C 
 1.0000000000000000
     2.5212787151988771   -0.0000000000000000    0.0000000000000000
    -1.2606393575994386    2.1834914173832178    0.0000000000000000
     0.0000000000000001    0.0000000000000002   43.2309244610706571
 C  
  42
Selective dynamics
Cartesian
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