P LATTICE,NONEQUIV.ATOMS 8 6 Pm MODE OF CALC=RELA unit=bohr 10.397273 9.796340 5.986652 90.000000 90.000000 90.326000 ATOM -1: X=0.00070000 Y=0.65300000 Z=0.00000000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.60 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.49940000 Y=0.65600000 Z=0.50000000 MULT= 1 ISPLIT= 8 Ga NPT= 781 R0=.000050000 RMT= 1.95 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.67380000 Y=0.15530000 Z=0.00000000 MULT= 1 ISPLIT= 8 Ga NPT= 781 R0=.000050000 RMT= 1.95 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.16620000 Y=0.15270000 Z=0.50000000 MULT= 1 ISPLIT= 8 Ga NPT= 781 R0=.000050000 RMT= 1.95 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.14960000 Y=0.53940000 Z=0.50000000 MULT= 1 ISPLIT= 8 C NPT= 781 R0=.000100000 RMT= 1.70 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.50470000 Y=0.03660000 Z=0.50000000 MULT= 1 ISPLIT= 8 N NPT= 781 R0=.000100000 RMT= 1.68 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.69120000 Y=0.53970000 Z=0.00000000 MULT= 1 ISPLIT= 8 N NPT= 781 R0=.000100000 RMT= 1.68 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 N NPT= 781 R0=.000100000 RMT= 1.68 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000