108 Lattice="10.338544614263633 0.0 0.0 0.0 10.338544614263633 0.0 0.0 0.0 10.338544614263633" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.4900183855209 stress="-0.009436618274172612 -0.0005942541249035429 -0.00032409577877637904 -0.0005942541249035429 -0.00986865108982307 -0.00043160983640330627 -0.00032409577877637904 -0.00043160983640330627 -0.008631669167065578" free_energy=-531.4900183855209 pbc="F F F" Ni 0.01903147 0.03199540 0.00302894 0.22210223 0.22118512 0.19868471 Ni 1.75874729 1.71161893 0.00123393 -0.29906946 0.51164340 -0.59274816 Ni 1.73536909 0.02885935 1.70389590 -0.09649891 -0.74589738 0.53476545 Ni 0.02565123 1.73666217 1.71039755 -0.43387044 0.12500176 0.43733225 Ni 3.42045500 0.04171347 0.00668774 0.34445979 -0.23896246 -0.01598578 Ni 5.15297231 1.69352482 0.00274342 0.11824358 0.49757769 -0.28639674 Ni 5.19178657 0.01121041 1.69195566 -0.33107074 -0.36380678 0.57157529 Ni 3.42163583 1.70897332 1.70139000 0.50525980 0.14128481 0.41057044 Ni 6.90077059 0.01540146 0.00861483 -0.33547719 -0.03149755 -0.05688541 Ni 8.58281008 1.71077066 0.02955046 0.16785130 0.31005179 -0.09485221 Ni 8.58380078 0.01430838 1.72459485 0.13944052 -0.20234152 0.25256350 Ni 6.92217752 1.69113839 1.72735518 -0.53400062 0.36911868 0.05361213 Ni 0.02901499 3.43467240 0.01751806 0.20920034 0.12463886 0.10339160 Ni 1.75556091 5.14740062 0.02517636 -0.26728739 0.07900809 -0.65432302 Ni 1.73819344 3.47741759 1.73119844 -0.30785077 -0.46821788 -0.07470447 Ni 0.01841895 5.16131530 1.71732566 -0.49274552 -0.02327868 0.27181389 Ni 3.42606446 3.41197616 0.01462796 0.50304585 0.37153299 -0.40481963 Ni 5.15795010 5.19469163 0.00834973 -0.07739551 -0.52442478 -0.49709519 Ni 5.19176209 3.47749514 1.73257502 -0.44846969 -0.53751481 -0.32166688 Ni 3.41825882 5.20302521 1.69494045 0.42899465 -0.40229706 0.18268593 Ni 6.90178503 3.42194756 0.03068045 -0.22305585 0.30944830 -0.49751592 Ni 8.62807079 5.20148365 0.01776626 -0.29509598 -0.44774767 0.19857928 Ni 8.62368909 3.43493146 1.72396341 0.25903787 0.23633067 0.21166951 Ni 6.87573616 5.14288490 1.73804101 0.53105362 0.23718068 -0.26079741 Ni 0.02115707 6.88305003 0.03663336 0.10851134 -0.39101507 -0.13280896 Ni 1.73513976 8.59235006 0.02653855 0.13344722 -0.05223652 -0.06059482 Ni 1.69469944 6.89614529 1.75337397 0.14222028 0.12086720 -0.42784849 Ni 0.00856234 8.57566610 1.70295648 -0.03781721 0.13180377 0.37551134 Ni 3.42588656 6.87225817 0.02198562 0.12515364 0.24137751 -0.60976341 Ni 5.19883520 8.58462418 0.00547896 -0.41414216 -0.19193433 0.07143271 Ni 5.14374667 6.86736192 1.70218273 0.19504850 0.65941241 0.14476762 Ni 3.42522635 8.62443266 1.70157713 0.38275535 0.27828227 0.29742682 Ni 