108 Lattice="10.396154522168125 0.0 0.0 0.0 10.396154522168125 0.0 0.0 0.0 10.396154522168125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-399.2678439963816 stress="-0.006862270866134988 -0.0010952611322561324 -0.00023453153139451588 -0.0010952611322561324 -0.0063431930510932065 0.00020854157388796227 -0.00023453153139451588 0.00020854157388796227 -0.006913739720952628" free_energy=-399.2678439963816 pbc="F F F" Ni 0.01608760 0.01932753 0.01697174 0.68279635 0.76126672 0.70877265 Ni 1.73999398 1.74625143 0.00611061 0.09292837 -0.30669505 -0.56939404 Ni 1.75028507 0.02757228 1.70725268 -0.24340445 -0.55288227 0.08441519 Ni 0.00639532 1.76725719 1.74880514 -0.63798626 -0.66769041 -0.25022597 Ni 3.48344275 0.02129135 0.02245326 -0.04090714 0.19846176 0.21119556 Ni 5.19141280 1.73963323 0.02799250 0.21680927 -0.27458896 -0.74356928 Ni 5.23165643 0.03414369 1.75696342 0.01004312 -0.62561770 -0.18825579 Ni 3.48810463 1.74589420 1.76642636 -0.30449455 -0.21804191 -0.39696700 Ni 6.97500574 0.00045904 0.03406831 -0.19217211 0.46165905 0.41552097 Ni 8.66056425 1.70373567 0.03110180 -0.33827737 0.14232641 0.35175327 Ni 8.65388237 0.01930672 1.75921474 -0.30575604 0.39067542 0.00083248 Ni 6.92397485 1.78585264 1.74943231 0.34693699 -0.41526340 -0.12301214 Ni 0.03770837 3.43202944 0.02937427 -0.05884140 0.18312607 -0.07659701 Ni 1.73024351 5.22463989 0.00591993 -0.10735534 -0.06678257 -0.62189356 Ni 1.73539303 3.44301301 1.70352247 0.27461218 0.46565723 0.41456258 Ni 0.01066369 5.21899739 1.70858817 -0.36484609 -0.03449293 0.12589035 Ni 3.48696440 3.49589426 0.00663243 -0.39469546 -0.38525663 -0.69325209 Ni 5.19378597 5.16413207 0.03157299 0.30190585 0.32686604 -0.89915718 Ni 5.19388650 3.44525904 1.70469151 0.26302702 0.29249053 0.65849608 Ni 3.47975500 5.19772840 1.70642894 -0.32027646 0.04923259 0.69563481 Ni 6.93565717 3.46325072 0.01547935 0.20729789 -0.07477333 -0.64397715 Ni 8.66771814 5.16914083 0.01720711 -0.28004809 0.34181917 0.13820554 Ni 8.69079151 3.49535364 1.70680184 0.33676261 -0.25611585 0.20154486 Ni 6.91666369 5.21916145 1.73355759 0.24686420 -0.32973174 0.27709703 Ni 0.00168406 6.96985074 0.01388835 0.35871495 -0.10089374 0.25438900 Ni 1.70996644 8.68261236 0.01887016 0.12973996 -0.42579937 0.25974808 Ni 1.76527790 6.93302733 1.70832571 -0.34081407 0.13716753 0.34972878 Ni 0.00470431 8.64266449 1.71047886 0.36332420 -0.32972530 0.21336596 Ni 3.49434623 6.92401869 0.01997652 -0.22076703 0.17436955 -0.76877608 Ni 5.17767020 8.64608501 0.03153496 0.29532839 -0.02349324 0.11939818 Ni 5.23038574 6.91458205 1.71512246 -0.29967730 0.31017008 0.43344691 Ni 3.45434447 8.66503743 1.70635963 -0.07099027 0.47410244 0.24168296 