500 Lattice="21.239394410277335 0.0 0.0 0.0 21.239394410277335 0.0 0.0 0.0 21.239394410277335" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=42008.773392799456 pbc="F F F" Ne 0.02642078 0.01357700 -0.01153091 10 -258.97884239 -246.67781081 -200.48827511 Ne 1.03178500 1.04465187 0.02472586 10 48.87404353 82.87040658 -359.39128534 Ne 1.09424724 -0.03695407 1.03345073 10 -132.73161972 -385.90607454 200.01295282 Ne -0.01906569 1.02564628 1.10388413 10 -298.55578592 195.25755741 -189.39766971 Ne 2.08377501 0.00377897 0.01092245 10 150.79528988 -265.63726248 -360.32224720 Ne 3.21537676 1.03917886 -0.02136358 10 -259.78783536 78.45253944 -311.37923770 Ne 3.19542756 0.02284473 1.06427513 10 -31.83363005 -368.14092953 -12.97605258 Ne 2.10424862 1.02139662 1.11709053 10 129.70105561 109.37331085 -200.96446280 Ne 4.22615115 0.03607809 -0.03093445 10 84.65198448 -391.63192146 -291.81358706 Ne 5.29354894 1.07923714 -0.01809993 10 82.32281068 -24.77079441 -381.98456829 Ne 5.30510827 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