108 Lattice="9.69451454707588 0.0 0.0 0.0 9.69451454707588 0.0 0.0 0.0 9.69451454707588" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.5301927570067 stress="-0.009872198569772261 -0.01221912595928568 0.014592604328645724 -0.01221912595928568 -0.0006308960511057555 -0.00860539402047868 0.014592604328645724 -0.00860539402047868 -0.0030336261580281927" free_energy=-252.5301927570067 pbc="F F F" H 0.00219660 0.03194438 0.02751331 0.06799103 0.99789990 0.81601551 H 1.66861218 1.61601507 0.00258986 -0.04144847 0.28710524 0.11717394 H 1.59752615 0.03377522 1.57007841 -0.07962539 0.14861361 -0.08655741 Ni 0.01176649 1.59334421 1.59779762 0.49510098 -1.98161584 -0.00972869 H 3.23547771 0.02472754 0.01728265 0.31211294 0.21108532 0.52800682 H 4.84468727 1.55724139 0.04031318 -0.29980191 -0.16554955 0.05142077 Ni 4.83931104 0.00388847 1.63385335 0.98587639 0.29593505 -0.62167462 Ni 3.22618510 1.59332022 1.57544340 -0.83575893 -0.44800963 0.07141049 H 6.44221890 0.03509997 0.01710984 -0.00563685 -0.07998882 0.72928389 H 8.09098571 1.63331812 0.01301831 0.03818219 -0.02386123 0.78853565 Ni 8.05204798 0.01546797 1.63701456 -1.36721723 1.41986273 0.29451911 H 6.40867813 1.62488329 1.62014862 0.04903731 -0.10952876 0.22916121 Ni 0.02697648 3.20142089 0.00715808 -0.50836263 0.24690420 -0.44045969 Ni 1.60703631 4.84442311 0.00833782 -1.21021207 0.37957817 -1.83102885 Ni 1.56929563 3.23797901 1.60289743 0.30242020 -1.04541097 1.08796913 H 0.04153424 4.89677239 1.56099317 0.25763002 -0.09906779 -0.29963122 Ni 3.20437080 3.25262788 0.02685435 0.67881483 -1.40988016 -1.48459506 Ni 4.87818433 4.84459063 0.01729030 1.52397816 0.35914503 0.58551233 H 4.84229877 3.18524961 1.62412949 -0.27860268 -0.05229986 -0.01646754 Ni 3.24172694 4.83678003 1.59003098 2.61710793 -0.59774411 2.11617271 H 6.48538833 3.24207740 0.02552494 0.06646718 0.21822164 -0.00961227 H 8.06682241 4.87309260 0.00578033 0.16335683 -0.01160822 0.34349260 Ni 8.03971064 3.26330822 1.64048957 -0.25385889 -0.70517071 -1.19897016 H 6.48919146 4.86152721 1.57432384 0.37052071 -0.04544437 0.20964922 Ni 0.02674628 6.47654274 0.01389739 0.26883670 -0.15124362 0.42853906 H 1.61163201 8.08304705 0.03509357 0.05068780 -0.14314717 0.00101575 Ni 1.62229351 6.51143955 1.64466532 -3.15323756 0.07470679 -0.49575856 H 0.02856317 8.06897689 1.59173447 0.02270621 -0.09485231 -0.07027686 Ni 3.22235045 6.43976758 0.00070300 0.26206895 0.92049189 -1.46595233 Ni 4.84880791 8.06532219 0.02597443 1.03937689 -0.90971491 0.61346806 H 4.81506561 6.48441521 1.67678080 -0.43551220 0.08423705 -0.17240144 Ni 3.20046761 8.07822685 1.61246212 1.05419195 1.11395831 -0.38213926 H 6.47278589 6.45311964 0.00837179 0.06094080 0.18430279 -0.19752038 Ni 8.08009552 8.10972018 0.01615226 -0.84027169 -0.35366189 0.33022170 Ni 8.07051794 6.47676238 1.64304281 -0.33048414 -0.34508408 -0.51529599 H 6.40472975 8.04226375 1.59339099 0.20837379 0.04620300 -0.20454589 H 0.03186243 0.04713405 3.19439126 0.00091892 0.13431124 0.18827328 H 1.59631446 1.57547889 3.19677912 -0.37118053 0.02592286 -0.11197722 Ni 1.60215144 0.01466371 4.82198032 0.59726115 0.66849442 -0.47749917 Ni 0.03473001 1.58887573 4.89722329 -0.43358929 0.70596491 -0.40300735 H 3.22112960 0.02859393 3.21860670 0.23423511 -0.00261046 -0.15789429 Ni 4.83206414 1.55875616 3.22998342 0.40041802 0.26950174 1.02488071 H 4.81018402 0.00619089 4.81627382 -0.00466721 0.23454374 -0.40330504 H 3.25627759 1.60539386 4.81782420 -0.05223818 -0.10650384 0.11240859 H 6.47327018 0.01432760 3.21627334 0.00623084 -0.19773925 -0.16404773 H 8.07875415 1.58664830 3.22529571 0.19461833 -0.01787721 -0.07238466 Ni 8.06093374 0.02691394 4.81947468 -0.77554436 1.08387411 -0.46967713 H 6.46502391 1.59890575 4.87416112 0.33223937 0.10025108 0.02403017 Ni 0.02164493 3.24191611 3.22292610 -0.69882438 -0.47007721 0.13600996 Ni 1.63548163 4.84277954 3.25226585 -0.27311615 -1.02477305 0.53862537 H 1.62158088 3.24056236 4.85886753 -0.34836330 -0.04910005 -0.00298933 Ni 