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=99.77632618521308 stress="-0.0018881885367239342 -0.00029844976444608125 -0.0008510672487784859 -0.00029844976444608125 -0.0020947520312093147 -0.00026357430341610006 -0.0008510672487784859 -0.00026357430341610006 -0.001597962858781885" pbc="F F F" Si 35.22086729 34.98310996 34.77096654 -3.39835978 -2.36202547 -2.95390990 Si 36.59933616 35.93572417 35.98055861 -13.20880022 -38.14925149 27.59607155 Si 37.14715992 37.22516294 35.23402360 -1.47063200 14.39763213 -45.22962306 Si 37.93229823 38.31172061 36.19084223 18.60245493 24.30922761 20.10162650 Si 37.29465675 35.14771729 38.20399864 -2.02760641 0.34276220 -1.38278797 Si 39.35802973 36.07349581 38.45018589 0.13636496 -33.75917078 13.21515580 Si 34.76884260 38.20444678 38.02575960 -1.66758735 -0.03071442 -2.41621538 Si 36.55604684 39.07636534 38.99475015 -36.65854085 97.63029116 -65.31960504 Si 40.23975440 35.55577733 35.25284888 -2.80162065 -1.04233229 -3.95116735 Si 41.57116719 36.00454661 36.78983070 1.41607701 2.90267620 1.87693145 Si 42.51432400 36.93324962 34.69615509 -0.32328198 0.29906894 1.60441242 Si 43.42712388 38.91385061 36.22088890 7.74625220 -11.71174627 -11.22984501 Si 42.73578848 35.29825864 38.47892573 -10.76992973 -14.02648037 -3.45871217 Si 43.94092265 36.56606735 38.98245906 22.78125830 4.74679677 -5.91611430 Si 39.39630707 37.63789511 37.84544830 -14.66823226 27.57148932 -20.65359171 Si 40.96332197 38.14653243 38.64826398 18.59493077 6.08457061 8.84566388 Si 34.72941635 39.65017747 35.17843495 -4.78148326 -8.20764851 -2.70121066 Si 35.67994952 41.20201413 35.91957267 -7.40072675 -3.20989587 13.69130117 Si 36.83832478 42.32454839 35.07964709 14.75480115 13.20134468 -7.04947297 Si 38.61643991 43.32327578 36.40123177 -73.95218532 42.09169381 -49.90813779 Si 37.95366604 39.88968876 37.71888199 -24.77836141 -16.96196434 -18.09498097 Si 39.18297782 40.79320854 38.39174556 27.21002178 22.24041105 15.81719004 Si 35.30302897 42.85953330 37.63905551 -9.41898197 -6.26239453 -16.19649270 Si 36.24427906 43.37779151 39.11824152 5.39446496 10.04895049 10.86197098 Si 40.63153922 40.45221119 35.16239131 -13.34492589 -9.41823441 -18.55065281 Si 41.60365422 41.12475624 36.46651109 -6.50004001 33.13020357 -0.46937821 Si 41.65903605 43.33357737 34.74691298 0.39169289 -1.15492561 1.09526968 Si 43.62645804 43.01529842 36.36792425 -1.12835543 -1.00736270 0.18085738 Si 42.58087455 40.09122498 37.35935114 6.37279544 -15.86829932 23.97678961 Si 43.73510397 41.07781524 38.65337001 3.68243602 5.98446529 5.12686485 Si 39.66448343 42.68403127 37.11226018 73.01357800 -45.11912447 49.91347845 Si 40.97555741 43.31914392 38.89352680 -30.52528280 11.74743454 -18.68532612 Si 34.79982066 35.07367197 39.04841791 1.29103992 0.54318637 0.75690704 Si 36.13897766 36.35282927 40.68258771 -1.60109669 -3.08676789 0.69027623 Si 37.00297454 37.99791377 39.62151619 36.79065049 -107.97178943 51.21580929 Si 38.27194644 38.51894432 40.89808557 8.69710795 2.45596233 11.89859191 Si 37.27802779 34.89707798 42.78076306 -0.96752195 0.14520301 -1.08616481 Si 39.08450338 35.75571598 43.82529712 -5.74384085 -6.50163109 5.88961845 Si 35.41072149 38.40165215 42.83367529 -133.16546013 -84.85396896 -116.62964870 Si 36.22422232 38.91950201 43.54655608 107.89094845 62.19111779 131.14331191 Si 39.86303500 35.18273192 40.63123922 -7.00981693 -2.92992097 -4.63486330 Si 41.48837336 36.00831489 41.43404765 -25.97049726 57.20095563 -26.81383580 Si 42.84911873 37.42573337 40.17872156 -38.38289369 -28.86355854 -19.45902376 Si 43.60556472 38.49425818 41.03735392 28.61849031 32.91624653 26.41289735 Si 42.20384740 34.85081933 42.03810700 31.42827998 -57.06146513 24.17848026 Si 43.40483238 35.47028553 43.56460464 3.63091050 1.79554217 4.60242263 Si 40.24150778 37.00409575 42.88390785 3.89714575 8.00490842 -3.96926384 Si 40.95198476 39.00576363 43.68573388 4.24332851 -3.46527151 -0.66174816 Si 35.14758552 39.78870018 40.00686066 -11.41677152 7.53838227 8.78817771 Si 35.80085817 42.04657078 40.80638853 4.09551978 -11.52686798 -10.54062002 Si 37.82350393 42.21827495 39.80335328 -8.37787405 -21.37559035 -17.99251195 Si 38.63834321 43.28337470 40.87827378 17.68600362 17.62197612 20.33930807 Si 37.36102597 39.94186987 42.87644269 26.22489795 22.31587185 -14.91215836 Si 39.69225143 40.63183112 43.95736664 -3.92630199 5.19588110 -1.15998523 Si 35.04200871 42.98730845 42.19801729 -21.12316440 -0.69154923 0.10056340 Si 36.22062300 43.77377768 43.28993392 13.99348825 9.27494871 12.91940695 Si 39.81899047 40.03247668 40.85421832 -25.14240079 -29.31605461 -9.39964482 Si 40.89974943 41.22892384 41.12165250 61.95485103 -26.62812370 -57.21834094 Si 42.34497277 42.80178516 39.71375535 31.15409191 -12.68512524 18.73278945 Si 43.91609134 43.82709812 41.74953070 -1.52379960 -0.44213114 -0.38948046 Si 42.76961237 40.00036892 42.15602423 -4.87678896 3.79222257 1.38106992 Si 43.46907250 41.19521481 43.88955235 0.24735303 1.80749772 1.36375880 Si 40.39757659 42.11536967 42.13716159 -34.67114246 57.80116975 65.86993279 Si 41.75211220 43.77016552 43.57819544 0.78306948 -1.63870406 -1.15239168