256 Lattice="8.508649826049805 0.0 0.0 0.0 8.508649826049805 0.0 0.0 0.0 8.508649826049805" Properties=species:S:1:pos:R:3:forces:R:3 energy=20805.789403389826 stress="-137.17689636017766 0.07747681952194982 -0.48481029455199115 0.07747681952194982 -137.00123505468088 0.24731013313792374 -0.48481029455199115 0.24731013313792374 -137.29190268472692" free_energy=20805.789403389826 pbc="F F F" Ne 0.02789913 0.02435089 0.02241897 -269.89587471 -291.89138886 -268.90610628 Ne 1.03763401 1.06277282 0.00400837 170.77086470 11.00041639 -395.67758455 Ne 1.02545791 0.00964208 1.10123861 235.21576547 -441.73746655 -163.84901063 Ne 0.02212195 1.05258363 1.05477903 -511.54734126 63.32901907 12.89022551 Ne 2.09729751 0.00386926 0.03673283 -76.33262364 -302.36783557 -291.60778725 Ne 3.16241261 1.02236387 0.00205191 75.40862493 156.06453405 -402.23894897 Ne 3.17128261 0.01083894 1.03469771 77.02919802 -464.77984249 123.19970693 Ne 2.16793501 1.06795037 1.10882996 -116.79461532 45.51258619 -133.65379904 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