32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=14811.133063680307 stress="-0.9348839917108852 0.015738379449513572 -0.008220496029903292 0.015738379449513572 -0.7247596856439358 0.06596947095340412 -0.008220496029903292 0.06596947095340412 -0.8016013828051529" pbc="F F F" No 20.81287380 20.93616707 21.07797215 -131.87432230 -118.44622679 -107.39964829 No 22.59005558 22.39971266 20.93679608 -3045.82133821 3095.55477279 -135.73122117 No 22.62415350 20.80100672 22.57572955 182.35539241 -354.62541388 -480.17382733 No 21.00362163 22.52600266 22.72971267 -849.36844609 -442.24977105 -1044.10980918 No 23.75418192 21.14215087 20.86881623 2946.27581662 -3658.34461471 -1008.70904000 No 25.17199021 22.93790248 20.82659817 1916.03206273 -1871.94736406 -1721.88566359 No 25.67492872 20.99431961 21.99885136 746.15681354 -663.97930423 -147.12046340 No 24.26693763 22.27259324 22.44287316 -2270.13657535 -196.57360925 -982.01887291 No 21.07371175 23.96802595 20.99149562 -217.01422868 -327.36360866 -616.83532377 No 22.69119426 25.42066342 20.87944420 -4098.98837533 3663.30188903 -1081.97238286 No 22.79675485 23.73313882 22.70453679 -1624.09154235 594.71173537 -3082.86299541 No 20.80492244 25.20944617 22.51785788 -822.93210408 3142.45388891 -3035.82686029 No 23.87836537 24.20048083 20.91613029 827.17847395 -3120.60269318 -1063.57392898 No 25.46553529 25.25123251 20.91453774 1278.75902406 1166.62266994 -794.74167023 No 25.29345903 23.98988597 22.40915743 962.75436513 413.55684840 1589.76598854 No 23.92492336 25.50585667 22.31630181 412.21247069 1376.95613278 1714.53368062 No 21.23525131 20.85331730 23.93914298 -878.16472889 -834.04264291 599.11075430 No 22.37010411 22.53523358 24.13241659 8210.33821353 -1646.06456560 -10166.68447632 No 22.72002975 21.27579555 25.74248472 -4055.98649798 -5546.60655745 2422.53411245 No 21.25159165 22.58571656 25.23951108 -13173.00795435 -2089.07238028 8644.68080341 No 23.96141371 20.74478959 24.18361883 -6616.42992126 -1164.74132499 -5715.35694006 No 25.35625266 22.35942015 23.85094482 2172.88704607 318.61446922 1799.08011153 No 25.22756668 20.84783186 25.20093238 7066.98918987 91.22342626 5927.41596370 No 23.75574436 22.51117652 25.33877199 6850.49496287 1310.94646216 1710.35631187 No 21.00972279 24.13837962 23.84691303 -898.31413041 -2890.03552450 3205.34034079 No 22.29374739 25.48229756 24.04095056 1078.57665012 1374.92840839 -403.81506470 No 22.45690316 23.69727588 25.76505116 1207.72421587 4301.78507667 2644.93800381 No 20.97422348 25.35025703 25.52051220 -537.82595123 292.99211279 791.14645972 No 23.81600458 23.78612090 24.14396639 2158.04443862 2442.27049597 -954.48516064 No 25.22023841 25.63025700 24.23597493 1814.23702524 2613.06241543 -3001.83120952 No 25.34751241 24.22422773 25.33620048 2224.57265055 -2837.42878437 2017.77808331 No 23.84195616 25.27912435 25.33249818 -2835.63269535 1563.14358177 2478.45394460