P LATTICE,NONEQUIV.ATOMS 12 1 P1 MODE OF CALC=RELA unit=bohr 9.146274 10.359479 15.216075 91.570000 93.520000108.140000 ATOM -1: X=0.33500000 Y=0.03400000 Z=0.24520000 MULT= 1 ISPLIT= 8 Pt NPT= 781 R0=.000005000 RMT= 2.50000 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 -2: X=0.18720000 Y=0.74971000 Z=0.80357000 MULT= 1 ISPLIT= 8 Pt NPT= 781 R0=.000005000 RMT= 2.50000 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.83 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 -4: X=0.90000000 Y=0.36600000 Z=0.91380000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.83 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 -5: X=0.68500000 Y=0.05700000 Z=0.47630000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.83 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 -6: X=0.38800000 Y=0.48400000 Z=0.64360000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.83 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 -7: X=0.00600000 Y=0.64300000 Z=0.32030000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.83 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 -8: X=0.51500000 Y=0.79000000 Z=0.05050000 MULT= 1 ISPLIT= 8 Si NPT= 781 R0=.000100000 RMT= 1.83 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 -9: X=0.82800000 Y=0.72500000 Z=0.56250000 MULT= 1 ISPLIT= 8 P NPT= 781 R0=.000100000 RMT= 1.93 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.13000000 Y=0.30200000 Z=0.40790000 MULT= 1 ISPLIT= 8 P NPT= 781 R0=.000100000 RMT= 1.93 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.63300000 Y=0.43100000 Z=0.13050000 MULT= 1 ISPLIT= 8 P NPT= 781 R0=.000100000 RMT= 1.93 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.52500000 Y=0.15200000 Z=0.72590000 MULT= 1 ISPLIT= 8 P NPT= 781 R0=.000100000 RMT= 1.93 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000