108 Lattice="10.3385477120682 0.0 0.0 0.0 10.3385477120682 0.0 0.0 0.0 10.3385477120682" Properties=species:S:1:pos:R:3:forces:R:3 energy=-531.5566381733091 stress="-0.00911125835629955 0.001579261642846895 0.001424938315050377 0.001579261642846895 -0.010789035871245701 -0.0015596982412814447 0.001424938315050377 -0.0015596982412814447 -0.009334299937361623" free_energy=-531.5566381733091 pbc="F F F" Ni 0.02324444 0.00306188 0.01963362 0.21947272 0.17430352 0.13866963 Ni 1.71344933 1.75039920 0.01572215 0.30838112 -0.22506566 -0.75898546 Ni 1.70995331 0.00380097 1.74009408 0.45844528 -0.59601362 -0.04486133 Ni 0.02889808 1.70605454 1.69470924 -0.72298189 0.33823177 0.67601597 Ni 3.48203898 0.05155438 0.04304615 -0.14915097 -0.12271513 -0.17256273 Ni 5.15328763 1.76974091 0.02318454 0.17718803 -0.06655998 -0.51587200 Ni 5.18499018 0.02153288 1.70931335 -0.14790814 -0.41951715 0.30657989 Ni 3.42605872 1.69329855 1.70196154 0.18207887 0.22647276 0.26552612 Ni 6.89090820 0.05335737 0.01344417 -0.30739534 -0.03120101 -0.01178335 Ni 8.62011580 1.70430695 0.03770072 0.03630661 0.39443830 -0.06313287 Ni 8.63804075 0.01565683 1.71787172 -0.21270838 0.02974849 0.42327248 Ni 6.92478984 1.69273906 1.73312169 -0.36113719 0.40553074 -0.08764784 Ni 0.01997143 3.44050347 0.04802809 -0.05482979 0.20852802 -0.16034231 Ni 1.74050163 5.14886902 0.00016874 -0.00667779 0.00258134 -0.40636999 Ni 1.72227275 3.41382563 1.70926644 -0.13509455 0.40008334 0.45971758 Ni 0.01457861 5.15833065 1.70380999 -0.27992860 0.05402594 0.41179466 Ni 3.41566042 3.43432603 0.02740130 0.35613240 0.37475396 -0.54475220 Ni 5.18855184 5.19076348 0.01913394 -0.29894518 -0.24599813 -0.41609340 Ni 5.14723736 3.46885304 1.69144072 0.33142006 -0.18553900 0.19022495 Ni 3.41692765 5.19856370 1.75155751 0.40915951 -0.45294822 -0.55564729 Ni 6.91617839 3.42470122 0.02289020 -0.17132842 0.25916485 -0.42008477 Ni 8.63348291 5.16649143 0.03316162 -0.23537252 -0.13807513 0.10153842 Ni 8.61263590 3.42908874 1.73355117 0.41396492 0.22213012 0.13748299 Ni 6.92174794 5.16881942 1.72089323 -0.12895093 -0.08556854 0.02256643 Ni 0.01026797 6.87620188 0.00651523 0.25429700 -0.22842706 0.07011993 Ni 1.75324785 8.61959438 0.02866610 0.14805431 -0.06584899 0.06684558 Ni 1.75338709 6.88298915 1.68977987 -0.62185445 0.31170410 0.21931791 Ni 0.01206260 8.58835684 1.69060776 0.20649694 -0.15962608 0.48444613 Ni 3.43000991 6.91473136 0.01262332 0.18594066 -0.43600932 -0.58884773 Ni 5.14035177 8.57147592 0.02099342 0.15489387 0.17461342 -0.03177899 Ni 5.14668717 6.92171607 1.68925381 0.33016316 -0.40155016 0.45019560 Ni 3.47598532 8.61956954 1.74652610 -0.04268317 0.49512684 0.12210620 Ni 6.90070568 