500 Lattice="17.464445771407835 0.0 0.0 0.0 17.464445771407835 0.0 0.0 0.0 17.464445771407835" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1999.5960772966757 stress="-0.005734628419648923 -0.0003096895938463917 5.0813590204798096e-05 -0.0003096895938463917 -0.005803245704801561 0.00015620598625776973 5.0813590204798096e-05 0.00015620598625776973 -0.0056987392257901795" free_energy=-1999.5960772966757 pbc="F F F" Ni 0.02713625 0.02146245 0.02367046 0.65036387 0.66763580 0.68476886 Ni 1.71450295 1.73909996 0.01367744 0.23299778 0.11395591 -0.24816662 Ni 1.77091640 0.00336525 1.71263689 -0.18915881 -0.25172059 0.19501684 Ni 0.00914978 1.74330261 1.75360959 -0.33092551 -0.22382668 -0.10148548 Ni 3.45957653 0.02053212 0.00617941 0.17762520 0.41309668 0.39885205 Ni 5.22147787 1.75850163 0.01713656 0.07614015 -0.28198247 -0.39596078 Ni 5.27318840 0.02624068 1.77502413 -0.06680046 -0.58566163 -0.50187538 Ni 3.52092653 1.77250491 1.74873509 -0.41454937 -0.02111916 -0.07367926 Ni 7.03848254 0.01161084 0.00858772 -0.20029461 0.38838584 0.39464693 Ni 8.71446333 1.76697169 0.02790470 0.18068357 -0.35227957 -0.45922860 Ni 8.74328762 0.00850552 1.77430934 -0.23262750 -0.38764863 -0.36730178 Ni 6.96482023 1.74229834 1.73526374 0.20623495 0.06177035 0.31797318 Ni 10.47707482 0.03481781 0.01912190 -0.15664428 0.26976437 0.29671399 Ni 12.21264546 1.72116218 0.01056963 0.13594155 0.30943177 -0.19672001 Ni 12.21287063 0.00419196 1.73350862 0.12525646 -0.34974410 -0.03650271 Ni 10.45129098 1.74656041 1.77711854 0.41028142 0.34929394 -0.35747123 Ni 13.98847452 0.01505306 0.02412918 0.05353807 0.54784656 0.51403473 Ni 15.73528244 1.77309374 0.02903546 -0.57778235 -0.08092452 0.48277591 Ni 15.74857217 0.01552301 1.71159187 -0.62622223 0.57132576 -0.01741184 Ni 13.95031755 1.76464560 1.72347595 0.35860455 -0.10205971 0.10989808 Ni 0.01106763 3.45954688 0.02133605 0.39348654 0.15577930 0.34308863 Ni 1.78093244 5.26573221 0.01798548 -0.38605024 -0.24378145 -0.37665160 Ni 1.72369537 3.50935917 1.77330024 0.33709093 -0.21271315 -0.28161743 Ni 0.02283529 5.25682784 1.72254907 -0.34146728 -0.13178962 0.11593929 Ni 3.49699114 3.51000587 0.00602383 -0.25553139 -0.25462581 -0.18688245 Ni 5.20927524 5.22606414 0.02321602 0.24658641 0.15111399 -0.37218331 Ni 5.27106899 3.50516205 1.76276338 -0.23377071 -0.06650120 0.26190449 Ni 3.50644307 5.25234551 1.74552621 -0.31009393 -0.22358688 0.30248168 Ni 6.98581031 3.45890503 0.00696929 -0.15140488 0.25708786 -0.45015816 Ni 8.71065390 5.23969760 0.02439270 0.09586314 -0.10221584 -0.56937649 Ni 8.70997283 3.47303364 1.73932643 0.18793369 0.38020203 0.37185480 Ni 7.00839333 5.24663867 1.72773296 -0.38951669 -0.08869239 0.33956211 Ni 10.45747404 3.47633282 0.01326254 0.20744660 -0.02698447 -0.20696171 Ni 12.19257451 5.23823389 0.02469559 0.36652794 -0.00155507 -0.35910626 Ni 12.24286195 3.51830917 1.79354261 -0.25738959 -0.36696710 -0.40686253 Ni 10.48210945 5.26290012 1.71152938 -0.23834946 -0.30929500 0.79459561 Ni 14.00005385 3.52103527 0.01779526 -0.30878240 -0.17983548 -0.39013339 Ni 15.73685000 5.21254246 0.00524671 -0.41726477 0.25714918 0.34766782 Ni 15.69519435 3.52442643 1.72837638 0.50204743 -0.29461901 0.27972898 Ni 13.98115439 5.25091538 1.76819853 -0.19113891 0.24738447 -0.20859058 Ni 0.01209825 7.01705856 0.00121272 0.23214050 -0.19556087 0.15402217 Ni 1.77286875 