108 Lattice="10.419946403458507 0.0 0.0 0.0 10.419946403458507 0.0 0.0 0.0 10.419946403458507" Properties=species:S:1:pos:R:3:forces:R:3 energy=-409.35903135934046 stress="-0.010231136430374297 -0.0002659290913597697 -0.00036989745534128215 -0.0002659290913597697 -0.009876296739023101 0.0005429558338883492 -0.00036989745534128215 0.0005429558338883492 -0.010377153721545535" free_energy=-409.35903135934046 pbc="F F F" Ni 0.02838305 0.02125948 0.03284668 0.16395361 0.11514098 0.12229238 Ni 1.70397299 1.76314939 0.02038401 0.44651415 -0.18665100 -0.52010858 Ni 1.77014193 0.00081282 1.70477279 -0.25419927 -0.29907772 0.15797990 Ni 0.01215805 1.73866982 1.71070562 -0.47849781 -0.13321967 0.35422066 Ni 3.47293128 0.03669378 0.01280892 -0.06319118 -0.06909728 -0.11020568 Ni 5.18619358 1.71531165 0.02520084 0.31595442 0.36658436 -0.52780764 Ni 5.22683504 0.00841027 1.73194630 -0.24408509 -0.29921332 0.44754318 Ni 3.48263819 1.75986245 1.76352164 -0.05898000 -0.02898575 0.02989688 Ni 6.95173679 0.04087627 0.03421389 0.01446434 -0.12903916 -0.29130302 Ni 8.70696455 1.75578847 0.02336349 -0.17952995 0.06255977 0.07776672 Ni 8.66582515 0.00201488 1.72137977 0.08236192 0.10422745 0.14145618 Ni 6.92422598 1.73914599 1.73131389 0.33214509 0.28749014 0.27185098 Ni 0.02958267 3.49983555 0.01297270 -0.48454341 -0.13997610 -0.40430699 Ni 1.73982779 5.19175380 0.00401341 0.46727105 0.13695797 -0.44286882 Ni 1.70279184 3.49517888 1.71387662 0.90862868 -0.11646221 0.68626355 Ni 0.01083549 5.19728926 1.70917338 -0.42791880 0.35497521 0.63972296 Ni 3.48538940 3.43146847 0.02385685 -0.15300287 0.35898805 -0.27223689 Ni 5.18882325 5.18555725 0.03359707 -0.03391825 0.15791145 -0.40784068 Ni 5.22797731 3.45157304 1.75725426 -0.23165654 0.24435430 0.28806203 Ni 3.49982378 5.22750351 1.76711302 -0.32198208 -0.69934337 -0.25505226 Ni 6.95294326 3.50274993 0.03094923 -0.12627576 -0.51116600 -0.62675537 Ni 8.69434655 5.19867620 0.03285493 0.11035502 0.29313229 -0.17180691 Ni 8.70339635 3.48903781 1.72629546 0.31425412 -0.31099468 0.36724411 Ni 6.97127653 5.17663486 1.71869388 -0.51455825 0.56895493 0.75569584 Ni 0.02117232 6.92036240 0.03256851 -0.12895809 0.11163039 -0.11834275 Ni 1.73131823 8.64886285 0.03282216 -0.17324586 0.32878619 -0.30534204 Ni 1.75794681 6.93704993 1.71050439 -0.34020899 -0.26372777 0.63458432 Ni 0.02609526 8.68341173 1.76836697 -0.07905087 -0.07952244 -0.12923296 Ni 3.44125352 6.96157779 0.00817675 0.40245061 -0.35654831 -0.58529595 Ni 5.21578159 8.69114761 0.04566062 -0.17393280 0.07149225 -0.31597002 Ni 5.17552583 6.95974581 1.72032755 0.55338479 -0.32153137 0.41399749 Ni 3.44233481 8.67159320 1.71738203 0.29367425 0.54423075 0.36820003 