Ni 6.91568449 6.92775274 0.00742243 0.41485259 0.19206639 -0.53910642 Ni 8.65645501 8.68657645 0.01211641 -0.72689199 -0.83442195 0.75057928 Ni 8.65796363 6.92650084 1.75107384 0.40013093 0.12283496 -0.15452764 Ni 6.97648226 8.67991824 1.73616585 -0.08642132 0.36573404 -0.21095674 Ni 0.00931029 0.01002283 3.49366665 0.23144808 0.17943255 -0.29064420 Ni 1.72383283 1.72174708 3.43991967 0.30204120 0.11845568 0.22009890 Ni 1.75811392 0.00766932 5.17724422 -0.31635106 -0.57619175 0.35319082 Ni 0.02643754 1.73448835 5.18362813 -0.58726263 -0.22272085 0.20710324 Ni 3.48131628 0.00147361 3.47998673 -0.08023782 -0.46752109 -0.24223277 Ni 5.19334729 1.76415141 3.46213461 0.13883196 -0.14453165 0.18042711 Ni 5.16371257 0.03125895 5.22960002 0.32368610 -0.68078306 -0.32786876 Ni 3.45398989 1.73103747 5.21941051 0.16390856 0.33890595 -0.42623158 Ni 6.95694747 0.02831679 3.47136811 -0.11911063 -0.59166787 0.05606581 Ni 8.64086593 1.76164182 3.49032049 0.81645615 -0.26425953 -0.25380174 Ni 8.67774905 0.01010268 5.22706112 -0.29049267 0.23480960 -0.06361672 Ni 6.90485998 1.72644623 5.17707100 0.13314905 0.14844679 0.52316184 Ni 0.02091145 3.44612498 3.43998174 -0.41791418 0.39787513 0.21198190 Ni 1.75299146 5.22022007 3.49441676 0.15371567 -0.43580788 -0.62791670 Ni 1.75639115 3.45164618 5.22325910 -0.06556224 0.12753580 -0.62302823 Ni 0.03147356 5.22526372 5.18631174 -0.86806384 -0.39863344 0.13093011 Ni 3.47256292 3.43499643 3.43299712 -0.35958677 0.33322014 0.24692422 Ni 5.17866928 5.18253624 3.44548001 0.29201253 0.26094596 -0.01952900 Ni 5.20576636 3.49532999 5.16486731 -0.23203480 -0.60199146 0.34498375 Ni 3.49903745 5.16691453 5.16667998 -0.33886408 0.44139167 0.40085924 Ni 6.95393421 3.44988963 3.49865712 -0.48217077 0.32231461 -0.61983543 Ni 8.64180741 5.17324487 3.49183553 0.50921046 0.39468772 -0.44025006 Ni 8.67692108 3.49145410 5.17416678 0.55792841 -0.35899879 0.61000169 Ni 6.92723545 5.16756480 5.20689538 -0.06444820 0.55855431 -0.13434081 Ni 0.00929127 6.91629506 3.47381888 -0.51861883 0.27407270 -0.42606322 Ni 1.70382912 8.68426217 3.48670966 0.16640648 0.31828934 -0.38452114 Ni 1.70767550 6.91707082 5.18913374 0.62997591 0.22032847 0.32038001 Ni 0.02846869 8.65548920 5.18749995 -0.04817524 -0.04198531 0.11061755 Ni 3.45710420 6.94970925 3.47819907 0.27715442 -0.15339382 -0.21178969 Ni 5.20701519 8.69007742 3.43039713 -0.14668385 0.31556185 0.06098472 Ni 5.22888958 6.94098128 5.24746771 -0.28272743 -0.14200800 -0.40535646 Ni 3.46385342 8.63749777 5.20927255 -0.05377466 0.56407582 0.05691291 Ni 6.89618912 6.95733900 3.47795485 0.32130223 -0.33290822 -0.03146814 Ni 8.67042044 8.69519583 3.45978317 -0.25146513 -0.42644149 0.00334074 