108 Lattice="11.34875254873085 0.0 0.0 0.0 11.34875254873085 0.0 0.0 0.0 11.34875254873085" Properties=species:S:1:pos:R:3:forces:R:3 energy=-348.00854238832926 stress="-0.00908318239421251 0.00040381840195138674 -0.0003353492782380307 0.00040381840195138674 -0.009062002597563143 0.00013331393931427632 -0.0003353492782380307 0.00013331393931427632 -0.009138272655366948" free_energy=-348.00854238832926 pbc="F F F" Pd 0.03249128 0.01025630 0.01537085 0.63839544 0.66688418 0.65704048 Pd 1.86859013 1.90894947 0.00451971 -0.12650451 -0.24039744 -0.39308049 Pd 1.91605857 0.02291792 1.86403776 -0.31022209 -0.31046943 -0.07855993 Pd 0.00599315 1.85893165 1.92374104 -0.24768423 0.05280854 -0.32439576 Pd 3.80311980 0.01738178 0.03105142 -0.09885807 0.30371903 0.28125876 Pd 5.63769430 1.89181064 0.02842184 0.33613663 -0.29556333 -0.53838549 Pd 5.67706217 0.02356758 1.92229862 -0.15069061 -0.59349333 -0.43152367 Pd 3.74904375 1.92714585 1.86589747 0.22243716 -0.69982968 -0.07583691 Pd 7.58793967 0.02968982 0.03288097 -0.00427025 0.49755593 0.46485392 Pd 9.46379990 1.89572954 0.01740290 -0.62258593 0.02523513 0.65505941 Pd 9.44982016 0.03615944 1.90482288 -0.43865640 0.45337042 -0.06790287 Pd 7.54296923 1.85951723 1.91317016 0.63284650 0.18371483 -0.70131550 Pd 0.02898799 3.79031899 0.02984912 0.32536883 0.00350097 0.41267567 Pd 1.91675910 5.68617954 0.00521594 -0.27878884 -0.19122205 -0.29574590 Pd 1.90118431 3.74738742 1.90322598 -0.51552970 0.51323037 -0.34681798 Pd 0.00402786 5.66268665 1.92472003 -0.18779854 -0.03270166 -0.39882849 Pd 3.81173163 3.79104481 0.00716912 -0.43406588 0.01353808 -0.73035685 Pd 5.64097586 5.67477865 0.00918979 0.19413254 0.16392475 -0.80877207 Pd 5.64903515 3.80403342 1.84299423 0.52221136 -0.25155587 0.18769642 Pd 3.80666501 5.69624711 1.90023650 -0.40920896 -0.10851679 -0.32188180 Pd 7.55818677 3.78351807 0.00879922 0.38977759 -0.09466706 -0.27273458 Pd 9.48737234 5.70266498 0.01641797 -0.45267358 -0.11899620 0.44985960 Pd 9.45734890 3.80271655 1.92800463 0.32198998 -0.06130491 -0.68029964 Pd 7.53691520 5.70414025 1.84859873 0.70353510 -0.43349282 0.17210354 Pd 0.03136385 7.53441024 0.02293030 0.35344599 0.04071020 0.47581654 Pd 1.86260005 9.42543741 0.02925176 -0.02705171 -0.31182959 0.23316681 Pd 1.91829652 7.56577714 1.85497073 -0.58279082 0.08615682 0.03687770 Pd 0.02900106 9.44261537 1.89037634 0.40413320 -0.49193869 -0.02690948 Pd 3.79234173 7.56639537 0.01858334 0.04737920 0.21616279 -0.59961219 Pd 5.65921919 9.42511685 0.02862139 0.18720100 -0.36630755 0.39147495 Pd 5.71700776 7.55060715 1.90736944 -0.28064885 0.77836321 -0.07140406 Pd 3.74991387 9.42732102 1.86463315 0.28278242 0.46301219 0.05095846 