Model name: model_name=EAM_Dynamo_StollerTammBeland_2016_Ni__MO_103383163946_000 a1: a1=[1, 0, 0] a2: a2=[0, 1, 0] a3: a3=[0, 0, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973 cohesive_energy=4.423116541956746 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=90.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.0875880888029797e-19, 2.9355881376464996e-19, 3.5740234827628197e-19, 4.0902127507049393e-19, 4.52201537533428e-19, 4.89054804468696e-19, 5.20906075952616e-19, 5.486605817833979e-19, 5.72968805674446e-19, 5.94316207145862e-19, 6.13079297706636e-19, 6.295592865639599e-19, 6.43996500212934e-19, 6.56592812909442e-19, 6.67513248846786e-19, 6.76902003922026e-19, 6.848792413827119e-19, 6.915523070633219e-19, 6.970093206787259e-19, 7.01331993237258e-19, 7.04594024864082e-19, 7.0685629827129e-19, 7.081764918177059e-19, 7.086058751556179e-19, 7.081444482850259e-19, 7.06654424015406e-19, 7.039547563871159e-19, 6.998323559078339e-19, 6.94027669962852e-19, 6.86234682815076e-19, 6.7608489383868595e-19, 6.631248870462599e-19, 6.4371451712535e-19, 6.147455614059959e-19, 5.76067415284602e-19, 5.28183162224244e-19, 4.726661396795099e-19, 4.1164724257362e-19, 3.44735539807878e-19, 2.7046343758553995e-19, 1.8648534931443e-19, 8.89978678830954e-20, -2.83203946179108e-20, -2.0546633589742796e-19, -5.0764165559973e-19, -9.53452110540132e-19, -1.5614637235534257e-18, -2.35396597597182e-18, -3.4172825426586e-18, -4.9578554850813e-18, -7.337248004234699e-18, -1.113403812618888e-17, -1.78471261791162e-17, -3.41795545684488e-17] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: -0.0272313164 eV ======================================== theta = 0.0 ======================================== Energy: 0.017993108873355503 Energy: 0.01848706402023427 Energy: 0.9481756953873643 Energy: 0.155267052007452 Energy: 0.0184870640208958 Energy: 1.2721131279061253 Energy: 0.155267052007452 Energy: 1.2721131279100206 Energy: 0.9481756953880258 Energy: 0.15526705200811353 Energy: 0.017993108873355503 Energy: 0.01848706402023427 Energy: 0.155267052007452 Energy: 1.2721131279106457 Energy: 0.01848706402023427 Energy: 1.272113127904839 minimum gb energy = 0.017993108873355503 eV minimum distance = 2.47948538535319 Angstroms sigma value = 1 ======================================== theta = 14.250032697803595 ======================================== Energy: 1.789898247252619 Energy: 1.1561462500694075 Energy: 1.2323370436974348 Energy: 1.2284941428848644 Energy: 1.2122388845395937 Energy: 1.280026328376856 Energy: 1.18371775839763 Energy: 1.2800263283776583 Energy: 1.2307929055585627 Energy: 1.2289151879973343 Energy: 1.1822911915333534 Energy: 1.2289151879989388 Energy: 1.186939901328126 Energy: 1.1820103885417719 Energy: 1.1827307405048229 Energy: 1.182010388539365 Energy: 1.667297025590143 Energy: 1.182234945791129 Energy: 1.181809629413536 Energy: 1.182234945791129 Energy: 1.2641448136156954 Energy: 1.2573728443824082 Energy: 1.182544146232196 Energy: 1.2573728443832104 Energy: 1.2559168896144113 Energy: 1.3126321625176722 Energy: 1.2539279560911927 Energy: 1.312632162514463 Energy: 1.2546884965325757 Energy: 1.3127991600671882 Energy: 1.2976410076184792 Energy: 1.312799160066386 Energy: 1.280500020527705 Energy: 1.408518295793373 Energy: 1.280213431928042 Energy: 1.4085182957925708 Energy: 1.295803172299263 Energy: 1.370449669842105 Energy: 1.2807344239369531 Energy: 1.3704496698429072 Energy: 1.2762877596347502 Energy: 1.408349181817277 Energy: 1.2804622720748073 Energy: 1.4083491818180793 Energy: 1.255158220895322 Energy: 1.4062190509962005 Energy: 1.3017243145607686 Energy: 1.4062190509978052 Energy: 1.279046979235991 Energy: 1.3121763029536095 Energy: 1.2111426376298535 Energy: 1.3121763029568185 Energy: 1.2640162684808742 Energy: 1.3116215457645655 Energy: 1.2568354521190737 Energy: 1.3116215457629607 Energy: 1.211901799310863 Energy: 1.1815552729066021 Energy: 1.1819694953962832 Energy: 1.1815552729049976 Energy: 1.225286769418263 Energy: 1.1821298980124453 Energy: 1.1838626181791687 Energy: 1.182129898011643 Energy: 1.2313181740571184 Energy: 1.228247533370646 Energy: 1.1535561454520864 Energy: 1.2282475333698437 Energy: 1.1844244128223305 Energy: 1.1867440421974007 Energy: 1.2128810727159265 Energy: 1.186744042194994 Energy: 1.1817751617249206 Energy: 1.2287934241912886 Energy: 1.23055936179241 Energy: 1.2287934241920908 Energy: 1.2636664276541203 Energy: 1.1863523144547616 Energy: 1.1865411368082115 Energy: 1.1863523144539596 Energy: 1.1825591572939045 Energy: 1.181838499569782 Energy: 1.26215672146798 Energy: 1.1818384995689797 Energy: 1.18317962951136 Energy: 1.1829946536827978 Energy: 1.2645814426844548 Energy: 1.182994653680391 Energy: 1.2541354869626449 Energy: 1.3119076474184725 Energy: 1.2533034565908383 Energy: 1.3119076474184725 Energy: 1.297888266304043 Energy: 1.3119863853050324 Energy: 1.2555616870588802 Energy: 1.3119863853026257 Energy: 1.280058639982064 Energy: 1.4059955457816142 Energy: 1.2800284602785434 Energy: 1.4059955457832187 Energy: 1.2825669747507142 Energy: 1.4049082020924384 Energy: 1.2981113810659968 Energy: 1.404908202094043 Energy: 1.2801437969351 Energy: 1.405388450132691 Energy: 1.2761464887435008 Energy: 1.4053884501342957 Energy: 1.2986983187454786 Energy: 1.4086939869624817 Energy: 1.2551336519965515 Energy: 1.4086939869640862 Energy: 1.2106371498568136 Energy: 1.3121574830090688 Energy: 1.2800382059399082 Energy: 1.3121574830090688 Energy: 1.2566427808124918 Energy: 1.3122039243499422 Energy: 1.2640736192693487 Energy: 1.3122039243499422 Energy: 1.180995874550206 Energy: 1.1814524839477354 Energy: 1.2116527888587039 Energy: 1.1814524839501421 Energy: 1.1828081877262564 Energy: 1.1820203392020192 Energy: 1.226026177858292 Energy: 1.1820203392036237 Energy: 1.1531013413118187 Energy: 1.2282357076270143 Energy: 1.2327181952903006 Energy: 1.2282357076278165 minimum gb energy = 1.1531013413118187 eV minimum distance = 2.20334665907854 Angstroms sigma value = 1 ======================================== theta = 16.26020470831196 ======================================== Energy: 2.021119671742146 Energy: 1.2100492616554797 Energy: 1.2922669357661123 Energy: 1.2912800327935758 Energy: 1.280753874058643 Energy: 1.3436416793146138 Energy: 1.2421581958157888 Energy: 1.343641679321017 Energy: 1.2915773984933674 Energy: 1.2920880573638314 Energy: 1.243285990708658 Energy: 1.2920880573592577 Energy: 1.2494418956806772 Energy: 1.2417280470089982 Energy: 1.242172253400358 Energy: 1.2417280470044243 Energy: 1.2416628187756589 Energy: 1.2421575358658365 Energy: 1.2425186129389831 Energy: 1.2421575358621775 Energy: 1.3395208847703788 Energy: 1.3290307182911962 Energy: 1.2417048058416638 Energy: 1.3290307182911962 Energy: 1.3308906556521318 Energy: 1.394462414414222 Energy: 1.3273597951337843 Energy: 1.3944624144169662 