P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 30.207272 11.941179 20.777539 90.000000 90.000000 90.000000 ATOM -1: X=0.34361000 Y=0.25000000 Z=0.09158000 MULT= 4 ISPLIT= 8 -1: X=0.65639000 Y=0.75000000 Z=0.90842000 -1: X=0.84361000 Y=0.25000000 Z=0.40842000 -1: X=0.15639000 Y=0.75000000 Z=0.59158000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.16182000 Y=0.25000000 Z=0.06288000 MULT= 4 ISPLIT= 8 -2: X=0.83818000 Y=0.75000000 Z=0.93712000 -2: X=0.66182000 Y=0.25000000 Z=0.43712000 -2: X=0.33818000 Y=0.75000000 Z=0.56288000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.25609000 Y=0.25000000 Z=0.73979000 MULT= 4 ISPLIT= 8 -3: X=0.74391000 Y=0.75000000 Z=0.26021000 -3: X=0.75609000 Y=0.25000000 Z=0.76021000 -3: X=0.24391000 Y=0.75000000 Z=0.23979000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.20442000 Y=0.25000000 Z=0.40591000 MULT= 4 ISPLIT= 8 -4: X=0.79558000 Y=0.75000000 Z=0.59409000 -4: X=0.70442000 Y=0.25000000 Z=0.09409000 -4: X=0.29558000 Y=0.75000000 Z=0.90591000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.43929000 Y=0.25000000 Z=0.41361000 MULT= 4 ISPLIT= 8 -5: X=0.56071000 Y=0.75000000 Z=0.58639000 -5: X=0.93929000 Y=0.25000000 Z=0.08639000 -5: X=0.06071000 Y=0.75000000 Z=0.91361000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.00650000 Y=0.25000000 Z=0.67430000 MULT= 4 ISPLIT= 8 -6: X=0.99350000 Y=0.75000000 Z=0.32570000 -6: X=0.50650000 Y=0.25000000 Z=0.82570000 -6: X=0.49350000 Y=0.75000000 Z=0.17430000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000