8.69754901 0.03121890 -0.26564413 0.60971457 -0.72643204 Ni 1.71361581 7.02045392 1.71933308 0.42084649 -0.44517099 0.66634258 Ni 0.01523830 8.71662891 1.71392589 -0.42494731 0.39812856 0.25646133 Ni 3.46439522 7.00162203 0.02674627 0.40139932 -0.12103635 -0.58294754 Ni 5.26093845 8.76243153 0.01867528 -0.09642425 -0.25305824 -0.43951128 Ni 5.20284895 7.01133238 1.76231431 0.45676000 -0.16450925 -0.03891813 Ni 3.51242139 8.72969970 1.71547040 -0.21339721 0.27533161 0.78895521 Ni 6.95779420 6.97752265 0.01489542 0.00832262 0.13336427 -0.26027955 Ni 8.70299286 8.74236022 0.02612897 0.12697779 -0.15649998 -0.37796631 Ni 8.72859885 6.96836379 1.74702171 0.15503957 0.26360628 0.17564470 Ni 6.99964832 8.75384664 1.77070889 -0.34521162 -0.36773438 -0.06461133 Ni 10.45099836 6.98747789 0.01333418 0.06109668 0.23164474 -0.52113431 Ni 12.27628076 8.72619469 0.03478083 -0.26926076 0.20173220 -0.64863666 Ni 12.18396720 7.02924238 1.73130281 0.42759305 -0.35174284 0.54198296 Ni 10.48528510 8.76465383 1.72975406 -0.24857808 -0.30197609 0.24124915 Ni 13.97576216 6.99600119 0.03012134 0.10515355 -0.34854448 -0.43735927 Ni 15.72908835 8.70353189 0.01335492 -0.40458504 0.19790918 0.34781152 Ni 15.70582125 6.98696522 1.73659200 0.47931730 -0.08045565 0.07269593 Ni 13.99433790 8.72522060 1.74072914 -0.14636242 0.13305173 0.26900037 Ni 0.00475419 10.50451961 0.00264372 0.31405630 -0.29878520 0.25833683 Ni 1.72855001 12.19028992 0.01859951 0.24106017 0.42478584 -0.40564234 Ni 1.74099299 10.47966820 1.72658002 0.24878768 -0.24460449 0.41954514 Ni 0.01147359 12.20715591 1.71614954 -0.44052666 0.12809865 0.22925622 Ni 3.51565269 10.50617140 0.01259813 -0.26182638 -0.11260473 -0.40794152 Ni 5.21006665 12.25958443 0.03266027 0.30894935 -0.10098758 -0.51705463 Ni 5.22507815 10.49671556 1.73009797 0.20293279 -0.13378421 0.51491607 Ni 3.50161470 12.24266418 1.77717101 -0.15086147 -0.09974414 -0.23569311 Ni 6.98954434 10.45731743 0.02554430 -0.06131629 0.47773738 -0.35320593 Ni 8.73788688 12.21645270 0.01658721 -0.14686585 0.17304168 -0.20230890 Ni 8.70267176 10.47038300 1.78073978 0.22652175 0.24006342 -0.20689375 Ni 6.96042540 12.25982947 1.77374061 0.23796681 -0.36407446 -0.11600893 Ni 10.46132778 10.47376910 0.01162589 0.07849507 0.03695369 -0.26108809 Ni 12.20215794 12.22320366 0.01206750 0.09683868 0.13630530 -0.24800208 Ni 12.23568720 10.46849193 1.73907651 -0.15609101 0.10097004 0.22552855 Ni 10.45299830 12.23435891 1.77823777 0.29179150 0.02597327 -0.09779385 Ni 13.99482817 10.50870468 0.02135151 0.15318873 -0.22970481 -0.38879996 Ni 15.72411891 12.23272086 0.00664243 -0.36206658 -0.00169603 0.45022081 Ni 15.73621035 10.46246761 1.77531355 0.21489380 0.16774103 -0.28047614 Ni 13.94935132 12.21163249 1.72073349 0.29797892 0.25947681 0.25264334 Ni 0.01991056 13.95229531 0.00386131 0.47665698 0.07760316 0.51652404 Ni 1.71486904 15.70044008 0.00881524 0.11189767 -0.53869250 0.48235384 Ni 1.72643213 13.96497282 1.76715012 0.15025091 0.19588119 -0.34837117 Ni 0.02780485 15.73162489 1.71443438 0.46812283 -0.63560712 0.13600942 Ni 3.49144630 13.98082895 0.02485085 -0.26537562 0.10707754 -0.29318806 Ni 5.26602544 15.71977366 0.00991129 -0.23909472 -0.28338471 0.23645974 Ni 5.25375015 13.97772436 1.74119478 -0.23499668 0.13323185 0.19252721 Ni 3.49197093 15.73494299 1.71711781 -0.08346251 0.12000476 0.13808711 Ni 6.96350808 14.00395527 