6.90499675 0.00716850 -0.17020588 -0.25883205 -0.46066667 Ni 8.58631917 8.64164899 0.01258896 -0.27771797 -0.23997129 0.30797905 Ni 8.59647214 6.90577984 1.70998492 0.74855063 -0.38603504 0.25352128 Ni 6.89032776 8.58193517 1.77355502 -0.27787713 0.78248449 -0.25164668 Ni 0.04690487 0.01762291 3.43532663 -0.06008076 0.03008558 0.27363989 Ni 1.73610511 1.69347268 3.45853164 -0.30921268 0.34988605 -0.10091762 Ni 1.75735152 0.01757874 5.18764051 -0.19146155 -0.62324666 -0.18146770 Ni 0.00237435 1.71642231 5.16984202 -0.28712495 0.00054789 -0.16490197 Ni 3.44761041 0.02984703 3.44590465 0.24422417 -0.70464621 0.03605251 Ni 5.15218541 1.72575324 3.45299105 0.20577715 -0.16944774 -0.10322964 Ni 5.17503867 0.01234062 5.19102510 -0.14546210 -0.36138596 -0.14935765 Ni 3.43624071 1.69659558 5.17448855 0.21255768 0.20100444 0.12442799 Ni 6.87193240 0.03220621 3.43369252 0.11576957 -0.61885461 0.25744478 Ni 8.60526193 1.74710677 3.43944366 0.60102429 -0.11477202 0.29887127 Ni 8.59541427 0.01375601 5.19025655 -0.18045606 0.16870041 -0.18112816 Ni 6.92509746 1.70958760 5.16551255 -0.22386310 -0.11439229 0.25481767 Ni 0.00688124 3.45798941 3.46978979 -0.17588018 -0.09007406 -0.17231121 Ni 1.72792125 5.20220151 3.44634087 -0.38162498 -0.59190461 -0.05475860 Ni 1.73084699 3.43985334 5.18180742 -0.03571451 -0.15029677 -0.23893530 Ni 0.02781187 5.14231284 5.19649589 -0.51241107 0.15152086 -0.25720754 Ni 3.46512653 3.41824454 3.42769441 -0.32734542 0.15593875 0.13406300 Ni 5.17031524 5.13866141 3.45116012 0.12790760 0.30862393 -0.26916633 Ni 5.17433467 3.45361151 5.19728963 -0.16037013 -0.44188480 -0.17307015 Ni 3.46093642 5.13952243 5.15067580 -0.19587871 0.22463098 0.24955427 Ni 6.88788511 3.41352053 3.48043882 0.15696010 0.31465232 -0.44786592 Ni 8.64219325 5.12643844 3.46830285 0.12452977 0.22205447 -0.08129575 Ni 8.60641595 3.47408592 5.19972053 0.55544913 -0.31502829 -0.22209414 Ni 6.88583534 5.13588205 5.17813397 0.37498556 0.52329083 -0.17042245 Ni 0.01941674 6.90248815 3.46383207 -0.42739775 -0.30177762 -0.28742456 Ni 1.75623797 8.60510644 3.43423503 -0.08676641 0.44251851 0.02346314 Ni 1.71989035 6.88635697 5.14647453 -0.09758564 0.24342838 0.34779188 Ni 0.00517627 8.62805380 5.10131771 0.28930053 -0.24652782 0.21850748 Ni 3.42257618 6.88725774 3.42956844 0.46805402 0.27042517 0.23178444 Ni 5.19975783 8.58397663 3.47790712 -0.26815213 0.50359107 -0.03227652 Ni 5.17452279 6.87814443 5.13738575 0.12798749 0.20686731 0.25916839 Ni 3.47899528 8.58901654 5.17847628 -0.23569190 0.50532416 -0.20664872 Ni 6.91290863 6.88542976 3.42706163 0.14716762 -0.21052717 0.43716856 Ni 8.63209814 8.58953770 3.42666827 -0.13477853 -0.19944166 0.32619539 Ni 