108 Lattice="10.40462146649022 0.0 0.0 0.0 10.40462146649022 0.0 0.0 0.0 10.40462146649022" Properties=species:S:1:pos:R:3:forces:R:3 energy=-413.2490503478586 stress="-0.005966240535956576 0.0004731363844527632 0.0003184501294092694 0.0004731363844527632 -0.006456102311434648 0.0007284480805596089 0.0003184501294092694 0.0007284480805596089 -0.00671585341826667" free_energy=-413.2490503478586 pbc="F F F" Ni 0.02782310 0.02104985 0.00726840 0.33350946 0.26550071 0.41167080 Ni 1.72918996 1.71201994 0.02712136 0.18276300 0.22512040 -0.31025075 Ni 1.76587512 0.00424924 1.76089992 -0.20044652 -0.31123421 -0.14205324 Ni 0.02789421 1.77382546 1.70866812 -0.44280509 -0.28518227 0.06956057 Ni 3.43983427 0.00513703 0.01853359 0.10694364 0.03739617 0.01463181 Ni 5.22309835 1.71577168 0.00650746 -0.12798584 0.21259015 -0.20365163 Ni 5.18269883 0.01389632 1.74545482 0.29231636 -0.49469028 -0.14780527 Ni 3.49680855 1.71462676 1.76528559 -0.34012464 0.39979409 -0.36846828 Ni 6.91509191 0.00195775 0.01782275 0.10040316 0.23063570 0.22053733 Ni 8.70470784 1.75957871 0.03023526 -0.36341570 0.02282447 0.21017946 Ni 8.66474004 0.01013434 1.73803606 -0.26449752 0.15394949 0.09795610 Ni 6.93469499 1.75656998 1.75677087 0.09637958 -0.11608625 -0.12607072 Ni 0.01648337 3.48669907 0.01199910 0.00967169 -0.04574845 -0.02816886 Ni 1.71887635 5.19742738 0.02853132 0.35256270 0.03933133 -0.33374713 Ni 1.73909629 3.46731131 1.73718347 0.14553761 -0.08128486 -0.08398586 Ni 0.00677437 5.20997664 1.75020038 -0.22477301 -0.00324713 0.23273189 Ni 3.45855806 3.45976149 0.00469450 -0.02177052 -0.14796211 -0.21932751 Ni 5.18748670 5.16915063 0.01960496 0.16639195 0.32126320 -0.22152155 Ni 5.18044453 3.47318823 1.76164610 0.22630312 -0.12666946 -0.12271613 Ni 3.44739651 5.20501082 1.74997083 0.19376540 0.12107724 -0.24419872 Ni 6.93184611 3.47826675 0.02845026 0.08753826 -0.20194076 -0.33953740 Ni 8.67045367 5.21330762 0.00373166 -0.01893965 -0.06111352 0.07326168 Ni 8.68605109 3.46874584 1.76583443 0.35520315 -0.03380399 -0.14810426 Ni 6.96474560 5.16881079 1.73279059 -0.16118950 0.40570310 0.13188326 Ni 0.06045918 6.88876086 0.03150692 -0.12803381 0.16941526 -0.01835090 Ni 1.76619814 8.64184797 0.02132476 -0.01061704 0.00199824 -0.11844286 Ni 1.74574989 6.96990623 1.73735640 -0.05193572 -0.29343458 0.24057403 Ni 0.01714057 8.69871335 1.70031878 0.12394886 -0.22827690 0.14660866 Ni 3.48790381 6.93070313 0.01165163 -0.12800331 -0.19452567 -0.25967439 Ni 5.18688424 8.64857428 0.01856989 0.13423943 0.04509131 -0.04607335 Ni 5.21021996 6.96354636 1.76168434 -0.08683403 -0.51672109 -0.32200640 Ni 3.45286928 8.68099685 1.71095375 0.08392886 0.28608707 0.36832032 Ni 