P LATTICE,NONEQUIV.ATOMS 6 19 P212121 MODE OF CALC=RELA unit=bohr 11.064347 17.177611 26.238847 90.000000 90.000000 90.000000 ATOM -1: X=0.15340000 Y=0.07880000 Z=0.33360000 MULT= 4 ISPLIT= 8 -1: X=0.34660000 Y=0.92120000 Z=0.83360000 -1: X=0.65340000 Y=0.42120000 Z=0.66640000 -1: X=0.84660000 Y=0.57880000 Z=0.16640000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.05030000 Y=0.13150000 Z=0.05590000 MULT= 4 ISPLIT= 8 -2: X=0.44970000 Y=0.86850000 Z=0.55590000 -2: X=0.55030000 Y=0.36850000 Z=0.94410000 -2: X=0.94970000 Y=0.63150000 Z=0.44410000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.29640000 Y=0.13350000 Z=0.59670000 MULT= 4 ISPLIT= 8 -3: X=0.20360000 Y=0.86650000 Z=0.09670000 -3: X=0.79640000 Y=0.36650000 Z=0.40330000 -3: X=0.70360000 Y=0.63350000 Z=0.90330000 Se NPT= 781 R0=.000050000 RMT= 2.21 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.40780000 Y=0.42540000 Z=0.42300000 MULT= 4 ISPLIT= 8 -4: X=0.09220000 Y=0.57460000 Z=0.92300000 -4: X=0.90780000 Y=0.07460000 Z=0.57700000 -4: X=0.59220000 Y=0.92540000 Z=0.07700000 Se NPT= 781 R0=.000050000 RMT= 2.21 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.63690000 Y=0.13670000 Z=0.17600000 MULT= 4 ISPLIT= 8 -5: X=0.86310000 Y=0.86330000 Z=0.67600000 -5: X=0.13690000 Y=0.36330000 Z=0.82400000 -5: X=0.36310000 Y=0.63670000 Z=0.32400000 Se NPT= 781 R0=.000050000 RMT= 2.21 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.37430000 Y=0.31010000 Z=0.11290000 MULT= 4 ISPLIT= 8 -6: X=0.12570000 Y=0.68990000 Z=0.61290000 -6: X=0.87430000 Y=0.18990000 Z=0.88710000 -6: X=0.62570000 Y=0.81010000 Z=0.38710000 Se NPT= 781 R0=.000050000 RMT= 2.21 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000