6.88816985 6.86220892 0.01152112 -0.01056968 0.03708171 -0.45569297 Ni 8.61944737 8.64751307 0.01017312 -0.42946670 -0.41275103 0.35262882 Ni 8.61732637 6.89022995 1.69914562 0.21159886 -0.03478121 0.45678601 Ni 6.85579468 8.61658282 1.70118571 0.18482031 0.24717304 0.39103445 Ni 0.00319787 0.00093368 3.47985963 0.28526556 0.26917445 -0.16927659 Ni 1.72763931 1.69889313 3.46125145 -0.25084311 0.26165524 -0.46892104 Ni 1.75500580 0.03093748 5.14462214 -0.18326770 -0.74951719 0.38211718 Ni 0.03361828 1.72972790 5.15339895 -0.62645187 0.14892896 0.13665601 Ni 3.42920298 0.02591802 3.47423081 0.44619519 -0.52397007 -0.40326880 Ni 5.14810710 1.74437912 3.47234982 0.07399556 -0.42937122 -0.33710840 Ni 5.14039810 0.00692210 5.17277010 0.13147589 -0.35400652 -0.15642203 Ni 3.41577626 1.71416927 5.19923187 0.65982016 0.26038789 -0.18170319 Ni 6.90760197 0.00958187 3.45724048 -0.38285960 -0.44274874 0.19602706 Ni 8.60795956 1.70789971 3.41894991 0.47758631 0.22722048 0.41908536 Ni 8.63835373 0.01046890 5.18743361 -0.17231364 0.22371144 -0.23658595 Ni 6.90366789 1.69191904 5.19277813 0.02888067 0.06383376 -0.35283123 Ni 0.00928445 3.45694963 3.44389210 -0.22353088 0.11281458 0.06695550 Ni 1.75442246 5.21430598 3.42510324 -0.66799374 -0.46680780 0.17775080 Ni 1.73739660 3.42262855 5.14441246 -0.44963680 0.49390370 0.31286306 Ni 0.02415277 5.20321246 5.15022369 -0.36099804 -0.50886409 0.02082596 Ni 3.41911674 3.46954995 3.44164098 0.41929863 -0.29005907 -0.13210423 Ni 5.17881477 5.20229592 3.41725605 -0.24607022 -0.35541884 0.41782386 Ni 5.19671918 3.45906688 5.16434870 -0.31999450 -0.10769275 0.15992191 Ni 3.41539695 5.14314636 5.14349066 0.41050463 0.29860405 0.32429290 Ni 6.87617472 3.41317164 3.47828664 0.37051392 0.27220113 -0.38168614 Ni 8.59711771 5.16525849 3.44784817 0.33393673 -0.01416471 -0.08417688 Ni 8.58668418 3.45347424 5.13448148 0.63788647 -0.13426266 0.18028741 Ni 6.92519178 5.18943922 5.20522117 -0.07356807 -0.18874578 -0.36111035 Ni 0.00311553 6.90459189 3.46645558 -0.53454298 -0.07081632 -0.00421582 Ni 1.71201624 8.60334542 3.43381288 0.01965972 0.62812387 0.23543649 Ni 1.72959185 6.89066137 5.14129999 -0.30930066 0.21311116 0.37746140 Ni 0.00208340 8.64847162 5.20536519 0.35461273 -0.49556629 -0.15883670 Ni 3.43018635 6.92646689 3.43910264 0.38812146 0.15749893 -0.03930518 Ni 5.18534959 8.64976325 3.44949519 -0.38795977 0.07837022 -0.06410103 Ni 5.15901329 6.88460223 5.15795012 -0.12411550 0.31809218 0.18072379 Ni 3.41867522 8.60750971 5.17241474 0.51818281 0.38488112 -0.14676739 Ni 6.86668691 6.89139745 3.45570844 0.40356742 0.27110476 -0.39261812 Ni 8.62688843 8.61001639 3.42341256 -0.39203745 -0.24965653 -0.00110045 