64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-70.09409700894624 stress="0.00035531147949355085 3.741300902750689e-05 5.4381887304359124e-05 3.741300902750689e-05 0.00037210401225917143 1.5581655125029416e-05 5.4381887304359124e-05 1.5581655125029416e-05 0.00041244522196935154" pbc="F F F" O 35.12719682 34.97614529 35.49511354 0.46022516 0.65048788 0.32118682 O 36.68185109 36.72427812 36.19414664 -4.00390502 2.57479125 2.13311629 O 37.85902471 37.59743981 34.72839149 0.16323280 0.29296077 2.46986185 O 39.17891285 38.73418147 35.83779501 1.75271501 1.27280427 -1.88828970 O 37.88748978 34.97059878 37.78126835 1.86765619 3.27799285 2.52166215 O 38.70142893 36.14443026 38.89411013 -5.86870857 2.84232420 3.80666656 O 35.35621336 37.33260294 37.05809393 6.36804684 -0.22982820 -0.52669585 O 36.01374533 38.38272863 38.43263453 -1.24841027 -1.84800210 -2.62742263 O 40.10834375 34.72682796 35.02208945 0.50489396 0.95930286 1.12541701 O 40.87804177 35.97594206 36.61121552 -1.33157529 4.77860658 1.74418341 O 42.37128687 36.98531660 35.35848963 -0.68559381 -0.33045477 1.37482430 O 43.95621263 38.00042786 36.90885276 -0.59267815 -1.17729095 0.96470735 O 42.87511505 35.17583133 37.91864559 1.13645074 2.47285052 0.58000028 O 44.06202812 36.60777451 38.51128558 -2.34402112 -0.67645960 -1.73153962 O 40.33969660 37.35346251 37.45096476 2.39429082 -3.71678309 -1.47822329 O 41.13796322 38.44523615 38.94811800 5.91824944 -7.37788594 3.40374798 O 35.02084998 39.45663452 34.59547534 0.18954864 -0.01233729 0.17350618 O 36.62558106 41.61048860 36.09076779 1.79571880 2.56192026 -3.56873457 O 36.96139041 42.56781487 34.68307999 -0.91438401 -3.04041104 4.71901068 O 38.81245424 43.79399458 36.49012658 1.97675771 -3.29795143 3.23826374 O 38.13531054 40.38304715 37.22912390 1.51219392 4.73568635 5.88232792 O 38.47212236 41.24336504 38.53584584 -0.45992080 -2.74353787 -6.64226340 O 35.44516468 42.62438384 38.27386690 1.64030471 1.02302757 0.48265700 O 36.74452790 44.11424941 38.75659089 -0.83016218 -2.17563158 -0.08005778 O 40.47814370 39.72986452 35.03307714 -2.72960106 -1.20149540 2.62576302 O 40.88900324 41.63025784 36.03588105 2.24969291 2.26477776 -1.03859218 O 42.01112579 42.91510187 35.44926007 -2.34850109 -3.06723076 2.10678629 O 43.95509779 43.45400571 36.76316753 -0.74054356 -0.32250511 -0.20391821 O 42.72619683 40.55276215 37.36393795 0.56602138 0.48218129 0.72792759 O 44.19669916 41.10230402 38.81476963 -1.25482767 -0.29951181 -0.82926445 O 39.57093429 42.69915563 37.67503831 -1.68030146 1.62883545 -2.39213935 O 41.26529953 43.87858354 38.10795410 -1.22761216 -1.24617866 -0.51334489 O 34.55999540 35.34275764 40.41308474 3.80890191 2.10494415 2.91005740 O 35.84086385 36.03723030 41.39977473 -3.32136180 -1.93397769 -2.30372939 O 37.96637598 37.02363693 39.91213525 4.64001923 -5.48260772 -6.26959776 O 38.90078844 38.95351308 41.62968780 1.69610738 0.03617272 -0.29809821 O 37.29426273 34.64217394 42.70146708 -0.12071934 0.78764487 -0.31657859 O 38.87372619 36.43540024 43.65081667 0.98965718 1.02247240 -1.98589171 O 34.50320533 37.50943185 42.88445416 1.49311777 0.32255620 0.14771750 O 36.21042955 38.53166900 43.70010102 -0.48156221 0.00447785 -0.99943115 O 39.91489774 34.79039821 40.55760009 0.11028383 1.20216526 -0.12594353 O 41.13384512 36.73994188 41.18219075 -2.22740320 1.81425255 1.16750041 O 42.09627546 37.58242733 39.61848023 -7.53024260 5.01245320 -3.52042249 O 44.07323566 39.16489569 41.12321184 -0.93253493 0.34852827 0.23398627 O 42.59979873 35.04740442 41.64248105 -0.74883674 0.88636176 -0.23674497 O 43.90270554 36.40916957 43.92838198 -0.12648930 -0.01210757 -0.16442345 O 39.92443130 37.42729966 42.27928427 0.73944701 -0.85329796 -2.48677427 O 41.52573972 39.16079526 44.03941209 1.10822790 1.26966202 -3.09268593 O 34.95317980 40.31796235 39.45267066 0.55673332 -0.11432472 -0.30458119 O 36.73571125 40.92830803 41.72086794 4.09268584 -2.21828666 5.80193084 O 37.66735774 42.63722411 40.36138927 3.48680697 1.10608912 1.94001957 O 39.06465679 43.25792792 41.25298170 -3.55944499 -2.37235653 -1.88667269 O 37.54228812 40.26518726 42.95991710 -0.90681430 5.90303195 -3.67273087 O 38.47000254 41.45952916 43.82187364 -1.30795102 -2.85658610 -3.91358218 O 35.28816838 42.76104946 42.23461637 2.30437232 0.44036347 2.42478276 O 36.23336846 43.35769343 43.75699827 -1.46347395 -1.30152106 -2.82098944 O 39.53889606 40.33568892 40.37551412 -0.76685610 -1.25210103 1.22886439 O 41.74149094 40.78518331 41.33498888 3.01375152 -5.62639600 7.27859576 O 42.61239246 42.88949353 40.40073104 3.02727795 1.27720703 2.89151429 O 43.84156760 43.61109510 41.47125991 -3.36269259 -2.39753401 -2.49150237 O 42.23219826 39.89716548 42.44580830 -3.93668522 4.78255993 -5.10058161 O 43.82166616 41.79605822 43.17766946 -0.49226145 0.00369820 -0.69915182 O 40.17498543 42.23528047 43.05853434 -1.34768659 0.44021734 0.42927673 O 41.10762493 44.00903331 43.77377161 -0.66962660 -1.39881549 -0.64526280