500 Lattice="16.26289980703936 0.0 0.0 0.0 16.26289980703936 0.0 0.0 0.0 16.26289980703936" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1222.6571843356105 stress="-0.0016250804130940846 -0.004455247548230402 0.00348133427842522 -0.004455247548230402 -0.0013690772258377031 -0.0027147802696509448 0.00348133427842522 -0.0027147802696509448 -0.003255022977200389" free_energy=-1222.6571843356105 pbc="F F F" H 0.02780480 0.01188095 0.00549827 1.10239616 0.03886255 0.92489909 H 1.65706239 1.61880800 0.03189671 0.20315661 -0.64235884 0.16944374 Ni 1.61830413 0.02699728 1.64407475 -0.72076710 1.62821069 -0.30215455 H 0.00391501 1.65417218 1.60139371 0.59229472 -0.46885725 0.02847687 Ni 3.23002704 0.03072160 0.04538000 -0.72277207 0.46595506 -0.12378277 Ni 4.87555490 1.63580330 0.01556911 -0.48701557 0.53953014 -0.19664278 Ni 4.82028641 0.03269715 1.59470735 -0.07574138 0.10699659 1.39555214 H 3.25943711 1.65049635 1.68950184 0.38599777 -0.17082846 -0.01769667 Ni 6.50592300 0.05467716 0.00144429 0.44742451 0.12522694 0.26175773 Ni 8.17500779 1.62185804 0.02868365 -0.49624552 0.87214168 0.37457472 H 8.11017386 0.04218646 1.60148301 0.31922643 -0.03799618 -0.36514552 H 6.48382471 1.62564588 1.65208151 -0.53322423 -0.01907896 -0.52930635 Ni 9.71031485 0.01598533 0.01024499 0.02580656 -0.74813542 0.30217706 Ni 11.37895597 1.64751169 0.03092705 0.21018882 -0.18970204 0.53620749 H 11.34177233 0.00330835 1.59542355 -0.32123600 0.00436763 -0.09373429 Ni 9.79214080 1.61494747 1.63549069 0.05169247 0.66322259 0.83406496 H 13.02882866 0.02318889 0.02307705 0.03652243 0.09280798 0.12087311 H 14.58412732 1.64783759 0.03435294 -0.10185771 0.00767364 0.05986303 Ni 14.65678061 0.00434175 1.64136855 -0.69581606 0.52598750 -0.45567585 H 13.01270615 1.66030201 1.60748304 0.19232854 -0.17160236 -0.11899311 H 0.02119898 3.24961938 0.02412781 0.06852064 0.87911332 0.86806122 H 1.59862723 4.86680564 0.00262326 -0.32852915 0.40804601 0.01455709 H 1.66382104 3.20984051 1.60794338 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-0.08067496 0.57540935 Ni 14.66177186 4.89078420 0.03826741 0.31093673 -0.46081604 -0.37944251 H 14.64993951 3.21387504 1.64876402 0.03017895 0.12124320 -0.16164366 Ni 12.99006409 4.85720083 1.61998396 -0.98673786 -0.40788664 1.00709524 Ni 0.01850108 6.51352777 0.01146098 1.11294468 -0.19957596 0.68867939 H 1.63133086 8.12606498 0.02061432 -0.00472755 -0.55691836 -0.21143687 H 1.66947537 6.45380094 1.63666670 -0.25667878 -0.02246882 -0.28867944 H 0.02288718 8.14919212 1.66726798 -0.07805694 -0.01481419 0.16695499 Ni 3.23888163 6.50157446 0.02420853 -0.39039309 -0.10378523 0.87635291 H 4.85560287 8.10857774 0.01408468 0.13734194 -0.30182509 -0.09323708 Ni 4.85288754 6.50564776 1.62461608 -1.33514576 -0.83874929 -0.77668797 H 3.22917078 8.12941808 1.65440921 0.00538320 -0.29166184 -0.03187487 Ni 6.49415963 6.51045442 0.01511853 -0.12383619 -1.08457832 0.28983427 Ni 8.11586677 8.12576925 0.03165438 0.68618687 -1.21120607 -1.07782719 H 8.11799269 6.49097448 1.61471583 0.05723475 0.07873151 