Energy: 1.3294232408983613 Energy: 1.3968612078974998 Energy: 1.3722700951317814 Energy: 1.3968612078947555 Energy: 1.3278883652514462 Energy: 1.4872801062239303 Energy: 1.3462692675278038 Energy: 1.4872801062221006 Energy: 1.3737502552141845 Energy: 1.455807571162207 Energy: 1.3286141261221345 Energy: 1.4558075711631215 Energy: 1.279568419059314 Energy: 1.3949317239945225 Energy: 1.364957619971338 Energy: 1.3949317239936077 Energy: 1.328646948771902 Energy: 1.3950294501488862 Energy: 1.3392822295216593 Energy: 1.3950294501452272 Energy: 1.2429427280092455 Energy: 1.2416948199908873 Energy: 1.2797808007618003 Energy: 1.241694819984484 Energy: 1.2427506457691282 Energy: 1.2420396964662 Energy: 1.2894244360279272 Energy: 1.2420396964662 Energy: 1.2051117111450718 Energy: 1.2910815278455434 Energy: 1.2952231184957819 Energy: 1.2910815278492027 Energy: 1.2802950224265628 Energy: 1.2489898388864658 Energy: 1.2422180421937656 Energy: 1.248989838892869 Energy: 1.2915542269480484 Energy: 1.2922828173702472 Energy: 1.2606684832474513 Energy: 1.292282817372035 Energy: 1.2477872290147929 Energy: 1.2483467107530997 Energy: 1.3803373013179845 Energy: 1.2483467107540145 Energy: 1.24318780736512 Energy: 1.2425908922708377 Energy: 1.2434543633857107 Energy: 1.242590892269923 Energy: 1.3394636152696375 Energy: 1.243157906393049 Energy: 1.2432239437175832 Energy: 1.2431579063939637 Energy: 1.3276136796263918 Energy: 1.3944854313471189 Energy: 1.3271933587017684 Energy: 1.3944854313480335 Energy: 1.3294035127339066 Energy: 1.3947817820341744 Energy: 1.3730473981278106 Energy: 1.3947817820378334 Energy: 1.3280928476268066 Energy: 1.4882480507657934 Energy: 1.345704207946313 Energy: 1.4882480507676228 Energy: 1.3734550579967508 Energy: 1.4872165511243547 Energy: 1.3289476077180593 Energy: 1.4872165511362465 Energy: 1.2798556483354977 Energy: 1.3950930971576854 Energy: 1.3666634423412982 Energy: 1.3950930971531115 Energy: 1.3289770061132415 Energy: 1.3950489000556292 Energy: 1.3398448633573687 Energy: 1.3950489000538 Energy: 1.241672252124782 Energy: 1.2414366801588024 Energy: 1.2834240369391865 Energy: 1.2414366801588024 Energy: 1.2425306807630545 Energy: 1.2417532749652145 Energy: 1.289717213729962 Energy: 1.241753274970661 Energy: 1.2052143686591206 Energy: 1.2917377587174566 Energy: 1.2972079889201555 Energy: 1.2917377587174566 minimum gb energy = 1.2051117111450718 eV minimum distance = 2.20180147140951 Angstroms sigma value = 25 ======================================== theta = 18.924644416051233 ======================================== Energy: 2.048356407508758 Energy: 1.3202427995538317 Energy: 1.3746958202797552 Energy: 1.3736430767972445 Energy: 1.3422604523920254 Energy: 1.4271351237369048 Energy: 1.3561518398500676 Energy: 1.4271351237400947 Energy: 1.3777372471632163 Energy: 1.376783313445071 Energy: 1.292508600399948 Energy: 1.376783313445071 Energy: 1.3343521974253447 Energy: 1.428876062521594 Energy: 1.329259255880514 Energy: 1.4288760625226575 Energy: 1.290702588598311 Energy: 1.3286577942640092 Energy: 1.3288411534410198 Energy: 1.3286577942650724 Energy: 1.445718017413156 Energy: 1.32910195788263 Energy: 1.3277745745674456 Energy: 1.3291019578857717 Energy: 1.4051775581519537 Energy: 1.5100776236811275 Energy: 1.4246198853634005 Energy: 1.5100776236843176 Energy: 1.409226897018948 Energy: 1.510862566370812 Energy: 1.4817173735640368 Energy: 1.5108625663697486 Energy: 1.4096151987421337 Energy: 1.53838561353637 Energy: 1.343428692283383 Energy: 1.5383856135374336 Energy: 1.4426737190205072 Energy: 1.5403321677583661 Energy: 1.3691603786948625 Energy: 1.540332167755176 Energy: 1.3153058336224341 Energy: 1.3884592157202778 Energy: 1.3875823070902646 Energy: 1.3884592157160243 Energy: 1.2977552153099823 Energy: 1.3697923786179125 Energy: 1.3887308798767775 Energy: 1.3697923786147226 Energy: 1.2730583507030855 Energy: 1.2727402910602208 Energy: 1.2601584383416482 Energy: 1.2727402910570307 Energy: 1.2728744673282073 Energy: 1.2576492262391499 Energy: 1.3624815770949839 Energy: 1.2576492262391499 Energy: 1.292075391445691 Energy: 1.435647510952345 Energy: 1.4388533688544511 Energy: 1.435647510952345 Energy: 1.4561781693035076 Energy: 1.370382019095994 Energy: 1.4410615936211428 Energy: 1.3703820190928038 Energy: 1.332913145424688 Energy: 1.3406704215951721 Energy: 1.2910168513686422 Energy: 1.3406704215983622 Energy: 1.3328360822558518 Energy: 1.3414561881087281 Energy: 1.4267286942060093 Energy: 1.3414561881097917 Energy: 1.4247513511949808 Energy: 1.4909423351025801 Energy: 1.4329910305317366 Energy: 1.4909423351036435 Energy: 1.4800712158012994 Energy: 1.4914858307617151 Energy: 1.4204890917535145 Energy: 1.491485830764905 Energy: 1.3427128536230828 Energy: 1.512790664718981 Energy: 1.4958830850358105 Energy: 1.5127906647200446 Energy: 1.3430376931551107 Energy: 1.5186636873855166 Energy: 1.4465435970257796 Energy: 1.5186636873833896 Energy: 1.3261600203339414 Energy: 1.3260103034378898 Energy: 1.3146856954918404 Energy: 1.3260103034368265 Energy: 1.326998502019533 Energy: 1.3261722510517313 Energy: 1.315223605192963 Energy: 1.3261722510538583 Energy: 1.3165590432924272 Energy: 1.373390520854411 Energy: 1.3756551073525918 Energy: 1.3733905208576014 minimum gb energy = 1.2576492262391499 eV minimum distance = 2.1936874719844 Angstroms sigma value = 9 ======================================== theta = 22.619864948040426 ======================================== Energy: 1.8024537449161095 Energy: 1.3280254772133924 Energy: 1.4368611758064276 Energy: 1.4359475189314628 Energy: 1.5131247429672423 Energy: 1.480287600302951 Energy: 1.3927091012322317 Energy: 1.4802876003016823 Energy: 1.4362996238623527 Energy: 1.4366637281323644 Energy: 1.434585496735225 Energy: 1.4366637281323644 Energy: 1.4412701162717758 Energy: 1.4822481888816565 Energy: 1.3928370720953869 Energy: 1.4822481888816565 Energy: 1.4377318397835606 Energy: 1.3918305573473038 Energy: 1.3947504716339638 Energy: 1.3918305573473038 Energy: 1.5461993980147222 Energy: 1.3934446046550795 Energy: 1.3921564233869854 Energy: 1.3934446046538114 Energy: 1.470151647615865 Energy: 1.5836242087836407 Energy: 1.439940165667 Energy: 1.5836242087811039 Energy: 1.3940026671697432 Energy: 1.5854908747626226 Energy: 1.5454377184068746 Energy: 1.5854908747626226 Energy: 1.3914846135455488 Energy: 1.3923730445937053 Energy: 1.3121049789136627 Energy: 1.3923730445962423 Energy: 1.3925542959765356 Energy: 1.39221138015535 Energy: 1.3117669992019636 Energy: 1.39221138015535 Energy: 1.3123683691417345 Energy: 1.436844596690675 Energy: 1.4368009581911005 Energy: 1.4368445966919436 Energy: 1.5123936384817382 Energy: 1.4027649287462458 Energy: 1.437546126792264 Energy: 1.4027649287462458 Energy: 1.4393402487905966 Energy: 1.4363503862170577 Energy: 1.4343027824996788 Energy: 