LTO_RuO2                                                                       
P   LATTICE,NONEQUIV.ATOMS: 361_P1                                             
MODE OF CALC=RELA unit=bohr                                                    
 39.530992 10.344361  9.740215 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12744000 Y=0.83669000 Z=0.20236000
          MULT= 1          ISPLIT= 8
O 1        NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.48564000 Y=0.72329000 Z=0.20236000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30654000 Y=0.27999000 Z=0.70236000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.49956000 Z=0.18710000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.16914000 Y=0.93989000 Z=0.69296000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.34823000 Y=0.38319000 Z=0.19296000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.06042000 Y=0.67081000 Z=0.62226000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.23952000 Y=0.11411000 Z=0.12226000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.41862000 Y=0.55740000 Z=0.62226000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.12744000 Y=0.33669000 Z=0.30936000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.30654000 Y=0.77999000 Z=0.80936000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.48564000 Y=0.22329000 Z=0.30936000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.34823000 Y=0.88319000 Z=0.31876000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -14: X=0.16914000 Y=0.43989000 Z=0.81876000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -15: X=0.00000000 Y=0.99956000 Z=0.31290000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -16: X=0.23952000 Y=0.61411000 Z=0.38946000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -17: X=0.06042000 Y=0.17081000 Z=0.88946000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -18: X=0.41862000 Y=0.05740000 Z=0.88946000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -19: X=0.51200000 Y=0.99704000 Z=0.00586000
          MULT= 1          ISPLIT= 8
Ta         NPT=  781  R0=0.00000500 RMT=    1.8800   Z: 73.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -20: X=0.26481000 Y=0.51721000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=0.00010000 RMT=    1.8300   Z:  3.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -21: X=0.08572000 Y=0.07392000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=0.00010000 RMT=    1.8300   Z:  3.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -22: X=0.44391000 Y=0.96051000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=0.00010000 RMT=    1.8300   Z:  3.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -23: X=0.15380000 Y=0.11044000 Z=0.00586000
          MULT= 1          ISPLIT= 8
Ta         NPT=  781  R0=0.00000500 RMT=    1.8800   Z: 73.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -24: X=0.33290000 Y=0.55374000 Z=0.50586000
          MULT= 1          ISPLIT= 8
Ta         NPT=  781  R0=0.00000500 RMT=    1.8800   Z: 73.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -25: X=0.44391000 Y=0.46051000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=0.00010000 RMT=    1.8300   Z:  3.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -26: X=0.26481000 Y=0.01721000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=0.00010000 RMT=    1.8300   Z:  3.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -27: X=0.15380000 Y=0.61044000 Z=0.50586000
          MULT= 1          ISPLIT= 8
Ta         NPT=  781  R0=0.00000500 RMT=    1.8800   Z: 73.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -28: X=0.33290000 Y=0.05374000 Z=0.00586000
          MULT= 1          ISPLIT= 8
Ta         NPT=  781  R0=0.00000500 RMT=    1.8800   Z: 73.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -29: X=0.51200000 Y=0.49704000 Z=0.50586000
          MULT= 1          ISPLIT= 8
Ta         NPT=  781  R0=0.00000500 RMT=    1.8800   Z: 73.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -30: X=0.08572000 Y=0.57392000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Li         NPT=  781  R0=0.00010000 RMT=    1.8300   Z:  3.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -31: X=0.60463000 Y=0.28227000 Z=0.21342000
          MULT= 1          ISPLIT= 8
Ru         NPT=  781  R0=0.00001000 RMT=    1.9300   Z: 44.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -32: X=0.69748000 Y=0.28220000 Z=0.21901000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -33: X=0.60352000 Y=0.50187000 Z=0.51951000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -34: X=0.60353000 Y=0.05124000 Z=0.50986000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -35: X=0.60243000 Y=0.27084000 Z=0.81595000
          MULT= 1          ISPLIT= 8
Ru         NPT=  781  R0=0.00001000 RMT=    1.9300   Z: 44.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -36: X=0.69528000 Y=0.27076000 Z=0.82154000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=0.00010000 RMT=    1.6700   Z:  8.0                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   1      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       1
