108 Lattice="9.631139477549322 0.0 0.0 0.0 9.631139477549322 0.0 0.0 0.0 9.631139477549322" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.87378816905348 stress="-0.0031665476807852273 -0.011107400214004798 0.00410089396959314 -0.011107400214004798 -0.013117464407716805 -0.0011661265998703211 0.00410089396959314 -0.0011661265998703211 -0.002373392682056536" free_energy=-253.87378816905348 pbc="F F F" H 0.01104520 0.03286935 0.02160802 0.52047773 0.19043665 0.20381659 Ni 1.63116955 1.58332184 0.02548202 -1.63000206 1.59336821 -0.69979433 Ni 1.59062901 0.02429865 1.57827625 -1.61501250 -0.82730159 0.86521226 H 0.04096858 1.57412346 1.61465078 -0.04994897 -0.12351256 0.10667001 Ni 3.23975324 0.03046533 0.01949789 0.89330178 -1.60658972 -0.49226820 Ni 4.83607889 1.62193307 0.00286424 0.70600018 -0.49669693 -0.85242589 H 4.79561481 0.03123891 1.58229663 -0.12981930 0.33643530 0.08322992 Ni 3.19860229 1.59978845 1.57745261 -0.77760032 1.66990315 1.56591713 H 6.41298825 0.03063733 0.02288038 -0.21748983 0.37324451 0.07183126 H 8.05683365 1.62570973 0.02595459 -0.65323180 0.03044230 0.66151691 H 8.03391860 0.05129534 1.61311192 -0.18682133 0.23620911 0.32168568 Ni 6.44015478 1.62163405 1.63357085 1.39769477 -0.02455872 -1.79183881 H 0.02481273 3.22617781 0.00311083 0.54864899 -0.45807367 0.12112622 H 1.58072302 4.82015559 0.03539937 -0.38954974 0.33735608 -0.13396056 H 1.58255190 3.25544879 1.55103421 -0.17983811 -0.07662734 0.06394977 H 0.03610572 4.81041577 1.62641476 -0.15061189 0.03438409 0.25985657 H 3.15976642 3.25729376 0.03338929 0.08103023 -0.36866455 -0.08722030 H 4.80019160 4.81304557 0.04313444 0.30393512 0.15177255 0.09809930 Ni 4.80719222 3.17854891 1.60226216 -0.52156158 2.80013151 0.19664985 H 3.16662388 4.85671713 1.54792515 0.07122774 0.12982720 0.20871828 H 6.40093310 3.22434714 0.02642691 -0.23545313 -0.21638662 0.11672674 H 7.99204697 4.82273207 0.01424383 -0.22684556 0.43702591 0.23576118 H 8.05594533 3.16872043 1.58225139 0.00918314 -0.25381453 0.11774091 Ni 6.42438076 4.78992214 1.63437913 0.46908510 -0.97917831 1.13617191 Ni 0.01127507 6.43623626 0.02524746 0.54346619 -1.00406519 0.79134717 Ni 1.59881922 8.01065913 0.02938493 1.39355226 -0.48481441 0.78212122 H 1.63109097 6.44145599 1.59623798 -0.47363748 0.37473686 0.19923112 Ni 0.02404875 7.99270959 1.57841876 -0.52964875 0.49901227 0.53811906 H 3.17842876 6.40994084 0.00569068 0.11141373 0.33142603 -0.24805953 Ni 4.83931682 7.99675496 0.02830136 -0.66260823 0.32937229 0.76110563 Ni 4.82039207 6.42986345 1.65754646 0.17197414 -0.78570115 0.06074299 H 3.18024244 8.00555794 1.60446005 0.18121127 0.01522103 0.04979759 Ni 6.40333908 6.42698175 0.01512177 0.70495949 0.13803764 -0.56492956 H 8.05381805 8.01581466 0.00586285 -0.21570468 -0.49268015 0.22758259 Ni 7.99908305 6.43550960 1.62227499 -0.42545079 0.30083092 0.44201730 H 6.41280451 8.00344159 1.61780787 -0.10163787 -0.16877234 -0.07063109 Ni 0.00885132 0.01352280 3.24839058 0.58106752 1.22337781 -0.22149285 H 1.64897659 1.57322810 3.20966289 0.07296382 -0.60324137 -0.00508968 Ni 1.60312426 0.01748597 4.81098034 -1.51815341 -0.28255230 0.01453024 H 0.04238792 1.61366019 4.84476621 -0.11255018 0.00823279 -0.04961876 Ni 3.20883577 0.00496932 3.22475389 0.36285491 -1.61046371 -0.57173461 Ni 4.79310896 1.63311081 3.19609746 1.34908173 0.60284602 1.51891096 H 4.81808446 0.04415353 4.77674324 -0.29820268 -0.03012141 -0.31475861 Ni 3.24144551 1.61236062 4.79169740 -0.06587214 1.95749112 -0.50474656 Ni 6.41255340 0.03005666 3.21329011 -1.02902422 -1.09548956 0.05150090 Ni 8.02051825 1.60935885 3.22591205 0.11222690 1.34295342 0.27902924 Ni 8.01583766 0.03341571 4.78570503 -0.07761155 -0.34729382 0.74708276 H 6.40640164 1.55842463 4.78656251 0.48067121 -0.41210881 -0.30052532 Ni 0.00047189 3.20381832 3.20194664 1.18707507 -0.85032980 0.42241152 Ni 1.60979236 4.82399999 3.20724785 -0.29783532 -0.51433211 -0.62240639 H 1.59581843 3.21694080 4.85986587 0.04058661 0.02906087 0.14453819 H 