0.00876787 0.24754316 -0.19743197 -0.38926674 Ni 8.74943487 15.69714808 0.03303376 -0.12253519 -0.29365599 0.17523371 Ni 8.70452124 13.96051879 1.75678115 0.30504730 0.07878434 -0.00906578 Ni 6.96399573 15.73667501 1.72113617 0.12712100 0.34701795 0.16324604 Ni 10.50338059 13.98181179 0.00580334 -0.21225611 -0.09202468 -0.14475245 Ni 12.21081063 15.69513366 0.00563115 0.19016358 -0.27736378 0.33440013 Ni 12.24527686 13.99384340 1.76338333 -0.13966230 -0.06848983 -0.18046736 Ni 10.46029708 15.73947137 1.71293549 0.13459138 0.07780501 0.29557763 Ni 13.99939048 13.98647323 0.02659399 -0.10523181 0.09302906 -0.45357370 Ni 15.74223250 15.73634011 0.00782564 -0.86120246 -0.85009534 0.84411624 Ni 15.68960301 13.97440809 1.71975394 0.29805943 0.21985860 0.16273683 Ni 13.97876856 15.74427119 1.72796369 0.14643361 0.12818491 0.13640627 Ni 0.02686526 0.01473502 3.50209813 0.25645341 0.15526509 -0.29497557 Ni 1.74685952 1.71707227 3.48787927 0.30430662 0.09858381 -0.09840720 Ni 1.71664066 0.02205503 5.25072600 0.35976947 -0.38247182 0.01031060 Ni 0.00796711 1.71377596 5.21028195 -0.37420842 0.21096246 0.36378156 Ni 3.52708650 0.00777319 3.46789612 -0.46270049 -0.37398092 0.10413917 Ni 5.23798837 1.71164087 3.47419016 0.23228724 0.74195287 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13.91909928 -0.27970019 -0.25468012 0.32101161 Ni 5.24580364 3.47947500 15.73858907 -0.15540740 0.21155921 0.04594521 Ni 3.47993103 5.26580532 15.68570412 0.15404088 -0.28416481 0.37203668 Ni 7.01762460 3.45865780 13.98314012 -0.33962800 0.29399197 -0.28366361 Ni 8.74903065 5.20632082 13.98486655 -0.10037588 0.35018483 -0.46436745 Ni 8.70210536 3.47911011 15.69965094 0.38264516 -0.02480599 0.53951750 Ni 7.00360875 5.27784746 15.73824611 -0.17679243 -0.39545538 0.10430975 Ni 10.45591520 3.52052756 13.93853453 0.48139675 -0.36623602 0.44157023 Ni 12.23908460 5.26737322 13.97184607 -0.14684544 -0.14744842 0.09643312 Ni 12.21453752 3.47470292 15.74758892 0.07054991 0.06675631 -0.09593777 Ni 10.46604457 5.26224473 15.72923957 0.19348486 -0.12140175 0.14114485 Ni 13.95306108 3.49056163 13.96079616 0.14048215 -0.11948293 0.29835214 Ni 15.72223655 5.24883025 13.96094147 0.25284781 -0.13384281 0.22225822 Ni 15.73794722 3.52374502 15.72950030 -0.64331354 -0.15517118 -0.62368080 Ni 13.96987481 5.25040007 15.70434844 0.08985788 -0.07214578 0.19723668 Ni 0.02529123 7.00163071 13.95687976 -0.32619836 -0.08516595 0.23782302 Ni 1.72148679 8.71804004 14.00208824 0.38178157 0.18994429 -0.54123662 Ni 1.76254078 6.99710891 15.75060615 -0.39180404 -0.20240851 0.09327487 Ni 0.00701943 8.75350145 15.70081625 0.20732987 -0.12101275 -0.32254799 Ni 3.51228148 6.95913809 14.00276929 -0.21555718 0.20278072 -0.64457401 Ni 5.25615928 8.76663401 14.00403312 -0.05360959 -0.65878942 -0.39005076 Ni 5.25305394 6.95849974 15.72040202 0.11514291 0.18489118 0.12324569 Ni 3.47495420 8.69911280 15.70758041 0.16757540 0.29860732 0.36389951 Ni 7.02949661 6.96563859 13.92581098 -0.39355093 0.34448371 0.08092166 Ni 8.69086349 8.75263440 13.97129428 0.49356682 -0.33816648 -0.19181785 Ni 8.71061877 6.97212029 15.71646241 0.16730535 0.31351679 0.17922660 Ni 6.96599459 8.76422575 15.75023496 0.11615377 -0.38846301 0.14908531 Ni 10.48218724 7.00245769 13.94911454 -0.11874623 -0.08751102 0.12677464 Ni 12.20079756 8.74388573 13.94526864 0.29386381 -0.18223286 