256 Lattice="14.541804226265231 0.0 0.0 0.0 14.541804226265231 0.0 0.0 0.0 14.541804226265231" Properties=species:S:1:pos:R:3:forces:R:3 energy=-707.3120322703608 stress="-0.004998583671128066 9.912520568662031e-05 -0.0012333095981225898 9.912520568662031e-05 -0.00541512838846394 0.0009488927705671821 -0.0012333095981225898 0.0009488927705671821 -0.005261114416025248" free_energy=-707.3120322703608 pbc="F F F" Ni 0.02489949 0.02967607 0.02462910 -0.48714813 -0.51343292 -0.52798802 Ni 1.83256343 1.80704157 0.02186224 0.49863540 1.13743488 -0.85986325 Ni 1.81882489 0.02368003 1.80575330 0.58978126 -0.90206326 1.16782124 Ni 0.03351213 1.83112254 1.78711869 -0.98195444 0.51799022 0.91579177 Ni 3.58257986 0.03001473 0.02859676 0.51441702 -0.60145563 -0.63356346 Ni 5.49053933 1.79860780 0.01353269 -0.37591287 0.93163361 -0.82961464 Ni 5.47073138 0.02200815 1.78715991 -0.26286908 -0.71397881 1.01426102 Ni 3.66020330 1.82275272 1.85281628 -0.17022463 0.79002508 0.52467822 Ni 7.22826931 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0.03168755 -0.20549638 0.01094143 -0.73027540 Ni 5.45069707 9.12531549 0.01754529 0.29500257 -0.45585547 -0.81451742 Ni 5.45933797 7.25783407 1.78413882 0.05639750 0.22072748 1.41387809 Ni 3.67551820 9.08810520 1.83608855 -0.51050411 -0.24830675 0.73880328 Ni 7.29279252 7.26096977 0.02904231 -0.21105256 0.18837179 -0.76774435 Ni 9.12056156 9.05256211 0.03630725 -0.46210958 0.50958825 -0.45939564 Ni 9.08816930 7.24451881 1.78837252 -0.21072656 0.29562019 1.16693393 Ni 7.22756953 9.09228268 1.84312649 0.30315630 -0.12315414 0.47645845 Ni 10.89577551 7.27638639 0.02424397 -0.17146287 -0.45759478 -0.64670368 Ni 12.70819019 9.06562160 0.00113544 0.39476868 0.19595445 -0.55205065 Ni 12.75674010 7.29863675 1.82133560 0.42939152 -0.53360305 0.52957922 Ni 10.91555339 9.05072198 1.85084373 -0.75702167 0.27157189 0.54889919 Ni 0.00972668 10.88241797 0.00984221 -0.59987579 -0.17393088 -0.56244995 Ni 1.83455589 12.69895101 0.01642249 0.29794288 0.58283188 -0.52529991 Ni 1.78587694 10.91641150 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0.02153543 5.44236544 0.17439772 -0.27614965 0.03160013 Ni 10.87056295 1.83355752 5.45646494 -0.09474580 0.55878218 -0.33702605 Ni 0.00395935 3.65594487 3.60009529 -0.53179159 -0.11576261 0.49651472 Ni 1.81050599 5.47078180 3.63286106 0.97299361 -0.34602436 0.26402499 Ni 1.84669134 3.60882952 5.47074375 0.54271088 0.57255240 -0.38738835 Ni 0.01542952 5.42839950 5.47445095 -0.43826186 0.08798234 -0.08942682 Ni 3.66297622 3.63623313 3.62051079 -0.31148896 0.29510385 0.11072187 Ni 5.42757785 5.47295886 3.64065431 0.63856756 -0.18200685 -0.05796081 Ni 5.44120460 3.61908120 5.45579745 -0.16424600 0.25576346 0.13104037 Ni 3.64031594 5.46804596 5.43832354 0.20696359 -0.34231239 0.36726185 Ni 7.24731936 3.60051350 3.66358986 0.24808539 0.48514538 -0.10013754 Ni 9.07188772 5.46588378 3.60017643 -0.28573806 -0.51968235 0.53057723 Ni 9.10068494 3.61022045 