500 Lattice="16.17752734671846 0.0 0.0 0.0 16.17752734671846 0.0 0.0 0.0 16.17752734671846" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-1209.8120886508614 pbc="F F F" Ni 0.01691379 0.00161751 -0.01494838 28 1.14238507 1.84531917 1.66058819 H 1.60272379 1.64558080 -0.01760804 1 -0.63375524 -0.63470629 0.52706899 Ni 1.64322254 -0.02279308 1.64899756 28 0.58184842 1.31430280 -1.79864657 H -0.00683704 1.59752886 1.60322382 1 0.70251104 -0.85489336 0.56566062 H 3.26096964 0.01521404 0.01730930 1 0.40870797 0.28755141 0.66503434 Ni 4.84955027 1.61417869 0.01720299 28 -1.70476477 0.93375340 0.17481649 Ni 4.87267159 -0.02686247 1.64240990 28 -1.04777191 0.74307102 1.13374053 H 3.19530923 1.59003951 1.60762458 1 0.08096337 -0.30026412 0.49393233 Ni 6.44357334 0.01701050 -0.02658070 28 1.75525378 0.29454205 0.34121869 H 8.10879980 1.64207495 -0.00449053 1 0.07124390 -0.88218845 0.63859939 H 8.06740977 -0.03047022 1.64424546 1 0.37269894 0.42888090 -0.67399533 Ni 6.47972732 1.56407514 1.64831870 28 1.68505307 0.35096247 1.98144196 Ni 9.71966263 0.02501095 0.00025634 28 -0.98852237 1.41625149 0.79414636 H 11.29247697 1.60977484 -0.01963575 1 -0.45199156 -0.76078777 0.52616734 Ni 11.33272740 -0.00726076 1.58918902 28 2.45431274 0.65491151 -0.68230377 Ni 9.69077077 1.59703505 1.59397833 28 -0.93536979 0.84578881 -1.43849396 H 12.91447154 0.01707558 0.02774708 1 0.64385316 0.41675006 0.98738900 Ni 14.55989627 1.59790056 0.01849416 28 -1.45422651 -0.57708434 0.87973809 Ni 14.54882419 0.01310264 1.64620809 28 -2.90158647 2.39767610 0.98042482 H 12.95366037 1.61413856 1.63659693 1 0.97886527 -0.10864310 -0.43822075 H -0.03076116 3.24383935 0.01031739 1 0.69219668 0.38783099 0.26964607 Ni 1.62032756 4.82458998 -0.01280247 28 0.83274716 -0.46737723 1.05371503 Ni 1.60963572 3.24552489 1.59277529 28 0.22131967 -1.00089138 -1.99915553 H -0.02633572 4.86727374 1.57244506 1 1.09577492 0.06197634 -0.31611488 H 3.24791162 3.20149489 -0.03197457 1 -0.03361992 -0.01706910 0.44518828 H 4.83000035 4.86144404 0.01766285 1 0.39843971 0.24890907 0.58266481 Ni 4.86774057 3.23156866 1.64752347 28 -0.71222581 0.27819222 0.41828993 H 3.22501386 4.85816621 1.65820195 1 -0.82091969 -0.39128982 0.17568930 H 6.46211494 3.26363175 -0.01983497 1 -0.16684708 -0.30939786 0.74676076 Ni 8.10734043 4.83170516 0.01017330 28 0.83736669 -1.37270083 -1.12266718 Ni 8.09035882 3.25713043 1.60000037 28 -0.13178558 -1.51849986 -0.69844361 Ni 6.47589352 4.83211251 1.61523663 28 -1.99142597 -0.74309189 0.83885699 H 9.70165406 3.23412534 -0.02792943 1 -0.12825266 0.32057369 0.22452425 Ni 11.35090209 4.83526532 -0.00847975 28 -2.03430500 -0.78764817 1.29398669 H 11.33552342 3.24549586 1.62128413 1 0.60853325 -0.04948483 -0.25259658 H 9.71226188 4.88133265 1.61519583 1 -0.45170020 0.03413551 -0.95113330 Ni 12.95300471 3.26538662 0.02894422 28 -0.65533571 -1.32967478 0.50271289 H 14.56698792 4.84738768 0.02482542 1 -0.87154705 -0.48095796 0.36446511 Ni 14.57143538 3.20673024 1.63105818 28 0.53342048 -1.27782998 -0.18779241 Ni 