108 Lattice="8.518514787419171 0.0 0.0 0.0 8.518514787419171 0.0 0.0 0.0 8.518514787419171" Properties=species:S:1:pos:R:3:forces:R:3 energy=35632.09246756764 stress="-234.81987145310256 -0.2307360548369289 -1.3391388362673484 -0.2307360548369289 -233.8223337488903 -0.5810167249093342 -1.3391388362673484 -0.5810167249093342 -233.5131230809302" free_energy=35632.09246756764 pbc="F F F" Kr 0.04837391 0.04096163 0.01359948 -624.86877059 -919.56731095 -995.33305165 Kr 1.45906104 1.47196297 0.03075441 -341.96189989 -498.93552035 -1821.43507163 Kr 1.39887654 0.03435366 1.47199403 185.51455827 -1876.27048495 -454.54556929 Kr 0.01845305 1.36975447 1.37304955 -1599.45158433 534.21966736 370.94604667 Kr 2.80684972 0.01036402 0.00635984 -59.43119547 -1050.29741645 -1104.15729969 Kr 4.29052936 1.41301609 0.00994538 -582.34680184 275.17653862 -1485.65933814 Kr 4.23202281 0.02837946 1.36682497 -119.56977321 -1444.77159290 479.63007008 Kr 2.79922113 1.37429408 1.40081597 742.93212513 525.05608858 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