P LATTICE,NONEQUIV.ATOMS 5 4 P21 MODE OF CALC=RELA unit=bohr 18.194283 8.269442 8.388494 90.000000 90.000000 91.850000 ATOM -1: X=0.74500000 Y=0.26300000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.25500000 Y=0.73700000 Z=0.75000000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37900000 Y=0.25600000 Z=0.28300000 MULT= 2 ISPLIT= 8 -2: X=0.62100000 Y=0.74400000 Z=0.78300000 Pt NPT= 781 R0=.000005000 RMT= 2.32 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=0.00200000 Y=0.26800000 Z=0.70000000 MULT= 2 ISPLIT= 8 -3: X=0.99800000 Y=0.73200000 Z=0.20000000 Pt NPT= 781 R0=.000005000 RMT= 2.32 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 -4: X=0.12700000 Y=0.26500000 Z=0.23500000 MULT= 2 ISPLIT= 8 -4: X=0.87300000 Y=0.73500000 Z=0.73500000 Ge NPT= 781 R0=.000050000 RMT= 2.10 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 -5: X=0.49500000 Y=0.73700000 Z=0.30400000 MULT= 2 ISPLIT= 8 -5: X=0.50500000 Y=0.26300000 Z=0.80400000 Ge NPT= 781 R0=.000050000 RMT= 2.10 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000