cp2k/tests/Fist/sample_pot/water.pot

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2004-10-28 18:11:46 +00:00
BONDS
HT HT 0.000 1.5139
OT HT 450.000 0.9572
ANGLES
HT OT HT 55.000 104.5200
DIHEDRALS
IMPROPER
NONBONDED
HT 0.000000 -0.046000 0.224500
OT 0.000000 -0.152100 1.768200
HBOND CUTHB 0.5
END