108 Lattice="11.286464906014697 0.0 0.0 0.0 11.286464906014697 0.0 0.0 0.0 11.286464906014697" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.94188818571516 stress="-0.004697657921912098 3.547407930897294e-05 -9.64503176785897e-05 3.547407930897294e-05 -0.004657760859063977 0.000994822855579458 -9.64503176785897e-05 0.000994822855579458 -0.004976501790021219" free_energy=-216.94188818571516 pbc="F F F" Cu 0.03358502 0.02157252 0.02404267 -0.26686253 -0.23054607 -0.32810483 Cu 1.89785357 1.91215531 0.00248311 0.45512041 0.36787970 -0.58964223 Cu 1.89340813 0.03111158 1.84968639 0.50274961 -0.59101743 0.58930686 Cu 0.01520660 1.86972369 1.88318731 -0.55864807 0.58849955 0.45700920 Cu 3.79116807 0.01606123 0.00586336 -0.18086808 -0.38518809 -0.47855192 Cu 5.66286309 1.84640438 0.02225629 -0.13859826 0.81063725 -0.54372478 Cu 5.62246665 0.01369858 1.85580084 0.23953256 -0.53248369 0.66546729 Cu 3.75480849 1.87030597 1.85904024 0.13763547 0.87822851 0.69740115 Cu 7.56042695 0.03761668 0.00949575 -0.42580434 -0.61968934 -0.42672162 Cu 9.37339646 1.89805075 0.02079749 0.52393000 0.40184051 -0.47005698 Cu 9.42349335 0.02496242 1.88485978 0.28899142 -0.40461894 0.42524551 Cu 7.50056819 1.86473551 1.87558576 -0.56896098 0.71453125 0.87555163 Cu 0.00565139 3.74210280 0.00674929 -0.35461782 0.05974865 -0.27213651 Cu 1.85047531 5.63416039 0.02155991 0.60943650 -0.15832502 -0.45930319 Cu 1.86462326 3.73234353 1.90887982 0.95680960 0.34731018 0.44832303 Cu 0.00814822 5.61449422 1.90767578 -0.40478345 0.27555718 0.22645201 Cu 3.79443132 3.77464578 0.00870169 -0.28085203 -0.17075500 -0.33329251 Cu 5.60955661 5.60915247 0.03666509 0.32755784 0.25456213 -0.47750444 Cu 5.60588416 3.77628137 1.88685992 0.24568532 -0.25290630 0.70388584 Cu 3.75658545 5.64585890 1.85812629 -0.07829518 -0.15115674 1.12034911 Cu 7.50706160 3.76056491 0.02499387 -0.47695779 0.03566122 -0.38886249 Cu 9.37753687 5.65091317 0.03461508 0.53799147 -0.20829525 -0.43314442 Cu 9.40291135 3.73642342 1.89136507 0.39386638 0.25629676 0.42559112 Cu 7.53922110 5.64799091 1.85816561 -0.81931873 -0.19694421 0.95001036 Cu 0.02818808 7.55208359 0.00054837 -0.44154678 -0.61613987 -0.39762956 Cu 1.88547849 9.39994120 0.01973406 0.44638308 0.39646577 -0.56469957 Cu 1.91640494 7.48857414 1.86215587 0.31647885 -0.37435497 0.85406834 Cu 0.02850726 9.36968313 1.84417249 -0.41430808 0.42563936 0.62077393 Cu 3.78747139 7.51742014 0.02095455 -0.13590274 -0.44889987 -0.60166814 Cu 5.61395581 9.42007542 0.01371212 0.18773260 0.27797183 -0.32799669 Cu 5.65329602 7.54244083 1.85191170 -0.19520401 -0.70709376 0.89550356 Cu 3.72570829 9.41545995 1.85536904 0.34459358 0.34800822 0.65341564 Cu 