H LATTICE,NONEQUIV.ATOMS 10 189 P-62m MODE OF CALC=RELA unit=bohr 27.722282 27.722282 8.377156 90.000000 90.000000120.000000 ATOM -1: X=0.81900000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT= 8 -1: X=0.18100000 Y=0.18100000 Z=0.50000000 -1: X=0.00000000 Y=0.81900000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.00000000 MULT= 2 ISPLIT= 4 -2: X=0.66666667 Y=0.33333333 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.43900000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -3: X=0.56100000 Y=0.56100000 Z=0.00000000 -3: X=0.00000000 Y=0.43900000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.30 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.27700000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT= 8 -4: X=0.72300000 Y=0.72300000 Z=0.50000000 -4: X=0.00000000 Y=0.27700000 Z=0.50000000 Mg NPT= 781 R0=.000100000 RMT= 2.30 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -5: X=0.17900000 Y=0.37300000 Z=0.00000000 MULT= 6 ISPLIT= 8 -5: X=0.19400000 Y=0.82100000 Z=0.00000000 -5: X=0.37300000 Y=0.17900000 Z=0.00000000 -5: X=0.62700000 Y=0.80600000 Z=0.00000000 -5: X=0.80600000 Y=0.62700000 Z=0.00000000 -5: X=0.82100000 Y=0.19400000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.30 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.35700000 Y=0.48100000 Z=0.50000000 MULT= 6 ISPLIT= 8 -6: X=0.12400000 Y=0.64300000 Z=0.50000000 -6: X=0.48100000 Y=0.35700000 Z=0.50000000 -6: X=0.51900000 Y=0.87600000 Z=0.50000000 -6: X=0.87600000 Y=0.51900000 Z=0.50000000 -6: X=0.64300000 Y=0.12400000 Z=0.50000000 Mg NPT= 781 R0=.000100000 RMT= 2.30 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Mg NPT= 781 R0=.000100000 RMT= 2.30 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.17600000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -8: X=0.82400000 Y=0.82400000 Z=0.00000000 -8: X=0.00000000 Y=0.17600000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -9: X=0.17000000 Y=0.48000000 Z=0.50000000 MULT= 6 ISPLIT= 8 -9: X=0.31000000 Y=0.83000000 Z=0.50000000 -9: X=0.48000000 Y=0.17000000 Z=0.50000000 -9: X=0.52000000 Y=0.69000000 Z=0.50000000 -9: X=0.69000000 Y=0.52000000 Z=0.50000000 -9: X=0.83000000 Y=0.31000000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 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 -10: X=0.63800000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -10: X=0.36200000 Y=0.36200000 Z=0.00000000 -10: X=0.00000000 Y=0.63800000 Z=0.00000000 Ge NPT= 781 R0=.000050000 RMT= 2.50000 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000