H LATTICE,NONEQUIV.ATOMS 4 190 P-62c MODE OF CALC=RELA unit=bohr 14.728525 14.728525 13.025882 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 4 -1: X=0.00000000 Y=0.00000000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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 -2: X=0.33333333 Y=0.66666667 Z=0.03800000 MULT= 4 ISPLIT= 4 -2: X=0.33333334 Y=0.66666667 Z=0.46200000 -2: X=0.66666667 Y=0.33333333 Z=0.53800000 -2: X=0.66666666 Y=0.33333333 Z=0.96200000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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=0.28900000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -3: X=0.71100000 Y=0.71100000 Z=0.50000000 -3: X=0.00000000 Y=0.28900000 Z=0.50000000 -3: X=0.00000000 Y=0.28900000 Z=0.00000000 -3: X=0.28900000 Y=0.00000000 Z=0.50000000 -3: X=0.71100000 Y=0.71100000 Z=0.00000000 Mg NPT= 781 R0=.000100000 RMT= 2.50 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=0.39900000 Y=0.38000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -4: X=0.98100000 Y=0.60100000 Z=0.25000000 -4: X=0.38000000 Y=0.39900000 Z=0.75000000 -4: X=0.62000000 Y=0.01900000 Z=0.25000000 -4: X=0.01900000 Y=0.62000000 Z=0.75000000 -4: X=0.60100000 Y=0.98100000 Z=0.75000000 Mg NPT= 781 R0=.000100000 RMT= 2.50 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000