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=216.21761458461825 stress="-0.003479930244715699 9.408007925266389e-05 -0.0013010216322619545 9.408007925266389e-05 -0.00352411723029375 -7.738328587873502e-05 -0.0013010216322619545 -7.738328587873502e-05 -0.0032626808968907995" pbc="F F F" W 35.22086729 34.98310996 34.77096654 -9.43608281 -6.30364815 -8.57042898 W 36.59933616 35.93572417 35.98055861 -27.48191944 -76.94308485 56.56416057 W 37.14715992 37.22516294 35.23402360 -3.51838468 27.90259482 -97.05642023 W 37.93229823 38.31172061 36.19084223 36.57935901 50.26557786 41.72432205 W 37.29465675 35.14771729 38.20399864 -4.28994719 -12.66128212 -8.98572098 W 38.85840215 36.26405997 38.83490027 2.21857214 34.08860031 -24.98403358 W 34.76884260 38.20444678 38.02575960 -5.14189341 -3.63516118 -6.44515014 W 36.55604684 39.07636534 38.99475015 -74.30763900 198.32341463 -117.82563833 W 40.23975440 35.55577733 35.25284888 -10.97193492 -1.34310451 -9.31441409 W 41.57116719 36.00454661 36.78983070 -30.65302091 24.10507242 -14.53625917 W 42.51432400 36.93324962 34.86420263 -26.60744693 -26.49765028 -22.32212290 W 43.67982227 38.09302613 35.62638390 27.75350575 27.45053176 20.75020025 W 42.81964364 35.29825864 37.81763365 28.02749148 -36.52374085 19.59881678 W 43.94092265 36.74148200 38.74571310 146.13412432 -15.29740526 -104.65301596 W 39.98494301 38.03035042 37.35954479 -4.39437366 -2.07018287 -9.08214770 W 41.41987829 38.71446762 38.75674087 4.76356131 2.33455286 12.07901847 W 34.71438530 40.36150737 35.14218700 -67.36343276 -23.36892465 -63.50150353 W 35.83966317 40.75635164 36.21696173 64.48824136 15.98707234 69.67251801 W 36.92616544 42.30861451 35.01570212 1.20828876 3.72332120 -3.77259888 W 38.61643991 43.32327578 36.40123177 -134.46743967 83.97203659 -89.97480519 W 37.95366604 39.88968876 37.71888199 -44.78030905 -26.06874671 -35.83478299 W 39.18297782 40.79320854 38.39174556 58.13531562 41.20625689 20.79239701 W 34.98481081 42.83814538 37.63905551 -14.03920632 -24.39369038 -43.34812492 W 35.51263451 43.66349090 39.11824152 15.51238294 22.91171395 44.05301838 W 40.47506249 40.11044668 35.08823643 -10.27259929 -7.80343791 -7.89878440 W 41.60365422 41.12475624 36.46651109 -35.47695535 45.63347699 -21.85437761 W 42.13394120 42.99269121 35.43802235 -12.73204506 -0.37579635 -12.79150971 W 43.68701492 43.70706248 36.51627956 12.56936322 5.16740073 11.19176932 W 42.58087455 40.09122498 37.35935114 35.92934488 -51.77445543 29.87471682 W 43.90613398 41.55066690 38.06735362 9.04873120 10.85640245 3.85310657 W 39.66448343 42.68403127 37.11226018 132.54220805 -82.18392268 84.99215970 W 40.97555741 43.31914392 38.89352680 -58.15231506 22.48572717 -32.65254967 W 35.41842707 35.38305112 39.19257121 -10.81980829 0.22899238 -2.78541069 W 35.74317334 36.09374280 41.26851604 -15.95123373 8.81404998 -21.98896143 W 37.00297454 37.99791377 39.62151619 81.68547813 -212.31901451 114.76169318 W 38.30891351 38.51894432 41.34725891 -2.11391658 -15.24983040 13.36491574 W 37.06390864 35.07793545 42.11036542 25.00272624 -19.10298512 14.70241769 W 39.08450338 35.75571598 43.61510914 -17.86556941 -17.06337063 3.39620506 W 34.99655912 37.47937773 42.51668654 -12.50461447 8.02392177 6.15411784 W 36.22422232 38.91950201 43.54655608 -44.09536132 -37.87261510 35.12643240 W 39.48112682 35.26114691 40.25032740 11.22006702 -22.30805022 32.73923190 W 41.48837336 36.00831489 41.43404765 -64.71681947 110.95313410 -60.61817560 W 42.84911873 36.97899084 39.63883856 -136.82947303 22.90300366 107.00653644 W 43.60556472 38.49425818 41.03735392 1.83937609 4.24908983 5.21099256 W 42.20384740 34.85081933 42.03810700 68.58162657 -113.24017501 58.01029755 W 43.84823505 35.76394447 43.60853791 -1.96364611 1.21669838 -1.17391287 W 40.51397138 37.00409575 43.20571621 14.77159896 16.83210970 -1.85127996 W 41.25741758 39.06202965 43.98598378 6.40591441 3.55782473 0.71307835 W 35.05370384 39.95662146 40.02567089 -32.63928303 -28.88449851 -19.92329700 W 35.64418629 41.24709340 41.08813660 19.25249230 36.49757573 30.35267725 W 37.82350393 42.21827495 39.80335328 -30.45617080 -39.15857183 -39.93586925 W 38.63834321 43.28337470 40.87827378 27.22356293 40.49859199 39.56329226 W 37.36102597 39.94186987 42.87644269 43.42081147 49.19231601 -30.86038635 W 39.33637875 40.35003375 43.92675119 0.89850598 2.06160592 0.34813830 W 34.73941240 42.81522600 42.59774323 1.29791024 2.69493161 2.08412307 W 37.01923225 43.67650819 43.69035511 -1.09401713 -1.58715565 -3.15376677 W 39.50420345 39.82002111 40.28192458 1.28260783 -2.72065005 -2.19897882 W 40.89974943 41.22892384 41.12165250 63.34978622 -100.55565401 -119.12702874 W 42.34497277 42.80178516 39.71375535 62.04036300 -22.21780973 37.01816755 W 43.91282868 43.75484312 41.85766015 -3.60872238 -3.81112413 2.35826110 W 42.93254863 40.60408419 42.31583657 -4.71753087 -9.35131836 -26.07388376 W 43.40100039 41.34897719 44.00395371 5.26681162 14.80536718 25.35743402 W 40.39757659 42.11536967 42.13716159 -57.62059487 106.65721247 123.70368890 W 41.59790219 44.01013910 43.69410650 2.63357795 -2.91312099 -2.02256491