Pd 7.57879522 7.52884856 0.02688086 0.21047651 0.50391865 -0.49841319 Pd 9.43845697 9.46757593 0.03329251 -0.66352424 -0.77042364 0.70959680 Pd 9.44861053 7.54825092 1.92491655 0.41951891 0.12702559 -0.39450253 Pd 7.60248073 9.45107855 1.89508844 -0.13815618 0.21276751 -0.18010575 Pd 0.03711053 0.04419402 3.79352276 0.17657635 0.04109681 -0.13813153 Pd 1.89327945 1.91110516 3.81556135 -0.19275976 -0.25069782 -0.12751656 Pd 1.89561859 0.03317507 5.63746545 0.00459037 -0.61317792 0.28158985 Pd 0.01489773 1.84023004 5.69006594 -0.50454059 0.25331297 -0.01411137 Pd 3.75533723 0.01347122 3.75249796 0.16964924 -0.30830668 0.12004143 Pd 5.70965348 1.88993829 3.75409656 -0.32135694 -0.09018531 0.32250898 Pd 5.64484257 0.02575146 5.70968260 0.05887984 -0.62639989 -0.22563777 Pd 3.81424058 1.92112054 5.71190198 -0.19390942 -0.43456320 -0.49616098 Pd 7.54872595 0.00381402 3.76556996 0.34662619 -0.44783486 0.25138250 Pd 9.45447632 1.92488634 3.76758233 0.39860201 -0.46114419 0.12298963 Pd 9.42575791 0.03679444 5.64268646 -0.32093385 0.40216365 0.07852404 Pd 7.54552862 1.88312497 5.70828284 0.52658323 -0.19270464 -0.26269154 Pd 0.01967340 3.80048921 3.80695410 -0.50583212 -0.16705359 -0.07403923 Pd 1.91279985 5.70020925 3.81227359 -0.42598450 -0.35451907 -0.44280203 Pd 1.88805936 3.81860111 5.70171579 -0.16627132 -0.59691722 -0.28726160 Pd 0.03384438 5.64363796 5.71329511 -0.91354307 0.22303390 -0.22985686 Pd 3.80335202 3.75754674 3.75688228 -0.19668136 0.14672237 0.34771131 Pd 5.64858822 5.64976537 3.77477895 0.36565314 0.30654780 0.09194195 Pd 5.70387433 3.82485296 5.65685430 -0.15589929 -0.27363699 0.13225636 Pd 3.76104654 5.69282606 5.70438822 0.40797108 -0.34704867 -0.11299611 Pd 7.63337415 3.78709400 3.77356584 -0.45849056 -0.00322719 -0.22802731 Pd 9.49221378 5.64537303 3.80240058 0.49526504 0.24781121 -0.24978705 Pd 9.42268050 3.80744094 5.66856927 0.68219176 -0.30675239 0.33156461 Pd 7.56620783 5.66987893 5.64389895 0.14874327 0.23689406 0.37997164 Pd 0.01758624 7.54251226 3.73961887 -0.38736813 0.25329903 0.15730197 Pd 1.89605679 9.43338929 3.76443307 -0.15966215 0.39912151 0.06510326 Pd 1.88931580 7.54742946 5.68133266 -0.29327434 0.76508765 0.06824519 Pd 0.02641972 9.42238479 5.62890785 0.35794942 -0.33260581 0.05474271 Pd 3.75916475 7.54561738 3.80795210 0.33687830 0.68813153 -0.23574269 Pd 5.63778684 9.48888626 3.81044499 0.27900110 0.10607156 -0.23099070 Pd 5.63699436 7.58185247 5.70992036 0.56832868 0.16216307 -0.47801355 Pd 3.80169536 9.46562119 5.68992157 -0.38294608 0.45408735 -0.00838900 Pd 7.61314208 7.55728870 3.80230673 -0.35955649 0.43915260 -0.04528020 Pd 9.44790872 9.42976788 3.72514201 -0.26506766 -0.22439251 