500 Lattice="10.761812180759676 0.0 0.0 0.0 10.761812180759676 0.0 0.0 0.0 10.761812180759676" Properties=species:S:1:pos:R:3:forces:R:3 energy=7033.823550642892 stress="-12.857704688697842 -0.01278654708697226 0.023467608698199312 -0.01278654708697226 -12.859065399724265 -0.004951488891316717 0.023467608698199312 -0.004951488891316717 -12.859142741736981" free_energy=7033.823550642892 pbc="F F F" Ne 0.02877323 0.00993533 0.01247504 -21.95849693 -19.39697477 -19.46734027 Ne 1.06109572 1.04991724 0.03831590 2.34402855 0.65939513 -42.03287457 Ne 1.03436947 0.04123850 1.08471390 5.70594417 -41.40685839 -4.26524955 Ne 0.02062755 1.11913742 1.11645767 -43.46186601 -5.78454917 -7.02476662 Ne 2.18610527 0.02081864 0.01810655 -6.76442453 -30.07053563 -31.06013386 Ne 3.18932308 1.10906455 0.01825503 5.46847335 -1.53865218 -40.86255330 Ne 3.17058567 0.02417924 1.04263551 6.63567921 -37.83586356 7.35277712 Ne 2.15095378 1.10212721 1.04128074 -5.19333037 -5.17510623 1.89369002 Ne 4.24945922 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