Ni 6.91978558 6.92911695 0.00996963 0.34839190 0.12719915 -0.23083959 Ni 8.70783184 8.69695330 0.02190982 -0.57607909 -0.58390665 0.50267651 Ni 8.67098581 6.96459761 1.76671678 0.17263147 -0.14058978 -0.36278852 Ni 6.93407146 8.70291465 1.70699013 0.23894841 0.08673536 0.31270394 Ni 0.06006058 0.00220413 3.48182267 -0.09593214 0.09049493 -0.12164004 Ni 1.74570815 1.72860521 3.45258270 -0.14252140 0.27064740 0.26780033 Ni 1.71703053 0.00631157 5.24220437 0.19030693 -0.12013671 -0.04908659 Ni 0.01348365 1.76461858 5.24412825 -0.19653380 -0.12530110 -0.24789395 Ni 3.44426531 0.01853118 3.44824015 0.31357191 -0.27494657 0.35956539 Ni 5.23113063 1.76679969 3.53161967 -0.14814129 -0.21208778 -0.43271094 Ni 5.17784384 0.03434124 5.22036610 0.34963569 -0.34308147 -0.04676514 Ni 3.46797515 1.75978443 5.23228802 -0.13343228 -0.22122465 -0.36851357 Ni 6.97435757 0.01821721 3.46630492 -0.45052704 -0.33503702 0.14495223 Ni 8.66576090 1.73436278 3.47540039 0.52605308 0.15388747 -0.25005507 Ni 8.67434928 0.01885697 5.19946774 0.06555044 -0.15513790 0.09584161 Ni 6.97742471 1.76280715 5.22234501 -0.63835862 -0.22322601 0.01525076 Ni 0.00997643 3.45736328 3.44574883 -0.17893526 0.13145665 0.26245653 Ni 1.76365020 5.23585839 3.47215884 -0.36874156 -0.27271600 -0.08485408 Ni 1.76927940 3.48865819 5.20128523 -0.44945229 -0.19460815 -0.09277978 Ni 0.01776378 5.17967591 5.22085047 -0.23056222 0.30629438 -0.29330981 Ni 3.45836446 3.44414208 3.50675418 0.16937404 0.38567117 -0.49280042 Ni 5.18956640 5.18639653 3.50369709 0.22901347 0.02777398 -0.32517095 Ni 5.21100134 3.48315487 5.24335413 0.25912726 0.00924148 -0.47200535 Ni 3.45248571 5.18985431 5.21824117 0.37764431 0.53582463 -0.30055685 Ni 6.97139776 3.46689430 3.48321828 -0.36707065 0.24575164 -0.12162108 Ni 8.70048251 5.20391740 3.49573775 0.14319796 0.18094900 -0.14298818 Ni 8.67432093 3.47933808 5.20174227 0.47007232 0.16186785 0.26883819 Ni 6.91791783 5.22507130 5.20203028 0.45049621 -0.26276974 0.10201100 Ni 0.00016928 6.97449501 3.49439632 -0.11759139 -0.38705510 -0.06729874 Ni 1.74393684 8.67836782 3.45119931 0.04887935 0.24041862 0.22429984 Ni 1.76381903 6.96268423 5.20898263 -0.24966711 -0.24493521 -0.16139616 Ni 0.00425550 8.70344662 5.23790848 0.06088755 0.04209376 -0.31345816 Ni 3.47851957 6.92115802 3.44490080 0.08716404 0.34216741 0.55107841 Ni 5.19588172 8.68063103 3.48219241 0.14659709 0.27976252 -0.19016659 Ni 5.23483805 6.96744917 5.20506008 -0.68070714 -0.13681852 -0.03327849 Ni 3.45740507 8.68980571 5.19033242 0.20659788 0.23311421 0.18669518 Ni 6.91798164 6.92213896 3.48002199 0.09753425 0.12939022 -0.38672839 Ni 8.68035043 8.65475346 3.45949110 -0.15619277 0.10613399 0.09805748 