108 Lattice="10.46122056469128 0.0 0.0 0.0 10.46122056469128 0.0 0.0 0.0 10.46122056469128" Properties=species:S:1:pos:R:3:forces:R:3 energy=-417.82256074777547 stress="-0.011210658172162987 -0.0006429886594615671 -0.0010465588351838524 -0.0006429886594615671 -0.011341779451087745 -0.00023324092666680623 -0.0010465588351838524 -0.00023324092666680623 -0.010646387092165517" free_energy=-417.82256074777547 pbc="F F F" Ni 0.01208546 0.00201372 0.01321322 0.30727775 0.41618311 0.33794210 Ni 1.77701968 1.74056087 0.02809350 -0.19354241 0.17382481 -0.66035590 Ni 1.72785167 0.02610171 1.75026767 0.41047158 -0.58468948 0.17936111 Ni 0.01006904 1.77305481 1.75290990 -0.37414046 -0.13483131 -0.04790872 Ni 3.50841619 0.01526784 0.01550610 -0.03822214 -0.08129604 0.05369408 Ni 5.25344548 1.74931969 0.02118451 -0.33543046 0.37955788 -0.36470036 Ni 5.26273500 0.02794653 1.75198721 -0.27452033 -0.52994544 0.45983197 Ni 3.45324558 1.72579111 1.76903890 0.62954712 0.42814391 0.22813876 Ni 6.96225154 0.03092547 0.01858395 -0.23775605 -0.19651619 -0.11293801 Ni 8.70346079 1.70943134 0.02079647 -0.05991898 0.83191256 -0.04627936 Ni 8.71434467 0.01622401 1.71797353 -0.05543657 -0.12041846 0.56845744 Ni 6.95567163 1.75881751 1.77740085 0.37462342 0.14800982 -0.19224520 Ni 0.03186964 3.51166041 0.01646366 -0.25014715 -0.44236125 -0.38140767 Ni 1.75346581 5.21058312 0.02597460 0.30868693 0.44149045 -0.71352270 Ni 1.74110478 3.48839324 1.72280845 0.47203768 -0.20185681 0.75069877 Ni 0.01699713 5.20705553 1.71822341 -0.57670580 0.34812420 0.55538231 Ni 3.48408134 3.49915842 0.02853086 0.27621213 -0.21495047 -0.55216089 Ni 5.26400194 5.22647775 0.00800711 -0.54004896 0.10464539 -0.44664622 Ni 5.21112161 3.49335507 1.76911008 0.26846635 -0.22804091 -0.06869205 Ni 3.49206331 5.21548945 1.76935778 -0.18080943 0.38469953 -0.16058126 Ni 6.95350541 3.51247207 0.02285494 0.25111234 -0.37232621 -0.39497779 Ni 8.75021886 5.23671106 0.02401823 -0.22841704 0.22251846 -0.09479226 Ni 8.72026460 3.51961495 1.74119349 0.31138560 -0.37326833 0.17138631 Ni 6.96124456 5.26253802 1.71430548 0.12237560 -0.11365658 0.74301267 Ni 0.01487491 6.98505959 0.02529588 -0.27328316 -0.49044943 -0.27651378 Ni 1.74200332 8.68333235 0.01377548 0.35651764 0.23904949 -0.21808340 Ni 1.70959001 6.97747579 1.71296081 0.85768610 -0.37761533 0.73527080 Ni 0.01290295 8.69880709 1.76210576 -0.16592849 0.30147726 0.12473761 Ni 3.50883039 6.95100189 0.02703893 -0.19161475 -0.02852350 -0.53344111 Ni 5.25760637 8.73074761 0.02421950 -0.39170903 0.12778693 -0.15437371 Ni 5.21158526 7.00081235 1.73988920 0.24745653 -0.30745225 0.38356341 Ni 3.45805707 8.71450570 1.74725214 0.15325753 0.41285299 0.18496609 