8.64299021 6.86164304 5.19779442 0.07629439 0.11589694 -0.43642279 Ni 6.93200214 8.62315107 5.17301808 -0.07212586 0.11360872 -0.20511876 Ni 0.04968266 0.01436659 6.92395847 -0.03388686 -0.11041474 -0.42793674 Ni 1.70072132 1.69697598 6.90772287 0.27522082 0.26206408 -0.19110222 Ni 1.75176467 0.03028465 8.64179477 0.20611522 -0.18424298 0.01924764 Ni 0.06014333 1.70512565 8.59856353 -0.24826367 0.41212182 0.18434866 Ni 3.42355734 0.03156177 6.92438319 0.26226269 -0.80077314 -0.37778178 Ni 5.14266790 1.70709854 6.92491311 0.41327070 -0.06584763 -0.08785463 Ni 5.10456421 0.00956262 8.64729459 0.20539432 0.17361215 -0.23752555 Ni 3.42470565 1.70701561 8.59554221 0.25602118 0.44518977 0.81308855 Ni 6.88085337 0.01229919 6.91860607 -0.21905558 -0.46089411 -0.15336493 Ni 8.62507860 1.72613055 6.92488849 0.41149373 0.10582124 -0.37227589 Ni 8.59344314 0.01807909 8.63166997 -0.15243661 0.16112094 -0.21936294 Ni 6.89944285 1.71456946 8.62144193 -0.44186193 0.17625589 0.48123867 Ni 0.02670401 3.39987890 6.86511301 -0.52788613 0.28152051 0.19085687 Ni 1.71615121 5.14889197 6.88754703 0.22397799 0.14546702 0.39008832 Ni 1.73674158 3.41217418 8.63605885 0.16512746 0.38106933 0.22278423 Ni 0.02983562 5.11888804 8.59160598 0.21396728 0.06284566 -0.21212727 Ni 3.45384647 3.41503802 6.92015837 -0.07993773 0.37531116 0.01426155 Ni 5.19980671 5.19072480 6.86399717 -0.43418337 -0.20013472 0.50690198 Ni 5.18441194 3.44494960 8.62056360 -0.11958585 0.10161012 0.26106789 Ni 3.48104617 5.17257667 8.61422124 -0.06327261 -0.16534355 0.14908819 Ni 6.88896241 3.41300822 6.87147068 0.19138227 0.26183861 0.58974841 Ni 8.62389073 5.18611676 6.85941080 0.14461911 -0.22745766 0.50633887 Ni 8.58992213 3.42858696 8.61837562 -0.24745066 0.36227362 -0.27467391 Ni 6.87123441 5.19004103 8.60095420 0.28338385 -0.31236596 0.26068319 Ni 0.02842125 6.89781877 6.90053802 -0.49807853 -0.25996596 -0.20786072 Ni 1.68872261 8.60105715 6.90110238 0.29214139 0.54828873 -0.43330353 Ni 1.76810316 6.89621540 8.64537181 -0.14138970 -0.37969679 0.22282660 Ni 0.00800543 8.60506994 8.62709884 0.28058365 -0.29283305 -0.17402085 Ni 3.41719197 6.91458476 6.87288416 0.36158316 -0.19517482 0.31131079 Ni 5.19586282 8.61329314 6.86134606 -0.19997612 0.34624191 0.18231468 Ni 5.18474574 6.88046530 8.59525004 -0.39855259 0.33789907 0.37203524 Ni 3.41524657 8.63772320 8.58741589 0.39431251 -0.27910360 -0.28664919 Ni 6.88461722 6.92521329 6.91131722 0.39468490 -0.10379918 -0.14871372 Ni 8.63810078 8.58709950 6.91401405 -0.16012236 -0.05326439 -0.30443135 Ni 8.63614407 6.91427699 8.61675372 -0.30823542 -0.42721311 -0.18952874 Ni 6.92132383 8.64261578 8.64165739 -0.33816897 -0.32883511 -0.33349074