 Ca Si B H O
   1.0
     4.8242934799999997    0.0000000000000000   -0.0050575800000000
     0.0000000000000000    7.5799629900000003    0.0000000000000000
    -0.0467586700000000    0.0000000000000000    9.6225613499999998
 Ca Si B H O
   4   4   4   4  20
Direct
   0.4915772900000000  0.1062835100000000  0.3367467000000000
   0.5084227100000001  0.8937164900000000  0.6632533000000000
   0.4915772900000000  0.3937164900000000  0.8367467000000000
   0.5084227100000001  0.6062835100000000  0.1632533000000000
   0.0299030800000000  0.7315612899999999  0.9162423300000000
   0.0299030800000000  0.7684387100000000  0.4162423300000000
   0.9700969200000000  0.2315612900000000  0.5837576700000000
   0.9700969200000000  0.2684387100000000  0.0837576700000000
   0.9282305200000001  0.9120401000000000  0.1588962400000000
   0.0717694800000000  0.0879599000000000  0.8411037600000000
   0.0717694800000000  0.4120401000000000  0.3411037600000000
   0.9282305200000001  0.5879599000000000  0.6588962400000000
   0.6963608900000000  0.0318840700000000  0.9245653900000000
   0.3036391100000000  0.5318840700000000  0.5754346100000001
   0.3036391100000000  0.9681159300000000  0.0754346100000000
   0.6963608900000000  0.4681159300000000  0.4245653900000000
   0.2378574800000000  0.9149957300000000  0.1629920100000000
   0.2588178000000000  0.9065482200000000  0.4646705200000000
   0.1759526200000000  0.3024631800000000  0.4582536100000000
   0.1906118400000000  0.9099099700000000  0.8547667600000000
   0.2378574800000000  0.5850042700000000  0.6629920100000000
   0.1795048100000000  0.3357225500000000  0.2110240700000000
   0.2588178000000000  0.5934517800000000  0.9646705200000000
   0.8093881600000000  0.4099099700000000  0.6452332400000000
   0.7621425200000000  0.0850042700000000  0.8370079900000000
   0.7411822000000000  0.4065482200000000  0.0353294800000000
   0.8093881600000000  0.0900900300000000  0.1452332400000000
   0.8204951900000000  0.8357225500000001  0.2889759300000000
   0.7411822000000000  0.0934517800000000  0.5353294800000000
   0.1906118400000000  0.5900900300000000  0.3547667600000000
   0.8240473800000000  0.8024631799999999  0.0417463900000000
   0.7621425200000000  0.4149957300000000  0.3370079900000000
   0.8240473800000000  0.6975368200000001  0.5417463900000000
   0.1759526200000000  0.1975368200000000  0.9582536100000000
   0.1795048100000000  0.1642774500000000  0.7110240700000000
   0.8204951900000000  0.6642774499999999  0.7889759300000000