P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 23.130248 14.265543 12.952183 90.000000 90.000000 90.000000 ATOM -1: X=0.21600000 Y=0.25000000 Z=0.62700000 MULT= 4 ISPLIT= 8 -1: X=0.78400000 Y=0.75000000 Z=0.37300000 -1: X=0.71600000 Y=0.25000000 Z=0.87300000 -1: X=0.28400000 Y=0.75000000 Z=0.12700000 Pt NPT= 781 R0=.000005000 RMT= 2.38 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.21800000 Y=0.25000000 Z=0.12200000 MULT= 4 ISPLIT= 8 -2: X=0.78200000 Y=0.75000000 Z=0.87800000 -2: X=0.71800000 Y=0.25000000 Z=0.37800000 -2: X=0.28200000 Y=0.75000000 Z=0.62200000 Pt NPT= 781 R0=.000005000 RMT= 2.38 Z: 78.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.41100000 Y=0.05900000 Z=0.12700000 MULT= 8 ISPLIT= 8 -3: X=0.58900000 Y=0.94100000 Z=0.87300000 -3: X=0.91100000 Y=0.05900000 Z=0.37300000 -3: X=0.08900000 Y=0.94100000 Z=0.62700000 -3: X=0.08900000 Y=0.55900000 Z=0.62700000 -3: X=0.91100000 Y=0.44100000 Z=0.37300000 -3: X=0.58900000 Y=0.55900000 Z=0.87300000 -3: X=0.41100000 Y=0.44100000 Z=0.12700000 Pt NPT= 781 R0=.000005000 RMT= 2.38 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=0.09100000 Y=0.55900000 Z=0.12300000 MULT= 8 ISPLIT= 8 -4: X=0.90900000 Y=0.44100000 Z=0.87700000 -4: X=0.59100000 Y=0.55900000 Z=0.37700000 -4: X=0.40900000 Y=0.44100000 Z=0.62300000 -4: X=0.40900000 Y=0.05900000 Z=0.62300000 -4: X=0.59100000 Y=0.94100000 Z=0.37700000 -4: X=0.90900000 Y=0.05900000 Z=0.87700000 -4: X=0.09100000 Y=0.94100000 Z=0.12300000 Pt NPT= 781 R0=.000005000 RMT= 2.38 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 -5: X=0.00700000 Y=0.25000000 Z=0.62700000 MULT= 4 ISPLIT= 8 -5: X=0.99300000 Y=0.75000000 Z=0.37300000 -5: X=0.50700000 Y=0.25000000 Z=0.87300000 -5: X=0.49300000 Y=0.75000000 Z=0.12700000 Ge NPT= 781 R0=.000050000 RMT= 2.16 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 -6: X=0.01100000 Y=0.25000000 Z=0.12200000 MULT= 4 ISPLIT= 8 -6: X=0.98900000 Y=0.75000000 Z=0.87800000 -6: X=0.51100000 Y=0.25000000 Z=0.37800000 -6: X=0.48900000 Y=0.75000000 Z=0.62200000 Ge NPT= 781 R0=.000050000 RMT= 2.16 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 -7: X=0.24400000 Y=0.03100000 Z=0.37500000 MULT= 8 ISPLIT= 8 -7: X=0.75600000 Y=0.96900000 Z=0.62500000 -7: X=0.74400000 Y=0.03100000 Z=0.12500000 -7: X=0.25600000 Y=0.96900000 Z=0.87500000 -7: X=0.25600000 Y=0.53100000 Z=0.87500000 -7: X=0.74400000 Y=0.46900000 Z=0.12500000 -7: X=0.75600000 Y=0.53100000 Z=0.62500000 -7: X=0.24400000 Y=0.46900000 Z=0.37500000 Ge NPT= 781 R0=.000050000 RMT= 2.16 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000