12.94875741 4.86894026 1.60153409 28 -0.81986867 0.74372109 0.10378299 Ni -0.02556120 6.46811687 0.04238621 28 0.35907988 -0.06265133 0.35285814 H 1.62901152 8.11607987 0.01855554 1 -0.54508096 0.12071701 0.62432243 Ni 1.62188613 6.45217057 1.58164120 28 0.94476953 -0.78485248 0.04842421 Ni 0.00157445 8.08110289 1.67342539 28 -0.93527327 -0.64427768 -0.51991972 H 3.21067370 6.47551634 -0.00867694 1 -0.48218863 -0.26118509 0.54681245 H 4.85040903 8.06890329 0.00805159 1 0.32176724 0.36798034 0.83957618 Ni 4.88019285 6.46192687 1.63329980 28 -1.94849569 -0.99799375 1.35594432 Ni 3.25477119 8.06108387 1.66208785 28 0.66003095 -0.46626783 -0.09494418 Ni 6.45412032 6.45446668 -0.00831349 28 -1.23291004 0.29218082 -1.86712029 Ni 8.07990236 8.09925830 0.03050889 28 -0.17385273 0.48174140 -1.70433449 Ni 8.11684751 6.43317325 1.62953846 28 0.70579617 0.53875499 2.03324271 Ni 6.45599098 8.05949133 1.64264649 28 0.09508499 1.05020859 2.61273094 Ni 9.72104714 6.41545424 -0.01425856 28 1.75041298 0.36442382 0.20954593 H 11.37055736 8.14444133 -0.01332180 1 0.22203583 0.28011937 0.05834413 H 11.33173926 6.52245717 1.60903846 1 0.44115462 -0.16652429 -0.98445378 Ni 9.68716053 8.08464294 1.62676364 28 0.27827022 -1.25493228 0.77738910 Ni 12.94307728 6.45808505 -0.00936163 28 0.31132916 0.92795521 0.50219956 H 14.53166815 8.05605836 -0.02344860 1 -0.79560089 -0.04781802 -0.03633472 H 14.52852634 6.47932029 1.64645761 1 -0.59914986 -0.14129576 0.39503694 Ni 12.96910767 8.08754158 1.59617692 28 0.61435280 -0.87052366 -1.42788134 Ni 0.01044939 9.73680550 -0.03066543 28 -0.27333137 -1.34157011 -0.68838906 Ni 1.58543153 11.32781507 0.02784352 28 1.47094433 1.42389190 -0.54366991 Ni 1.61078075 9.73492095 1.60578684 28 2.01846967 0.08387957 1.14645593 Ni 0.01515572 11.30837796 1.61980839 28 -0.40610400 2.38514809 2.02969495 Ni 3.25008719 9.73288264 0.01877142 28 -0.28872020 -0.76562651 -0.91823043 Ni 4.84040704 11.35015480 -0.03028416 28 -0.04452721 0.09340060 -0.23628115 Ni 4.81374658 9.71099332 1.60292325 28 0.21748616 1.07132198 2.78865931 H 3.25029298 11.33596141 1.64220436 1 0.50022519 -0.01414917 -1.29052941 Ni 6.45482806 9.73164864 0.00658552 28 0.75115700 0.74599515 0.39396186 H 8.08426260 11.37016812 -0.00622579 1 -0.00959870 0.23213759 -0.24174412 H 8.06930398 9.73830557 1.63285496 1 0.12047748 -0.48914641 -0.69776239 H 6.46197736 11.30683427 1.62669280 1 -0.93061010 0.37690521 -0.75358906 Ni 9.70671628 9.69854888 -0.00537984 28 0.30717733 1.80418211 0.47622900 H 11.29754932 11.35235542 -0.01445899 1 0.01718652 0.28165997 0.12588933 Ni 11.30469060 9.71717984 1.64284835 28 -0.48260925 0.94666535 -2.45456078 H 9.73160205 11.27870214 1.59379384 1 0.36543202 -0.08523640 -0.43453203 Ni 12.92567919 9.68337177 0.02081538 28 0.26259444 0.11996569 -0.50686488 H 14.55329563 11.32666362 -0.02805310 1 -0.67377421 0.42187793 0.39874925 H 14.55470837 9.75354677 1.56824787 1 -0.50776471 0.14836290 0.24160037 Ni 12.97295787 11.33503701 1.60032749 28 0.65239664 -0.31532150 -0.63520521 Ni -0.01951137 12.95552225 