500 Lattice="16.37060176472309 0.0 0.0 0.0 16.37060176472309 0.0 0.0 0.0 16.37060176472309" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1421.569532950728 stress="-0.02862287660731595 -0.00030434973558805643 0.0013935972146299908 -0.00030434973558805643 -0.028663755346968613 -0.0010385557193217732 0.0013935972146299908 -0.0010385557193217732 -0.028999433073177795" free_energy=-1421.569532950728 pbc="F F F" Be 0.00471318 0.01681467 0.00377734 5.90477234 5.50950799 5.96921847 Be 1.63510978 1.66852375 0.04390043 -2.61050017 -2.89782311 -0.96531639 Be 1.60770715 0.03071666 1.66367384 -2.83086600 -0.72311377 -3.10380332 Be 0.03709334 1.65746594 1.64991788 -1.00307874 -2.51434776 -2.46967373 Be 3.25662771 0.04165869 0.00860388 0.01597871 0.41775870 0.42987127 Be 4.85055572 1.65818795 0.01104003 0.34052248 -0.14532649 -0.94216039 Be 4.92796508 0.03007934 1.61012801 -0.31434807 -0.74881156 0.17305455 Be 3.32215356 1.66690358 1.65079341 -0.73641343 -0.25240380 0.21334967 Be 6.54772142 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