256 Lattice="12.921950012625944 0.0 0.0 0.0 12.921950012625944 0.0 0.0 0.0 12.921950012625944" Properties=species:S:1:pos:R:3:forces:R:3 energy=-612.4335466599177 stress="-1.1921429457829262 -7.751245317903663 -6.194931654510185 -7.751245317903663 -8.060834236782554 27.149419450041265 -6.194931654510185 27.149419450041265 -6.0224097561666206" pbc="F F F" Ni 0.02351804 -0.00052622 0.02036528 0.31118583 0.15411782 0.71933355 Ni 1.61309353 1.62281135 0.02680278 0.66593114 0.15270147 1.36661956 H 1.62168354 -0.00106765 1.60084787 -0.50178453 0.10691300 -0.18155467 Ni 0.00006357 1.64003000 1.62524285 -0.38899982 0.37083905 -0.92535350 H 3.21178700 -0.00830979 0.00353301 -0.05188224 0.21107574 0.17743181 H 4.87975716 1.63946310 -0.01317009 0.20414280 0.10046571 0.02033776 Ni 4.87141522 -0.00764328 1.62773701 -0.09582774 0.54133912 0.21387713 H 3.24691821 1.62482236 1.57072592 0.13270969 0.10186166 0.10552458 H 6.44607139 -0.00496473 0.03434018 0.13415429 -0.00906460 0.21613218 Ni 8.10715681 1.62035413 0.01187056 1.35240270 0.71946799 0.00964123 Ni 8.08562890 -0.00153520 1.59607952 0.25331411 -0.91258830 0.25278201 Ni 6.50109853 1.63830058 1.62270573 -0.27763685 -1.08519471 -1.22546274 H 9.71651024 -0.00664709 0.02173747 -0.15994717 0.28522230 0.08106806 Ni 11.31400188 1.60755942 -0.02510645 -1.19278162 0.04031474 1.04491966 H 11.29243287 0.02254683 1.61877428 -0.14466297 0.57679520 -0.48803577 H 9.66841332 1.61520513 1.57359915 -0.14831936 -0.29806484 -0.22355185 H -0.00153130 3.19366976 -0.02184915 -0.01108618 -0.22393675 0.05583909 H 1.65389206 4.85479468 -0.02213957 -0.08788220 0.42443360 -0.11223197 H 1.62893836 3.18999226 1.59471288 -0.36778355 -0.26089012 0.37956271 Ni -0.01204829 4.84925768 1.64085036 -0.23179949 -0.26396283 -0.36654880 H 3.22651875 3.21514650 0.00777791 -0.06356082 -0.23938419 -0.13330956 H 4.85339286 4.83246300 0.00894942 0.24232153 0.01521592 -0.05836976 Ni 4.85771295 3.21639523 1.64495104 -2.33087944 0.69836393 -1.97416195 H 3.20096104 4.82483588 1.66796142 -0.15676578 0.01288445 0.17452177 Ni 6.47275530 3.26246278 -0.00344381 -0.39636724 -0.07806705 -0.84149435 Ni 8.05629763 4.84861786 -0.00771958 1.29908413 -0.78467691 -0.28594054 H 8.08862931 3.27499408 1.61221733 -0.46927694 0.06070154 -0.27019560 Ni 6.47771987 4.84993463 1.62443850 0.58468942 1.18706342 1.24314783 H 9.67389651 3.22064374 -0.00088343 0.09417833 0.04261615 -0.20217081 Ni 11.31293952 4.83088748 -0.00524985 0.15974851 -0.92400628 -0.26332116 H 11.29300943 3.23100794 1.65027903 0.18980441 0.23407137 -0.13544046 Ni 9.69886677 4.87382453 1.62916245 -2.18546038 -1.56644240 1.22952307 Ni -0.00013985 6.48570359 -0.00034429 -0.31953002 -0.32218124 -0.90973786 Ni 1.61107830 8.09388068 -0.00012744 0.80301336 -0.42959464 -1.71954323 Ni 1.62890956 