C 
 1.0000000000000000
     2.5157111837589810   -0.0000000000000000    0.0000000000000000
    -1.2578555918794905    2.1786697937198998    0.0000000000000000
     0.0000000000000000    0.0000000000000002   43.1354611853654646
 C  
  42
Selective dynamics
Cartesian
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