File: wat125.pot

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cp2k 2025.2-1
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BONDS
 3    3      0.000     1.5139
62    3    450.000     0.9572

ANGLES
 3   62    3     55.000   104.5200

DIHEDRALS

IMPROPER

NONBONDED
 3     0.000000  -0.046000     0.224500
62     0.000000  -0.152100     1.768200

HBOND CUTHB 0.5

END