6.46437230 1.61818619 1.00772461 0.25881752 1.52177647 Ni 0.01401503 8.08673483 1.61126684 -1.24719761 -0.17652519 2.41075073 Ni 3.22868657 6.50472662 -0.00558818 0.95062565 0.03549745 0.49830425 H 4.86645428 8.07860404 0.00356251 0.23088857 0.01500491 -0.15128630 H 4.81725960 6.47923883 1.62602593 0.29895512 0.04676166 -0.32617403 H 3.22527318 8.08729847 1.63114612 -0.42769224 0.13430445 -0.36557902 Ni 6.47265592 6.45539555 0.01423891 -0.37269914 0.64945778 -0.47365761 H 8.03268172 8.13301180 0.02897578 -0.29656673 0.15899781 -0.17938424 H 8.10547784 6.46772120 1.62337598 -0.21695711 -0.17433114 -0.36708544 Ni 6.43778644 8.05922867 1.59491670 -0.24998305 0.25510969 0.59943266 Ni 9.68807087 6.46550410 0.02899749 -1.67072868 1.66294662 -0.56088751 Ni 11.31248912 8.08823695 -0.02578838 0.20332131 0.34104642 0.29627232 Ni 11.27748902 6.44266656 1.60433992 0.63678674 1.68731816 1.16449120 H 9.67369661 8.02704790 1.58890061 0.24262486 0.02138042 -0.26813160 Ni 0.03936634 9.66966859 -0.01806125 -0.61496540 0.50892124 -1.14907784 H 1.61164933 11.30944975 -0.00536970 -0.17211353 -0.15577110 0.01550340 Ni 1.61008327 9.68358107 1.63618222 0.98148832 -0.25700777 1.01034791 Ni 0.05264842 11.30740635 1.56916374 -0.48419476 0.08454281 -0.11586325 Ni 3.20467366 9.67017805 -0.02884937 1.16514065 0.25214264 0.78893131 H 4.88575874 11.27640719 0.00002622 0.04759864 -0.55771167 -0.08341921 H 4.84012725 9.67618555 1.61089429 0.08419757 0.09178736 -0.04395439 H 3.19574403 11.31621031 1.57864848 -0.00854011 -0.08284982 0.26553036 Ni 6.49602131 9.66308169 0.01940364 0.10366970 0.13463419 0.65426723 H 8.08514710 11.27938042 0.00253948 0.00317991 -0.60968378 -0.11387005 H 8.06026728 9.67039807 1.60465863 -0.08463219 -0.22499355 -0.15597433 H 6.42008485 11.33660194 1.65196876 -0.30169114 0.00016895 0.02787560 Ni 9.69494006 9.66266639 0.00404950 -1.06496150 -0.10272429 1.25882329 Ni 11.32293215 11.30922959 0.01905300 -0.39736324 -0.84517886 0.92394417 H 11.27584523 9.69083267 1.59450323 -0.00783635 0.23938134 -0.24544139 H 9.72253866 11.28016222 1.57471345 0.34847710 0.01475650 -0.09042890 Ni 0.02630823 -0.00423040 3.25999119 -0.75159775 -0.06948478 -0.24632366 Ni 1.60616411 1.63085261 3.24492031 0.64428480 0.04643571 -0.94935491 Ni 1.61775317 -0.02380045 4.80973403 0.60218658 -0.91227727 0.69119659 H 0.01502601 1.61000709 4.85850586 0.12138946 -0.42065611 -0.05209675 H 3.22338108 0.00307180 3.21778034 0.19163889 0.04148537 0.30594611 Ni 4.85918770 1.63315913 3.26075998 -1.34662438 -1.40622930 -0.57270115 Ni 4.83000104 0.02988403 4.82891228 0.03551677 -1.08593500 0.41752188 Ni 3.21245842 1.61466221 4.85812215 0.76740709 0.94720400 1.88410546 H 6.47389720 -0.02114398 3.21970070 0.01459362 0.27672833 -0.02256231 Ni 8.06696614 1.58819959 3.19981502 