P LATTICE,NONEQUIV.ATOMS 4 113 P-421m MODE OF CALC=RELA unit=bohr 11.876929 11.876929 16.618252 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -1: X=0.50000000 Y=0.50000000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.65715000 Y=0.15715000 Z=0.18250000 MULT= 4 ISPLIT= 8 -2: X=0.15715000 Y=0.34285000 Z=0.81750000 -2: X=0.34285000 Y=0.84285000 Z=0.18250000 -2: X=0.84285000 Y=0.65715000 Z=0.81750000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.74782000 Y=0.24782000 Z=0.49765000 MULT= 4 ISPLIT= 8 -3: X=0.24782000 Y=0.25218000 Z=0.50235000 -3: X=0.25218000 Y=0.75218000 Z=0.49765000 -3: X=0.75218000 Y=0.74782000 Z=0.50235000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.20550000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.00000000 Z=0.79450000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000