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=329962.20273120503 stress="-3.539021010278179 -2.03859829333876 0.5723113152006271 -2.03859829333876 -4.414796222220271 -0.23733312136331475 0.5723113152006271 -0.23733312136331475 -3.7807907500469127" pbc="F F F" Cm 35.17680705 35.13020445 35.28390412 -2242.09933176 -2071.87964389 -3272.86192646 Cm 36.19252842 36.06886935 36.78688217 -2732.69757544 2581.15754455 1104.17018844 Cm 37.27323096 37.05700869 35.18328242 967.57477025 884.12689745 -1465.49493114 Cm 39.06641615 39.01374583 35.98601525 -51562.16246090 -87389.76661546 38652.94708096 Cm 37.76639431 35.45399564 37.86552946 -20413.39442572 -15916.14345015 -20067.86646554 Cm 38.94444197 36.12279017 38.95824653 8219.39324042 30530.47503727 -13927.54614795 Cm 34.75615115 37.00785459 38.34316417 -694.98829588 695.53060357 233.82029389 Cm 36.71940436 39.05496583 38.42418454 -68215.93148798 -48700.84558533 55990.31535890 Cm 39.86712264 35.00683676 34.66254724 -52.65441704 -40.42886307 -19.39378254 Cm 41.57660840 36.69029881 36.53379082 83512.00179601 95846.39046747 -62993.66176353 Cm 41.81992241 37.01476839 34.89534045 7961.00711628 10623.85751171 -53452.60418297 Cm 43.04009437 39.18808634 36.36022234 78289.55355894 -30704.81191929 -194571.85919458 Cm 41.74094125 35.20896137 37.00867544 15920.98082398 -141240.36593808 45118.76245870 Cm 43.53938898 36.47603749 39.20627438 4278.89229044 -3743.75307930 -4541.17273774 Cm 40.30773452 37.09761278 37.37802214 -106816.94842836 35069.05785766 70792.65501703 Cm 41.35395842 39.56113290 39.03663973 -28498.08355311 3164.83874214 33443.90097595 Cm 34.93089923 39.96093820 34.73719857 -5.09314427 -14.23788916 -12.17663950 Cm 36.23338279 41.54647820 36.83411515 8760.23535317 -10185.65766805 -9570.01241492 Cm 37.55705488 42.48130722 35.07945535 -142.82950465 -205.82638272 -778.57195998 Cm 38.98158105 43.82878057 36.35327273 -678.59743502 2017.19950958 -1637.18514116 Cm 37.80803526 39.83470143 37.52807530 66699.21132666 48386.60693146 -54979.59653241 Cm 38.72071306 41.67483521 38.43659845 -111449.07702290 -94346.07607584 55270.00897572 Cm 35.22112598 42.66243515 37.90007586 -38463.22142641 -22775.27776412 -37032.99834425 Cm 35.97638576 43.51964860 39.11510719 24703.54896591 35910.60669088 42704.35819601 Cm 39.84139319 40.28491719 35.39528397 -137618.42293201 -155450.84397817 -171166.62460834 Cm 40.67788639 41.34817354 35.97021920 190437.32197911 241873.11609081 130683.52796536 Cm 43.00492105 41.97080716 35.07640210 -337.67950427 -1912.34624002 -1276.14129721 Cm 43.46391999 43.75214923 36.17325750 501.53500411 1962.15822466 1213.67964210 Cm 42.47805785 39.40885082 37.75767367 -47694.23505480 26532.01362953 159747.46689983 Cm 43.40112136 41.68331026 38.89986321 2830.81411887 -903.99425844 -3065.49807530 Cm 39.81844738 42.62923946 37.88090651 105299.15844607 89127.75423907 -59348.51548525 Cm 41.05414404 43.73439327 38.83274890 6785.59933650 6465.13760098 5032.26702285 Cm 35.43091542 35.17868342 39.73401979 -212.05420198 -863.84835425 -241.67607221 Cm 36.25547434 36.48731530 41.50290733 2240.11648460 3164.16231108 -15543.06704974 Cm 37.12695333 37.17580008 40.06185595 9513.45287057 8040.53742633 -15838.27571015 Cm 39.49823122 38.79578535 41.42337486 -5656.42595109 5470.17674313 -4516.50170606 Cm 37.29907214 35.08968209 41.85493659 16108.62675494 -21683.35586415 5540.45271323 Cm 38.95084742 36.29944243 44.02125438 -158.03563122 -128.14049459 173.69493486 Cm 35.05669322 36.96039277 42.65448599 -28674.25375402 9170.72467567 26027.15410814 Cm 35.73975552 38.82324897 43.49521795 578.27719431 1770.47014679 924.73828635 Cm 39.58817202 35.46350312 40.40587970 15564.51932131 -17452.62764599 37107.47129714 Cm 41.65067128 36.26642399 40.80003620 -102487.89258577 -173268.96718698 51082.36905733 Cm 42.40606675 37.53613710 40.42533253 98836.15062316 175820.78511754 -47772.22408343 Cm 43.05058040 39.37815697 41.38007421 7394.10485646 -17556.36724486 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419.58482530 320.12165183 Cm 39.51952123 40.26638803 39.85628899 -1739.81148946 819.00646656 563.43220046 Cm 41.48414552 40.89688801 41.09638548 -56999.32931292 -119552.05055416 68531.36988320 Cm 42.06907191 42.15849137 40.38242130 53484.37679591 121762.59873939 -65209.29644426 Cm 43.63499841 43.89006038 41.73780094 48.27497570 52.95789435 44.85365632 Cm 42.86452600 39.97056605 42.95849120 -101613.13236800 -53019.15972874 -10473.00411738 Cm 44.08614663 40.84672889 43.39451033 115089.52255786 82572.81838437 41121.66983061 Cm 40.44259970 41.81144016 43.32842246 6447.03442619 -4545.63189739 -1821.57100294 Cm 40.92242219 43.70148217 43.89898395 1136.60726652 4445.38382261 1337.97250261