P LATTICE,NONEQUIV.ATOMS 6 11 P21/m MODE OF CALC=RELA unit=bohr 15.554336 12.608253 12.715967 90.000000 90.000000108.220000 ATOM -1: X=0.55200000 Y=0.21800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.44800000 Y=0.78200000 Z=0.75000000 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 -2: X=0.06800000 Y=0.26800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.93200000 Y=0.73200000 Z=0.75000000 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 -3: X=0.70100000 Y=0.77400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.29900000 Y=0.22600000 Z=0.75000000 Ge NPT= 781 R0=.000050000 RMT= 2.22 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 -4: X=0.42400000 Y=0.60000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.57600000 Y=0.40000000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.91 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.87300000 Y=0.57900000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.12700000 Y=0.42100000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.91 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.23900000 Y=0.00500000 Z=0.00400000 MULT= 4 ISPLIT= 8 -6: X=0.76100000 Y=0.99500000 Z=0.99600000 -6: X=0.76100000 Y=0.99500000 Z=0.50400000 -6: X=0.23900000 Y=0.00500000 Z=0.49600000 S NPT= 781 R0=.000100000 RMT= 1.91 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000