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=41.33067964838683 stress="-0.0017438237359447281 -0.00014454477929814937 -0.0007094631569849421 -0.00014454477929814937 -0.001690002441089965 0.0001033735802689356 -0.0007094631569849421 0.0001033735802689356 -0.001385633322291422" pbc="F F F" Pd 35.22086729 34.98310996 34.77096654 -6.26141250 -6.50203965 -7.83720577 Pd 36.15142137 35.93572417 35.98055861 -4.84377638 -18.43144609 21.37149239 Pd 36.67756578 37.22516294 35.23402360 8.76630581 24.20216923 -15.05101969 Pd 38.60714772 38.38846909 36.18004449 -11.88732874 3.75986294 -19.83107063 Pd 37.66099888 35.43120791 38.14671993 -59.62669641 -24.96156906 -37.57869044 Pd 38.78275119 35.88656467 38.85899891 54.38101715 28.72188891 27.29872359 Pd 34.86273032 37.66171571 38.07174639 -1.66933588 -1.57848869 -1.15287872 Pd 36.55604684 39.07636534 38.99475015 -36.59676467 85.27835601 -49.58901300 Pd 40.05873752 35.10223056 35.25284888 -0.33186981 0.48917639 -0.24382596 Pd 41.57116719 36.00454661 36.78983070 -7.55660311 1.77866672 -9.10948789 Pd 42.51432400 36.93324962 34.69615509 -0.47394304 -0.03137567 0.22820448 Pd 43.42712388 38.91385061 36.22088890 10.10763690 -12.62910043 -8.13778307 Pd 42.73578848 35.79150318 38.24752218 -57.58965267 -29.68971060 -19.29132262 Pd 43.94092265 36.28827392 38.75986480 68.86454470 22.63840990 23.80590645 Pd 39.59592731 38.07886991 37.48008817 -0.14191214 -9.12137762 -1.92928915 Pd 40.62053955 38.32819731 38.74879789 15.46343059 3.32166587 19.00129752 Pd 34.82624793 39.49365118 35.42673195 -7.93586184 -7.89201064 -6.93079104 Pd 35.82447290 40.48365875 36.32972720 6.73841116 8.24317218 6.18701520 Pd 37.04272155 42.62085647 34.71585688 -0.94027978 -0.99101021 -0.15981201 Pd 38.61643991 43.32327578 36.40123177 -49.37875443 31.29645907 -33.27978180 Pd 37.95366604 40.22421110 37.71888199 -61.39195514 -24.20911008 -22.58675760 Pd 39.18297782 40.79320854 38.10604617 63.85703845 25.56230092 22.92084132 Pd 35.55144207 42.98718444 37.56749592 -0.64664179 -0.77526288 -3.09093896 Pd 36.36908973 43.18551945 39.48051560 -4.46113063 8.86174450 -2.85173713 Pd 40.02960540 40.64290765 34.70374204 -0.75975896 0.25140676 0.43379625 Pd 42.02950833 41.12475624 36.22392148 -22.89018598 58.52233535 -48.71576676 Pd 42.12348886 43.07934823 34.84716767 -0.75428193 1.02005748 -1.23066604 Pd 43.48230473 43.41110275 36.62701071 0.07760056 0.00095493 1.00487252 Pd 42.42080033 40.09122498 37.07979447 9.68198112 -51.54658989 53.05953826 Pd 43.52852024 41.29193439 38.47251254 9.86860191 -2.47538293 0.63302240 Pd 39.66448343 42.68403127 37.11226018 51.22186828 -24.37538353 29.91125793 Pd 40.97555741 43.73320924 39.13407115 -4.83259098 5.14436801 0.31181646 Pd 34.65654452 35.45747797 39.97069233 -0.14997282 0.29042321 -0.67879440 Pd 36.50657936 36.42435429 41.02401715 -1.31115051 -0.23109401 0.29681099 Pd 37.00297454 37.99791377 39.62151619 37.56060357 -85.13859198 48.30570630 Pd 38.77234072 38.68613018 41.43796857 -4.26978777 -12.80268831 4.62675925 Pd 36.83462511 35.19609263 42.46322326 -0.46002987 -3.82700259 2.76674617 Pd 38.64096164 35.89741475 43.69480924 -2.98002906 -2.37647078 2.37457367 Pd 35.00811505 38.24481653 42.89302117 -17.22637011 -15.72176485 -10.38915009 Pd 36.10532765 39.23422129 43.54655608 0.24664758 5.94166769 21.89613630 Pd 39.53100435 35.07327613 40.32427134 3.91225602 -6.57745483 10.79651359 Pd 41.48837336 36.00831489 41.43404765 -19.91390098 34.77586719 -18.68197178 Pd 42.84911873 37.69155341 40.03246593 -14.79872415 -11.36116764 -21.57780819 Pd 43.44382035 38.49425818 41.20966815 14.17870458 16.70377617 25.51067181 Pd 42.20384740 34.85081933 42.03810700 21.56232961 -36.61630573 18.15686434 Pd 43.83127293 35.71206028 43.58587175 0.37650628 0.72999343 0.36210873 Pd 40.07818382 36.91839384 43.08790297 2.67844865 3.83684396 -0.03787844 Pd 41.22478383 39.21689787 43.75234525 -3.45029097 -2.64989036 3.61340869 Pd 34.74337686 39.85362037 40.18467774 -12.00580266 -15.67165928 -1.52371983 Pd 35.46691157 41.32905582 40.50773197 5.61261182 10.41410859 0.45904461 Pd 37.64811637 42.01817168 40.27161489 4.63283962 -13.36889159 -3.24026852 Pd 38.34608634 43.28337470 41.31175621 3.51289617 9.90122321 7.51266738 Pd 37.36102597 39.94186987 42.67104226 11.63092191 9.52448621 -11.03877573 Pd 38.94369432 41.26792070 43.37416104 -1.64729612 -0.05831863 5.23271237 Pd 34.82758830 42.35295238 42.05413934 -1.20956432 3.66369673 5.44054086 Pd 36.70834461 43.95484767 43.58445220 0.13646010 -1.01391288 -1.04975545 Pd 39.70549175 40.04527080 40.72110304 -10.00991902 -7.91689893 -11.27215734 Pd 40.89974943 41.22892384 41.12165250 38.09184498 -22.90784248 -45.18933835 Pd 42.34497277 42.45681557 39.26778844 0.05796086 1.92351890 4.16577429 Pd 43.64260964 43.84306647 41.60697114 -1.11020660 -1.17061167 0.55550076 Pd 42.26459378 40.20201412 42.51948547 6.29768676 1.72417030 0.58540642 Pd 43.87725473 41.77735174 43.86983378 -1.14295224 0.75824521 -0.82900037 Pd 40.39757659 42.11536967 42.13716159 -17.87521229 46.04878309 45.84510062 Pd 41.49947850 43.65939049 43.93558996 1.01479116 -0.70937454 -0.56437515