108 Lattice="10.421497662139792 0.0 0.0 0.0 10.421497662139792 0.0 0.0 0.0 10.421497662139792" Properties=species:S:1:pos:R:3:forces:R:3 energy=-535.8960999694319 stress="-0.009308110124083906 -0.00115852244889496 -0.0006759274961476024 -0.00115852244889496 -0.008832938185314726 0.001132177620334301 -0.0006759274961476024 0.001132177620334301 -0.009291742527087667" free_energy=-535.8960999694319 pbc="F F F" Ni 0.01928747 0.02285237 0.04472212 0.06586842 0.01200031 -0.10368545 Ni 1.76561090 1.76092059 0.01191113 -0.11600100 -0.35625877 -0.24356501 Ni 1.70881768 0.02307386 1.75508740 0.34053533 -0.29429720 -0.37569503 Ni 0.03342769 1.71490162 1.70473924 -0.31672398 0.22476510 0.19938138 Ni 3.51403269 0.00776952 0.01005624 -0.10175800 0.11618283 0.20204968 Ni 5.19118959 1.74726663 0.02988146 0.24090080 -0.19931965 -0.21609081 Ni 5.24114736 0.02633722 1.76745516 -0.27118790 -0.26243426 -0.54183759 Ni 3.49611318 1.70333758 1.70904092 -0.26902778 0.07092828 0.03027166 Ni 6.95982449 0.03727826 0.00147747 -0.20606392 0.03299435 0.10873722 Ni 8.65880987 1.70258180 0.03761635 0.07215507 0.29118711 -0.23805750 Ni 8.67268194 0.05681919 1.70280731 -0.02434546 -0.22012111 0.24536299 Ni 6.97169849 1.75752112 1.76053912 -0.35436237 -0.17435079 -0.38911761 Ni 0.00840746 3.45195639 0.00722601 0.11211993 0.15117965 0.06607496 Ni 1.71615422 5.23715155 0.01268997 0.01999548 -0.27865298 -0.16196167 Ni 1.69712217 3.47111760 1.70093326 0.14799795 0.12098042 0.10850529 Ni 0.02129466 5.22899269 1.70956240 -0.21218691 -0.17230535 0.03869170 Ni 3.48529770 3.49375504 0.02074191 -0.14010802 -0.05487147 -0.12621315 Ni 5.18089258 5.20634833 0.02164058 0.33775074 0.10876355 -0.08880133 Ni 5.20229264 3.49155233 1.72978024 -0.00260229 -0.24812788 -0.35672135 Ni 3.46862283 5.19432568 1.72924791 0.07029783 0.08589832 -0.25418484 Ni 6.95005851 3.46711007 0.00679822 0.09077960 0.09551987 -0.03382567 Ni 8.68602068 5.18168426 0.03008651 -0.19869795 0.15362317 0.15498645 Ni 8.65655698 3.45660700 1.73065499 0.30415307 0.31236817 -0.17317314 Ni 6.95452821 5.18782537 1.74935591 0.32998674 0.31010536 -0.64284341 Ni 0.01175870 6.92706843 0.00492586 0.00526217 0.23904543 0.07797587 Ni 1.69406467 8.67430510 0.05544652 0.19235550 -0.06881214 -0.06739613 Ni 1.75030394 6.92746214 1.75078266 -0.11271652 0.58445951 -0.18929247 Ni 0.02115105 8.71757633 1.71262603 0.04127029 -0.24312957 0.20003169 Ni 3.47905915 6.95460156 0.03711807 -0.03303065 0.22593607 -0.16168141 Ni 5.23454547 8.68945010 0.05495808 -0.07023142 -0.11267388 -0.21827502 Ni 5.21090840 6.95452288 1.73053626 -0.13255686 0.02648849 -0.29500793 Ni 3.51444250 8.71261641 1.70208784 -0.31163468 -0.09395639 0.12230059 Ni 