2.67439945 0.07644974 -0.49402681 Ni 8.09459306 -0.01119184 4.83080005 0.77239550 -0.63823577 -0.24647481 Ni 6.45181187 1.59741324 4.81358670 -1.54461737 -1.05761111 1.49605868 H 9.68275363 -0.01878462 3.21071521 -0.19629465 -0.16385189 0.10511067 H 11.28817263 1.60818779 3.24817587 0.13612603 -0.35187380 0.33672864 Ni 11.30411292 0.02248522 4.87451780 -1.35624328 0.68671956 0.26889722 H 9.65186658 1.62366016 4.87472409 -0.19945704 -0.11342845 0.26414638 Ni 0.01548773 3.23478656 3.20840747 -0.36343399 -0.64444592 0.99928978 Ni 1.62826007 4.83711455 3.25998872 0.84908347 0.64327052 0.52990194 H 1.62670468 3.23213709 4.82125309 -0.00206219 -0.11677500 -0.52242843 Ni 0.01266816 4.89303476 4.87172948 0.54719921 -0.07474293 0.04362850 Ni 3.21493995 3.22592496 3.23969151 -0.19977673 1.22550669 -0.11709961 H 4.82525025 4.82857074 3.21611186 0.12758661 -0.37920008 -0.31855535 H 4.84583846 3.24336275 4.85524205 0.11216017 -0.25286841 -0.17431760 H 3.25180875 4.89274503 4.84764309 0.01088362 0.04805858 -0.01912008 Ni 6.44029895 3.21296520 3.24327880 0.35074473 3.14058604 0.67986238 H 8.05713693 4.86232725 3.21322632 0.00726096 -0.27799244 0.00258716 Ni 8.05268122 3.25101485 4.85733749 0.91293326 1.50837693 -0.42466629 H 6.46994031 4.87801785 4.85290595 -0.06649019 -0.23447002 0.25677357 H 9.75136629 3.22008606 3.24124573 0.03018607 0.36378125 0.11147775 Ni 11.27689840 4.86692546 3.23858770 0.10469594 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8.11711472 9.67325093 4.84471104 -0.47840666 3.46382396 -1.12187935 Ni 6.47067052 11.30282365 4.86863228 -0.41006810 -0.38287962 -0.51407206 Ni 9.71716224 9.69245494 3.23508280 0.25466716 0.63023921 -2.41204480 Ni 11.28922938 11.29402322 3.24142935 -0.30540940 -0.07968162 -0.81822713 Ni 11.33617453 9.72311847 4.86231520 0.83490442 0.14809831 0.71753500 H 9.71055606 11.28480310 4.87498467 0.25938160 -0.19941281 -0.26474021 Ni -0.01433686 0.02725249 6.46182119 0.42904582 0.49273354 -0.37722075 Ni 1.61772519 1.63951703 6.48223715 -0.81867914 1.06664849 0.10732067 H 1.64382256 -0.01315243 8.07647447 -0.06129546 0.08593362 -0.30989157 H -0.00392592 1.62169176 8.03666829 -0.14811327 -0.14331435 -0.21454197 H 3.21095164 0.01886850 6.48310852 -0.14741274 0.08743621 -0.24038829 H 4.81570509 1.63057356 6.40263086 0.07869444 0.03769124 -0.05976350 H 4.81082683 0.02801195 8.05610330 0.05498033 0.02631093 0.34338511 Ni 3.25441223 1.62592498 8.08884707 -0.82792717 -1.36802691 -1.14507491 H 6.46018865 -0.01197482 6.45959920 0.12722840 -0.03648079 -0.31371082 Ni 8.05505158 1.59602131 6.46161859 1.06504010 -2.56605921 -0.38906764 H 8.10652737 0.04038154 8.08911043 -0.19865421 0.18782157 0.16918437 Ni 6.47142111 1.60959171 8.07793081 -1.27911617 -1.86598417 -0.50145482 H 9.64325414 0.01325139 6.43782236 