P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 16.809114 12.440067 21.242411 90.000000 90.000000 90.000000 ATOM -1: X=0.48420000 Y=0.25000000 Z=0.80660000 MULT= 4 ISPLIT= 8 -1: X=0.51580000 Y=0.75000000 Z=0.19340000 -1: X=0.98420000 Y=0.25000000 Z=0.69340000 -1: X=0.01580000 Y=0.75000000 Z=0.30660000 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=0.14770000 Y=0.25000000 Z=0.09300000 MULT= 4 ISPLIT= 8 -2: X=0.85230000 Y=0.75000000 Z=0.90700000 -2: X=0.64770000 Y=0.25000000 Z=0.40700000 -2: X=0.35230000 Y=0.75000000 Z=0.59300000 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=0.06410000 Y=0.25000000 Z=0.40740000 MULT= 4 ISPLIT= 8 -3: X=0.93590000 Y=0.75000000 Z=0.59260000 -3: X=0.56410000 Y=0.25000000 Z=0.09260000 -3: X=0.43590000 Y=0.75000000 Z=0.90740000 Ge NPT= 781 R0=.000050000 RMT= 2.42 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.30110000 Y=0.25000000 Z=0.54830000 MULT= 4 ISPLIT= 8 -4: X=0.69890000 Y=0.75000000 Z=0.45170000 -4: X=0.80110000 Y=0.25000000 Z=0.95170000 -4: X=0.19890000 Y=0.75000000 Z=0.04830000 Ge NPT= 781 R0=.000050000 RMT= 2.42 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.30590000 Y=0.05410000 Z=0.34990000 MULT= 8 ISPLIT= 8 -5: X=0.69410000 Y=0.94590000 Z=0.65010000 -5: X=0.80590000 Y=0.05410000 Z=0.15010000 -5: X=0.19410000 Y=0.94590000 Z=0.84990000 -5: X=0.19410000 Y=0.55410000 Z=0.84990000 -5: X=0.80590000 Y=0.44590000 Z=0.15010000 -5: X=0.69410000 Y=0.55410000 Z=0.65010000 -5: X=0.30590000 Y=0.44590000 Z=0.34990000 Ge NPT= 781 R0=.000050000 RMT= 2.42 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000