0.05710008 Ni 6.47679787 8.16201212 1.63525107 0.33171889 -0.75082854 -0.30482310 H 9.78485188 6.52841524 0.01619647 -0.14552444 0.08662140 -0.07432443 H 11.40230343 8.11488953 0.00616773 -0.05938731 0.06719628 -0.11403448 H 11.32036921 6.46073107 1.61548719 -0.12864984 -0.20092438 0.01758936 Ni 9.75782282 8.16212604 1.60584882 0.41792328 -2.84502855 0.64503939 Ni 13.01095856 6.52752865 0.00982600 -0.55475878 0.39983573 0.26965560 H 14.60187952 8.13774719 0.01869747 0.01511521 -0.18480762 0.18329308 Ni 14.66650327 6.52390101 1.60747330 -0.21578751 0.95283544 0.46161829 H 13.05643627 8.13383226 1.66783889 0.26206016 0.07684038 -0.03267695 H 0.00814305 9.78063127 0.02316126 0.16633767 0.57375525 0.12214907 Ni 1.60159269 11.35791829 0.00452169 0.15054933 -0.61910330 0.49167300 H 1.64981252 9.76465490 1.57221494 -0.27732569 0.24946398 0.08712031 Ni 0.00961410 11.43404205 1.62123485 -0.85998895 -0.02937794 -0.35291798 H 3.24956240 9.75768013 0.00934156 -0.33768534 0.35386249 -0.10127873 H 4.85313248 11.38965003 0.04428897 0.11436850 0.14634928 -0.35951804 H 4.88517261 9.77747565 1.61482003 0.36484677 -0.10497981 0.12022904 H 3.24336878 11.38150683 1.63939230 -0.31109723 0.25346832 -0.15632194 Ni 6.50911411 9.74184395 0.00122843 -0.58688259 1.16244878 -0.03257974 H 8.09287140 11.35886531 0.00251068 -0.04623092 -0.24083022 -0.15309348 Ni 8.14173175 9.73148896 1.66983343 -0.93213605 0.56902486 -0.79306515 H 6.53864462 11.39417873 1.64884468 0.10244536 -0.15588152 0.22655940 Ni 9.78592632 9.77382421 0.00045161 -0.02422975 0.51105720 -1.52544536 H 11.42353270 11.40649435 0.03826391 -0.09463839 -0.14505638 0.17993480 Ni 11.35193901 9.77267169 1.68136025 1.94129822 -0.23861552 -0.41435536 Ni 9.72436397 11.39382342 1.61719784 0.17792031 2.84423498 -0.98479134 H 13.00012044 9.72341426 0.02761999 0.11530312 0.19333437 0.11301713 H 14.66034446 11.41767677 0.02754338 -0.13126896 -0.27981514 0.39011447 Ni 14.62121259 9.73704851 1.60364779 -0.08678306 -1.05405265 -0.51016660 Ni 13.00484492 11.41099942 1.61155402 -0.20172934 1.62166785 -0.78053685 H 0.00872105 13.00653282 0.03051046 0.05466648 -0.14422548 0.24828972 H 1.65929324 14.60536577 0.00244670 -0.01698983 -0.11729458 0.10710020 Ni 1.59764534 13.01205332 1.64953083 1.17894681 0.57981408 -0.37559370 Ni 0.03472526 14.61981316 1.65710392 0.07767585 -0.79313056 -0.27492443 Ni 3.26838225 13.00639550 0.00085327 0.44590694 -0.02950599 0.89554276 Ni 4.90569213 14.65249158 0.00357321 -0.39622804 0.09173333 0.32728206 H 4.92443510 13.01431249 1.66062896 0.35699829 0.36984620 -0.11544240 H 3.24791477 14.64522286 1.66227302 -0.05312443 0.07110737 -0.03197471 Ni 6.46551955 12.98589691 0.01811528 -0.09690310 -1.79300580 0.84484879 Ni 8.10616703 14.58602784 0.03186029 0.66927351 -0.23393881 0.02023344 H 8.14401414 13.03581254 1.63639075 -0.15483187 0.45526370 0.07048049 Ni 6.49356097 14.61170792 1.58240195 0.19593574 0.43283975 0.64136190 H 9.75625681 13.03750256 0.01687755 0.17652738 0.36964668 0.07561665 Ni 11.41749489 14.60175349 0.01166725 0.03464275 -0.00694229 -0.46441246 Ni 11.34080052 13.03584517 1.64789603 0.36993223 -0.64342882 1.46581915 Ni 9.72413444 14.63493055 1.65607701 0.00153390 -0.47433531 0.66757644 H 13.06114351 12.99131951 0.01701614 -0.05895972 0.31614452 0.03398143 Ni 14.62900687 14.63195883 0.00828059 -0.78698369 -0.55205242 0.77499858 H 14.58744537 13.06420599 1.58606881 0.04543771 0.26553298 0.02634328 Ni 13.04350282 14.65227256 1.64245622 -0.29577110 -0.65550007 0.73000351 H 0.01902396 0.02724179 3.24075513 0.29621764 0.30255757 -0.01439362 H 1.58912750 1.62267760 3.25312366 -0.21470959 -0.08061636 -0.04266521 H 1.68466482 0.02547501 4.86013815 -0.24406876 -0.10662312 0.33711228 Ni 0.00622676 1.65301432 4.84760389 1.01776293 -0.28376765 -0.55364863 H 3.21376572 0.03395533 3.23662316 0.18366315 -0.22573440 -0.17269805 Ni 4.89337054 1.66700001 3.25854684 0.10463759 0.10848672 -0.50945818 Ni 4.85880420 0.00599840 4.85974257 -0.46990582 -0.11845429 -0.06032963 H 3.26425942 1.58459922 4.91128010 0.26307261 -0.26885132 -0.13256500 H 6.53591294 0.00309712 3.24629653 -0.40512528 -0.08708860 0.17961869 H 8.15801435 1.64417487 3.30076625 0.35548447 0.09740300 0.13686626 H 8.12830994 0.01152996 4.91430174 0.03189459 -0.09210597 0.21357204 Ni 6.49699163 1.63622758 4.87331942 -0.21188473 0.16639732 -1.16507337 Ni 9.74922492 0.00048029 3.31015449 -0.28518845 0.83093253 -0.03954296 H 11.43468428 1.61785229 3.20678137 -0.29110700 -0.35106574 0.06695095 Ni 11.38243569 0.02495135 4.86722765 0.12622473 1.03166710 0.20808216 H 9.76031209 1.65839161 4.91382719 -0.07241940 -0.23929107 -0.09058295 Ni 12.98032570 0.00272148 3.25411720 -0.40906400 0.61731271 0.00378871 Ni 14.66550210 1.57896687 3.26364183 -0.51750744 0.27560640 0.48899869 H 14.64597282 0.04228223 4.86204262 -0.03410070 0.05309579 -0.00668603 H 13.03444397 1.63128658 4.89020188 0.37785605 -0.14511236 0.17037230 H 0.01599414 3.23859008 3.23831458 -0.19891482 -0.04750978 -0.00990484 H 1.63741479 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1.66334558 0.06323494 Ni 14.65650617 9.78517793 4.85841777 -0.25128530 0.35294134 0.82510912 H 12.99916361 11.32902794 4.85239435 0.33894421 0.07141836 -0.19312405 H 0.00918163 12.95188435 3.25400632 0.10904463 0.05935297 -0.48402323 Ni 1.65665425 14.61007762 3.22777770 0.37155582 -0.67538237 0.57767912 H 1.65856347 13.01055699 4.86246597 0.03434276 0.13606695 -0.10543080 H 0.00490221 14.64108498 4.83286243 0.17149377 -0.14638421 -0.02441871 H 3.26766856 13.01545251 3.25715015 -0.05170026 0.11985935 0.35358640 Ni 4.90069031 14.63431945 3.27635838 -0.63547940 0.26370367 -1.34921113 Ni 4.85793896 13.00482450 4.85361058 0.10939110 1.79128237 1.84225590 Ni 3.25722060 14.64901038 4.86164999 -0.84977788 -0.80579893 0.76104109 Ni 6.54022285 13.01960652 3.27436842 -0.27920412 0.45131840 -2.45734632 Ni 8.12835525 14.63522072 3.26143040 0.00981476 0.29226134 -0.47764860 Ni 8.13038537 12.98981809 4.89478494 1.34451386 1.58608690 1.39570040 H 6.49843069 14.62280703 4.85477383 -0.01291599 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