P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 14.983639 45.969478 13.417056 90.000000 90.000000 90.000000 ATOM -1: X=0.02260000 Y=0.25000000 Z=0.03640000 MULT= 4 ISPLIT= 8 -1: X=0.97740000 Y=0.75000000 Z=0.96360000 -1: X=0.52260000 Y=0.25000000 Z=0.46360000 -1: X=0.47740000 Y=0.75000000 Z=0.53640000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.11840000 Y=0.09660000 Z=0.46150000 MULT= 8 ISPLIT= 8 -2: X=0.88160000 Y=0.90340000 Z=0.53850000 -2: X=0.61840000 Y=0.09660000 Z=0.03850000 -2: X=0.38160000 Y=0.90340000 Z=0.96150000 -2: X=0.38160000 Y=0.59660000 Z=0.96150000 -2: X=0.61840000 Y=0.40340000 Z=0.03850000 -2: X=0.88160000 Y=0.59660000 Z=0.53850000 -2: X=0.11840000 Y=0.40340000 Z=0.46150000 Pt NPT= 781 R0=.000005000 RMT= 2.50000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.17640000 Y=0.25000000 Z=0.64440000 MULT= 4 ISPLIT= 8 -3: X=0.82360000 Y=0.75000000 Z=0.35560000 -3: X=0.67640000 Y=0.25000000 Z=0.85560000 -3: X=0.32360000 Y=0.75000000 Z=0.14440000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.32120000 Y=0.17440000 Z=0.18290000 MULT= 8 ISPLIT= 8 -4: X=0.67880000 Y=0.82560000 Z=0.81710000 -4: X=0.82120000 Y=0.17440000 Z=0.31710000 -4: X=0.17880000 Y=0.82560000 Z=0.68290000 -4: X=0.17880000 Y=0.67440000 Z=0.68290000 -4: X=0.82120000 Y=0.32560000 Z=0.31710000 -4: X=0.67880000 Y=0.67440000 Z=0.81710000 -4: X=0.32120000 Y=0.32560000 Z=0.18290000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.32980000 Y=0.02160000 Z=0.18080000 MULT= 8 ISPLIT= 8 -5: X=0.67020000 Y=0.97840000 Z=0.81920000 -5: X=0.82980000 Y=0.02160000 Z=0.31920000 -5: X=0.17020000 Y=0.97840000 Z=0.68080000 -5: X=0.17020000 Y=0.52160000 Z=0.68080000 -5: X=0.82980000 Y=0.47840000 Z=0.31920000 -5: X=0.67020000 Y=0.52160000 Z=0.81920000 -5: X=0.32980000 Y=0.47840000 Z=0.18080000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.04100000 Y=0.61580000 Z=0.15140000 MULT= 8 ISPLIT= 8 -6: X=0.95900000 Y=0.38420000 Z=0.84860000 -6: X=0.54100000 Y=0.61580000 Z=0.34860000 -6: X=0.45900000 Y=0.38420000 Z=0.65140000 -6: X=0.45900000 Y=0.11580000 Z=0.65140000 -6: X=0.54100000 Y=0.88420000 Z=0.34860000 -6: X=0.95900000 Y=0.11580000 Z=0.84860000 -6: X=0.04100000 Y=0.88420000 Z=0.15140000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000