0.00923225 28 1.13385121 0.48229838 0.50151588 H 1.60467879 14.54794263 -0.02507926 1 -0.67542903 -0.73512317 0.57604699 H 1.64626459 12.93294742 1.63216290 1 -0.93018266 0.45167762 -0.66555543 Ni -0.01221003 14.58706328 1.59478311 28 1.75552894 -1.95390750 0.59661935 Ni 3.22394904 12.94435545 -0.00742558 28 -1.54264136 0.57765155 1.30276601 Ni 4.88260079 14.58751302 0.03000206 28 -0.05454699 0.13199159 1.37615468 Ni 4.86354925 12.91716695 1.60445877 28 -0.83173656 -0.99277963 1.77452463 H 3.23392904 14.55964840 1.63265091 1 0.57480502 -0.45062227 0.02754060 Ni 6.45963215 12.96523890 -0.00924527 28 2.33903540 -0.22388590 1.45439178 H 8.06330191 14.55564016 -0.01988152 1 0.27405866 -0.71544883 0.21349535 H 8.10727548 12.94103874 1.65101209 1 0.06017022 0.79109601 -0.13948320 H 6.48565682 14.53111771 1.57982734 1 -0.89789360 -0.82205849 0.05752586 Ni 9.69781437 12.94079945 -0.00291926 28 -1.37960927 -1.91538915 0.88463139 Ni 11.32018668 14.54713113 -0.02605081 28 0.52563505 0.83003996 0.41010976 Ni 11.33176197 12.93825618 1.61735580 28 -0.23582003 -0.57643243 0.77535553 Ni 9.68157801 14.59012428 1.65498037 28 -1.14337821 -0.51922355 -0.24335228 Ni 12.91398826 12.95521799 0.02270000 28 0.53696651 -0.14937948 -0.65199525 H 14.55830745 14.56852222 0.01073575 1 -0.33448102 -0.66231915 0.44790678 Ni 14.56266931 12.91390333 1.61701131 28 -0.47663160 1.23829980 -0.21040730 H 12.91641044 14.58665960 1.63319846 1 0.04822151 -0.66937353 0.29405431 Ni 0.01665813 0.02272855 3.21716728 28 0.56831219 1.44897133 0.29355104 Ni 1.60206614 1.63635048 3.23491228 28 -0.46309339 -0.12459066 0.49235818 H 1.61393713 0.03141954 4.87355973 1 0.20633990 0.36155404 -0.93913995 H -0.03023260 1.62658639 4.85428701 1 0.08332546 -0.10414634 -1.14993693 Ni 3.21451660 -0.01493481 3.20118787 28 0.44730299 0.72122289 0.22951514 H 4.87253026 1.58372409 3.21958393 1 -0.52182685 -0.23828607 -0.00508564 Ni 4.84446530 -0.00815649 4.86975965 28 0.43262728 1.88780129 -0.32328675 Ni 3.23076244 1.59503124 4.88028385 28 -0.73985765 0.09030522 2.20305998 H 6.48385332 0.00192219 3.21170285 1 -0.88156935 0.18436519 -0.42567409 H 8.11512710 1.63968845 3.23206767 1 0.54559288 -0.18560480 -0.76416816 H 8.11321447 0.01758168 4.84929084 1 0.45168100 0.13241034 0.70795670 H 6.46954861 1.61738841 4.85914617 1 -0.73581037 -0.49346899 0.67527337 Ni 9.69304996 0.01045250 3.25805919 28 -1.58928318 -0.42604190 0.37500329 Ni 11.32724268 1.62830210 3.20936192 28 2.65769044 -0.82069178 -0.42932655 H 11.37043761 -0.01485669 4.84236565 1 -0.23573842 0.08571240 0.42299194 Ni 9.71943409 1.58823026 4.87795023 28 -0.68050983 -0.73851380 -0.23260171 H 12.96186929 -0.02813282 3.24846390 1 0.19335033 0.03907753 -1.03552959 H 14.58344242 1.58202946 3.25950881 1 -0.07309159 -0.11731162 -1.06050846 H 14.56401701 0.02773071 4.87072880 1 -0.46761975 0.60902647 1.20939307 H 12.96198859 1.65328317 4.87548686 1 0.47016174 -0.19187731 0.73902428 Ni 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0.12300013 Ni 11.30386248 3.26030195 4.85756146 28 3.33194102 -0.24406488 0.50483908 Ni 9.72385263 4.87470372 4.86175752 28 -0.63262683 1.02488311 -1.18244182 Ni 12.94984093 3.26409572 3.21229845 28 -0.75945455 -0.92366649 0.65178613 Ni 14.57069627 4.82987030 3.21114596 28 0.87098488 0.43073075 0.86156411 H 14.54743016 3.25473115 4.90817322 1 -0.02044506 -0.41120092 0.07518385 H 12.94709607 4.84937675 4.87985957 1 0.21837924 0.01278203 -0.36404100 H -0.01142955 6.47326539 3.24787544 1 0.92778026 0.12697667 -0.15644707 Ni 1.63188249 8.06128784 3.26703619 28 0.76924314 -0.75605381 1.30318067 Ni 1.59153560 6.46444434 4.87061572 28 0.17461976 -0.71223618 0.80486116 H -0.02298083 8.07464425 4.88726779 1 1.20547185 0.20783947 0.03916577 H 3.22836894 6.45362015 3.20460138 1 -0.81607651 0.07454203 -0.38530813 H 4.87920747 8.06949781 3.23024649 1 0.36264596 0.41112539 -0.19067036 H 4.82961141 6.49373247 4.82231749 1 0.69253513 0.48598283 0.50314309 H 3.21557942 8.10853813 4.82456781 1 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1.63943883 11.31700229 3.21804349 1 -1.05239809 -0.30510742 0.51037307 Ni 1.61869044 9.67460910 4.82095472 28 1.92288840 0.89825814 1.11492107 Ni 0.00145344 11.33005088 4.86524727 28 0.63731201 0.11790251 -0.26143278 H 3.24492338 9.68242548 3.20106059 1 0.06407038 -0.44722574 0.05312857 H 4.86912338 11.32479163 3.27739351 1 0.81002599 -0.05091106 0.30041267 Ni 4.88257520 9.68161862 4.83673028 28 -1.92433421 0.65929015 -0.82863326 H 3.23120418 11.30538950 4.83907378 1 -0.28753207 -0.34432260 0.09565521 H 6.49387944 9.72529155 3.25606483 1 -0.76958044 -0.09310195 0.83421713 H 8.08837805 11.30792697 3.21320727 1 -0.47535608 0.39639939 0.72913244 H 8.05816957 9.68092647 4.89572565 1 -0.42194693 -0.20412046 -0.19335324 Ni 6.45779423 11.32276314 4.83989746 28 -0.17537923 -0.72812869 0.92237266 Ni 9.72027184 9.68077984 3.25025120 28 -2.69009274 1.95805853 0.91077771 Ni 11.32012241 11.31303850 3.23766206 28 -1.52549924 2.22015270 2.07468270 H 11.31358357 9.70636351 4.85115785 1 -0.01491904 0.12488565 -0.01474493 H 9.64310685 11.32017357 4.89638939 1 -0.01242862 0.58444109 0.26290247 Ni 12.96170949 9.72035289 3.26383326 28 1.06101499 -0.38594265 0.72221593 Ni 14.57109035 11.34451989 3.24230758 28 0.30988235 0.16250218 0.96304818 H 14.53311239 9.71133560 4.80188787 1 -0.25686759 -0.10409839 -0.32570315 Ni 12.93041545 11.29462967 4.88352158 28 0.94573047 1.11876837 -0.12906286 H 0.02616484 12.91633934 3.18381217 1 0.50460477 0.71104863 0.10200978 Ni 1.62820498 14.57088415 3.23402832 28 1.63926728 -1.82626546 -0.98342224 Ni 1.64228280 12.94387891 4.87491593 28 2.43154196 -1.75255522 -0.90941066 Ni 0.03180853 14.54883062 4.85093215 28 -0.94488588 0.08714819 -0.86556441 H 3.22257909 12.97421094 3.23731477 1 -0.14605554 0.92574832 0.06375775 Ni 4.87374316 14.54827568 3.22757874 28 -1.57788659 -0.44145881 -0.00798709 H 4.86370903 12.91142463 4.84391057 1 1.06654430 0.67600658 -0.26757611 H 3.22810747 14.55642250 4.85212457 1 -0.38509151 -0.15749320 -0.00740494 Ni 6.44231463 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