6.97696060 6.96676106 0.02500939 -0.08907231 -0.27115521 -0.12082631 Ni 8.67824153 8.63742369 0.00510142 -0.03612672 0.03742179 0.10753032 Ni 8.69816002 6.97590566 1.75178851 0.00934580 -0.23206257 -0.17632210 Ni 6.91767497 8.66583411 1.72253784 0.46668053 0.25266446 0.13792302 Ni 0.04824555 0.02695134 3.45017563 -0.02920440 0.10939279 0.34592211 Ni 1.75537922 1.71917740 3.47023812 -0.37173259 0.17461563 0.17919491 Ni 1.76760725 0.02518686 5.23032136 -0.43669076 -0.07668244 -0.15502722 Ni 0.00859884 1.75470739 5.24416147 0.02911132 -0.24400558 -0.40587526 Ni 3.45296460 0.01125273 3.48653100 0.13089680 -0.15552693 -0.15631690 Ni 5.17652139 1.69875635 3.46868418 0.22886711 0.14436886 -0.08847794 Ni 5.19400139 0.03072857 5.17901646 0.08984785 -0.23684634 0.22976600 Ni 3.50581165 1.74220733 5.19641402 -0.44537651 -0.28088001 0.25992766 Ni 6.91552115 0.03307598 3.44718053 0.60498572 -0.18143278 0.34984521 Ni 8.67347528 1.76757199 3.43819014 0.13177482 -0.42623170 0.37429705 Ni 8.66530703 0.01677524 5.18735235 -0.20208829 0.23390457 -0.13863638 Ni 6.92799423 1.77160669 5.18796547 0.47024536 -0.49549106 -0.11301075 Ni 0.02449885 3.49935666 3.47973547 0.06241389 -0.15948419 -0.01915763 Ni 1.74069054 5.23277968 3.44552509 -0.37845513 -0.32068317 0.41119908 Ni 1.74952924 3.50435643 5.21956268 -0.36349123 -0.04823447 -0.19567101 Ni 0.01916373 5.23965228 5.20416644 0.03199534 -0.19662378 0.11276387 Ni 3.48131404 3.47282625 3.47097798 -0.18242529 0.08573573 -0.14416782 Ni 5.24492593 5.19263905 3.45680411 -0.56917145 0.17532745 0.15843427 Ni 5.18794207 3.44614039 5.18249609 0.08466891 0.44022174 0.25480123 Ni 3.50564756 5.24302378 5.18055049 -0.33174506 -0.49837215 0.11301834 Ni 6.93154405 3.50664167 3.44164268 0.49543106 -0.37522857 0.45346107 Ni 8.66632634 5.22038818 3.50592618 0.07975786 -0.08319795 -0.26223504 Ni 8.69242734 3.45762790 5.17276287 -0.12513587 0.10922661 0.20659572 Ni 6.93606098 5.21021754 5.19441426 0.45010127 -0.23816368 0.18660517 Ni 0.03291586 6.97411659 3.48353193 -0.12059726 0.10662895 -0.19711996 Ni 1.73997993 8.71736569 3.47694463 -0.06619816 -0.17442375 -0.11200920 Ni 1.72811086 6.96588926 5.22709247 -0.08145167 0.17025598 -0.33534601 Ni 0.00713450 8.64381295 5.20511072 0.13722770 -0.00135795 0.10291540 Ni 3.50075082 6.93409242 3.47642546 -0.14201893 0.64414464 -0.02833619 Ni 5.20375307 8.66403596 3.46897578 -0.09862345 0.11382035 0.17535304 Ni 5.20545816 6.91338385 5.23151656 0.15702740 0.97713846 -0.25092619 Ni 3.45687532 8.70690769 5.21359339 0.21653732 -0.14760398 -0.17522803 Ni 6.91721672 6.94172768 3.44324711 0.57047100 0.39498555 0.43787201 Ni 8.71465640 8.65840212 3.44579870 -0.35497893 -0.19723266 0.26756402 