256 Lattice="13.97879409790039 0.0 0.0 0.0 13.97879409790039 0.0 0.0 0.0 13.97879409790039" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1028.4465457668775 stress="-0.008990778346099694 -0.000571927497082928 -0.00024255475938440873 -0.000571927497082928 -0.008912430359045416 0.0005587389270723106 -0.00024255475938440873 0.0005587389270723106 -0.009017096752708531" free_energy=-1028.4465457668775 pbc="F F F" Ni 0.02291763 0.02000295 0.01841598 0.19538520 0.14834836 0.22099688 Ni 1.72603502 1.73987659 0.00329266 0.52134118 0.25241447 -0.27145027 Ni 1.71603301 0.00792045 1.77828277 0.68670433 -0.25326809 -0.12336860 Ni 0.01817199 1.73831533 1.74011873 -0.42934137 0.29949482 0.33243159 Ni 3.47016608 0.00998700 0.02158309 -0.18012202 -0.02593465 0.04510633 Ni 5.21877534 1.71349143 0.00168554 0.25114454 0.57681156 -0.32057950 Ni 5.22606157 0.00890360 1.72362301 0.11433899 -0.34464969 0.45606400 Ni 3.52819098 1.78266203 1.73615814 -0.44444697 -0.28044060 0.32091298 Ni 7.01863661 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0.00430009 -0.20770577 0.06485251 -0.18476883 Ni 5.20788960 8.74575863 0.02630030 0.44903526 -0.18209240 -0.50623290 Ni 5.25949536 7.03214490 1.77921404 -0.23764797 -0.42647152 -0.31431493 Ni 3.49851236 8.74568807 1.73430638 -0.36526033 -0.11553319 0.43849712 Ni 7.02375911 6.96563287 0.03392100 -0.53168510 0.39173702 -0.60950625 Ni 8.71425354 8.75560485 0.00092705 0.16153700 -0.16228284 -0.41564931 Ni 8.70958098 6.98079328 1.71602374 0.20463511 0.01207959 0.61312448 Ni 7.01178066 8.75622080 1.76135993 -0.23108398 -0.15868573 0.12377118 Ni 10.45554592 7.00864540 0.02138852 -0.11290416 -0.11656279 -0.48109873 Ni 12.24649433 8.73099351 0.02087786 -0.25113302 0.10062445 -0.00092916 Ni 12.21129984 7.01311438 1.71830663 0.31606424 -0.26939326 0.44814584 Ni 10.45243608 8.71014385 1.79784147 0.16751785 0.29103552 -0.49739318 Ni 0.03472683 10.49280114 0.02851854 -0.22320427 -0.27843971 -0.13059211 Ni 1.71561094 12.25907104 0.00314990 0.51190045 -0.17015365 0.10442605 Ni 1.72196529 10.50590466 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3.50816702 12.20498171 -0.20186168 -0.11898727 0.44707319 Ni 7.01423824 5.27670593 12.22037685 -0.07277622 -0.37075248 0.44467223 Ni 10.48577148 3.46259904 10.48735037 0.15897606 0.64679117 -0.10156673 Ni 12.24524130 5.27367654 10.50577862 0.23137312 -0.40951837 -0.49152197 Ni 12.21540752 3.50093049 12.25488777 -0.09085823 -0.07507495 -0.22746322 Ni 10.48722661 5.26403825 12.22454974 -0.20045726 -0.29089869 0.24345620 Ni 0.02719315 7.00549689 10.51160212 -0.56456801 -0.29830782 -0.30589759 Ni 1.73010076 8.74882851 10.45784855 0.44771833 0.01626519 0.22704247 Ni 1.72637521 6.99935613 12.23969090 0.44023119 -0.16009351 0.19979912 Ni 0.00244150 8.72561513 12.21121226 0.02383416 0.26801034 0.07478206 Ni 3.49657742 7.01257060 10.49442454 -0.11193164 -0.35263577 -0.19690110 Ni 5.26993575 8.75747518 10.46905469 -0.19835075 -0.18989666 0.16952278 Ni 5.21528527 6.96656390 12.25370934 0.29905119 0.33299924 0.15296923 Ni 3.49083978 8.72518900 12.20112144 -0.14549713 0.22521995 0.42387009 Ni 6.99175212 6.96077900 10.49950865 -0.10275902 0.52033173 -0.22761307 Ni 8.75800424 8.72547036 10.48930282 -0.50590416 0.14508672 -0.16442473 Ni 8.76105672 6.97823716 12.20780630 -0.16969926 0.13903998 0.43168126 Ni 6.95782904 8.72742167 12.25997382 0.37720688 0.04510441 0.09942756 Ni 10.50907520 6.96985814 10.51855726 -0.36255953 0.14962810 -0.67981981 Ni 12.19657481 8.74851596 10.45827700 0.68016104 0.00565685 0.14182836 Ni 12.22777164 6.99994260 12.20175402 0.07735040 0.16949759 0.21796539 Ni 10.46382116 8.75073391 12.22954750 0.14448500 -0.05264569 0.42384428 Ni 0.02625985 10.50512325 10.50258630 -0.44161726 -0.08441624 -0.34937449 Ni 1.77811309 12.24127569 10.48658037 -0.19784161 0.27697525 -0.19627622 Ni 1.71920379 10.51833947 12.20411947 0.39762590 -0.46834133 0.47635614 Ni 0.00245853 12.26025489 12.26376729 0.43298328 -0.38040591 -0.52285916 Ni 3.49360872 10.50139460 10.49533865 -0.10103309 -0.50098907 -0.37537522 Ni 5.22421887 12.20008161 10.50004309 0.18338350 0.56869328 -0.27236050 Ni 5.22127808 10.46990375 12.25132776 0.10384389 -0.24005311 0.29087353 Ni 3.51728207 12.19954398 12.22852729 -0.21311404 0.15929937 0.15570098 Ni 6.97662503 10.50788381 10.51861256 0.21726603 -0.48818527 -0.38312261 Ni 8.76535469 12.21233852 10.51094607 -0.17097392 0.54660919 -0.31768444 Ni 8.77168301 10.50939691 12.19774055 -0.34987942 -0.51437483 0.59234881 Ni 6.97799255 12.19937350 12.24438102 0.03191767 0.06931544 0.00697267 Ni 10.49762932 10.45717959 10.49354759 0.12075012 0.50515582 -0.20999596 Ni 12.26091529 12.25140867 10.51604930 -0.40951646 -0.37579237 -0.51178188 Ni 12.26348970 10.48715858 12.25544694 -0.29789920 -0.35823032 -0.30627768 Ni 10.49652225 12.21740471 12.23293239 -0.08272424 -0.06070354 -0.06182729