0.01910828 4.81466780 4.84360368 -0.26632267 -0.22828983 -0.30905187 H 3.23135740 3.20541112 3.18891514 0.17422210 -0.15341365 -0.05446687 H 4.79294608 4.83982659 3.24209090 0.02876350 0.35581251 -0.04705052 H 4.84136140 3.21541011 4.78150789 -0.29180096 0.09689714 0.15151703 Ni 3.20969226 4.80570071 4.82455301 -1.35231506 -1.61590437 -1.21458125 H 6.40005986 3.18892889 3.21213091 -0.09205212 -0.17110108 -0.40375638 H 8.01912207 4.81692142 3.19337826 0.05836158 0.28808236 -0.06737759 H 8.04508518 3.21068590 4.77486440 0.19857723 -0.08198907 0.10895206 Ni 6.43738992 4.81532064 4.81030127 -0.17650806 -2.58355534 -3.00102231 Ni 0.01492885 6.42742096 3.21975676 -0.14542699 -1.23299866 -0.20217244 Ni 1.62321898 8.02586683 3.20351446 0.54869322 0.59139620 -0.99066866 H 1.59061106 6.44643951 4.82874238 0.20168973 0.27111104 -0.56715500 Ni 0.01105964 8.05445364 4.78587627 0.81415957 -0.40676983 0.61948068 Ni 3.19618383 6.45252263 3.20430444 -1.47294284 -1.13527311 -1.90170741 Ni 4.81231824 8.00655015 3.23150253 2.07751982 1.50742502 -1.15784745 Ni 4.82520082 6.39330410 4.79640156 2.06462457 1.07295512 -1.36506441 Ni 3.23349904 8.01376083 4.82727855 -1.40785285 1.39400520 1.39739132 H 6.46698015 6.41709228 3.21316481 0.14461119 0.03084407 -0.06535947 Ni 8.03842133 8.03759856 3.15475574 -1.48471923 -0.46604386 0.05253832 Ni 8.04566646 6.41578381 4.80503467 0.23635765 1.02525456 -1.14332019 H 6.43040639 8.03724104 4.79505625 0.10280149 0.01316857 -0.19782861 H 0.02002988 0.00763382 6.41321887 0.22870549 -0.11423830 0.08376370 Ni 1.61465029 1.65092265 6.47238662 -1.23494777 -1.03425870 -0.67914237 Ni 1.56827678 0.01277104 8.03638403 0.39716672 0.58210077 -0.36337729 H 0.05453474 1.66267536 8.04714131 0.22874733 0.14114290 -0.08316387 Ni 3.22677055 0.00039446 6.37016309 1.19406925 -0.60069070 0.69471288 H 4.77868157 1.64770447 6.41086057 -0.40081352 -0.26185684 0.08407229 Ni 4.85991396 0.00918343 8.02278356 -0.33025269 0.84837282 -0.73457626 H 3.19130839 1.55200287 8.01129792 -0.27323813 -0.29015913 -0.10153589 H 6.46922822 0.01799420 6.43438820 0.25668762 -0.08566650 0.11184455 Ni 8.03870474 1.59697417 6.39374941 -0.95327284 0.20531013 0.05699159 H 7.97945915 0.02864648 8.01533657 -0.03069121 0.58197761 -0.59872130 H 6.43746085 1.61466179 8.04196787 0.21446597 -0.12345041 0.10058629 Ni 0.02926577 3.21562439 6.40551366 0.38260691 0.80863469 -1.32782158 H 1.63150773 4.78206225 6.39057903 0.40688956 -0.21816845 0.44692723 Ni 1.58456329 3.21519602 8.00488644 -0.49538861 0.48245318 1.56014455 H 0.01905812 4.81828345 8.02372095 0.15022279 -0.18299221 0.00755128 Ni 3.21409021 3.23548747 6.42499131 0.47302398 -1.10045637 0.06527318 Ni 4.82540937 4.83479493 6.41786709 0.81961956 -3.12124867 0.40740805 H 4.86524068 3.21607086 8.04822223 -0.10089104 0.33798198 0.13613632 Ni 3.18443898 4.83158915 8.02369170 0.01116384 -0.60686300 1.60689556 H 6.39303210 3.19941642 6.45763558 0.45958020 0.37635297 0.21327535 Ni 7.99942500 4.82166487 6.42271858 2.01465701 -1.77893598 -0.51040559 Ni 8.01598421 3.23658837 8.01031076 0.09599054 -0.67742955 0.13102528 Ni 6.42533112 4.78361159 8.02778736 -0.90451050 -1.50261901 1.67501933 H 0.03395529 6.37752271 6.44408176 -0.06368405 0.26861447 0.14919175 H 1.62659557 8.05095469 6.42409260 0.00919329 0.04433932 -0.01019376 Ni 1.62921628 6.42761317 8.04794575 -1.54610484 0.64698872 -0.41633013 H 0.01620969 8.01151275 8.02994476 0.92449977 -0.85921298 -0.21234624 Ni 3.18256410 6.44523533 6.43168391 -1.89915641 1.53491566 -0.11575354 H 4.83033233 8.02951340 6.46618000 -0.14318625 -0.10737622 -0.04057339 Ni 4.84971647 6.41648142 8.02988986 -0.25183496 1.90978360 1.48654457 H 3.19156951 8.03713446 8.02630889 -0.06615006 -0.25837206 0.09675412 Ni 6.40654861 6.39797187 6.41750399 0.50775192 4.12307019 0.07221995 H 8.02939713 8.03348114 6.42434482 0.07633361 -0.24219008 0.04186737 Ni 8.00527616 6.42095228 8.04778265 0.32738484 0.62587263 0.31694318 H 6.43002405 8.04670899 8.02847902 0.03295561 -0.28310447 0.07409591