1.4363503862145208 Energy: 1.4407501791545305 Energy: 1.4027462758386562 Energy: 1.5719048441063546 Energy: 1.4027462758361189 Energy: 1.4380532975814884 Energy: 1.39165471469363 Energy: 1.3916937292138096 Energy: 1.3916547146923612 Energy: 1.5448249105237932 Energy: 1.3922018434795718 Energy: 1.3916075679847162 Energy: 1.392201843478303 Energy: 1.4690716022371022 Energy: 1.5843604259346848 Energy: 1.4399990104971048 Energy: 1.5843604259384905 Energy: 1.4697350944782017 Energy: 1.5821452757145558 Energy: 1.548022389648583 Energy: 1.5821452757158243 Energy: 1.3904013581449362 Energy: 1.3926408002780075 Energy: 1.3116634056128262 Energy: 1.392640800279276 Energy: 1.3925396856177048 Energy: 1.392062421618939 Energy: 1.3114357539527515 Energy: 1.392062421616402 Energy: 1.3122287825590024 Energy: 1.4413483642894689 Energy: 1.4413182100091806 Energy: 1.4413483642907374 minimum gb energy = 1.3114357539527515 eV minimum distance = 2.21261071144478 Angstroms sigma value = 25 ======================================== theta = 28.072486935852957 ======================================== Energy: 1.6197496132498703 Energy: 1.3892000186763067 Energy: 1.5231346141363538 Energy: 1.5222823896748356 Energy: 1.5155344549906782 Energy: 1.4990372370879683 Energy: 1.522784006513852 Energy: 1.499037237089537 Energy: 1.5229216681680784 Energy: 1.5234108253830807 Energy: 1.5191406313709748 Energy: 1.5234108253846494 Energy: 1.526983244627481 Energy: 1.4989079243848111 Energy: 1.4174174677069658 Energy: 1.49890792438638 Energy: 1.492651766571084 Energy: 1.497198996636866 Energy: 1.497222040809181 Energy: 1.497198996635297 Energy: 1.3779755671622627 Energy: 1.4985178538710127 Energy: 1.417425681856966 Energy: 1.4985178538694437 Energy: 1.6104505296082565 Energy: 1.501461838291391 Energy: 1.4946031829692328 Energy: 1.5014618382945286 Energy: 1.3691400949281824 Energy: 1.5932778466593234 Energy: 1.4181736905046478 Energy: 1.5932778466577548 Energy: 1.5231476449848973 Energy: 1.5234526720720571 Energy: 1.673544089414504 Energy: 1.5234526720736261 Energy: 1.5240790876734904 Energy: 1.3782342777426284 Energy: 1.5336603250473688 Energy: 1.3782342777410594 Energy: 1.5198194938325724 Energy: 1.5224268483583245 Energy: 1.5271049458061796 Energy: 1.5224268483598935 Energy: 1.525636097466294 Energy: 1.3785070586926396 Energy: 1.5250381367472936 Energy: 1.3785070586926396 Energy: 1.4180275818137091 Energy: 1.5944776819440483 Energy: 1.492674092366016 Energy: 1.5944776819440483 Energy: 1.4974765467000744 Energy: 1.4995522066938363 Energy: 1.378819472916528 Energy: 1.4995522066938363 Energy: 1.4958064725550262 Energy: 1.4983036879569909 Energy: 1.6068272671567951 Energy: 1.4983036879569909 Energy: 1.4173159471953567 Energy: 1.5958425989491272 Energy: 1.6081289378793109 Energy: 1.5958425989506602 Energy: 1.6732816116249911 Energy: 1.5266159839644504 Energy: 1.5256534484421085 Energy: 1.5266159839660192 minimum gb energy = 1.3691400949281824 eV minimum distance = 2.22002034281005 Angstroms sigma value = 17 ======================================== theta = 31.890791801845708 ======================================== Energy: 2.1260008229834537 Energy: 1.5778305110231325 Energy: 1.6558921749550743 Energy: 1.6562677983867402 Energy: 1.518716704538476 Energy: 1.514492725037335 Energy: 1.6817317215844725 Energy: 1.5144927250391118 Energy: 1.4936779797012723 Energy: 1.4935295179304362 Energy: 1.6543833642547616 Energy: 1.4935295179304362 Energy: 1.4924500052064837 Energy: 1.4919450975151947 Energy: 1.5133624013737237 Energy: 1.4919450975151947 Energy: 1.5818717835460254 Energy: 1.640604870126659 Energy: 1.5588029788167062 Energy: 1.640604870126659 Energy: 1.4924681714347332 Energy: 1.6430618849280472 Energy: 1.579160188854299 Energy: 1.6430618849298242 Energy: 1.5620844754956302 Energy: 1.4912183141463211 Energy: 1.4949851219312138 Energy: 1.4912183141463211 Energy: 1.7410224560969318 Energy: 1.4908409718779672 Energy: 1.491648891283841 Energy: 1.4908409718788553 Energy: 1.663563403252466 Energy: 1.661181784687949 Energy: 1.6555130212047844 Energy: 1.6611817846888373 Energy: 1.657982607828669 Energy: 1.65968693682651 Energy: 1.6740669743611036 Energy: 1.6596869368256215 Energy: 1.5783646507537414 Energy: 1.4892593934571816 Energy: 1.4894226917731102 Energy: 1.48925939345807 Energy: 1.7004898376751612 Energy: 1.4893396336196154 Energy: 1.488817646510018 Energy: 1.4893396336178384 Energy: 1.5639310571418288 Energy: 1.4881316379740526 Energy: 1.4877818763779462 Energy: 1.4881316379722755 Energy: 1.5630421929372629 Energy: 1.51287648283557 Energy: 1.4515863219956333 Energy: 1.5128764828364585 Energy: 1.663586108129054 Energy: 1.6557380532369268 Energy: 1.7439543221804408 Energy: 1.6557380532378156 Energy: 1.653788143140765 Energy: 1.6543330774775127 Energy: 1.741119636710206 Energy: 1.6543330774784009 Energy: 1.6584089902584185 Energy: 1.4916109945302642 Energy: 1.491913745756721 Energy: 1.4916109945311526 Energy: 1.6582815377519982 Energy: 1.4917349842623084 Energy: 1.489818988370689 Energy: 1.491734984263197 Energy: 1.4919172070684459 Energy: 1.6672914796964988 Energy: 1.5811419122282706 Energy: 1.6672914796956102 Energy: 1.5535564199345053 Energy: 1.6432418424020057 Energy: 1.5804434838511827 Energy: 1.643241842402894 Energy: 1.4920307285880765 Energy: 1.5135680791355275 Energy: 1.8362199523657978 Energy: 1.5135680791364161 Energy: 1.4922507296105887 Energy: 1.4937510236687987 Energy: 1.5635023234113472 Energy: 1.4937510236696872 Energy: 1.6536259853929445 Energy: 1.6595576431851138 Energy: 1.6533845614253864 Energy: 1.6595576431851138 Energy: 1.6559462896878738 Energy: 1.6547791558971139 Energy: 1.6531701929268043 Energy: 1.6547791558980025 Energy: 1.4536819775919014 Energy: 1.487654633504779 Energy: 1.6631103664211326 Energy: 1.487654633505667 Energy: 1.488501957964397 Energy: 1.4893372146590103 Energy: 1.5786559697028788 Energy: 1.4893372146598987 Energy: 1.4517914827679013 Energy: 1.5720751282468126 Energy: 1.6076142570144714 Energy: 1.5720751282450358 Energy: 1.489917024837214 Energy: 1.4888565626886092 Energy: 1.5662980521408698 Energy: 1.4888565626877208 Energy: 1.4898273550657286 Energy: 1.5154103752417454 Energy: 1.5641957707917575 Energy: 1.5154103752417454 Energy: 1.7387109261976732 Energy: 1.65408616537411 Energy: 1.6563726460006798 Energy: 1.65408616537411 minimum gb energy = 1.4515863219956333 eV minimum distance = 2.18986227074679 Angstroms sigma value = 53 ======================================== theta = 36.86989764584402 ======================================== Energy: 1.9314080187561251 Energy: 1.3975971906565665 Energy: 1.578915508173066 Energy: 1.5773981440068903 Energy: 1.7478491591777323 Energy: 1.5639145477219183 Energy: 1.5643868559881895 Energy: 1.5639145477198728 Energy: 1.5656722256883933 Energy: 1.5658425038387855 Energy: 1.6085476491979158 Energy: 