5.43473276 -0.22454462 0.49181004 -0.09540149 Ni 7.25376081 5.44176541 5.47325706 0.16806266 0.13164452 -0.53250100 Ni 10.92507559 3.66392421 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-1.06191578 Ni 9.06717289 3.61065747 12.74457003 0.23437393 0.25203469 0.49366249 Ni 7.28327155 5.50621405 12.73603291 -0.16177907 -0.36780212 0.32164300 Ni 10.91975802 3.60924428 10.88545616 -0.99844584 0.37225712 -0.74688832 Ni 12.70460017 5.48907686 10.88922612 0.75374016 -0.15032988 -0.34237296 Ni 12.70141732 3.64807848 12.70623440 0.66877827 -0.10266055 0.42452642 Ni 10.91202676 5.41847966 12.68794248 -0.71913980 0.39979273 0.68720268 Ni 0.01639025 7.25505862 10.92996352 -0.74830996 0.25747851 -0.85062267 Ni 1.79781880 9.09901471 10.87109503 0.76953719 -0.19976640 -0.29960111 Ni 1.80754225 7.25665719 12.72163953 0.65882923 0.28117489 0.70249560 Ni 0.02732262 9.11743307 12.68832599 -0.66560034 -0.23562378 0.55983085 Ni 3.60803498 7.30937430 10.91765835 0.24488991 -0.63575564 -1.00534732 Ni 5.45897075 9.08503912 10.90367149 0.00147670 0.35527703 -0.79278787 Ni 5.42436055 7.26459506 12.71757386 0.19217796 0.02518479 0.54796228 Ni 3.62677784 9.03659852 12.69654479 -0.04931157 0.46993422 0.71025766 Ni 7.25332019 7.29750401 10.89815256 0.22581986 -0.34359881 -0.68755126 Ni 9.11303771 9.12065537 10.91405723 -0.48275549 -0.42586122 -0.89780389 Ni 9.09111299 7.29576425 12.69615851 0.03820944 -0.08564849 0.50495556 Ni 7.25995936 9.10244558 12.72429275 -0.15226330 -0.22386708 0.48625154 Ni 10.89522512 7.29969471 10.89818138 -0.72296658 -0.22844853 -0.32194624 Ni 12.70974571 9.12073246 10.88618091 0.70885924 -0.24434323 -0.28606007 Ni 12.74729670 7.28639953 12.75873809 0.18674143 -0.02276719 0.14739535 Ni 10.90767686 9.09439249 12.74751128 -0.43671099 -0.07555809 0.61351212 Ni 0.01485841 10.93841746 10.89971501 -0.85152828 -0.62536139 -0.49427479 Ni 1.80181580 12.71997590 10.88711223 0.74548888 0.64438514 -0.46730617 Ni 1.80608212 10.88466216 12.74607775 0.65001249 -0.53045351 0.60509750 Ni 0.02142634 12.72624110 12.74223528 -0.25277362 0.28859314 0.28124699 Ni 3.62241564 10.88715350 10.92951325 0.21403131 -0.57923887 -1.09736970 Ni 5.48160372 12.74060985 10.87198062 -0.47887797 0.45971455 -0.16398540 Ni 5.42039616 10.92719981 12.75751368 0.08912397 -0.68374025 0.35275584 Ni 3.57314419 12.68973480 12.70334616 0.31072913 0.72521561 0.44479065 Ni 7.26600821 10.91093479 10.92267935 -0.25021690 -0.98071867 -1.06500816 Ni 9.04782817 12.72375412 10.89102736 0.29438535 0.54907153 -0.51092349 Ni 9.05430856 10.89207012 12.71726216 0.20329656 -0.34502549 0.76946519 Ni 7.26662771 12.72355449 12.71096876 -0.06099989 0.51660523 0.59538823 Ni 10.88817084 10.88515923 10.92433454 -0.41125374 -0.13540505 -1.02002201 Ni 12.73328793 12.75416483 10.87570315 0.22248226 0.29983112 -0.40278465 Ni 12.71910159 10.92038410 12.70205812 0.53517100 -0.30281629 0.54774130 Ni 10.87127016 12.73121038 12.71583358 -0.34965213 0.42416630 0.37017448