Ni 8.68124091 6.96054772 5.22134116 0.25713284 -0.29184111 -0.04407397 Ni 6.97527445 8.66378317 5.24120113 -0.37596274 0.46057306 -0.39786486 Ni 0.00196063 0.01784900 6.99395808 0.25782961 0.29169091 -0.06937493 Ni 1.76892914 1.79794009 6.94084458 -0.29346147 -0.48678785 0.22701211 Ni 1.73123659 0.01014926 8.71764140 0.04297256 0.34151782 -0.32561223 Ni 0.00814868 1.78008854 8.69093306 0.17379827 -0.10364312 -0.17134103 Ni 3.45365106 0.01706728 6.94285097 0.03348136 -0.27559691 0.23161687 Ni 5.18247801 1.78509235 6.93138129 0.44418257 -0.49592504 0.17299854 Ni 5.20508266 0.03645709 8.68828873 0.00508488 0.03756234 -0.15599293 Ni 3.47241830 1.73974216 8.69007301 0.11996007 0.15380312 0.19504843 Ni 6.95430813 0.01612050 6.97091532 -0.43381852 -0.37581566 -0.35354955 Ni 8.65018810 1.71913378 6.93178507 0.76290827 0.27906370 0.18156051 Ni 8.65007974 0.01963383 8.66139027 -0.13466611 0.20243961 -0.13165930 Ni 6.95161934 1.74812507 8.66244738 -0.17947008 0.01915888 0.45205387 Ni 0.00270406 3.48920608 6.94205601 -0.21028052 -0.02911790 0.19098031 Ni 1.74673214 5.20179182 6.93224936 -0.14044338 0.11508464 0.15912833 Ni 1.76514988 3.45655858 8.69430175 -0.23518255 0.24466898 0.18650301 Ni 0.00373716 5.22027492 8.66852437 0.19936508 0.01051055 -0.14241472 Ni 3.50509305 3.50168848 6.91308167 -0.34665969 -0.08652371 0.51701711 Ni 5.20865828 5.23594161 6.90056485 -0.16438122 -0.21986613 0.35963718 Ni 5.24152652 3.49462181 8.65457653 -0.37677930 -0.08054119 0.34571596 Ni 3.44122504 5.18087246 8.67531170 0.46099454 0.19489675 0.19712570 Ni 6.96798710 3.48051335 6.94670118 -0.27771359 0.20905152 -0.30743968 Ni 8.68654628 5.23582750 6.97486792 0.19080832 -0.08316176 -0.36384854 Ni 8.64945412 3.49304113 8.67756908 0.17814451 -0.13263325 0.05441058 Ni 6.92280104 5.20227848 8.67125268 0.16975972 0.17981411 0.36437211 Ni 0.01166879 6.97618150 6.91489548 -0.22730154 -0.26535512 0.40773239 Ni 1.71168015 8.69120954 6.93910134 0.35829586 0.28325104 0.41091912 Ni 1.76427911 6.93127048 8.69378306 -0.25158836 0.32951875 0.05604805 Ni 0.02263962 8.69489085 8.70340595 0.50137803 -0.56426616 -0.51532962 Ni 3.46223022 6.94231375 6.92164861 0.21937691 0.18903554 0.28757403 Ni 5.22739700 8.68344035 6.97816096 -0.29535283 0.22193725 -0.24735458 Ni 5.21468897 6.91554020 8.67546648 -0.31778846 0.18545659 0.32280285 Ni 3.48918016 8.70546519 8.71243660 -0.09735781 -0.35551990 -0.35935389 Ni 6.91385095 6.92366694 6.94262686 0.37260286 0.18913740 0.09750832 Ni 8.63950606 8.68664295 6.94854474 0.16596367 -0.03963103 0.09553197 Ni 8.64945480 6.96924183 8.67829976 -0.06980453 -0.12724671 -0.00656406 Ni 6.95143974 8.69289486 8.68061713 -0.19493293 -0.14085783 0.00265497