P LATTICE,NONEQUIV.ATOMS 2 96 P43212 MODE OF CALC=RELA unit=bohr 10.811501 10.811501 12.429863 90.000000 90.000000 90.000000 ATOM -1: X=0.09400000 Y=0.09400000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.40600000 Y=0.59400000 Z=0.75000000 -1: X=0.59400000 Y=0.40600000 Z=0.25000000 -1: X=0.90600000 Y=0.90600000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.72 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068 0.7071068 0.0000000-0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.37100000 Y=0.17800000 Z=0.27100000 MULT= 8 ISPLIT= 8 -2: X=0.32200000 Y=0.87100000 Z=0.02100000 -2: X=0.87100000 Y=0.32200000 Z=0.97900000 -2: X=0.62900000 Y=0.82200000 Z=0.77100000 -2: X=0.17800000 Y=0.37100000 Z=0.72900000 -2: X=0.67800000 Y=0.12900000 Z=0.52100000 -2: X=0.12900000 Y=0.67800000 Z=0.47900000 -2: X=0.82200000 Y=0.62900000 Z=0.22900000 Ge NPT= 781 R0=.000050000 RMT= 1.72 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000