Ni 8.69511343 6.90670505 5.18083362 0.22770637 0.36680506 0.11644135 Ni 6.93903391 8.67717528 5.16500756 0.18738617 0.44692165 0.38696439 Ni 0.00149293 0.00319625 6.97581307 0.65421537 0.66278087 -0.11461436 Ni 1.74957557 1.74844270 6.90204600 -0.40071774 -0.47560809 0.60872580 Ni 1.76500256 0.02884085 8.66645763 -0.18315858 0.44477107 -0.45091744 Ni 0.01103089 1.75924745 8.69265573 0.48203779 -0.24291808 -0.55609405 Ni 3.48164834 0.01026404 6.93757914 -0.41164834 -0.63382703 0.24419945 Ni 5.16093013 1.72301413 6.95136830 0.40903026 0.50600662 -0.20634968 Ni 5.18342018 0.03065672 8.65945957 0.14993672 0.15950599 -0.08444653 Ni 3.45260054 1.76534217 8.67260055 -0.20688642 -0.15799950 0.55888413 Ni 6.91065979 0.02302405 6.91122057 0.23396322 -0.43373570 0.30489602 Ni 8.68548907 1.71600661 6.91992284 0.17883107 0.25080521 0.14327498 Ni 8.63878123 0.03246972 8.64201860 -0.70080454 0.66223258 -0.68050928 Ni 6.92663291 1.76530922 8.65617004 0.26303876 -0.22337257 0.35254130 Ni 0.00878636 3.43778496 6.92239298 -0.67892421 0.13930289 0.17486576 Ni 1.70070247 5.17439578 6.90190952 0.42418371 0.37985020 0.29560648 Ni 1.68317053 3.48372124 8.66888669 0.09715571 -0.11059331 0.43646325 Ni 0.01178514 5.25678666 8.67872455 0.20503765 -0.08522731 -0.40861849 Ni 3.44593669 3.44579494 6.92498614 0.31649702 0.40066420 0.07600441 Ni 5.21502539 5.17970073 6.90722610 -0.26594369 0.17024856 0.40943307 Ni 5.19008692 3.45557525 8.69151019 0.13099652 0.24257670 0.27208528 Ni 3.43157249 5.17961440 8.67149909 0.20207490 0.11168946 0.22541606 Ni 6.90315182 3.45588767 6.90494742 0.34146550 -0.20115341 0.31693343 Ni 8.65947589 5.19054385 6.94686236 0.48561004 0.02643758 0.06512490 Ni 8.68712317 3.47207225 8.67801232 -0.49900723 -0.12246408 -0.48735823 Ni 6.94913295 5.23268728 8.66318341 -0.07288175 -0.19445062 0.35529545 Ni 0.02634546 6.97483204 6.92744101 -0.60777592 -0.16463476 0.27304729 Ni 1.70011452 8.68222882 6.94790460 0.28603149 0.40837741 0.01828855 Ni 1.74731876 6.93221829 8.68154275 -0.14981364 0.24571754 0.28307487 Ni 0.00774785 8.68985097 8.63448595 0.65423733 -0.73853329 -0.56034935 Ni 3.45422712 6.93109593 6.93986667 -0.17549137 -0.28588094 -0.21946269 Ni 5.18865641 8.69499173 6.96148286 0.27936213 0.43296589 -0.36737283 Ni 5.19783684 6.96285263 8.63023226 0.02703894 -0.37897765 0.48858527 Ni 3.49232681 8.67902864 8.63326864 -0.32024844 -0.17004375 -0.07204291 Ni 6.96469960 6.93654851 6.90441264 -0.01928358 0.19910086 0.17179918 Ni 8.67389021 8.68019072 6.94987360 -0.56251175 -0.53062209 -0.15703958 Ni 8.65386197 6.96370487 8.65783046 -0.33907454 -0.00130346 -0.40306925 Ni 6.90079238 8.65240733 8.65295619 0.25720054 -0.28223422 -0.34576832