1.5658425038408308 Energy: 1.5666189146134037 Energy: 1.4837244689156823 Energy: 1.5628533957583925 Energy: 1.4837244689156823 Energy: 1.5883202040014393 Energy: 1.481740459557108 Energy: 1.368486464163776 Energy: 1.481740459557108 Energy: 1.5639187754518442 Energy: 1.483087732558526 Energy: 1.3688977893770917 Energy: 1.483087732562617 Energy: 1.745832597881249 Energy: 1.5636592377867065 Energy: 1.5640690642773476 Energy: 1.5636592377887515 Energy: 1.7462192005676251 Energy: 1.5623171865612118 Energy: 1.5622746874044167 Energy: 1.5623171865632572 Energy: 1.564040452291911 Energy: 1.5657474836662175 Energy: 1.6102952111379223 Energy: 1.565747483664172 Energy: 1.5627406416848122 Energy: 1.5640236092263788 Energy: 1.564390999965498 Energy: 1.5640236092243331 Energy: 1.5900263596105824 Energy: 1.4834050988533614 Energy: 1.3690579244537997 Energy: 1.4834050988574523 Energy: 1.565991897909401 Energy: 1.4813719988990506 Energy: 1.3685220224428813 Energy: 1.4813719988990506 Energy: 1.7480452513909202 Energy: 1.5635461238778674 Energy: 1.5611044663838862 Energy: 1.5635461238778674 minimum gb energy = 1.368486464163776 eV minimum distance = 2.2240808837973 Angstroms sigma value = 9 ======================================== theta = 41.112090439166934 ======================================== Energy: 1.8851280017152705 Energy: 1.6433425308699658 Energy: 1.7434498829123994 Energy: 1.7401789146970514 Energy: 1.4906246239993264 Energy: 1.478533105625 Energy: 1.7358211859535029 Energy: 1.4785331056234856 Energy: 1.4790839705988978 Energy: 1.4797754882076088 Energy: 1.7527210361334862 Energy: 1.4797754882091227 Energy: 1.4789514692010652 Energy: 1.4795668902338253 Energy: 1.813523727766743 Energy: 1.4795668902345824 Energy: 1.4819385635866513 Energy: 1.4773926459813393 Energy: 1.8034461283446792 Energy: 1.4773926459798252 Energy: 1.50599949491844 Energy: 1.4778414723359523 Energy: 1.8012042945752458 Energy: 1.4778414723382234 Energy: 1.7342826142466394 Energy: 1.7121067713449951 Energy: 1.7397618326697377 Energy: 1.712106771346509 Energy: 1.7352716454831727 Energy: 1.7105761121502205 Energy: 1.7111856302993511 Energy: 1.7105761121502205 Energy: 1.5655318678008165 Energy: 1.6519677921646665 Energy: 1.5620564897760294 Energy: 1.6519677921654234 Energy: 1.4672275777190849 Energy: 1.5644336202995464 Energy: 1.7149494724824912 Energy: 1.5644336202980325 Energy: 1.5527459319695693 Energy: 1.5523562530523736 Energy: 1.6238599588643745 Energy: 1.5523562530493455 Energy: 1.554249644384447 Energy: 1.5783710009392906 Energy: 1.8451657833353372 Energy: 1.5783710009392906 Energy: 1.7363033392352585 Energy: 1.5534191810769948 Energy: 1.553999833868906 Energy: 1.5534191810777518 Energy: 1.7356802643652134 Energy: 1.5541966361615362 Energy: 1.554790266258499 Energy: 1.5541966361600221 Energy: 1.7121813947209799 Energy: 1.5660792156802612 Energy: 1.5708515150956428 Energy: 1.566079215679504 Energy: 1.6555942894602103 Energy: 1.6440093994652452 Energy: 1.5686715499874728 Energy: 1.6440093994652452 Energy: 1.7113279483738517 Energy: 1.6466470586944668 Energy: 1.6088420010053264 Energy: 1.646647058695981 Energy: 1.7108667006489588 Energy: 1.713839341753889 Energy: 1.8382098170402452 Energy: 1.7138393417546458 Energy: 1.735464775171457 Energy: 1.7133946874346335 Energy: 1.4915294520664593 Energy: 1.7133946874338766 Energy: 1.7564688750578998 Energy: 1.4796787409130505 Energy: 1.4793574503430127 Energy: 1.4796787409130505 Energy: 1.7373459381707703 Energy: 1.4789675776830664 Energy: 1.4795356292704227 Energy: 1.4789675776853373 Energy: 1.8027863749174466 Energy: 1.477234793522321 Energy: 1.4788571373742332 Energy: 1.477234793522321 Energy: 1.803122001847472 Energy: 1.4782697362931543 Energy: 1.4805455561687668 Energy: 1.4782697362923973 Energy: 1.7425261201189668 Energy: 1.711540785227022 Energy: 1.734121057034455 Energy: 1.711540785228536 Energy: 1.7116181994531974 Energy: 1.7101732258142381 Energy: 1.734520362498922 Energy: 1.710173225813481 Energy: 1.56439821939503 Energy: 1.744542555720383 Energy: 1.5555233978196 Energy: 1.744542555721897 Energy: 1.7132079254358428 Energy: 1.5646177481653356 Energy: 1.4662652658577997 Energy: 1.5646177481668497 Energy: 1.6211032567497623 Energy: 1.553479565444065 Energy: 1.5540005079623371 Energy: 1.553479565444065 Energy: 1.840372882761744 Energy: 1.5580408171848068 Energy: 1.5539584940522397 Energy: 1.5580408171825357 Energy: 1.5559083388308712 Energy: 1.5525381285778161 Energy: 1.734763559531524 Energy: 1.5525381285770594 Energy: 1.5538436123220882 Energy: 1.554126910057325 Energy: 1.7514748249813048 Energy: 1.554126910058082 Energy: 1.5532807569376372 Energy: 1.5671125369561758 Energy: 1.6721985111935223 Energy: 1.5671125369554189 Energy: 1.566009193898671 Energy: 1.6431011793415395 Energy: 1.6566199832569468 Energy: 1.6431011793392685 Energy: 1.5538880062771725 Energy: 1.6414837129640698 Energy: 1.619930411789389 Energy: 1.6414837129648268 Energy: 1.8476991628833943 Energy: 1.7124069316318435 Energy: 1.7103536514838482 Energy: 1.7124069316318435 minimum gb energy = 1.4662652658577997 eV minimum distance = 2.21871617422095 Angstroms sigma value = 73 ======================================== theta = 43.60281897270362 ======================================== Energy: 1.795619158752494 Energy: 1.5341422625351568 Energy: 1.635037907456854 Energy: 1.6345569688110866 Energy: 1.4926974203168526 Energy: 1.4828123231758525 Energy: 1.6754581763500065 Energy: 1.4828123231758525 Energy: 1.4827016328910085 Energy: 1.4835768968791796 Energy: 1.6233067713693254 Energy: 1.4835768968791796 Energy: 1.483410679966814 Energy: 1.483805607810466 Energy: 1.772726828216667 Energy: 1.4838056078128685 Energy: 1.483518272317154 Energy: 1.4826677922143252 Energy: 1.7633719301950908 Energy: 1.4826677922143252 Energy: 1.5190785399311217 Energy: 1.4829205413753785 Energy: 1.7630100132768827 Energy: 1.4829205413765796 Energy: 1.672244003577091 Energy: 1.6367085690977512 Energy: 1.6756172060238717 Energy: 1.6367085690977512 Energy: 1.6706689072056504 Energy: 1.6340888193942695 Energy: 1.634114784498216 Energy: 1.6340888193942695 Energy: 1.6361238734819488 Energy: 1.5991064682210445 Energy: 1.637116163446584 Energy: 1.5991064682234466 Energy: 1.4635960393227245 Energy: 1.5967628325732781 Energy: 1.6357121415939149 Energy: 1.596762832572077 Energy: 1.6332883750184701 Energy: 1.6346270243291343 Energy: 1.4918581711098604 Energy: 1.6346270243291343 Energy: 1.6767052364069686 Energy: 1.6756667631464617 Energy: 1.7785212612714192 Energy: 1.6756667631476625 Energy: 1.6422137991982004 Energy: 1.4821361402729618 Energy: 1.5189990501134165 Energy: 1.4821361402741628 Energy: 1.6236255659489842 Energy: 1.4833863598742094 Energy: 1.4825981039682412 Energy: 1.4833863598754107 Energy: 1.7726740311638716 Energy: 1.4840837872194834 Energy: 1.4844322458128327 Energy: 