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -2: X=0.06273000 Y=0.42490000 Z=0.31760000 MULT=24 ISPLIT= 8 -2: X=0.92490000 Y=0.43727000 Z=0.18240000 -2: X=0.06273000 Y=0.57510000 Z=0.68240000 -2: X=0.31760000 Y=0.06273000 Z=0.42490000 -2: X=0.93727000 Y=0.57510000 Z=0.31760000 -2: X=0.07510000 Y=0.43727000 Z=0.81760000 -2: X=0.56273000 Y=0.18240000 Z=0.07510000 -2: X=0.07510000 Y=0.56273000 Z=0.18240000 -2: X=0.93727000 Y=0.42490000 Z=0.68240000 -2: X=0.68240000 Y=0.93727000 Z=0.42490000 -2: X=0.92490000 Y=0.56273000 Z=0.81760000 -2: X=0.43727000 Y=0.81760000 Z=0.07510000 -2: X=0.31760000 Y=0.93727000 Z=0.57510000 -2: X=0.43727000 Y=0.18240000 Z=0.92490000 -2: X=0.68240000 Y=0.06273000 Z=0.57510000 -2: X=0.56273000 Y=0.81760000 Z=0.92490000 -2: X=0.18240000 Y=0.92490000 Z=0.43727000 -2: X=0.42490000 Y=0.31760000 Z=0.06273000 -2: X=0.81760000 Y=0.07510000 Z=0.43727000 -2: X=0.57510000 Y=0.68240000 Z=0.06273000 -2: X=0.18240000 Y=0.07510000 Z=0.56273000 -2: X=0.57510000 Y=0.31760000 Z=0.93727000 -2: X=0.81760000 Y=0.92490000 Z=0.56273000 -2: X=0.42490000 Y=0.68240000 Z=0.93727000 Ge NPT= 781 R0=.000050000 RMT= 2.40 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=0.33184000 Y=0.33184000 Z=0.33184000 MULT= 8 ISPLIT= 4 -3: X=0.83184000 Y=0.16816000 Z=0.16816000 -3: X=0.33184000 Y=0.66816000 Z=0.66816000 -3: X=0.66816000 Y=0.66816000 Z=0.33184000 -3: X=0.16816000 Y=0.16816000 Z=0.83184000 -3: X=0.16816000 Y=0.83184000 Z=0.16816000 -3: X=0.66816000 Y=0.33184000 Z=0.66816000 -3: X=0.83184000 Y=0.83184000 Z=0.83184000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503 ATOM -4: X=0.06369000 Y=0.14048000 Z=0.33551000 MULT=24 ISPLIT= 8 -4: X=0.64048000 Y=0.43631000 Z=0.16449000 -4: X=0.06369000 Y=0.85952000 Z=0.66449000 -4: X=0.33551000 Y=0.06369000 Z=0.14048000 -4: X=0.93631000 Y=0.85952000 Z=0.33551000 -4: X=0.35952000 Y=0.43631000 Z=0.83551000 -4: X=0.56369000 Y=0.16449000 Z=0.35952000 -4: X=0.35952000 Y=0.56369000 Z=0.16449000 -4: X=0.93631000 Y=0.14048000 Z=0.66449000 -4: X=0.66449000 Y=0.93631000 Z=0.14048000 -4: X=0.64048000 Y=0.56369000 Z=0.83551000 -4: X=0.43631000 Y=0.83551000 Z=0.35952000 -4: X=0.33551000 Y=0.93631000 Z=0.85952000 -4: X=0.43631000 Y=0.16449000 Z=0.64048000 -4: X=0.66449000 Y=0.06369000 Z=0.85952000 -4: X=0.56369000 Y=0.83551000 Z=0.64048000 -4: X=0.16449000 Y=0.64048000 Z=0.43631000 -4: X=0.14048000 Y=0.33551000 Z=0.06369000 -4: X=0.83551000 Y=0.35952000 Z=0.43631000 -4: X=0.85952000 Y=0.66449000 Z=0.06369000 -4: X=0.16449000 Y=0.35952000 Z=0.56369000 -4: X=0.85952000 Y=0.33551000 Z=0.93631000 -4: X=0.83551000 Y=0.64048000 Z=0.56369000 -4: X=0.14048000 Y=0.66449000 Z=0.93631000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000