7.54724257 7.49745540 0.03035666 -0.77240158 -0.17827991 -0.67684143 Cu 9.40437469 9.37277572 0.03403377 0.19744580 0.23599608 -0.19835716 Cu 9.38899505 7.51313392 1.90115518 0.58324749 -0.23424154 0.55556151 Cu 7.51493695 9.39101555 1.90153377 -0.40327320 0.55501833 0.23942854 Cu 0.02445155 0.02552345 3.73190977 -0.31669840 -0.30502785 0.14911186 Cu 1.90509039 1.89152503 3.76281463 0.39364907 0.50547896 0.12680071 Cu 1.86517929 0.00946153 5.62759845 0.61856443 -0.36851995 -0.17915519 Cu 0.00680990 1.90501405 5.66771433 -0.36324863 0.50825572 -0.32632570 Cu 3.78915051 0.01980059 3.72014562 -0.22674622 -0.43123437 0.20353292 Cu 5.61035864 1.89049048 3.77179860 0.28852971 0.67968538 -0.26823790 Cu 5.63436843 0.01028385 5.61983062 -0.02502832 -0.35976694 0.24695662 Cu 3.77809675 1.88076529 5.60804902 -0.23756593 0.60600783 0.39972401 Cu 7.49589508 0.01268256 3.78746875 -0.25522633 -0.36882762 -0.20050394 Cu 9.40000881 1.88665482 3.74388276 0.33732556 0.31182854 0.23560377 Cu 9.41017857 0.01167013 5.67321155 0.25577311 -0.19653432 -0.23052925 Cu 7.50457041 1.90535343 5.60758779 -0.28347636 0.50541090 0.20918622 Cu 0.01424547 3.79500960 3.74673212 -0.33697806 -0.24369034 0.32380637 Cu 1.87744409 5.67184243 3.78432976 0.86942323 -0.23467368 -0.29552538 Cu 1.88955025 3.78558853 5.63209737 0.57660333 -0.19612162 0.22107263 Cu 0.02864231 5.67527729 5.64587367 -0.39405040 -0.23694876 0.06100262 Cu 3.77979655 3.74128658 3.78465347 -0.11975445 0.38661551 -0.20402963 Cu 5.65297287 5.62069419 3.74430210 -0.12238044 0.13795916 0.14241149 Cu 5.66644110 3.75261245 5.66791644 -0.27613442 0.14724849 -0.23698963 Cu 3.73781278 5.64607053 5.61896210 0.29200836 -0.16352788 0.20899011 Cu 7.53714270 3.76467999 3.73531646 -0.77583173 0.08712559 0.06670799 Cu 9.40091915 5.67961246 3.76880181 0.13919263 -0.20855926 -0.03316557 Cu 9.41983522 3.79684166 5.61137983 0.22810968 -0.19396010 0.13963173 Cu 7.50405694 5.59868056 5.67608060 -0.52774994 0.34411962 -0.36989754 Cu 0.01716964 7.53137378 3.77429837 -0.39722581 -0.33168717 -0.24510774 Cu 1.90841763 9.43153016 3.72951849 0.19408857 0.27119666 0.13994675 Cu 1.87733949 7.55206467 5.60686780 0.87818847 -0.68321744 0.23780919 Cu 0.00699650 9.37166646 5.66994371 -0.31678909 0.52799569 -0.24667116 Cu 3.78553293 7.55130153 3.76932787 0.01606408 -0.78932783 -0.24751540 Cu 5.64878387 9.42023183 3.77235075 -0.12571025 0.30614630 -0.11441469 Cu 5.60940580 7.52208479 5.64069781 0.21693707 -0.75059314 0.08360728 Cu 3.77221869 9.42446715 5.62826746 0.04652338 0.25199602 0.14069789 Cu 7.49103877 7.53366560 3.76127982 -0.50460860 -0.77785232 0.21189316 Cu 9.37601210 9.43988068 3.77078980 0.25007314 0.20816106 0.03565536 Cu 