Ni 8.59674488 6.91027847 5.13538129 0.58071965 -0.17884744 0.17486030 Ni 6.89190898 8.60420292 5.14445033 -0.10074928 0.50297880 0.07286661 Ni 0.05298790 0.03006550 6.91368714 -0.07776450 0.09178704 -0.56002059 Ni 1.73582747 1.75251018 6.87021692 -0.08399623 -0.13398601 0.48421357 Ni 1.71551463 0.01390813 8.57583106 0.48516331 0.15601384 0.06371476 Ni 0.01974701 1.73769077 8.62033460 0.14294080 0.30653177 -0.15264911 Ni 3.47126141 0.02123558 6.89102014 -0.10683172 -0.50602500 0.06509016 Ni 5.18743419 1.69907784 6.92310756 -0.06686581 0.21050497 -0.23875947 Ni 5.20322305 0.05432293 8.63053897 -0.14933740 -0.19296681 -0.16024607 Ni 3.47546498 1.70666428 8.62965548 -0.21936510 0.31763425 0.24385525 Ni 6.90145910 0.01469230 6.85844527 -0.22519649 -0.76402423 0.16127303 Ni 8.59671466 1.72176318 6.91484972 0.74479832 0.16503299 -0.52445929 Ni 8.64483748 0.01202302 8.58562295 -0.28042984 0.13974326 -0.25453355 Ni 6.91957499 1.68935284 8.63291086 -0.10533418 0.46524812 0.39495403 Ni 0.00856483 3.46852040 6.91361939 -0.39054873 -0.09408921 -0.46682675 Ni 1.69919914 5.16571462 6.91710778 0.07354109 0.00375819 -0.23366798 Ni 1.73742542 3.44664531 8.60647855 0.13328952 -0.12440133 0.46540721 Ni 0.02147820 5.14864309 8.61690409 0.10477096 0.01279801 0.01101549 Ni 3.48736743 3.47951623 6.91832185 -0.23404441 -0.47302459 -0.10372545 Ni 5.19488414 5.16075299 6.89779307 -0.15287203 0.10629145 0.14909203 Ni 5.20570836 3.40801304 8.61916565 -0.22152241 0.26932732 0.34483825 Ni 3.42356745 5.15235142 8.58157946 0.35696100 0.11071806 0.74572223 Ni 6.91723961 3.42045361 6.87424448 -0.05093402 0.18969830 0.40640762 Ni 8.63998549 5.14443869 6.91416089 0.16522680 0.18770892 -0.34712583 Ni 8.64590983 3.42744079 8.56300259 -0.26974924 0.15725718 0.13555323 Ni 6.87815762 5.13666937 8.62354095 0.18187189 0.12944553 0.17127825 Ni 0.01223937 6.85946658 6.90835906 -0.43950580 0.11997939 -0.36097401 Ni 1.75181019 8.59163461 6.86067240 -0.05656024 0.47026641 0.26010896 Ni 1.69321224 6.92579677 8.64900295 0.62292669 -0.51938366 0.23167953 Ni 0.02479677 8.57028687 8.62303268 0.08115053 -0.00958952 -0.33795861 Ni 3.41915263 6.85794234 6.88917389 0.30159716 0.37899149 0.19262023 Ni 5.18465106 8.60727809 6.91154518 -0.28973535 0.23165004 -0.29614476 Ni 5.15477945 6.87995514 8.61880081 0.06245524 -0.17409478 0.21913350 Ni 3.47742806 8.60305412 8.63491241 -0.08973562 -0.27747546 -0.39219438 Ni 6.89385195 6.90235295 6.86639113 0.20894458 -0.02463419 0.48202512 Ni 8.60888221 8.63506522 6.88725217 -0.19707695 -0.26844186 -0.29412414 Ni 8.61877716 6.89421031 8.60069019 -0.20590443 -0.35245553 -0.21650243 Ni 6.91494718 8.58329467 8.61675115 -0.36467835 -0.11317106 -0.12421837