0.00138438 4.87543112 4.84609738 -0.35753935 -0.70819938 0.84855474 H 3.19488496 3.22461564 3.22053410 -0.08655362 -0.04822905 -0.40229468 H 4.87014491 4.89028275 3.19490232 0.15970160 0.17838815 0.01177856 H 4.86075289 3.22178721 4.86567735 0.19479688 0.09917427 0.16694239 H 3.21879328 4.82895347 4.89515021 -0.07573483 0.07142498 0.02560381 Ni 6.47684161 3.24518442 3.20140619 -1.96233212 -0.86827988 -0.26707553 Ni 8.08104343 4.81337726 3.26364975 1.97156439 0.65239502 -0.97716313 Ni 8.10579415 3.20986538 4.84180204 1.33717556 -1.78326954 -0.60542825 Ni 6.48248971 4.88037994 4.87360109 -2.62309632 -0.80408442 -1.33178470 H 0.02641747 6.46235934 3.23392015 0.25675866 0.07125581 0.35995605 Ni 1.58865931 8.09556611 3.24109251 -0.75347612 1.27710212 0.20799317 Ni 1.59881321 6.48579204 4.83474728 1.64733980 -1.01505603 1.11853221 Ni 0.00608332 8.06349606 4.87207920 -1.30028607 0.54444868 -0.72221151 Ni 3.21467165 6.46604887 3.22230871 3.53574310 0.12742413 1.28574469 H 4.87194881 8.09440372 3.26028359 -0.07514176 0.02315326 -0.10253962 H 4.83784051 6.42772785 4.86131503 0.29271915 -0.23296473 -0.04116221 H 3.25545084 8.10607314 4.82209371 -0.35285719 0.10972923 -0.09658375 Ni 6.43535044 6.44006053 3.22888928 -1.83295595 0.73794063 -0.85401648 H 8.10864649 8.05926817 3.21561274 0.04578568 -0.24726688 -0.06121008 Ni 8.10713109 6.43696091 4.86691034 1.56515771 1.44182466 -1.00970377 H 6.49207999 8.09412879 4.85900999 0.28549869 -0.00790082 0.10268680 H 0.00281904 0.05263458 6.46070985 0.10464469 0.27717874 -0.17166209 Ni 1.58412825 1.61543001 6.45598943 0.43163544 -0.61273716 -0.49039217 H 1.59720000 0.00517415 8.07775351 -0.00770586 0.32692893 0.03726101 Ni 0.00419021 1.64665747 8.04993500 0.28192051 -0.35036413 -0.67053315 H 3.28963931 0.02873688 6.42205493 -0.30305300 0.05709982 0.05363555 H 4.86857636 1.60067935 6.43138488 -0.19903604 0.14011659 0.22484198 H 4.83342196 0.00864463 8.09765936 -0.54483755 0.79363260 -0.06479083 Ni 3.24197012 1.62075011 8.07638656 0.83369894 -1.06535432 0.12875454 H 6.44433208 0.03107886 6.51801555 0.52696975 -0.12397989 0.05981373 Ni 8.04989668 1.59627517 6.45777444 -0.00357517 -0.77960977 0.03410438 Ni 8.10660198 0.00401815 8.08145017 -0.46555651 0.72914979 -0.70698734 H 6.49505866 1.57017578 8.07536599 0.47547535 0.01544526 0.03904001 H 0.02503602 3.24643984 6.50007370 -0.04699393 -0.41170630 0.10917792 H 1.55577873 4.87842587 6.46464705 -0.10923127 0.25827913 0.21636472 Ni 1.61502882 3.21819230 8.02018324 -1.26972290 1.54867778 0.37114088 H 0.03203806 4.81479818 8.09434991 0.05379119 0.16166290 0.13123487 Ni 3.28019272 3.20035583 6.44595642 0.26306749 0.05305848 -1.79027392 Ni 4.85970270 4.83463748 6.46474594 -1.11665210 0.18108078 -0.20618383 H 4.85785525 3.22463486 8.06980354 -0.30724311 0.03682848 -0.11449060 Ni 3.17458710 4.85819748 8.07833214 0.26903240 -0.10318526 0.02871957 Ni 6.45904488 3.23413258 6.48042700 -2.04785121 -1.57972129 0.58024442 Ni 8.10653807 4.83206830 6.45273442 1.70938059 0.60705955 1.68221300 Ni 8.09772273 3.20640801 8.08020565 0.05719907 -0.37387547 0.41340593 H 6.39916337 4.88159411 8.08447192 -0.06875900 0.04516337 -0.20736196 Ni 0.02763719 6.49055853 6.46093071 -0.97201529 -0.86726978 1.43455500 Ni 1.63591582 8.08395454 6.44182392 1.20573740 0.76931409 0.52788871 Ni 1.64543489 6.48326570 8.08758915 0.16652678 -0.17064639 -0.33552829 H 0.01379633 8.09181970 8.08621252 0.29456501 -0.29983139 -0.27406905 H 3.21757124 6.50342651 6.48443590 -0.19675859 -0.06182874 0.40543599 H 4.89005414 8.07842418 6.40292422 0.29283452 0.08396033 0.34783961 Ni 4.87695415 6.49522689 8.09342649 -1.11614631 -0.09132407 0.33289100 H 3.24380291 8.02690920 8.03396924 -0.20107904 -0.07910394 0.07184169 Ni 6.45701619 6.44112567 6.46344681 -0.59097100 1.01470483 0.44054395 Ni 8.05544729 8.03063197 6.49748314 0.40698037 0.15187011 0.04819466 H 8.10719549 6.42392018 8.04108624 0.02226712 0.22750808 -0.13806582 Ni 6.44574484 8.08021029 8.08713947 0.23504591 0.30325828 0.19417934