0.21254626 Pd 9.41958835 7.53080436 5.66169461 0.62365369 0.55561833 0.18876679 Pd 7.57600543 9.48552932 5.70039530 0.18229885 0.21109006 -0.16979104 Pd 0.00415692 0.03717645 7.54377673 0.50732293 0.33002613 0.17164002 Pd 1.90871669 1.87647323 7.56788875 -0.40498131 -0.27165072 0.19709713 Pd 1.90218049 0.02461928 9.43236193 -0.14753955 0.43322998 -0.35026686 Pd 0.02401661 1.89012644 9.43317854 0.36826757 -0.18691857 -0.35947809 Pd 3.73903554 0.00795273 7.58656863 0.20924106 -0.52662150 0.11409739 Pd 5.65519982 1.89588266 7.55249701 0.27985563 -0.26890998 0.64532472 Pd 5.69330776 0.02527655 9.46818647 -0.07301822 0.22340214 -0.46681525 Pd 3.81851922 1.89191486 9.43188269 -0.13803528 -0.19839760 0.61615162 Pd 7.57952660 0.02513855 7.56282990 0.17520686 -0.31858598 0.22272335 Pd 9.48574691 1.91153179 7.59639689 -0.00664762 -0.18350035 0.12559351 Pd 9.42035584 0.00423143 9.44409214 -0.62860295 0.66917042 -0.64129176 Pd 7.53287259 1.83110373 9.48435396 0.35443026 0.30529855 0.04568971 Pd 0.02227602 3.72812030 7.57732287 -0.56830420 0.18160275 0.24539543 Pd 1.87476049 5.66075538 7.53321380 -0.22867632 0.11025655 1.08188136 Pd 1.87766293 3.75268019 9.43160874 -0.15084003 0.18296799 0.51129342 Pd 0.01828741 5.74291986 9.48594560 0.44382948 -0.18024237 -0.57701229 Pd 3.77124900 3.76525325 7.56783203 0.23403183 0.38031037 0.36732421 Pd 5.71103251 5.70094717 7.58696090 -0.03327906 -0.14272415 0.27078749 Pd 5.64988284 3.81915009 9.46386106 0.26562713 -0.20968530 0.44221285 Pd 3.77127402 5.64984054 9.46563679 -0.15791676 0.17024342 0.36443327 Pd 7.54605903 3.76784838 7.57949602 0.57262255 0.04689276 0.59573474 Pd 9.45642057 5.68388248 7.54992964 0.14356061 -0.02849101 0.41048121 Pd 9.48673479 3.79690176 9.45596269 -0.66442024 -0.04068932 -0.51383194 Pd 7.56709212 5.69871424 9.48320211 0.32936633 -0.06214113 0.16035460 Pd 0.02731086 7.56352098 7.53453956 -0.45998413 0.31179766 0.32079753 Pd 1.89846589 9.46555519 7.56598807 -0.22847905 0.18973653 0.01491043 Pd 1.86103375 7.58133583 9.42231496 0.09792788 0.06860303 0.32397424 Pd 0.03449062 9.42022007 9.46983912 0.62653396 -0.63395082 -0.69023714 Pd 3.80112090 7.53008093 7.58025014 -0.35818643 0.60620961 0.55763902 Pd 5.64175797 9.44237062 7.54596109 0.13908319 0.51700771 0.51051547 Pd 5.67522002 7.57008667 9.47921972 -0.05706658 0.28703471 0.27008582 Pd 3.72211130 9.48722713 9.42152974 0.12163930 -0.50973541 -0.36957824 Pd 7.58096778 7.62062455 7.56614852 0.23992953 -0.06431808 0.37878435 Pd 9.44584123 9.45817548 7.62225029 -0.49691468 -0.58145895 -0.03392966 Pd 9.44362277 7.54711124 9.46946533 -0.55752751 0.11570591 -0.56701397 Pd 7.53711741 9.45477300 9.44563985 0.10452089 -0.51460160 -0.48648289