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0.02103090 -0.23750697 0.17124051 0.11593700 -0.14097303 0.17686837 138 Properties=species:S:1:pos:R:3:momenta:R:3:forces:R:3:charge:R:1 chignolin.pdb=T total_charge=-2 energy=-104085.03224772992 free_energy=-104085.03224772992 pbc="F F F" N -6.34807173 -0.68185481 4.66048027 -0.66380339 0.73987777 0.09448656 -1.15080220 0.53567522 0.23416287 -0.84376724 C -6.61214736 -0.82743594 3.20382019 -0.09038485 -0.18847051 0.26992427 1.06855036 0.36345235 0.09602421 -0.17832279 C -5.28136253 -0.77978867 2.43675580 -1.08090659 0.72759758 0.47563454 -0.17255017 2.05669915 -0.63154421 0.72730900 O -4.87904820 -1.75070819 1.86673528 -0.50848472 0.61307165 2.42867198 0.49106870 -1.43644088 -0.29500504 -0.60727966 H -7.08653520 -1.24550424 5.12136718 -0.25976039 0.06312460 -0.11785934 0.73917826 0.84966166 -0.01710272 0.35816947 H -6.47826930 0.32914576 4.91733256 -0.16370387 0.21809035 -0.18839410 0.04519122 -1.58520064 -0.13409782 0.35028015 H -3.49968787 -3.23828556 5.20832360 0.09124140 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