6.95902064 6.94799944 0.02008770 -0.32902508 -0.19389428 -0.25934325 Ni 8.65944894 8.66620706 0.01739818 -0.33999524 -0.21952233 0.30396168 Ni 8.67066935 6.96789798 1.70487639 0.22470813 -0.22057062 0.39265593 Ni 6.90536929 8.66270720 1.75091441 0.19996438 0.45667141 -0.08699375 Ni 0.02214391 0.02910507 3.43516471 -0.15376487 -0.03745097 -0.09201693 Ni 1.71117335 1.73010539 3.45023091 0.49698667 0.15034065 0.07323477 Ni 1.71781860 0.00191099 5.16852661 0.21276327 -0.25354383 0.19801390 Ni 0.02257765 1.73419706 5.17988808 -0.33413597 0.06695364 0.28658194 Ni 3.47779922 0.02727968 3.44118489 -0.05658894 -0.53466359 0.42019912 Ni 5.20211862 1.70750350 3.44419367 0.05820323 0.57787556 0.43161993 Ni 5.22322978 0.02175031 5.23266756 -0.11350536 -0.36118887 -0.17629037 Ni 3.47379278 1.72200081 5.21678790 -0.07654975 0.31111399 -0.32739408 Ni 6.91279590 0.03360880 3.50251239 0.18416574 -0.51785100 -0.35095287 Ni 8.70238832 1.71658058 3.45844152 0.25303413 0.11952877 -0.02113411 Ni 8.65397555 0.03128529 5.21081994 0.06150337 -0.09088247 0.05684686 Ni 6.96358498 1.73714065 5.16788683 -0.37256418 0.10827391 0.27275348 Ni 0.03194475 3.43435815 3.44500704 -0.47884497 0.28659294 0.13362985 Ni 1.76815826 5.17132250 3.47238473 -0.49292633 0.55044093 0.01203782 Ni 1.76121109 3.48048032 5.17772294 -0.29760325 -0.24060974 0.24808593 Ni 0.00326698 5.21549495 5.21255100 -0.21618831 -0.15180594 -0.02201728 Ni 3.45570335 3.50214982 3.44607194 0.25638389 -0.50536318 0.34328284 Ni 5.23017269 5.18866555 3.47213400 -0.20117535 0.22068416 -0.03448425 Ni 5.23631173 3.49290821 5.21374552 -0.25080824 -0.30119678 -0.18862523 Ni 3.46730028 5.19768639 5.23390887 0.18226326 0.34191720 -0.23987180 Ni 6.97775229 3.48127475 3.48547606 -0.26418091 -0.19557535 -0.12387050 Ni 8.70147488 5.20323000 3.48910770 0.24007618 0.11484720 -0.24868949 Ni 8.66268889 3.44594083 5.22583139 0.38621111 0.27705298 -0.09109146 Ni 6.94428648 5.23620851 5.18011805 0.05958440 -0.30125226 0.31916515 Ni 0.00867571 6.98072455 3.47389083 -0.20641350 -0.29394015 -0.18291747 Ni 1.69945301 8.70445392 3.46723769 0.40514557 0.17443059 -0.06616347 Ni 1.70836159 6.95604864 5.22732640 0.35104519 -0.18780441 -0.20518492 Ni 0.02722438 8.67113502 5.20248306 -0.11919113 0.03103027 0.23030159 Ni 3.47110741 6.90635514 3.45025119 -0.11802745 0.21220109 0.28523292 Ni 5.18623121 8.64648186 3.47010722 0.10531811 0.49970066 0.06217184 Ni 5.23491625 6.94524841 5.23159148 -0.26684761 -0.09340866 -0.15895349 Ni 3.49349194 8.64561342 5.18406383 -0.23215342 0.33611538 0.22680374 Ni 6.91316479 6.94985915 3.44426699 0.34174290 -0.14495111 0.09069100 Ni 8.66302454 8.68530551 3.47057447 -0.11856808 -0.15752010 -0.07410482 Ni 