500 Lattice="19.508040161114756 0.0 0.0 0.0 19.508040161114756 0.0 0.0 0.0 19.508040161114756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2262.5311684058456 stress="0.0010944202925301158 -1.9222828998465005e-05 -4.504318798700226e-05 -1.9222828998465005e-05 0.0008598602774472705 8.367590623380368e-05 -4.504318798700226e-05 8.367590623380368e-05 0.0014030852021643624" free_energy=-2262.5311684058456 pbc="F F F" V 0.03694121 0.02148153 0.00176559 0.76074407 0.64996916 0.63902410 V 1.98394899 1.98766827 0.02580293 -0.45609640 -0.21054486 -0.09984186 V 1.94154254 0.04221141 1.94842325 -0.28517680 -0.09078525 -0.15805291 V 0.03638689 1.96002986 1.91807371 0.03287396 -0.20307847 -0.19766818 V 3.84886006 0.03534927 0.02737772 0.01268196 0.34571627 0.33285166 V 5.87526543 1.93552014 0.04499414 -0.17264996 -0.21253344 -0.05227621 V 5.85677722 0.04726002 1.94653428 -0.13790128 -0.12053673 -0.26969646 V 3.85596993 1.93707600 1.93802329 0.04906340 -0.14127279 -0.08629439 V 7.82385585 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