32 Lattice="8.45115203857422 0.0 0.0 0.0 8.45115203857422 0.0 0.0 0.0 8.45115203857422" Properties=species:S:1:pos:R:3:forces:R:3 energy=-101.61256500405526 stress="25.166410600251186 1.4840303094520548 1.2471602164298314 1.4840303094520548 19.572186354244245 -0.6800338978512013 1.2471602164298314 -0.6800338978512013 20.66370884174955" pbc="F F F" U -0.12049575 0.09262900 0.09204096 1.59460288 1.88275164 2.00852078 U 2.28745609 1.95565010 -0.13472070 0.29561537 -0.70530417 0.63967352 U 1.96444446 -0.13741853 2.25145761 0.12545296 0.87433329 0.04262182 U -0.18489349 2.12844539 1.96974177 0.35901473 -0.77401944 -0.90237111 U 4.12290440 -0.03420984 0.16882826 -0.52439169 1.26900279 0.62819158 U 6.39256510 1.63941795 -0.11208157 -1.67232646 -0.11208909 1.33761534 U 6.16171919 0.18564236 2.26765782 -0.09518617 -1.37752478 -1.47986991 U 4.37859944 2.27597068 2.23516309 -0.68913300 -1.34788143 -0.50746597 U 0.22466171 4.34225660 -0.12164601 0.31245470 -0.08849689 1.10552544 U 2.28775752 6.33175678 0.04903145 -0.86900823 0.18622268 -0.54732782 U 2.14485731 4.19036484 2.04488932 -1.69139610 -0.85459680 -0.04830972 U -0.03508886 6.24524471 1.71779900 0.94264158 -1.10323087 -0.33145407 U 4.13688511 4.37470534 0.24284059 0.31245095 -1.66124540 -3.24704632 U 6.43382535 6.36547721 0.12420575 -0.54097556 0.11532339 0.03102107 U 6.15579091 4.56294369 1.89524608 2.49784083 -0.62017192 0.66692718 U 3.96464445 6.18967734 2.00860682 0.27111985 3.27081966 1.35684766 U -0.12334412 -0.02027049 4.32695486 0.98723027 1.23924287 0.14496730 U 2.06066669 1.92817849 4.22100459 0.03984240 -0.25084794 0.44619583 U 1.98051151 -0.13216084 6.18559850 -0.70030753 1.05830178 -0.90534783 U -0.06678005 1.89942590 6.41397991 1.30272840 -0.33039545 -1.27617462 U 4.45240904 -0.05515562 4.33501701 0.16155615 -0.11095750 0.42943861 U 6.34356658 1.88439228 4.04644880 0.71005753 1.17012809 1.86018056 U 6.49141167 0.16907269 6.40789179 -1.45347336 1.08898863 -1.74267180 U 4.04039964 2.00288234 6.52248479 -0.01718115 0.07302345 -0.95344566 U 0.36034790 4.13002007 3.99448155 -0.56578355 -0.39413324 0.26355285 U 2.28961512 6.27574215 4.33211112 -0.07009287 0.40191563 0.23578069 U 1.93129176 4.46122766 6.39845730 0.65089887 -0.44225837 0.15540594 U 0.09846832 6.19422187 6.39698428 0.57135895 -0.68403251 -0.42731056 U 4.35076430 4.27118851 4.15525159 -0.11010888 -0.40912972 2.03305560 U 6.45221082 6.25903097 4.02151660 -0.82147522 -0.64444742 0.02071726 U 6.17060575 4.08346154 6.14449412 -0.98983695 0.00952906 -0.50261119 U 4.08904307 6.12293599 6.41012743 -0.32418969 -0.72882001 -0.53483248