1.4840837872206847 Energy: 1.762796902445349 Energy: 1.4842210599320063 Energy: 1.484651328793039 Energy: 1.4842210599320063 Energy: 1.7640931177060568 Energy: 1.7604472763678283 Energy: 1.518941571827827 Energy: 1.7604472763678283 Energy: 1.6742794456058523 Energy: 1.675289898626192 Energy: 1.6720355973755354 Energy: 1.675289898627393 Energy: 1.63543134567271 Energy: 1.6358445402591348 Energy: 1.669971386536872 Energy: 1.6358445402591348 Energy: 1.6406152656594795 Energy: 1.596590712988328 Energy: 1.6474374147717867 Energy: 1.596590712988328 Energy: 1.6351088479199796 Energy: 1.5968921061501142 Energy: 1.4654972025565525 Energy: 1.5968921061501142 Energy: 1.775653255557839 Energy: 1.6350570278535885 Energy: 1.6348527947432752 Energy: 1.6350570278547896 minimum gb energy = 1.4635960393227245 eV minimum distance = 2.21652936210029 Angstroms sigma value = 7 ======================================== theta = 46.39718102729638 ======================================== Energy: 1.9220664118039088 Energy: 1.5776499377848028 Energy: 1.6449625907575232 Energy: 1.64331444177967 Energy: 1.4901545947840154 Energy: 1.630325103573701 Energy: 1.7681327464433896 Energy: 1.6303251035745505 Energy: 1.5326828850132626 Energy: 1.4948840517777788 Energy: 1.6093203711677184 Energy: 1.4948840517769295 Energy: 1.495374648208725 Energy: 1.4949025990570115 Energy: 1.7697622500272738 Energy: 1.4949025990578606 Energy: 1.5191446709121652 Energy: 1.518922004806708 Energy: 1.723980976558836 Energy: 1.5189220047990641 Energy: 1.5199083574356678 Energy: 1.5192837983756926 Energy: 1.7264964944789316 Energy: 1.5192837983833367 Energy: 1.775611631376781 Energy: 1.5198501864969607 Energy: 1.5189195186030344 Energy: 1.519850186492714 Energy: 1.776585197381994 Energy: 1.5190248463330207 Energy: 1.5170929759778928 Energy: 1.519024846331322 Energy: 1.767644063506123 Energy: 1.4932697717712455 Energy: 1.4938319708620307 Energy: 1.493269771766999 Energy: 1.727574418284561 Energy: 1.7003386618175305 Energy: 1.5348963034377372 Energy: 1.7003386618158318 Energy: 1.7675785127772068 Energy: 1.644103994036818 Energy: 1.5183872868831576 Energy: 1.6441039940376676 Energy: 1.6464648510145907 Energy: 1.6463030850013738 Energy: 1.7747451844587943 Energy: 1.6463030849988258 Energy: 1.6474799802959732 Energy: 1.6188424532474397 Energy: 1.6436824530438507 Energy: 1.618842453253385 Energy: 1.6160890584823808 Energy: 1.5866372198172471 Energy: 1.4937739416543894 Energy: 1.5866372198206442 Energy: 1.6458834676359837 Energy: 1.6175656268222738 Energy: 1.5337377695343788 Energy: 1.6175656268231229 Energy: 1.543699545867103 Energy: 1.6451880814962518 Energy: 1.643146254074575 Energy: 1.6451880814894575 Energy: 1.5442948938220582 Energy: 1.6430036905650784 Energy: 1.6739920944163589 Energy: 1.643003690569325 Energy: 1.5358913973414285 Energy: 1.7053485211479853 Energy: 1.6098044906843287 Energy: 1.7053485211539308 Energy: 1.4915849589733408 Energy: 1.4940306829328558 Energy: 1.7689912877098863 Energy: 1.4940306829269108 Energy: 1.518459318741195 Energy: 1.5177194958248064 Energy: 1.545882412839039 Energy: 1.5177194958154638 Energy: 1.5222904343910277 Energy: 1.5196194620637502 Energy: 1.72139765064926 Energy: 1.5196194620671475 Energy: 1.7756235208075388 Energy: 1.5185009729976393 Energy: 1.5219893235738275 Energy: 1.5185009729976393 Energy: 1.7745467809495228 Energy: 1.5198741900134891 Energy: 1.5206055525905304 Energy: 1.5198741900168864 Energy: 1.7668240836541917 Energy: 1.4948038425910704 Energy: 1.494684802650349 Energy: 1.4948038425902213 Energy: 1.7261303605454459 Energy: 1.4949551855431964 Energy: 1.4952198956774683 Energy: 1.4949551855431964 Energy: 1.738623526471241 Energy: 1.7067010997906615 Energy: 1.5335817412636632 Energy: 1.7067010997889631 Energy: 1.6462837236158612 Energy: 1.6423632539869062 Energy: 2.0148224250628264 Energy: 1.6423632539869062 Energy: 1.6448400361461784 Energy: 1.6470781344030405 Energy: 1.5333515494810586 Energy: 1.6470781344047392 Energy: 1.6096497142302377 Energy: 1.5884783274359333 Energy: 1.6297849959684985 Energy: 1.588478327437632 Energy: 1.6446579418514429 Energy: 1.6153383829906383 Energy: 1.4978569628467366 Energy: 1.6153383829948846 Energy: 1.5439204739610741 Energy: 1.644572798098488 Energy: 1.6427401124297312 Energy: 1.6445727980976386 minimum gb energy = 1.4901545947840154 eV minimum distance = 2.20590869263791 Angstroms sigma value = 29 ======================================== theta = 53.13010235415598 ======================================== Energy: 1.3753474423417493 Energy: 1.376943068245925 Energy: 1.5080184771845186 Energy: 1.5738486741874302 Energy: 1.4896405612080381 Energy: 1.6123335412373851 Energy: 1.5069149137613622 Energy: 1.6123335412370892 Energy: 1.5072272973707095 Energy: 1.5702593308057577 Energy: 1.4347753484694763 Energy: 1.5702593308057577 Energy: 1.490192782236578 Energy: 1.4130139956040673 Energy: 1.5052970463393165 Energy: 1.413013995604363 Energy: 1.450021275216451 Energy: 1.4502345444272695 Energy: 1.3809205264418554 Energy: 1.4502345444272695 Energy: 1.5047178251936202 Energy: 1.5719571975294817 Energy: 1.3811058483223464 Energy: 1.5719571975294817 Energy: 1.4342443714425184 Energy: 1.569832598156279 Energy: 1.505441437292487 Energy: 1.569832598156279 Energy: 1.507120328989788 Energy: 1.4475053437587575 Energy: 1.4911834759089881 Energy: 1.4475053437587575 Energy: 1.4890528083073946 Energy: 1.4470901449093414 Energy: 1.4472233421550988 Energy: 1.447090144908487 minimum gb energy = 1.3753474423417493 eV minimum distance = 2.23015653716595 Angstroms sigma value = 5 ======================================== theta = 59.48976259388444 ======================================== Energy: 1.9506705200205614 Energy: 1.3840798985478955 Energy: 1.6424938820476762 Energy: 1.3928025932923307 Energy: 1.7080647545211807 Energy: 1.3938670528467645 Energy: 1.606677288216955 Energy: 1.393867052849171 Energy: 1.6042292894414907 Energy: 1.49958141157188 Energy: 1.600354509057579 Energy: 1.4995814115782984 Energy: 1.50425307894009 Energy: 1.391349777869069 Energy: 1.6051714186916752 Energy: 1.39134977786586 Energy: 1.6028738817791846 Energy: 1.409395010758978 Energy: 1.508778620366824 Energy: 1.4093950107581759 Energy: 1.4087971749808181 Energy: 1.4184804822213095 Energy: 1.5108579910151392 Energy: 1.4184804822229142 Energy: 1.3925153980280358 Energy: 1.3908193870484182 Energy: 1.7538969766721217 Energy: 1.3908193870508248 Energy: 1.4003070220572265 Energy: 1.3993215900161973 Energy: 1.6966210833636781 Energy: 1.399321590012988 Energy: 1.6969242404365439 Energy: 1.4687826568112914 Energy: 1.7012996601952128 Energy: 1.468782656809687 Energy: 1.7109431816279563 Energy: 1.3831548128175208 Energy: 1.3808687647493472 Energy: 1.3831548128199276 Energy: 1.6938961467691798 Energy: 1.3820696899059814 Energy: 1.3923823482842523 Energy: 