8.64644316 6.90958494 5.17338718 0.50553087 0.24879545 0.11024216 Ni 6.96407391 8.65783342 5.23405321 -0.13304237 0.40972782 -0.27685828 Ni 0.03304134 0.00003189 6.94167379 0.12613807 0.22878697 -0.14823277 Ni 1.73357596 1.75680456 6.94870548 0.09168993 -0.31671386 -0.25889496 Ni 1.70594564 0.01591874 8.69961648 0.29884002 0.27078065 -0.29898711 Ni 0.00095076 1.76856415 8.63868013 0.04987335 -0.14020231 0.08639955 Ni 3.49095028 0.03447132 6.91574414 -0.50729513 -0.46063953 0.09002076 Ni 5.19592897 1.74775016 6.94237431 0.10317925 0.18787956 -0.23136725 Ni 5.17085360 0.02974649 8.61565705 0.16277686 -0.16483947 0.20472415 Ni 3.47688459 1.73536665 8.66474638 -0.13072270 0.07948757 0.27616187 Ni 6.91610869 0.00840145 6.92695515 0.23898938 -0.17525507 0.06984275 Ni 8.65491173 1.76562883 6.91088300 0.31539526 -0.35731276 0.21308716 Ni 8.69121368 0.03416465 8.67597291 -0.44815706 0.46008446 -0.51383944 Ni 6.91865384 1.72209956 8.64946419 0.15140148 -0.10630268 0.35708897 Ni 0.00260066 3.43707723 6.96899295 -0.20126664 0.21852079 -0.52593655 Ni 1.76381016 5.18671058 6.93824393 -0.36262532 0.20704641 -0.05754683 Ni 1.75794492 3.43823095 8.65561965 -0.11528214 0.11531468 0.47709359 Ni 0.01606843 5.19302936 8.61041327 0.10888471 -0.00842610 0.18793048 Ni 3.44729404 3.48311292 6.91820465 0.43153584 -0.29728290 0.13374878 Ni 5.21547689 5.22251033 6.94248179 -0.04248239 -0.18882186 -0.06864145 Ni 5.23575972 3.44613928 8.69726667 -0.24629144 0.17035783 0.14111971 Ni 3.44548500 5.17799278 8.63856590 0.23348657 0.17879529 0.47247114 Ni 6.92368581 3.43641947 6.93461828 0.04603817 0.43120331 -0.08345268 Ni 8.69082468 5.21732247 6.95583114 0.06499159 -0.07198277 -0.13788181 Ni 8.63733530 3.44741068 8.63502128 -0.03496486 0.06061983 0.10228913 Ni 6.90444039 5.22570157 8.66546423 0.39687797 -0.11582722 0.22280002 Ni 0.02067832 6.92645883 6.96454655 -0.22250069 0.20544541 -0.07791490 Ni 1.72650486 8.68573910 6.95535773 0.05039289 0.23928005 -0.14478337 Ni 1.74618941 6.96789298 8.70385782 -0.04811813 -0.18550998 0.10303102 Ni 0.01704028 8.69803560 8.68079060 0.37297081 -0.40830309 -0.38837516 Ni 3.45257347 6.95754284 6.95039895 0.13811098 -0.06178405 -0.06933328 Ni 5.24990171 8.69013814 6.96391231 -0.12789086 0.15626932 -0.06854328 Ni 5.23390383 6.91174801 8.65636350 -0.26994321 0.30023955 0.28206766 Ni 3.46465523 8.68989726 8.63948587 0.10716667 -0.07601629 0.03780382 Ni 6.96858939 6.94990388 6.90766222 -0.04466751 -0.14306076 0.46898810 Ni 8.67891920 8.63947023 6.95216765 -0.06700609 -0.13502040 -0.11446095 Ni 8.69606205 6.93122371 8.69022826 -0.28856876 -0.15258291 -0.19299436 Ni 6.96564321 8.64788423 8.70372578 -0.10352125 -0.23138303 -0.22979786