 B O Ca La
   1.0
     8.1091143500000005    0.0000000000000000    0.0067235500000000
     0.0000000000000000   15.9800652500000009    0.0000000000000000
    -0.7111150400000000    0.0000000000000000    3.5338954500000002
 B O Ca La
   6  20   8   2
Direct
   0.4623525200000000  0.6955736400000000  0.0905879800000000
   0.9623525200000000  0.8044263600000000  0.0905879800000000
   0.8894716700000000  0.5000000000000000  0.7085130300000000
   0.9623525200000000  0.1955736400000000  0.0905879800000000
   0.4623525200000000  0.3044263600000000  0.0905879800000000
   0.3894716700000000  0.0000000000000000  0.7085130300000000
   0.4715918100000000  0.7710244200000000  0.2802571100000000
   0.1060305300000000  0.8523334499999999  0.0958985900000000
   0.9715918099999999  0.7289755800000000  0.2802571100000000
   0.8081554000000000  0.8315890900000000  0.8896826200000000
   0.3081554000000000  0.6684109100000000  0.8896826200000000
   0.3227512600000000  0.5000000000000000  0.4146510100000000
   0.4750610300000000  0.9246227900000000  0.7576885000000000
   0.9750610300000000  0.5753772100000000  0.7576885000000000
   0.7150578100000000  0.5000000000000000  0.6094243800000000
   0.6060305300000000  0.6476665500000001  0.0958985900000000
   0.9715918099999999  0.2710244200000000  0.2802571100000000
   0.6060305300000000  0.3523334500000000  0.0958985900000000
   0.4715918100000000  0.2289755800000000  0.2802571100000000
   0.3081554000000000  0.3315890900000000  0.8896826200000000
   0.8081554000000000  0.1684109100000000  0.8896826200000000
   0.8227512600000000  0.0000000000000000  0.4146510100000000
   0.9750610300000000  0.4246227900000000  0.7576885000000000
   0.4750610300000000  0.0753772100000000  0.7576885000000000
   0.2150578100000000  0.0000000000000000  0.6094243800000000
   0.1060305300000000  0.1476665500000000  0.0958985900000000
   0.2781976100000000  0.8185108600000000  0.6708506500000000
   0.7781976100000000  0.6814891400000000  0.6708506500000000
   0.1494019800000000  0.6142201300000000  0.3327598500000000
   0.6494019799999999  0.8857798700000000  0.3327598500000000
   0.7781976100000000  0.3185108600000000  0.6708506500000000
   0.2781976100000000  0.1814891400000000  0.6708506500000000
   0.6494019799999999  0.1142201300000000  0.3327598500000000
   0.1494019800000000  0.3857798700000000  0.3327598500000000
   0.5024374800000000  0.5000000000000000  0.9975609900000000
   0.0024374800000000  0.0000000000000000  0.9975609900000000