P LATTICE,NONEQUIV.ATOMS 9 19 P212121 MODE OF CALC=RELA unit=bohr 16.361249 16.705179 28.854228 90.000000 90.000000 90.000000 ATOM -1: X=0.48090000 Y=0.03690000 Z=0.20860000 MULT= 4 ISPLIT= 8 -1: X=0.01910000 Y=0.96310000 Z=0.70860000 -1: X=0.98090000 Y=0.46310000 Z=0.79140000 -1: X=0.51910000 Y=0.53690000 Z=0.29140000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.14780000 Y=0.15670000 Z=0.01020000 MULT= 4 ISPLIT= 8 -2: X=0.35220000 Y=0.84330000 Z=0.51020000 -2: X=0.64780000 Y=0.34330000 Z=0.98980000 -2: X=0.85220000 Y=0.65670000 Z=0.48980000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.01540000 Y=0.34880000 Z=0.26200000 MULT= 4 ISPLIT= 8 -3: X=0.48460000 Y=0.65120000 Z=0.76200000 -3: X=0.51540000 Y=0.15120000 Z=0.73800000 -3: X=0.98460000 Y=0.84880000 Z=0.23800000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.18970000 Y=0.32030000 Z=0.53250000 MULT= 4 ISPLIT= 8 -4: X=0.31030000 Y=0.67970000 Z=0.03250000 -4: X=0.68970000 Y=0.17970000 Z=0.46750000 -4: X=0.81030000 Y=0.82030000 Z=0.96750000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.28070000 Y=0.07110000 Z=0.62690000 MULT= 4 ISPLIT= 8 -5: X=0.21930000 Y=0.92890000 Z=0.12690000 -5: X=0.78070000 Y=0.42890000 Z=0.37310000 -5: X=0.71930000 Y=0.57110000 Z=0.87310000 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 -6: X=0.37820000 Y=0.35630000 Z=0.12920000 MULT= 4 ISPLIT= 8 -6: X=0.12180000 Y=0.64370000 Z=0.62920000 -6: X=0.87820000 Y=0.14370000 Z=0.87080000 -6: X=0.62180000 Y=0.85630000 Z=0.37080000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.17060000 Y=0.63060000 Z=0.36500000 MULT= 4 ISPLIT= 8 -7: X=0.32940000 Y=0.36940000 Z=0.86500000 -7: X=0.67060000 Y=0.86940000 Z=0.63500000 -7: X=0.82940000 Y=0.13060000 Z=0.13500000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.37170000 Y=0.22600000 Z=0.36710000 MULT= 4 ISPLIT= 8 -8: X=0.12830000 Y=0.77400000 Z=0.86710000 -8: X=0.87170000 Y=0.27400000 Z=0.63290000 -8: X=0.62830000 Y=0.72600000 Z=0.13290000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.01530000 Y=0.03860000 Z=0.41660000 MULT= 4 ISPLIT= 8 -9: X=0.48470000 Y=0.96140000 Z=0.91660000 -9: X=0.51530000 Y=0.46140000 Z=0.58340000 -9: X=0.98470000 Y=0.53860000 Z=0.08340000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000