32 Lattice="58.625 0.0 0.0 0.0 58.625 0.0 0.0 0.0 58.625" Properties=species:S:1:pos:R:3:forces:R:3 energy=24.494876774007828 stress="-0.0002037803748262236 2.5906238575407385e-06 -6.434649186203022e-06 2.5906238575407385e-06 -0.00019486756154205641 -3.930793731812369e-06 -6.434649186203022e-06 -3.930793731812369e-06 -0.00020330593239136944" free_energy=24.494876774007828 pbc="F F F" O 29.19200425 29.40512900 29.40454096 -0.57102588 -0.57688932 -0.68693944 O 31.58091808 31.27718858 29.17777930 -0.27811374 0.23655022 -0.89816415 O 31.25148776 29.17508147 31.29267555 -0.07599745 -0.76102967 0.31909007 O 29.12760651 31.39170268 31.18473329 -0.74756161 0.26050541 0.15727023 O 33.19365934 29.27829016 29.48132826 0.42188789 -0.92509682 -0.69184378 O 35.64795107 30.91495347 29.20041843 0.59325038 0.07810633 -0.74989091 O 35.41710516 29.49814236 31.56111981 0.75804458 -1.23147642 -0.55872732 O 33.65302342 31.56943267 31.52862508 -0.31324591 -0.32555438 -0.10373773 O 29.53716171 33.89584216 29.19085399 -0.81176883 -0.45663825 -1.14297130 O 31.58121951 35.58714275 29.44000193 -0.03499059 1.15377771 -0.99787509 O 31.43831930 33.46478882 31.14910941 -0.43835222 -0.38349568 0.43680075 O 29.27741114 35.50063068 31.11568158 -0.79768129 0.90391850 0.46504680 O 33.54429398 33.64912932 29.55534059 0.03370791 -0.34125465 -1.68939702 O 35.68921133 35.62086318 29.43670575 0.56597447 0.71017403 -0.64370337 O 35.41117688 33.63704024 31.16666362 1.51465815 -0.28144305 0.23202404 O 33.33831687 35.44506332 31.41759665 0.20643146 1.40583439 0.26899570 O 29.18915588 29.29222951 33.53769465 -0.89027159 -0.65688168 -0.29006644 O 31.28747756 31.22164048 33.66268026 0.09612165 0.18553940 -0.29384392 O 31.02683148 29.18033916 35.44098448 0.34737031 -0.97429591 0.82671320 O 29.24571995 31.19288789 35.66936589 -0.79680415 0.26406496 0.73375464 O 33.72683302 29.25734438 33.60944100 -0.33582382 -0.87437303 0.25290572 O 35.81023891 31.17785427 33.32087278 1.03102704 0.52900521 0.54190821 O 35.74679764 29.48157269 35.66327776 0.45959916 -0.37921465 0.58971259 O 33.24725474 31.36127501 35.77787076 0.14236241 -0.04835015 0.80567804 O 29.50559621 33.65158606 33.58642280 -1.00623840 -0.19561070 -0.35187849 O 31.58307711 35.53112812 33.61659881 -0.23899935 1.10903930 -0.23806645 O 31.21186491 33.73565164 35.64550000 0.28630895 -0.66244447 1.04634358 O 29.42385716 35.44960784 35.65237025 -0.93699776 0.95879144 0.59849331 O 33.62518828 33.54561249 33.42967557 -0.15034559 -0.24007264 0.23470184 O 35.70759679 35.51441694 33.29594058 0.74212150 0.81243794 0.14890362 O 35.42599172 33.59201564 35.39988009 0.90460263 -0.16030710 0.81801490 O 33.36277871 35.37832196 35.66551340 0.32074967 0.86668370 0.86074815