256 Lattice="11.334512710571289 0.0 0.0 0.0 11.334512710571289 0.0 0.0 0.0 11.334512710571289" Properties=species:S:1:pos:R:3:forces:R:3 energy=93961.89783250721 stress="-262.07278130004596 0.14801754830559902 -0.9262174901672033 0.14801754830559902 -261.73718488872686 0.4724795580423758 -0.9262174901672033 0.4724795580423758 -262.2924980216221" free_energy=93961.89783250721 pbc="F F F" Kr 0.03716491 0.03243824 0.02986470 -915.00114626 -989.57038241 -911.64562974 Kr 1.38224936 1.41573720 0.00533962 578.94763296 37.29364170 -1341.42624731 Kr 1.36602937 0.01284438 1.46697813 797.42891675 -1497.57853862 -555.48124127 Kr 0.02946903 1.40216400 1.40508853 -1734.24805754 214.69815386 43.70046560 Kr 2.79384458 0.00515431 0.04893243 -258.78297936 -1025.08749123 -988.60876093 Kr 4.21270196 1.36190775 0.00273339 255.65041545 529.09018442 -1363.67060843 Kr 4.22451784 0.01443874 1.37833787 261.14451649 -1575.69681426 417.67183173 Kr 2.88794199 1.42263429 1.47709069 -395.95725772 154.29685536 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