Ni 6.94015460 6.99298400 0.01686925 0.38231094 -0.18690190 -0.44657963 Ni 8.73841586 8.69358000 0.01414617 -0.44381158 -0.30932980 0.36225875 Ni 8.72195264 6.97925286 1.75643529 0.15046013 -0.08442490 0.22635080 Ni 6.94975851 8.73823870 1.74819161 0.21347938 0.21478718 0.42524253 Ni 0.01282859 0.00538602 3.45533899 -0.14939720 -0.03142546 0.18763769 Ni 1.74366008 1.72911467 3.53037058 0.36918666 0.52532180 -0.46099527 Ni 1.71249906 0.03085409 5.26218970 0.51169986 -0.84877167 -0.14684867 Ni 0.02766191 1.74890513 5.21600873 -0.73989203 0.35986831 0.18312333 Ni 3.50168854 0.01567805 3.51757686 -0.19213579 -0.52908504 -0.19434992 Ni 5.25232836 1.74571995 3.51676992 -0.33714244 0.16733757 -0.24090495 Ni 5.25104971 0.00017396 5.22147832 0.01898778 -0.46205894 0.28898363 Ni 3.48861553 1.72569982 5.27011120 -0.14143792 0.33818712 -0.42666651 Ni 7.02346218 0.03003710 3.51968188 -0.44614357 -0.67482622 -0.40632227 Ni 8.74355770 1.73460698 3.48644898 0.37162566 0.34926548 -0.11341261 Ni 8.71289756 0.01666826 5.26295433 0.21085031 -0.21029755 -0.06640644 Ni 6.97966039 1.73135645 5.23121057 -0.02800666 0.47602648 0.24354073 Ni 0.01903391 3.48248771 3.45253068 -0.43722839 0.09359129 0.51375122 Ni 1.74492903 5.20399347 3.49774074 0.13656133 0.38225079 -0.13745570 Ni 1.78309924 3.50115283 5.26058053 -0.32743475 -0.27889084 -0.18934926 Ni 0.01601755 5.21449875 5.25205228 -0.45149429 0.07225872 -0.20954027 Ni 3.51882129 3.52017445 3.51389703 -0.57714074 -0.86851378 -0.32495807 Ni 5.21782911 5.23926113 3.46981348 0.61319291 0.09487734 0.29970545 Ni 5.20402909 3.46925149 5.24783526 0.72246410 0.28177470 -0.16536363 Ni 3.51134972 5.20369360 5.22635720 -0.46209031 0.71276352 0.24226699 Ni 6.99406618 3.48948468 3.47048298 -0.37344579 0.16299004 0.37848879 Ni 8.70277173 5.22752544 3.49895658 0.43448309 0.15639908 -0.12631552 Ni 8.72263328 3.46285541 5.22672580 0.24748554 0.13201679 0.17114434 Ni 6.98264907 5.26211742 5.23632598 -0.38871469 -0.68063013 0.07124947 Ni 0.03177176 6.97184588 3.45695034 -0.62243189 -0.49726364 0.20930642 Ni 1.72758921 8.74774211 3.49616437 0.51976054 0.22526183 -0.22497152 Ni 1.72570802 6.99293225 5.20224945 0.48450774 -0.45113981 0.55528910 Ni 0.01682403 8.69935203 5.19734587 -0.28070110 0.04354516 0.37741905 Ni 3.49537003 6.97952611 3.48530694 -0.53544986 -0.35341284 -0.14093414 Ni 5.20188568 8.69847248 3.52103578 0.40923700 0.68899871 -0.53695977 Ni 5.22447005 6.97081903 5.22266769 0.22128869 -0.26752314 0.25953406 Ni 3.51067825 8.68645423 5.20933549 -0.61598697 0.59527686 0.61666078 Ni 6.97774960 6.99552198 3.51389049 -0.18633066 -0.17464168 -0.57472958 Ni 8.74098624 8.74482146 3.48658360 -0.14383994 -0.15174672 -0.13666611 