P LATTICE,NONEQUIV.ATOMS 8 59 Pmmn MODE OF CALC=RELA unit=bohr 7.560227 33.928143 17.175721 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.06600000 Z=0.11430000 MULT= 4 ISPLIT= 8 -1: X=0.75000000 Y=0.93400000 Z=0.88570000 -1: X=0.75000000 Y=0.56600000 Z=0.88570000 -1: X=0.25000000 Y=0.43400000 Z=0.11430000 Sr NPT= 781 R0=.000010000 RMT= 2.35 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.60980000 Z=0.53600000 MULT= 4 ISPLIT= 8 -2: X=0.75000000 Y=0.39020000 Z=0.46400000 -2: X=0.75000000 Y=0.10980000 Z=0.46400000 -2: X=0.25000000 Y=0.89020000 Z=0.53600000 Sr NPT= 781 R0=.000010000 RMT= 2.35 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.25000000 Y=0.75000000 Z=0.84140000 MULT= 2 ISPLIT= 8 -3: X=0.75000000 Y=0.25000000 Z=0.15860000 Sr NPT= 781 R0=.000010000 RMT= 2.35 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 -4: X=0.25000000 Y=0.25000000 Z=0.75720000 MULT= 2 ISPLIT= 8 -4: X=0.75000000 Y=0.75000000 Z=0.24280000 Sr NPT= 781 R0=.000010000 RMT= 2.35 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=0.25000000 Y=0.05550000 Z=0.73800000 MULT= 4 ISPLIT= 8 -5: X=0.75000000 Y=0.94450000 Z=0.26200000 -5: X=0.75000000 Y=0.55550000 Z=0.26200000 -5: X=0.25000000 Y=0.44450000 Z=0.73800000 Ge NPT= 781 R0=.000050000 RMT= 1.90 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.25000000 Y=0.61950000 Z=0.14370000 MULT= 4 ISPLIT= 8 -6: X=0.75000000 Y=0.38050000 Z=0.85630000 -6: X=0.75000000 Y=0.11950000 Z=0.85630000 -6: X=0.25000000 Y=0.88050000 Z=0.14370000 Ge NPT= 781 R0=.000050000 RMT= 1.90 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.25000000 Y=0.25000000 Z=0.41930000 MULT= 2 ISPLIT= 8 -7: X=0.75000000 Y=0.75000000 Z=0.58070000 Ge NPT= 781 R0=.000050000 RMT= 1.90 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.25000000 Y=0.16670000 Z=0.29430000 MULT= 4 ISPLIT= 8 -8: X=0.75000000 Y=0.83330000 Z=0.70570000 -8: X=0.75000000 Y=0.66670000 Z=0.70570000 -8: X=0.25000000 Y=0.33330000 Z=0.29430000 N NPT= 781 R0=.000100000 RMT= 1.63 Z: 7.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000