9.39095246 7.53226455 5.62255866 0.25486159 -0.43375674 0.08764815 Cu 7.50360371 9.38871600 5.67423471 -0.43523119 0.35364237 -0.16282759 Cu 0.02985090 0.02900846 7.52006491 -0.60779946 -0.54947746 -0.31478124 Cu 1.85437132 1.85139859 7.53105337 0.92614970 1.18738257 -0.77280439 Cu 1.88707034 0.01514518 9.37453573 0.33603298 -0.56197118 0.59436923 Cu 0.03485543 1.88579128 9.42028767 -0.40021205 0.41721780 0.43673600 Cu 3.72868615 0.01357308 7.51101402 0.27797315 -0.37320151 -0.50711420 Cu 5.63663178 1.86630788 7.50934753 0.01084155 0.55517853 -0.51218218 Cu 5.63941160 0.01348083 9.40134428 -0.08958446 -0.29308497 0.19431855 Cu 3.73407006 1.88970949 9.39744614 0.22202807 0.40046702 0.42325514 Cu 7.56116377 0.02379934 7.52957093 -0.83999272 -0.46699368 -0.60528751 Cu 9.40193483 1.88036754 7.54088535 0.49755012 0.62867601 -0.66676462 Cu 9.37230189 0.02377021 9.38417446 0.28254253 -0.23654929 0.38571192 Cu 7.48760118 1.90365861 9.39670716 -0.35367470 0.40650617 0.55092493 Cu 0.00768601 3.77440939 7.55831660 -0.34724096 -0.03892662 -0.63996537 Cu 1.86505526 5.63194788 7.54799847 0.78464942 0.18744786 -0.88622406 Cu 1.90534407 3.79818603 9.41856257 0.35290253 -0.33710814 0.35002673 Cu 0.03087320 5.61799201 9.42155265 -0.41916408 0.23394237 0.33193852 Cu 3.79308401 3.73693142 7.54867652 -0.43896110 0.06709718 -1.11248530 Cu 5.64757597 5.59206562 7.53583933 -0.14727195 0.38434302 -0.79938238 Cu 5.62631147 3.79403473 9.37339507 0.19163127 -0.18882139 0.53683148 Cu 3.74463201 5.62134443 9.38461473 0.18517040 0.26941301 0.39263049 Cu 7.55409853 3.74843352 7.53667387 -0.69988978 -0.01295386 -0.71977813 Cu 9.39159635 5.66971662 7.52288737 0.53391919 -0.13118518 -0.61241514 Cu 9.38987170 3.77486192 9.38149868 0.38915408 0.00917269 0.42221843 Cu 7.55191476 5.67594879 9.36845199 -0.59414885 -0.20210142 0.60255125 Cu 0.00909571 7.54587276 7.51025265 -0.38060355 -0.62301871 -0.04991775 Cu 1.90740376 9.38444642 7.50189357 0.45502524 0.42651553 -0.20318565 Cu 1.88797081 7.53197538 9.44282993 0.42204194 -0.42001147 0.26393331 Cu 0.02725317 9.42336771 9.42028496 -0.11806177 0.14235768 0.07255864 Cu 3.77899443 7.48972037 7.51977361 -0.07544332 -0.40801675 -0.57106921 Cu 5.65506195 9.42241419 7.54776943 -0.09125762 0.26433852 -0.53095991 Cu 5.65257178 7.52490068 9.40836910 -0.17897635 -0.60341279 0.33725072 Cu 3.78787968 9.40193219 9.39421757 -0.09464372 0.25287421 0.27718310 Cu 7.50322346 7.50380864 7.52894480 -0.51063846 -0.32499036 -0.72142984 Cu 9.38836310 9.42494720 7.51664777 0.29162695 0.25588982 -0.31883237 Cu 9.44113222 7.53309044 9.38220774 0.36814420 -0.28760766 0.33589481 Cu 7.54259158 9.37339796 9.43837416 -0.33328361 0.33664945 0.29023928