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=-21.5852848718146 stress="-0.0012352501797563704 -1.1984496321524936e-05 -0.00034375018198443217 -1.1984496321524936e-05 -0.0014679532580247436 0.00011400140992786944 -0.00034375018198443217 0.00011400140992786944 -0.001183043372759269" pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -2.90216649 -2.09688331 -2.37489805 Si 36.59933616 35.93572417 35.98055861 0.10035392 -35.60831432 23.97092004 Si 36.69924512 37.22516294 35.23402360 -0.11166208 36.65987609 -22.51992135 Si 37.91061888 39.00824945 35.57106187 1.94835552 3.07528392 -2.70192297 Si 37.29465675 35.14771729 38.20399864 -2.68196689 -1.45647265 -0.68292095 Si 39.35802973 36.07349581 38.45018589 0.82802302 -9.17301222 4.66047631 Si 34.76884260 38.20444678 38.02575960 -5.66419806 -0.77215669 -5.62742744 Si 36.55604684 39.07636534 38.99475015 -36.45115265 65.25548295 -41.24701646 Si 40.23975440 35.55577733 35.25284888 -2.24942450 0.18236265 -3.58875294 Si 41.57116719 36.00454661 36.78983070 2.61414245 1.69678182 0.89973981 Si 42.51432400 36.93324962 34.69615509 -0.60918334 0.58618997 0.92901218 Si 43.42712388 38.91385061 36.22088890 6.70517056 -9.00946202 -7.38587878 Si 42.73578848 35.29825864 38.47892573 -6.69734629 -11.50366378 -1.35030164 Si 43.94092265 36.56606735 38.98245906 13.26046224 6.22129190 -0.68514548 Si 39.39630707 37.67682157 37.40447350 1.29319940 4.22984969 -8.07107128 Si 40.92663375 38.85467497 38.80938152 8.38627370 -3.55676124 -2.26035395 Si 34.72941635 39.65017747 35.17843495 -1.52307365 -8.34930151 -1.32284704 Si 35.67994952 41.20201413 35.91957267 -4.16120368 -3.82538552 6.83182253 Si 36.83832478 42.32454839 35.07964709 8.34941094 7.84877338 -6.13065630 Si 38.61643991 43.32327578 36.40123177 -44.58058033 26.79992876 -29.34759326 Si 37.95366604 39.88662246 37.71888199 -14.48246894 -5.20686500 -19.86183294 Si 39.18297782 40.79320854 38.41313349 12.39267426 13.21083709 6.75846199 Si 35.64061762 42.55244599 37.63905551 -1.35238348 -1.88033549 -3.07458229 Si 36.15510351 43.81252997 39.11824152 1.73300430 4.40377859 4.15535867 Si 40.31463283 40.76250514 35.06533237 -6.76282289 -0.88836853 -7.24831694 Si 41.60365422 41.12475624 36.46651109 -2.76225706 16.16975429 -8.32100307 Si 41.78042048 43.31103882 34.75724372 0.28058856 -1.31015922 1.81911355 Si 43.52629705 43.46239944 36.79309461 -2.61736345 -2.20864665 1.02299753 Si 42.58087455 40.09122498 37.35935114 1.08126467 -10.71913828 15.97735825 Si 43.73510397 41.07781524 38.65337001 5.05142801 4.51913637 1.68720282 Si 39.66448343 42.68403127 37.11226018 42.38233771 -22.62931477 25.04234102 Si 40.97555741 43.31914392 38.89352680 -16.42368824 10.35245052 -9.36543475 Si 34.79982066 35.07367197 39.04841791 0.77995529 1.02816514 -0.85846336 Si 36.13897766 36.35282927 40.68258771 -5.75646901 -5.19309155 -2.19800494 Si 37.00297454 37.99791377 39.62151619 29.76865482 -73.82145698 39.17963718 Si 38.27194644 38.51894432 41.34725891 -3.00461912 -7.21503727 15.10271652 Si 36.62825395 35.17049102 42.29388522 3.26071817 -1.68515035 6.46946734 Si 39.08450338 35.75571598 43.99881808 -8.37997566 -12.34004759 9.41472614 Si 35.23710347 37.57017884 42.51668654 -4.49517835 -5.09355939 -3.70711606 Si 36.22422232 38.91950201 43.54655608 -12.19515781 -8.30717041 15.62646104 Si 39.94590214 35.43324153 40.72739038 -12.42858033 -5.28041332 -6.46548575 Si 41.48837336 36.00831489 41.43404765 -8.89701521 38.69242256 -10.28936326 Si 42.84911873 37.58984275 40.26936712 -38.57819125 -34.77129622 -30.28815612 Si 43.60556472 38.49425818 41.03735392 33.01020731 38.77318043 33.50014854 Si 42.20384740 34.85081933 42.03810700 23.35434475 -33.56198490 19.31696369 Si 43.86847215 36.00394286 43.76534421 -1.39577892 -0.84202016 -1.42288634 Si 39.73333753 37.00409575 43.00005349 4.76936096 10.90686461 -13.08913162 Si 41.03695434 38.28719268 43.94632733 0.44881688 4.06707720 2.54144229 Si 34.94292271 39.80099153 40.20999044 -7.25109600 3.46479437 3.01741138 Si 36.26332309 41.49467021 41.17665376 -0.47421688 -4.28968868 2.21192697 Si 37.82350393 42.21753953 39.80335328 -9.39642971 -5.96669768 -8.46930781 Si 38.63834321 43.28337470 40.87827378 8.24946225 14.85307336 11.77763893 Si 37.36102597 39.94186987 42.87644269 13.09924248 14.82119936 -11.24732490 Si 39.31175267 40.70744521 43.72950645 1.88534755 -2.58533431 2.93962125 Si 35.08175413 42.64192570 42.49502824 -1.25318634 3.80941730 2.72103669 Si 37.05555040 43.97904124 43.25093911 -0.10165667 -1.48116041 -2.45856049 Si 39.50493887 39.32584706 40.34642968 16.17447018 7.46936355 2.24658421 Si 40.89974943 41.22892384 41.12165250 19.01193355 -28.84589871 -37.47588429 Si 42.34497277 42.80178516 39.71375535 20.75089640 -6.20035033 9.08814828 Si 43.88267273 43.86430419 41.59585655 -1.33805289 -0.31808764 -0.53450771 Si 42.58408063 40.67016232 42.02045641 8.57180381 -6.71829898 -0.33331639 Si 43.53876595 41.01639986 43.91426806 1.41788983 0.84004229 3.35301580 Si 40.39757659 42.11536967 42.13716159 -25.93745369 32.86952201 38.86283376 Si 41.08374732 43.77016552 43.57819544 1.95620640 1.90408592 0.88080223