500 Lattice="10.644848994454733 0.0 0.0 0.0 10.644848994454733 0.0 0.0 0.0 10.644848994454733" Properties=species:S:1:pos:R:3:forces:R:3 energy=42093.163154045 stress="-141.72312019332443 0.041505734983467726 0.32732762934821336 0.041505734983467726 -141.79910447793998 0.11306163781683182 0.32732762934821336 0.11306163781683182 -141.72182414633724" free_energy=42093.163154045 pbc="F F F" Ne 0.04031150 0.00723820 0.00345249 -238.85838836 -203.31886776 -210.44944382 Ne 1.08043054 1.04946798 0.01589273 -47.36209557 42.65791071 -485.75612915 Ne 1.02747506 0.03382312 1.09559272 195.43730810 -542.34463393 -180.30870134 Ne 0.03859738 1.06467350 1.10048868 -547.70267576 131.76507353 -210.45578047 Ne 2.10697103 0.01277502 0.02723507 25.84422564 -341.36391725 -288.54357741 Ne 3.22661948 1.02234044 0.03099301 -210.15199991 90.71511003 -483.81913608 Ne 3.14562174 0.04004217 1.09776826 122.81461641 -506.40858336 -97.86027051 Ne 2.09126301 1.11245609 1.02617505 187.06912913 -102.22167674 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