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Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:multipoles:R:1 chignolin.pdb=T total_charge=-2 energy=-104085.77232994497 free_energy=-104085.77232994497 pbc="F F F"
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