500 Lattice="14.18018223905069 0.0 0.0 0.0 14.18018223905069 0.0 0.0 0.0 14.18018223905069" Properties=species:S:1:pos:R:3:forces:R:3 energy=189083.03028199245 stress="-269.85009892566603 -1.1453795767568 -0.2868095751725477 -1.1453795767568 -269.15486938623326 0.8526290590411946 -0.2868095751725477 0.8526290590411946 -269.1022324698269" free_energy=189083.03028199245 pbc="F F F" Kr 0.04622544 0.04373938 0.02536133 -1005.26436135 -1022.92780041 -755.52982820 Kr 1.39274730 1.37333104 0.02850088 129.45039876 876.40301069 -1202.11408182 Kr 1.40271369 0.01698340 1.47640896 236.64051478 -1680.31611877 -429.09034796 Kr 0.02704030 1.40786740 1.45270668 -1593.86020788 434.68332810 -290.95508033 Kr 2.73324595 0.02989527 0.05376681 410.40299608 -1224.89434995 -1119.85373851 Kr 4.22646465 1.40697234 0.01840229 -27.60135763 199.69824433 -1567.37853828 Kr 4.21650560 0.05492349 1.37876119 194.65843241 -1843.00815832 289.45544804 Kr 2.86427333 1.41757445 1.47753402 -833.96942308 588.67084067 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