1.3820696899107952 Energy: 1.6983474065758801 Energy: 1.4012861983465887 Energy: 1.404075933451088 Energy: 1.4012861983409728 Energy: 1.692850058279707 Energy: 1.381652965298177 Energy: 1.6078698941608012 Energy: 1.381652965297375 Energy: 1.7174734925568405 Energy: 1.6001627806575753 Energy: 1.6908320774945538 Energy: 1.6001627806543663 Energy: 1.4706138896909882 Energy: 1.3657223181862324 Energy: 1.693242145899871 Energy: 1.3657223181766047 Energy: 1.4865608992867154 Energy: 1.366746951060034 Energy: 1.6763088635471683 Energy: 1.366746951064848 Energy: 1.4800940230968151 Energy: 1.3679445751393153 Energy: 1.3992921388557358 Energy: 1.3679445751401178 Energy: 1.685880953053846 Energy: 1.37979535488626 Energy: 1.6825668922458512 Energy: 1.3797953548822486 Energy: 1.6825066812935787 Energy: 1.476821231238851 Energy: 1.4020674816482934 Energy: 1.476821231236444 Energy: 1.6821063966501226 Energy: 1.3980100745158301 Energy: 1.5025118831206032 Energy: 1.3980100745174349 Energy: 1.5091889819897826 Energy: 1.3978400415459626 Energy: 1.5159763289446562 Energy: 1.3978400415563925 Energy: 1.5072571468088594 Energy: 1.4294412562480843 Energy: 1.4164105992310718 Energy: 1.4294412562520955 Energy: 1.7507791729480349 Energy: 1.3969757624977712 Energy: 1.401346916041742 Energy: 1.396975762494562 Energy: 1.6956365087334053 Energy: 1.3996718260544847 Energy: 1.3988777623757678 Energy: 1.3996718260520777 Energy: 1.6995063895264229 Energy: 1.3746556434135901 Energy: 1.6807138467388172 Energy: 1.3746556434087764 Energy: 1.380196961824672 Energy: 1.382106490620391 Energy: 1.7109022934360336 Energy: 1.3821064906236 Energy: 1.3944378686182308 Energy: 1.3884019610844724 Energy: 1.651291222531677 Energy: 1.3884019610836702 Energy: 1.3926778688351926 Energy: 1.392907972052992 Energy: 1.5182249925051476 Energy: 1.3929079720505853 Energy: 1.4966146942378347 Energy: 1.375892409241475 Energy: 1.6949840464461758 Energy: 1.3758924092430795 Energy: 1.6914690375935784 Energy: 1.4661058746694955 Energy: 1.7050705688510879 Energy: 1.466105874667891 Energy: 1.69081338394782 Energy: 1.3925208384922367 Energy: 1.3957084531185928 Energy: 1.3925208384978527 Energy: 1.7317050251043855 Energy: 1.392127584796753 Energy: 1.3961126315313992 Energy: 1.392127584797555 Energy: 1.3973142337624915 Energy: 1.4337843156925356 Energy: 1.43265100184679 Energy: 1.4337843156941403 minimum gb energy = 1.3657223181766047 eV minimum distance = 2.18347838061185 Angstroms sigma value = 1 ======================================== theta = 61.92751306414704 ======================================== Energy: 1.9197402918868902 Energy: 1.3258449735939097 Energy: 1.3347927450820853 Energy: 1.3451477798589258 Energy: 1.7411901518475619 Energy: 1.3332141651283829 Energy: 1.5903644552650735 Energy: 1.3332141651294418 Energy: 1.5889403678350438 Energy: 1.4696998331254516 Energy: 1.6067828612685042 Energy: 1.4696998331254516 Energy: 1.3433654410267402 Energy: 1.3289383145058298 Energy: 1.5917558110206227 Energy: 1.3289383145058298 Energy: 1.5691937447992337 Energy: 1.3434086994648908 Energy: 1.5982996495082373 Energy: 1.3434086994671093 Energy: 1.3291046184904627 Energy: 1.3428196894857571 Energy: 1.5998084869597295 Energy: 1.3428196894846476 Energy: 1.3409005224220056 Energy: 1.3272357559982977 Energy: 1.766675264292695 Energy: 1.3272357559982977 Energy: 1.3448116404201638 Energy: 1.3301592622984515 Energy: 1.7923651252033517 Energy: 1.3301592623017793 Energy: 1.5929523457910797 Energy: 1.442077789315306 Energy: 1.7910764677689823 Energy: 1.4420777893164156 Energy: 1.6025361905911681 Energy: 1.330404960580191 Energy: 1.334259279712471 Energy: 1.330404960580191 Energy: 1.7661653187367918 Energy: 1.3276676709938415 Energy: 1.329846949121463 Energy: 1.3276676709949504 Energy: 1.8376798653558257 Energy: 1.3440945180553994 Energy: 1.3305187860944898 Energy: 1.3440945180587272 Energy: 1.8367212898522605 Energy: 1.3288628572913812 Energy: 1.331276814168557 Energy: 1.3288628572880532 Energy: 1.5921326611004378 Energy: 1.3289991822285263 Energy: 1.6050476157549132 Energy: 1.3289991822285263 Energy: 1.3423429453118456 Energy: 1.4684882059376643 Energy: 1.6059406879781624 Energy: 1.468488205935446 Energy: 1.3422513912404463 Energy: 1.3305016428107264 Energy: 1.7660071244372906 Energy: 1.3305016428051797 Energy: 1.3285384640479605 Energy: 1.3319346908831369 Energy: 1.5961279982162973 Energy: 1.3319346908820275 Energy: 1.3517723585039085 Energy: 1.3417569255276933 Energy: 1.5836778851182205 Energy: 1.3417569255321304 Energy: 1.3406748983517343 Energy: 1.3331546018234228 Energy: 1.7955229709942446 Energy: 1.3331546018189857 Energy: 1.3446624982851598 Energy: 1.422248334411234 Energy: 1.7935645661130248 Energy: 1.4222483344134522 Energy: 1.5993668564228576 Energy: 1.4214274127150726 Energy: 1.7655193742390498 Energy: 1.4214274127106357 Energy: 1.5965357768019313 Energy: 1.3316576260097992 Energy: 1.3312845916701972 Energy: 1.331657626012018 Energy: 1.7649519055258989 Energy: 1.3280753556157363 Energy: 1.329110002819857 Energy: 1.3280753556168459 Energy: 1.836788038810157 Energy: 1.32906044891932 Energy: 1.3286183892802415 Energy: 1.32906044891932 minimum gb energy = 1.3258449735939097 eV minimum distance = 2.19913946861062 Angstroms sigma value = 17 ======================================== theta = 64.01076641616699 ======================================== Energy: 2.034506927258012 Energy: 1.303260659006827 Energy: 1.608971076098782 Energy: 1.3137386711714585 Energy: 1.3177022405526693 Energy: 1.307697640049877 Energy: 1.4941133477219688 Energy: 1.307697640049877 Energy: 1.6666266659842819 Energy: 1.3045088565756922 Energy: 1.4860916436127098 Energy: 1.3045088565770633 Energy: 1.6476748910111705 Energy: 1.3864629710308125 Energy: 1.473652041850588 Energy: 1.386462971033555 Energy: 1.6471495476278757 Energy: 1.292545582557602 Energy: 1.7838650048571045 Energy: 1.292545582557602 Energy: 1.2943041356757954 Energy: 1.2922807580264464 Energy: 1.7863474021900845 Energy: 1.2922807580264464 Energy: 1.2945370900615283 Energy: 1.2934780512883288 Energy: 1.378578402734761 Energy: 1.2934780512890147 Energy: 1.2990081541661187 Energy: 1.2953607189402763 Energy: 1.9296894582158735 Energy: 1.2953607189437044 Energy: 1.7393295911123128 Energy: 1.2953016230204613 Energy: 1.6532233311314035 Energy: 1.2953016230225183 Energy: 1.4906318255759967 Energy: 1.3915903145377888 Energy: 1.4740584672065673 Energy: 1.3915903145384745 Energy: 1.73506506677523 Energy: 1.304805998878312 Energy: 1.3141915106665578 Energy: 1.3048059988735121 Energy: 1.7827998715867026 Energy: 1.335685176711575 Energy: 1.5127138777718048 Energy: 1.3356851767122606 Energy: 1.790938177133645 Energy: 1.360076349970519 Energy: 1.3065533687265913 Energy: 1.3600763499691477 Energy: 1.625875180988871 Energy: 1.3058266298339956 Energy: 1.3091175479916568 Energy: 