64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=41.330679648385576 stress="-598.1315414290403 -49.57885929926084 -243.3458628458343 -49.57885929926084 -579.6708372938541 35.45713803224692 -243.3458628458343 35.45713803224692 -475.2722295459578" pbc="F F F" Pd 0.22086729 -0.01689004 -0.22903346 -6.26141250 -6.50203965 -7.83720577 Pd 1.15142137 0.93572417 0.98055861 -4.84377638 -18.43144609 21.37149239 Pd 1.67756578 2.22516294 0.23402360 8.76630581 24.20216923 -15.05101969 Pd 3.60714772 3.38846909 1.18004449 -11.88732874 3.75986294 -19.83107063 Pd 2.66099888 0.43120791 3.14671993 -59.62669641 -24.96156906 -37.57869044 Pd 3.78275119 0.88656467 3.85899891 54.38101715 28.72188891 27.29872359 Pd -0.13726968 2.66171571 3.07174639 -1.66933588 -1.57848869 -1.15287872 Pd 1.55604684 4.07636534 3.99475015 -36.59676467 85.27835601 -49.58901300 Pd 5.05873752 0.10223056 0.25284888 -0.33186981 0.48917639 -0.24382596 Pd 6.57116719 1.00454661 1.78983070 -7.55660311 1.77866672 -9.10948789 Pd 7.51432400 1.93324962 -0.30384491 -0.47394304 -0.03137567 0.22820448 Pd 8.42712388 3.91385061 1.22088890 10.10763690 -12.62910043 -8.13778307 Pd 7.73578848 0.79150318 3.24752218 -57.58965267 -29.68971060 -19.29132262 Pd 8.94092265 1.28827392 3.75986480 68.86454470 22.63840990 23.80590645 Pd 4.59592731 3.07886991 2.48008817 -0.14191214 -9.12137762 -1.92928915 Pd 5.62053955 3.32819731 3.74879789 15.46343059 3.32166587 19.00129752 Pd -0.17375207 4.49365118 0.42673195 -7.93586184 -7.89201064 -6.93079104 Pd 0.82447290 5.48365875 1.32972720 6.73841116 8.24317218 6.18701520 Pd 2.04272155 7.62085647 -0.28414312 -0.94027978 -0.99101021 -0.15981201 Pd 3.61643991 8.32327578 1.40123177 -49.37875443 31.29645907 -33.27978180 Pd 2.95366604 5.22421110 2.71888199 -61.39195514 -24.20911008 -22.58675760 Pd 4.18297782 5.79320854 3.10604617 63.85703845 25.56230092 22.92084132 Pd 0.55144207 7.98718444 2.56749592 -0.64664179 -0.77526288 -3.09093896 Pd 1.36908973 8.18551945 4.48051560 -4.46113063 8.86174450 -2.85173713 Pd 5.02960540 5.64290765 -0.29625796 -0.75975896 0.25140676 0.43379625 Pd 7.02950833 6.12475624 1.22392148 -22.89018598 58.52233535 -48.71576676 Pd 7.12348886 8.07934823 -0.15283233 -0.75428193 1.02005748 -1.23066604 Pd 8.48230473 8.41110275 1.62701071 0.07760056 0.00095493 1.00487252 Pd 7.42080033 5.09122498 2.07979447 9.68198112 -51.54658989 53.05953826 Pd 8.52852024 6.29193439 3.47251254 9.86860191 -2.47538293 0.63302240 Pd 4.66448343 7.68403127 2.11226018 51.22186828 -24.37538353 29.91125793 Pd 5.97555741 8.73320924 4.13407115 -4.83259098 5.14436801 0.31181646 Pd -0.34345548 0.45747797 4.97069233 -0.14997282 0.29042321 -0.67879440 Pd 1.50657936 1.42435429 6.02401715 -1.31115051 -0.23109401 0.29681099 Pd 2.00297454 2.99791377 4.62151619 37.56060357 -85.13859198 48.30570630 Pd 3.77234072 3.68613018 6.43796857 -4.26978777 -12.80268831 4.62675925 Pd 1.83462511 0.19609263 7.46322326 -0.46002987 -3.82700259 2.76674617 Pd 3.64096164 0.89741475 8.69480924 -2.98002906 -2.37647078 2.37457367 Pd 0.00811505 3.24481653 7.89302117 -17.22637011 -15.72176485 -10.38915009 Pd 1.10532765 4.23422129 8.54655608 0.24664758 5.94166769 21.89613630 Pd 4.53100435 0.07327613 5.32427134 3.91225602 -6.57745483 10.79651359 Pd 6.48837336 1.00831489 6.43404765 -19.91390098 34.77586719 -18.68197178 Pd 7.84911873 2.69155341 5.03246593 -14.79872415 -11.36116764 -21.57780819 Pd 8.44382035 3.49425818 6.20966815 14.17870458 16.70377617 25.51067181 Pd 7.20384740 -0.14918067 7.03810700 21.56232961 -36.61630573 18.15686434 Pd 8.83127293 0.71206028 8.58587175 0.37650628 0.72999343 0.36210873 Pd 5.07818382 1.91839384 8.08790297 2.67844865 3.83684396 -0.03787844 Pd 6.22478383 4.21689787 8.75234525 -3.45029097 -2.64989036 3.61340869 Pd -0.25662314 4.85362037 5.18467774 -12.00580266 -15.67165928 -1.52371983 Pd 0.46691157 6.32905582 5.50773197 5.61261182 10.41410859 0.45904461 Pd 2.64811637 7.01817168 5.27161489 4.63283962 -13.36889159 -3.24026852 Pd 3.34608634 8.28337470 6.31175621 3.51289617 9.90122321 7.51266738 Pd 2.36102597 4.94186987 7.67104226 11.63092191 9.52448621 -11.03877573 Pd 3.94369432 6.26792070 8.37416104 -1.64729612 -0.05831863 5.23271237 Pd -0.17241170 7.35295238 7.05413934 -1.20956432 3.66369673 5.44054086 Pd 1.70834461 8.95484767 8.58445220 0.13646010 -1.01391288 -1.04975545 Pd 4.70549175 5.04527080 5.72110304 -10.00991902 -7.91689893 -11.27215734 Pd 5.89974943 6.22892384 6.12165250 38.09184498 -22.90784248 -45.18933835 Pd 7.34497277 7.45681557 4.26778844 0.05796086 1.92351890 4.16577429 Pd 8.64260964 8.84306647 6.60697114 -1.11020660 -1.17061167 0.55550076 Pd 7.26459378 5.20201412 7.51948547 6.29768676 1.72417030 0.58540642 Pd 8.87725473 6.77735174 8.86983378 -1.14295224 0.75824521 -0.82900037 Pd 5.39757659 7.11536967 7.13716159 -17.87521229 46.04878309 45.84510062 Pd 6.49947850 8.65939049 8.93558996 1.01479116 -0.70937454 -0.56437515