Ni 8.69189258 6.98303819 5.22366416 0.57493029 -0.11387485 0.29388291 Ni 6.99145393 8.75193048 5.21046138 -0.25583717 0.18772643 0.25753383 Ni 0.00825750 0.03066998 7.00285294 -0.27082895 -0.18525196 -0.36804259 Ni 1.72323128 1.72500883 6.98501380 0.60373252 0.54306526 -0.15988817 Ni 1.76107833 0.03447730 8.70439171 0.25968626 -0.41589584 0.20556435 Ni 0.03462610 1.73707614 8.72882005 -0.19233758 0.43092576 0.22746281 Ni 3.51574505 0.01812589 6.98550967 -0.33637480 -0.55137320 -0.27378055 Ni 5.20975917 1.76668584 6.96231614 0.39018919 -0.22011234 0.31426569 Ni 5.20130708 0.04625947 8.70965329 0.27976352 -0.12676709 0.20005865 Ni 3.45467204 1.75393343 8.74944933 0.32148292 0.21092482 0.21803920 Ni 6.97931914 0.01348003 6.99281304 -0.36786460 -0.35741100 -0.17513270 Ni 8.74281660 1.71367965 6.97671625 0.19147076 0.56479316 0.02060151 Ni 8.69729331 0.02057221 8.74546924 -0.15837218 0.15831068 -0.26718112 Ni 6.98660451 1.73041325 8.73172717 -0.48585183 0.32795252 0.25227849 Ni 0.03295836 3.46410820 6.99349641 -0.54654232 0.14574144 -0.24091712 Ni 1.72363127 5.25017310 6.99566232 0.65518410 -0.20096528 -0.40524716 Ni 1.76605606 3.47830132 8.73217309 -0.12879333 0.09477790 0.36538770 Ni 0.02676821 5.23536556 8.70627623 -0.15400032 -0.16940148 0.35365802 Ni 3.48800132 3.49419806 6.99621853 -0.26781586 -0.10342635 -0.09211280 Ni 5.20102427 5.21508187 6.97745071 0.53751489 0.11501591 0.06828973 Ni 5.21242997 3.48852148 8.72459415 0.18225207 -0.18300174 0.48667553 Ni 3.46602687 5.22038249 8.75012761 0.11906400 0.31911341 0.33957055 Ni 6.95989152 3.45728097 6.98881883 0.11201286 0.29002575 -0.29611153 Ni 8.72168641 5.20331657 6.97623630 0.19148897 0.14010387 -0.14141863 Ni 8.68772985 3.46524528 8.73775738 0.14344641 -0.01573031 -0.09298673 Ni 6.97161380 5.20884437 8.73160995 -0.22465290 0.19488828 0.21536422 Ni 0.00020077 6.94513161 7.00739016 -0.50637223 0.41087749 -0.59738398 Ni 1.70963777 8.73190520 7.00122102 0.55900108 0.20325496 -0.57427218 Ni 1.73346947 7.00686747 8.68597224 0.47286348 -0.25941369 0.73319760 Ni 0.00690620 8.73568735 8.74797698 0.21974297 -0.37428690 -0.34081609 Ni 3.50748394 6.94293499 6.99117632 -0.40039080 0.41033202 -0.29995611 Ni 5.25726046 8.70825782 6.94685102 -0.25569481 0.46431345 -0.04781255 Ni 5.24027205 7.00215594 8.71740793 -0.12910302 -0.57655445 0.45209560 Ni 3.51847633 8.73601348 8.73033041 -0.18170684 -0.11367879 -0.26789529 Ni 6.94348779 6.95424992 6.99458776 0.37275171 0.12303257 -0.30917677 Ni 8.72869416 8.72410426 6.96742699 -0.32682624 -0.17483294 -0.19195697 Ni 8.70958381 6.98168703 8.69771849 -0.17747122 -0.27806054 -0.06239956 Ni 6.94115442 8.73525566 8.72594073 0.06345082 -0.08913050 -0.19848410