500 Lattice="10.619696506836053 0.0 0.0 0.0 10.619696506836053 0.0 0.0 0.0 10.619696506836053" Properties=species:S:1:pos:R:3:forces:R:3 energy=43300.37833197218 stress="-146.918558879961 0.20029250172853058 0.38570158382511 0.20029250172853058 -146.77879075716382 0.05899043418512316 0.38570158382511 0.05899043418512316 -146.7806552721556" free_energy=43300.37833197218 pbc="F F F" Ne 0.01201913 0.04123388 0.02475451 -224.59814910 -290.66075439 -297.04329809 Ne 1.07922796 1.07723717 0.01365900 -27.73122693 -0.06659082 -491.54846049 Ne 1.10034384 0.01806326 1.03707944 -129.74174372 -502.57742402 153.27023751 Ne 0.03057667 1.02787556 1.05049660 -448.88999789 75.24767863 159.55818747 Ne 2.11795923 0.02090548 0.01512688 129.72997153 -357.11989341 -389.76811572 Ne 3.20739713 1.08387198 0.00396450 -73.58488676 -79.77801628 -392.74815952 Ne 3.23108831 0.03132798 1.09461150 -81.47762090 -391.48337511 -72.24791239 Ne 2.11144653 1.02414067 1.04489183 205.91005904 200.44682359 107.16077328 Ne 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