64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=235108.5624327134 stress="-2.534663505888824 -0.21836092459736756 -0.5913937937125047 -0.21836092459736756 -3.2382214011621184 0.47059627009287336 -0.5913937937125047 0.47059627009287336 -2.465488120063836" free_energy=235108.5624327134 pbc="F F F" Xe 34.83451651 35.10535810 35.39397009 -13608.63268141 -6016.73959862 -4090.86803556 Xe 36.33268130 35.76741069 35.84410269 13015.71893584 5789.01873932 3587.24029810 Xe 36.64919348 37.61204406 34.82226869 59.35152158 615.78070159 -457.08793268 Xe 37.98134164 39.07917266 36.28232034 1252.89799438 -1562.10178899 -4035.78162008 Xe 37.24217325 34.85297404 37.47687593 -13867.40542044 -12473.21503426 -9354.76681022 Xe 38.35961812 35.78492223 38.26964376 13757.40693019 11939.18740695 9602.66476938 Xe 35.05236494 37.39055695 37.67204097 -66.69963594 1.50575361 -43.94083901 Xe 36.55604684 39.07636534 38.99475015 -161637.82909719 294894.71502383 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