32 Lattice="56.15028381347656 0.0 0.0 0.0 56.15028381347656 0.0 0.0 0.0 56.15028381347656" Properties=species:S:1:pos:R:3:forces:R:3 energy=81.71646482460304 stress="0.0002559088523713331 2.4090612309891156e-05 -9.591384781898059e-06 2.4090612309891156e-05 0.00021251693874446332 -1.4581881013383166e-05 -9.591384781898059e-06 -1.4581881013383166e-05 0.00024722185363200644" free_energy=81.71646482460304 pbc="F F F" Mo 27.95464615 28.16777090 28.16718287 1.63138659 1.11099025 1.29704055 Mo 30.28325376 29.92337127 27.94042121 -0.28513943 0.56528105 1.36285602 Mo 29.90408914 27.93772337 30.19752099 1.10126082 0.99398606 0.10499981 Mo 27.89024842 30.09616656 29.93746295 1.34274341 0.63130440 0.52320708 Mo 32.00486264 28.04093207 28.24397016 -0.57871134 0.58445096 1.02145839 Mo 34.14544482 29.83772538 27.96306033 -1.72401390 0.65296830 1.64808549 Mo 33.68401265 28.26078427 30.23537899 1.07639108 -1.05582299 -2.38480884 Mo 32.23889988 30.24369186 30.20288426 -1.61460827 -1.13108958 -1.31988372 Mo 28.29980362 32.23276174 27.95349589 0.34948531 -1.50315825 0.84696809 Mo 30.22527399 34.00616602 27.99897480 0.28080991 0.08735445 0.19286078 Mo 30.11257849 32.05066529 29.76409777 -0.53658027 -0.76277655 1.53999363 Mo 28.04005304 33.99812443 29.88918921 1.35441001 -0.49207688 0.25923025 Mo 32.24569829 32.23500578 28.31798250 -0.59188733 -1.43732868 -2.50908057 Mo 34.18670507 34.11835692 28.19934765 -1.04558742 -0.29656695 1.10832048 Mo 33.90867062 32.17428725 30.05220916 2.36374818 -0.84313823 1.09034016 Mo 31.92419334 33.94255706 30.09185584 0.00596676 1.66401822 0.81781551 Mo 27.95179778 28.05487142 32.13862585 0.90574669 1.23502208 -1.19050991 Mo 30.27734476 29.89589967 31.89206313 -1.14318626 0.94340391 1.01059096 Mo 29.94823268 27.94298107 33.93847822 0.63218475 1.09143328 -1.51762459 Mo 28.00836186 29.86714707 34.16685963 2.23522721 1.29174263 -1.60614488 Mo 32.31270949 28.01998629 32.09606902 -2.27098793 0.16572707 1.92924563 Mo 34.30773265 29.85211346 31.90674925 -0.54456646 2.19956366 1.99584434 Mo 34.24429138 28.24421460 34.16077150 -1.44676109 1.53240285 -1.51606122 Mo 31.80022698 30.03725464 34.27536450 0.03429148 0.84530429 -1.87117456 Mo 28.31686757 32.23746253 31.72611925 0.48309977 -1.52057672 0.74142234 Mo 30.25733629 34.02862187 32.19413201 -0.40451154 0.14492583 -0.74259106 Mo 29.89901294 32.32152811 34.12793900 1.64308798 -2.66710627 -0.57615651 Mo 28.11984794 33.94710159 34.14986399 0.07690003 -0.08897179 -1.13833516 Mo 32.12631374 32.13148896 32.01555203 -0.90147954 -1.00613613 0.96902897 Mo 34.20509053 34.01191069 31.98353900 -1.27774808 -0.45923684 -0.58611390 Mo 33.92348546 32.17789210 33.89737383 -0.00191548 -2.09324774 -0.88629270 Mo 32.11590686 33.87581571 34.16300715 -1.14905564 -0.38264570 -0.61453085