1.3058266298339956 Energy: 1.6435153485946992 Energy: 1.3083518076292353 Energy: 1.3133080418568184 Energy: 1.3083518076319778 Energy: 1.8800395279508604 Energy: 1.3066968887077 Energy: 1.6207166395537937 Energy: 1.3066968887104426 Energy: 1.3571292887097939 Energy: 1.515535238047155 Energy: 1.7924935235603892 Energy: 1.5155352380519542 Energy: 1.3041089782402706 Energy: 1.3071604825284542 Energy: 1.7650689345532744 Energy: 1.307160482523655 Energy: 1.3768242700404416 Energy: 1.3107442502812727 Energy: 1.653010759830985 Energy: 1.3107442502826439 Energy: 1.5142033296620487 Energy: 1.307785417225201 Energy: 1.9132174101554946 Energy: 1.307785417223144 Energy: 1.4874757424725693 Energy: 1.3085593296035964 Energy: 1.5199656434774271 Energy: 1.308559329604282 Energy: 1.4844190198243479 Energy: 1.3060354846720144 Energy: 1.6460059286622062 Energy: 1.306035484670643 Energy: 1.4756340776421668 Energy: 1.3838683934699496 Energy: 1.6449003762559502 Energy: 1.3838683934685783 Energy: 1.784484566037425 Energy: 1.2948533631962567 Energy: 1.4817304741407484 Energy: 1.2948533631955708 Energy: 1.7656694691859016 Energy: 1.3143790027343043 Energy: 1.2921649350764774 Energy: 1.3143790027336186 Energy: 1.3815620787228025 Energy: 1.2939390504533976 Energy: 1.2957831601192578 Energy: 1.2939390504533976 Energy: 1.9133055945371016 Energy: 1.2971385135031683 Energy: 1.2968769449669633 Energy: 1.2971385135024827 Energy: 1.8443475633698787 Energy: 1.2936104315482149 Energy: 1.7401174266628825 Energy: 1.293610431551643 Energy: 1.46825337033579 Energy: 1.3869835403530293 Energy: 1.4842251936978719 Energy: 1.3869835403550863 Energy: 1.3160746497076425 Energy: 1.304864580487281 Energy: 1.735290072698839 Energy: 1.3048645804838526 Energy: 1.5149146978243178 Energy: 1.319346973830607 Energy: 1.7852027952928098 Energy: 1.3193469738299208 Energy: 1.3632903727288341 Energy: 1.3579570700380568 Energy: 1.7866229590155291 Energy: 1.3579570700387422 Energy: 1.3055244748943426 Energy: 1.3052580729092338 Energy: 1.6230270388656636 Energy: 1.3052580729078627 Energy: 1.3194167925773195 Energy: 1.3090497559174847 Energy: 1.6460920397231305 Energy: 1.3090497559174847 Energy: 1.6219782564317766 Energy: 1.3056035373077624 Energy: 1.8775160022475723 Energy: 1.3056035373091335 Energy: 1.8510308938373539 Energy: 1.3126644012385607 Energy: 1.366460009616483 Energy: 1.3126644012385607 Energy: 1.6208509366323185 Energy: 1.3057740517149743 Energy: 1.3154668875449254 Energy: 1.305774051713603 Energy: 1.6509349845537031 Energy: 1.3343440707297254 Energy: 1.3562816067714705 Energy: 1.334344070731782 minimum gb energy = 1.2921649350764774 eV minimum distance = 2.1957075215654 Angstroms sigma value = 89 ======================================== theta = 67.38013505195957 ======================================== Energy: 2.1422792012952963 Energy: 1.242432449403129 Energy: 1.1960959881063542 Energy: 1.1954417322129511 Energy: 1.9357920103906048 Energy: 1.3216137262483756 Energy: 1.568492251438082 Energy: 1.3216137262501695 Energy: 1.1807285275072026 Energy: 1.3226141335066917 Energy: 1.580009936685006 Energy: 1.3226141335066917 Energy: 1.1812227943815499 Energy: 1.324852558400556 Energy: 1.19403875834105 Energy: 1.3248525584023498 Energy: 1.1915986633161497 Energy: 1.1923767902189493 Energy: 1.5706175670170397 Energy: 1.1923767902189493 Energy: 1.1943515248263217 Energy: 1.1929780401181485 Energy: 1.5702384259950142 Energy: 1.1929780401181485 Energy: 1.194615286997846 Energy: 1.1899596883902601 Energy: 1.567765704810126 Energy: 1.1899596883902601 Energy: 1.194278831090265 Energy: 1.195783680121504 Energy: 1.9357546410037292 Energy: 1.195783680121504 Energy: 1.566933078608854 Energy: 1.1900101680944242 Energy: 1.9363582322746702 Energy: 1.1900101680944242 Energy: 1.5827310371598504 Energy: 1.3252832522294993 Energy: 1.2265996429734893 Energy: 1.3252832522294993 Energy: 1.5664883228533724 Energy: 1.3251028880397953 Energy: 1.1783391427304408 Energy: 1.3251028880397953 Energy: 1.5709855082762205 Energy: 1.1932947885032692 Energy: 1.1938285850427384 Energy: 1.193294788505063 Energy: 1.5719462447352748 Energy: 1.1941230411056578 Energy: 1.1913823869991873 Energy: 1.1941230411074517 Energy: 1.223145916952423 Energy: 1.189155126454672 Energy: 1.1888233090939246 Energy: 1.189155126454672 Energy: 1.9369435792826881 Energy: 1.1932340957541931 Energy: 1.19357490353448 Energy: 1.1932340957541931 minimum gb energy = 1.1783391427304408 eV minimum distance = 2.2222724348279 Angstroms sigma value = 13 ======================================== theta = 71.07535558394876 ======================================== Energy: 1.905582004515499 Energy: 1.1478974047869346 Energy: 1.1301234632538713 Energy: 1.1322789326318967 Energy: 1.8105647634272566 Energy: 1.1283364708111392 Energy: 1.3468243872584762 Energy: 1.1283364707991084 Energy: 1.8080980543793177 Energy: 1.127180722328738 Energy: 1.322327416896428 Energy: 1.1271807223332497 Energy: 1.505050907149236 Energy: 1.1323640532460142 Energy: 1.5596226725016489 Energy: 1.1323640532497738 Energy: 1.5591649376380323 Energy: 1.1294149967634564 Energy: 1.6603784159774468 Energy: 1.129414996767968 Energy: 1.3225321418206515 Energy: 1.1292393743577578 Energy: 1.6581546989633473 Energy: 1.1292393743585094 Energy: 1.321676315993158 Energy: 1.1279817462442692 Energy: 1.6745611711562716 Energy: 1.1279817462510364 Energy: 1.3076153418574559 Energy: 1.1621747829616789 Energy: 1.930187961220677 Energy: 1.1621747829737097 Energy: 1.157243408227486 Energy: 1.1321960600444474 Energy: 1.9321946388554847 Energy: 1.132196060039936 Energy: 1.1261147394321434 Energy: 1.1277789591985126 Energy: 1.9351346426664873 Energy: 1.1277789591992642 Energy: 1.1555447719361949 Energy: 1.1381362111174738 Energy: 1.906773237486226 Energy: 1.1381362111070155 Energy: 1.6422198859422155 Energy: 1.2055996732328451 Energy: 1.681363674915872 Energy: 1.2055996732366046 Energy: 1.6594317326892034 Energy: 1.204504956563575 Energy: 1.660846495294382 Energy: 1.2045049565703427 Energy: 1.660670389865338 Energy: 1.2073690690755887 Energy: 1.505683814328857 Energy: 1.2073690690816044 Energy: 1.941119399105653 Energy: 1.1306326459050913 Energy: 1.534111125075463 Energy: 1.1306326459043394 Energy: 1.9380534197011317 Energy: 1.1320334713803832 Energy: 1.132626888232047 Energy: 1.1320334713825708 Energy: 1.6686836500492985 Energy: 1.1281230450612092 Energy: 1.1285584358997 Energy: 1.1281230450521862 Energy: 1.82103992071505 Energy: 1.130115443850589 Energy: 1.1365993379658066 Energy: 1.130115443850589 Energy: 2.0573464097122574 Energy: 1.131326299145625 Energy: 1.3310065524523265 Energy: 1.1313262991396096 Energy: 1.6820989579480765 Energy: 1.126005209026323 Energy: 1.3201830955876739 Energy: 1.1260052090203077 Energy: 1.5049563298842061 Energy: 1.13535416547882 Energy: 1.3465876320201131 Energy: 