32 Lattice="7.371408462524414 0.0 0.0 0.0 7.371408462524414 0.0 0.0 0.0 7.371408462524414" Properties=species:S:1:pos:R:3:forces:R:3 energy=-115.18186479549402 stress="-1888.771122146989 301.8792564559857 -291.1039628274074 301.8792564559857 -2224.5584380509354 -1078.6998739074236 -291.1039628274074 -1078.6998739074236 -2483.136377852516" pbc="F F F" Hs -0.18884398 0.32038209 -0.15222566 -13.45603780 -49.10198157 -80.85322760 Hs 2.11519392 1.98367766 0.11660419 -13.64182593 5.94192778 -112.84045068 Hs 1.60561065 0.31471756 1.54608628 127.48409531 -180.79625514 83.96798602 Hs -0.06952275 1.70867165 1.64928729 -129.92639175 167.54072155 80.76844774 Hs 3.76353911 -0.00033535 0.10133607 -12.72111516 -23.31522385 -3.18357172 Hs 5.55420552 1.66153466 -0.02417145 19.27503009 26.62062730 -14.50603504 Hs 5.63705758 0.22618358 2.02829986 26.55466891 -34.02249106 16.43772920 Hs 3.87467577 1.81046506 1.89262542 -41.24271021 33.12035751 17.39961918 Hs 0.00062827 3.92084683 0.00820061 -41.01899616 -15.51291697 -40.09359957 Hs 1.74008902 5.71944192 0.07162123 8.06097043 7.93240851 -11.29243426 Hs 1.61709036 3.62780861 1.68088664 46.67554275 33.26252675 79.67682348 Hs -0.06956232 5.62747589 1.90933594 0.04268635 2.46293825 16.00696176 Hs 3.79461805 3.63348229 0.06607142 -54.57552949 -40.65653552 -89.18834317 Hs 5.37066787 5.40315387 -0.14751945 29.32737255 75.79737638 -64.81601572 Hs 5.47304127 3.90322551 1.59879960 103.07922008 -77.70589201 116.07728790 Hs 3.62353846 5.33089420 1.66825353 -44.06095230 67.54769209 64.15507649 Hs -0.12682030 0.35424116 3.89436591 -28.47224740 -127.62575864 -166.25784387 Hs 2.10493224 2.00040291 3.85695945 -36.22388986 -67.81897703 -125.59168788 Hs 2.00277927 0.07202071 5.40369102 -162.67109628 -55.97124351 158.77742307 Hs 0.22263945 1.70151832 5.53999514 -3.25517718 138.55317013 169.42487121 Hs 3.51719687 0.01842031 3.87605390 167.10124725 -42.85245399 -186.48417802 Hs 5.40369167 2.10688964 3.87576678 110.51900263 -536.81991633 -480.26964519 Hs 5.64687552 0.23649728 5.73054619 37.08753381 -28.86589878 -2.13344904 Hs 3.76244692 1.63100088 5.62994440 -14.15628801 68.27055653 59.10477082 Hs 0.11095713 3.54060956 3.68089628 -16.41188559 6.11048772 1.37960731 Hs 2.07821683 5.34593530 3.83703249 -145.39033678 18.69332708 -126.45233261 Hs 1.93516142 3.48712280 5.53085321 -6.80210505 76.86909047 98.87728479 Hs -0.15121004 5.60308509 5.50823935 7.67977819 -7.00165469 -6.17172723 Hs 3.80012392 3.66572514 3.85671434 -205.76032306 52.17109896 -229.11478530 Hs 5.62626825 5.57897988 3.75248396 3.80784840 0.31010179 -15.50409310 Hs 5.37135677 3.51166146 5.29221990 179.82437329 445.48035889 632.52372658 Hs 3.66855003 5.43551089 5.34161846 103.26753794 61.38243138 160.17580447