P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 24.205502 8.182514 26.202943 90.000000 90.000000 90.000000 ATOM -1: X=0.27380000 Y=0.25000000 Z=0.29290000 MULT= 4 ISPLIT= 8 -1: X=0.72620000 Y=0.75000000 Z=0.70710000 -1: X=0.77380000 Y=0.25000000 Z=0.20710000 -1: X=0.22620000 Y=0.75000000 Z=0.79290000 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 -2: X=0.07270000 Y=0.25000000 Z=0.10550000 MULT= 4 ISPLIT= 8 -2: X=0.92730000 Y=0.75000000 Z=0.89450000 -2: X=0.57270000 Y=0.25000000 Z=0.39450000 -2: X=0.42730000 Y=0.75000000 Z=0.60550000 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 -3: X=0.35560000 Y=0.25000000 Z=0.00260000 MULT= 4 ISPLIT= 8 -3: X=0.64440000 Y=0.75000000 Z=0.99740000 -3: X=0.85560000 Y=0.25000000 Z=0.49740000 -3: X=0.14440000 Y=0.75000000 Z=0.50260000 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=0.05280000 Y=0.25000000 Z=0.70190000 MULT= 4 ISPLIT= 8 -4: X=0.94720000 Y=0.75000000 Z=0.29810000 -4: X=0.55280000 Y=0.25000000 Z=0.79810000 -4: X=0.44720000 Y=0.75000000 Z=0.20190000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.59580000 Y=0.25000000 Z=0.61600000 MULT= 4 ISPLIT= 8 -5: X=0.40420000 Y=0.75000000 Z=0.38400000 -5: X=0.09580000 Y=0.25000000 Z=0.88400000 -5: X=0.90420000 Y=0.75000000 Z=0.11600000 P NPT= 781 R0=.000100000 RMT= 2.12 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.24040000 Y=0.25000000 Z=0.62830000 MULT= 4 ISPLIT= 8 -6: X=0.75960000 Y=0.75000000 Z=0.37170000 -6: X=0.74040000 Y=0.25000000 Z=0.87170000 -6: X=0.25960000 Y=0.75000000 Z=0.12830000 P NPT= 781 R0=.000100000 RMT= 2.12 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.04570000 Y=0.25000000 Z=0.35430000 MULT= 4 ISPLIT= 8 -7: X=0.95430000 Y=0.75000000 Z=0.64570000 -7: X=0.54570000 Y=0.25000000 Z=0.14570000 -7: X=0.45430000 Y=0.75000000 Z=0.85430000 P NPT= 781 R0=.000100000 RMT= 2.12 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000