triclinic.gro 479 Bytes
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Triclinic test system
    8
    1Cl      Cl    1   1.744   2.788   3.162
    2Cl      Cl    2   1.048   0.762   2.340
    3Cl      Cl    3   2.489   1.570   2.817
    4Cl      Cl    4   1.027   1.893   3.271
    5Na      Na    5   0.937   0.825   0.009
    6Na      Na    6   2.290   1.887   3.352
    7Na      Na    7   1.266   1.111   2.894
    8Na      Na    8   0.933   1.862   3.490
   2.50000   3.00000   3.50000   0.00000   0.00000   0.50000   0.00000   0.70000   0.90000