P LATTICE,NONEQUIV.ATOMS 2 58 Pnnm MODE OF CALC=RELA unit=bohr 7.941385 8.031147 5.298603 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.76 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=0.29200000 Y=0.30400000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.70800000 Y=0.69600000 Z=0.00000000 -2: X=0.20800000 Y=0.80400000 Z=0.50000000 -2: X=0.79200000 Y=0.19600000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000