0.24393520 0.04696502 -0.06042231 Ni 11.28374112 1.62144077 6.49274286 0.58051575 -0.16117288 -0.85286757 Ni 11.29131550 -0.03158527 8.06066585 -0.60758999 0.32563033 -0.06457975 Ni 9.66237138 1.61837393 8.05213686 1.52084092 -2.60342829 1.18020160 H 0.00999936 3.21796914 6.48087596 -0.18175106 0.14872972 0.04654331 H 1.61954690 4.83439138 6.46412771 -0.25029379 0.53281111 0.32897267 H 1.64338309 3.17808369 8.11219908 0.11942826 -0.08927713 0.10805999 Ni 0.00180219 4.82057896 8.08336080 1.07641557 -0.06922339 0.29037661 H 3.27892856 3.24553884 6.45653110 0.11589085 -0.15574872 0.34025977 Ni 4.83610487 4.82029623 6.46649305 -1.39937718 0.62437023 -2.45725895 Ni 4.83873654 3.23344279 8.05260266 -0.75417419 -0.48322643 0.67403903 Ni 3.21343935 4.87430658 8.09769802 -0.79794947 -0.00859704 1.41526705 Ni 6.40773448 3.24807186 6.49297970 0.04814051 0.19709817 -2.78536596 H 8.05694569 4.85553588 6.46053881 0.19864144 -0.11397831 0.25031162 Ni 8.07846966 3.25354161 8.10324035 -1.20170028 2.10016390 0.35890257 Ni 6.43042073 4.81718026 8.10581305 0.22035103 0.86344406 2.07758383 Ni 9.71860621 3.20005413 6.47471804 1.28563762 1.42552294 -1.12514922 H 11.33110460 4.82183782 6.46237943 -0.13542914 0.05622373 -0.04445794 H 11.30128183 3.22981747 8.07695687 -0.20894797 0.03623631 -0.02882713 Ni 9.69998270 4.87638106 8.10710651 0.39779359 0.64163056 -0.02126346 Ni 0.02713488 6.46448901 6.43004899 0.82115810 0.94917641 0.47520495 H 1.62069593 8.10616060 6.47988886 0.02709054 0.13587896 -0.19355359 Ni 1.64087935 6.49182823 8.06331089 -0.49802305 0.92072705 1.14342785 H 0.03027496 8.08447439 8.09368993 0.11312641 -0.01842697 -0.10320552 Ni 3.20055779 6.48805253 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0.21600698 -1.31605707 0.90863787 Ni 0.00105762 11.26006135 8.09106631 -0.28051724 0.16420661 1.24849731 Ni 3.25360707 9.68109614 6.46337886 1.66620740 -0.38766916 0.30160306 H 4.83868329 11.32521989 6.46287361 0.19308545 0.02534274 -0.11555693 H 4.79351411 9.66149928 8.12191161 0.24352524 -0.17233992 0.05575419 H 3.21462228 11.30795249 8.07728501 -0.29018098 -0.01285824 -0.33461838 Ni 6.48141026 9.67355828 6.44890034 -1.66873835 1.66174430 1.54892052 H 8.13549042 11.30840039 6.43038049 -0.03966138 0.02378351 -0.13758519 H 8.07601120 9.69915392 8.06204353 -0.01569191 -0.18778954 0.06317751 H 6.51693524 11.31382321 8.08946008 0.07275275 0.08924526 0.23363772 Ni 9.71100144 9.68812764 6.44221687 -0.10129089 2.17101754 0.43976317 H 11.26807458 11.31565507 6.45138628 -0.01877507 -0.19221085 0.21047204 Ni 11.29102010 9.70579419 8.05088554 0.63012562 0.06746440 0.65540394 Ni 9.66912857 11.28024235 8.10072612 -0.41757402 -0.43766555 0.50812341 H -0.00794090 -0.00195368 9.67026406 0.04489601 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