Ni 8.67069676 6.91627066 5.23711830 0.01112443 0.47434070 -0.31451409 Ni 6.94712184 8.70620444 5.18651001 0.08757396 -0.23192029 -0.04152142 Ni 0.01521405 0.00514815 6.93934878 0.04215713 0.07052916 -0.03336803 Ni 1.72504832 1.75484268 6.94423507 0.13412862 -0.11002238 0.17320506 Ni 1.70347575 0.02344803 8.64710793 0.15080309 0.04129249 -0.00489366 Ni 0.00294261 1.71443301 8.64927773 0.06616486 0.08088883 0.02650374 Ni 3.45921397 0.02864929 6.95316250 0.22598061 -0.12159607 0.19059720 Ni 5.21898729 1.71352006 6.93315030 -0.16387744 -0.01635882 0.34915785 Ni 5.22387230 0.03064045 8.68846253 0.01796645 0.13084236 -0.23247166 Ni 3.50398797 1.74498594 8.64289268 -0.14341910 -0.15524040 0.23518709 Ni 6.95940094 0.03044618 6.92802782 0.07025270 -0.10129872 0.15366073 Ni 8.71138369 1.70953792 6.92764427 -0.08021705 0.13681045 0.07489685 Ni 8.70017741 0.02244543 8.65631586 -0.20687157 0.16894921 -0.09674988 Ni 6.93985502 1.77002799 8.69576076 0.17877764 -0.28239056 0.00262667 Ni 0.01335448 3.44186548 6.96948772 -0.01314588 0.58491346 0.14484918 Ni 1.75776991 5.23283649 6.94897281 -0.47945617 -0.17365605 0.29827583 Ni 1.76610732 3.51616113 8.69025679 -0.46639287 -0.24284045 0.09388036 Ni 0.02632089 5.22798813 8.70350515 0.20870094 -0.09934303 -0.21953253 Ni 3.44529348 3.50997457 7.00160725 0.45796759 -0.17977278 -0.22696165 Ni 5.20128822 5.21435101 6.91453986 0.07569375 -0.13171742 0.75206564 Ni 5.21442290 3.51985768 8.65977613 -0.06646705 -0.19467225 0.11875474 Ni 3.47761855 5.21636533 8.71072583 0.09549504 0.26484024 -0.06475400 Ni 6.93728334 3.44026772 6.95840547 0.42807002 0.45653755 0.08934660 Ni 8.67690563 5.19130662 6.92435115 -0.03601314 -0.19934262 0.30684070 Ni 8.70304806 3.45956466 8.67458248 -0.28329253 0.10152952 -0.27302406 Ni 6.95040055 5.21675732 8.71919050 0.10433082 -0.21150827 -0.19575352 Ni 0.02957397 6.94299235 6.98976776 -0.19698543 0.24645612 -0.03418809 Ni 1.76256633 8.68150008 6.94314652 -0.34967572 0.21276029 0.19317902 Ni 1.74586088 6.99241268 8.67805708 -0.13597758 -0.10655739 0.21247547 Ni 0.00096016 8.70725775 8.70304581 0.20162813 -0.16570615 -0.20819180 Ni 3.45431037 6.95149993 6.94439578 0.41477888 0.28945812 0.35073273 Ni 5.17647488 8.70496374 6.93771771 0.25388154 -0.16971340 0.18617737 Ni 5.20301231 6.96209603 8.71263182 0.06958247 0.11774313 -0.22412056 Ni 3.47383636 8.67414876 8.67577145 0.12175700 -0.05825421 -0.09639709 Ni 6.97071126 6.94360299 6.97233594 -0.27264949 0.18120636 0.03428292 Ni 8.62941098 8.68188403 6.91456260 -0.00662443 -0.03041747 0.17419865 Ni 8.64110368 6.90305469 8.68857343 0.02870997 0.21148680 -0.08362441 Ni 6.94989033 8.71590249 8.69771989 -0.06545645 -0.30030326 -0.27807044