0.09281220 Ni 12.23824084 7.01879314 15.73747269 -0.09732987 -0.08116776 0.06066832 Ni 10.45164353 8.75232723 15.69634434 0.04060815 -0.17740342 0.30964554 Ni 13.96892919 7.01115700 13.94121066 -0.18509861 -0.25405327 0.36734741 Ni 15.68671860 8.75190644 13.97523325 0.58167905 -0.16462368 0.38564645 Ni 15.71934632 6.96595824 15.69431038 -0.41718335 0.06551591 -0.39131901 Ni 13.98264517 8.71937395 15.73514663 0.15313134 0.12802178 0.08930224 Ni 0.00189346 10.51692089 13.94426676 -0.30028816 -0.31463863 0.22729356 Ni 1.73726938 12.24521900 13.99286233 0.49897398 -0.08656313 -0.24224386 Ni 1.70468822 10.46353320 15.70584198 0.22173193 0.16719017 0.34798622 Ni 0.02254943 12.24761433 15.68572277 0.14835994 -0.05626899 -0.10490051 Ni 3.48486879 10.49344002 13.99551656 -0.30968820 -0.17340449 -0.29775544 Ni 5.24361375 12.22520855 13.98601460 0.15256958 0.14594808 -0.26389809 Ni 5.25342090 10.48540796 15.69157087 -0.11273891 0.16059981 0.52626496 Ni 3.49165366 12.24049207 15.72917744 -0.21970714 0.04896515 0.20380765 Ni 7.00137328 10.46640629 13.94464493 -0.29717391 0.41126495 -0.00377763 Ni 8.74584081 12.20694675 13.97598160 -0.27095257 0.20166173 -0.29867802 Ni 8.70192126 10.48104318 15.68348539 0.24708122 -0.02382197 0.58534217 Ni 7.03568217 12.22597168 15.72768833 -0.26313972 0.14737770 0.15933082 Ni 10.49199626 10.51288179 13.99650217 -0.30184458 -0.53736022 -0.55377006 Ni 12.19468654 12.22233591 13.94725538 0.57317253 0.22178054 0.25679645 Ni 12.24472908 10.45213587 15.68461212 0.09309843 0.12108910 0.44256748 Ni 10.49677750 12.22480189 15.68539883 -0.08299825 0.05018085 0.71302701 Ni 13.98925934 10.48150155 13.95854525 -0.37665569 -0.06773878 0.26601385 Ni 15.68472673 12.21365445 13.95391785 0.46265889 0.28585024 0.31691762 Ni 15.72803705 10.52178103 15.71871076 -0.53129570 -0.09719762 -0.43716685 Ni 13.95585164 12.24139664 15.70434158 0.16349417 -0.11782693 0.30054479 Ni 0.02441131 13.98235561 14.00473529 -0.45717628 0.34517406 -0.31077969 Ni 1.74612503 15.74277814 13.97584897 -0.13540858 0.21211572 0.18908279 Ni 1.71216542 14.00309237 15.70365714 0.36717777 0.16317622 0.36459397 Ni 0.02190497 15.74007319 15.71927333 0.73717773 -0.74020690 -0.78927828 Ni 3.51950949 14.00050660 13.96077815 -0.35380678 -0.45967677 0.36070987 Ni 5.25534391 15.68512879 14.02693723 -0.02022300 0.57693905 -0.10856864 Ni 5.25741615 13.94367029 15.71975815 -0.04092752 0.09445095 0.38982269 Ni 3.52199605 15.72977267 15.71548577 -0.20699689 -0.52181433 -0.36900517 Ni 7.01967385 14.00593451 13.98337788 -0.26412054 -0.56302046 -0.00550759 Ni 8.71174254 15.72653461 13.95587715 0.25880874 0.39155140 0.09377519 Ni 8.75346734 14.00393520 15.70929220 -0.15946268 -0.18585827 0.43000962 Ni 6.98252641 15.68543310 15.74340674 0.06870064 -0.23197044 -0.27559028 Ni 10.45494684 13.96058772 13.99959311 0.29976455 0.36803541 -0.36327608 Ni 12.19455369 15.75288895 14.00683501 0.12477365 -0.06968385 -0.20217458 Ni 12.24496815 13.96744349 15.72759655 -0.20753789 0.17046140 0.23294223 Ni 10.45549251 15.69000165 15.71726943 0.12243744 -0.19608906 -0.29888169 Ni 13.94460459 13.97312446 13.99794953 0.26567121 0.14651381 -0.32809683 Ni 15.72412401 15.70541971 13.95187070 -0.56763518 -0.74294250 0.19951892 Ni 15.72633452 13.94705193 15.74648383 -0.71110434 0.07798901 -0.82180585 Ni 13.96735666 15.68739410 15.69866734 0.20165207 -0.44457926 -0.49169128