P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 31.069176 6.381794 11.719515 90.000000 90.000000 90.000000 ATOM -1: X=0.00555000 Y=0.25000000 Z=0.69451000 MULT= 4 ISPLIT= 8 -1: X=0.99445000 Y=0.75000000 Z=0.30549000 -1: X=0.50555000 Y=0.25000000 Z=0.80549000 -1: X=0.49445000 Y=0.75000000 Z=0.19451000 Pt NPT= 781 R0=.000005000 RMT= 2.45 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=0.33027000 Y=0.25000000 Z=0.70838000 MULT= 4 ISPLIT= 8 -2: X=0.66973000 Y=0.75000000 Z=0.29162000 -2: X=0.83027000 Y=0.25000000 Z=0.79162000 -2: X=0.16973000 Y=0.75000000 Z=0.20838000 Pt NPT= 781 R0=.000005000 RMT= 2.45 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=0.07010000 Y=0.25000000 Z=0.05600000 MULT= 4 ISPLIT= 8 -3: X=0.92990000 Y=0.75000000 Z=0.94400000 -3: X=0.57010000 Y=0.25000000 Z=0.44400000 -3: X=0.42990000 Y=0.75000000 Z=0.55600000 Ge NPT= 781 R0=.000050000 RMT= 2.21 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=0.26970000 Y=0.25000000 Z=0.33850000 MULT= 4 ISPLIT= 8 -4: X=0.73030000 Y=0.75000000 Z=0.66150000 -4: X=0.76970000 Y=0.25000000 Z=0.16150000 -4: X=0.23030000 Y=0.75000000 Z=0.83850000 Ge NPT= 781 R0=.000050000 RMT= 2.21 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=0.38620000 Y=0.25000000 Z=0.08570000 MULT= 4 ISPLIT= 8 -5: X=0.61380000 Y=0.75000000 Z=0.91430000 -5: X=0.88620000 Y=0.25000000 Z=0.41430000 -5: X=0.11380000 Y=0.75000000 Z=0.58570000 Ge NPT= 781 R0=.000050000 RMT= 2.21 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000