1.1353541654825794 Energy: 1.6818970563750657 Energy: 1.1269147314459864 Energy: 1.6585160311700209 Energy: 1.1269147314452344 Energy: 1.329397401918472 Energy: 1.130293857442451 Energy: 1.6608603894532759 Energy: 1.1302938574537298 Energy: 1.1319103895828082 Energy: 1.1265106111912182 Energy: 1.6763060289141898 Energy: 1.12651061119197 Energy: 1.3042081605510376 Energy: 1.1581683640454412 Energy: 1.9402628128736783 Energy: 1.1581683640424336 Energy: 1.1595808416923987 Energy: 1.1361708231976453 Energy: 1.9361047434716672 Energy: 1.1361708231983974 Energy: 1.1273929963444873 Energy: 1.126627291401954 Energy: 1.678827935656128 Energy: 1.1266272914072173 Energy: 1.128201444519451 Energy: 1.1338895479741367 Energy: 1.8190492490531625 Energy: 1.1338895479763924 Energy: 1.6399903020750717 Energy: 1.1277674110895466 Energy: 2.0588610858733123 Energy: 1.1277674110985696 Energy: 1.3181548843874171 Energy: 1.2088114645071029 Energy: 1.6613787776884776 Energy: 1.2088114645048473 Energy: 1.6456038138728541 Energy: 1.2125304570379087 Energy: 1.5068123466001975 Energy: 1.212530457046932 Energy: 1.9371629297281185 Energy: 1.1302941910815942 Energy: 1.6403398760277856 Energy: 1.130294191092873 Energy: 1.942151777413026 Energy: 1.1315430227335388 Energy: 1.1598924532399864 Energy: 1.1315430227372982 Energy: 1.7707894378865947 Energy: 1.1265640918264443 Energy: 1.1283463610067892 Energy: 1.1265640918279483 Energy: 2.05202660377962 Energy: 1.1291276988583079 Energy: 1.1338647084948525 Energy: 1.1291276988673309 minimum gb energy = 1.1260052090203077 eV minimum distance = 2.21824736361422 Angstroms sigma value = 37 ======================================== theta = 73.73979529168804 ======================================== Energy: 1.675307874465805 Energy: 1.0938458818487504 Energy: 1.031460872862413 Energy: 1.028042039899737 Energy: 2.0796564486634024 Energy: 1.028161909272318 Energy: 1.3339229164717357 Energy: 1.0281619092710244 Energy: 1.637929487335009 Energy: 1.0262701967689876 Energy: 1.339475886564938 Energy: 1.0262701967689876 Energy: 1.6371032332496753 Energy: 1.1666699475834785 Energy: 1.3355522976663683 Energy: 1.1666699475834785 Energy: 1.667960838938179 Energy: 1.1655676256219571 Energy: 1.3346212359885212 Energy: 1.1655676256206635 Energy: 1.3421281858099658 Energy: 1.0269885517112511 Energy: 1.5664727242712573 Energy: 1.0269885517112511 Energy: 1.0210930126613766 Energy: 1.0260216611397468 Energy: 1.6675606310387898 Energy: 1.0260216611397468 Energy: 1.0429446707857997 Energy: 1.0269350955977832 Energy: 1.858409619922786 Energy: 1.0269350955977832 Energy: 1.0280359261330612 Energy: 1.0269339570251124 Energy: 1.8573200633170457 Energy: 1.0269339570251124 Energy: 1.0248939641601702 Energy: 1.0286895752788738 Energy: 1.8651740161689152 Energy: 1.0286895752775804 Energy: 1.0314608728960186 Energy: 1.0280420399566286 Energy: 1.6753078744670988 Energy: 1.0938458818487504 Energy: 1.3339229164717357 Energy: 1.0281619092710244 Energy: 2.0796564486634024 Energy: 1.0281619092710244 Energy: 1.339475886564938 Energy: 1.0262701967689876 Energy: 1.6379294873337154 Energy: 1.0262701967689876 Energy: 1.3355522976650747 Energy: 1.1666699475834785 Energy: 1.6371032332496753 Energy: 1.1666699475834785 Energy: 1.3346212359885212 Energy: 1.1655676256219571 Energy: 1.6679608389368852 Energy: 1.1655676256206635 Energy: 1.5664727242712573 Energy: 1.0269885517125448 Energy: 1.3421281858112595 Energy: 1.0269885517125448 Energy: 1.667560631041377 Energy: 1.0260216611397468 Energy: 1.0210930126626703 Energy: 1.0260216611397468 Energy: 1.8584096199253441 Energy: 1.0269350955964893 Energy: 1.0429446707870935 Energy: 1.0269350955964893 Energy: 1.8573200633170457 Energy: 1.0269339570251124 Energy: 1.0280359261317675 Energy: 1.0269339570251124 Energy: 1.8651740161676214 Energy: 1.0286895752788738 Energy: 1.0248939641601702 Energy: 1.0286895752788738 minimum gb energy = 1.0210930126613766 eV minimum distance = 2.22471825549276 Angstroms sigma value = 25 ======================================== theta = 77.31961650818018 ======================================== Energy: 1.9711318777673732 Energy: 0.9740000639490254 Energy: 0.9130374731509865 Energy: 0.9134585013468751 Energy: 2.1575172660641933 Energy: 0.9151206165794593 Energy: 1.1649209540435168 Energy: 0.9151206165804695 Energy: 1.7904994402924286 Energy: 0.9136105851559074 Energy: 1.168365681766425 Energy: 0.9136105851569177 Energy: 1.4067719654846769 Energy: 0.9178659519979745 Energy: 1.447055564518841 Energy: 0.9178659519959541 Energy: 1.8080440005468785 Energy: 1.0220497561666684 Energy: 1.608794149203353 Energy: 1.0220497561656583 Energy: 1.4157170473784944 Energy: 1.0210736265756701 Energy: 1.6069164614819227 Energy: 1.0210736265756701 Energy: 1.4144768307215596 Energy: 1.2941148106160842 Energy: 1.8080988629082244 Energy: 1.2941148106170943 Energy: 1.4468939032838959 Energy: 0.9172810998092547 Energy: 1.6101045494092403 Energy: 0.917281099811275 Energy: 1.168287610916577 Energy: 0.9135683389611068 Energy: 1.9796527371310755 Energy: 0.9135683389600966 Energy: 1.1713741070533852 Energy: 0.9151769791773149 Energy: 1.8110234189506786 Energy: 0.9151769791763047 Energy: 0.9139764870002764 Energy: 0.9133523000409067 Energy: 1.6889993489371438 Energy: 0.9133523000449474 Energy: 0.9196922036642984 Energy: 0.9150029475898616 Energy: 1.8099323799716247 Energy: 0.9150029475888515 Energy: 0.9157358426765794 Energy: 0.918159453307392 Energy: 2.162094418635015 Energy: 0.918159453307392 Energy: 1.1670439260355658 Energy: 0.9135853658421911 Energy: 1.7880816841348448 Energy: 0.9135853658411809 Energy: 1.1673463941626319 Energy: 0.9131053068787315 Energy: 1.8087015779332067 Energy: 0.9131053068787315 Energy: 1.172971983471784 Energy: 0.9153674793949935 Energy: 1.7933358890492526 Energy: 0.9153674793949935 Energy: 1.6069289252937724 Energy: 0.9154167827871381 Energy: 1.7912229231860157 Energy: 0.9154167827871381 Energy: 1.1601145965816748 Energy: 1.0225521542929876 Energy: 1.6072426330950063 Energy: 1.0225521542919773 Energy: 1.608304738266825 Energy: 1.0228774655003714 Energy: 1.4141273724418812 Energy: 1.022877465498351 Energy: 1.977412379015332 Energy: 0.9132186926268486 Energy: 1.4148860326594275 Energy: 0.9132186926278588 Energy: 1.6113408072187358 Energy: 0.9189934508544645 Energy: 1.1689311997010319 Energy: 0.9189934508544645 Energy: 1.9792727587799894 Energy: 0.9124265120173204 Energy: 0.914842556238954 Energy: 0.9124265120163102 Energy: 1.973685649168459 Energy: 0.9179615466368481 Energy: 1.1687608921600534 Energy: 0.9179615466368481 Energy: 1.6054586633381065 Energy: 0.9139849484797463 Energy: 0.9140532342451739 Energy: 0.9139849484797463 Energy: 1.8074457364548815 Energy: 0.9129891516296721 Energy: 0.9142442418184434 Energy: 0.9129891516286618 Energy: 1.7910545247658103 Energy: 0.922549290037184 Energy: 0.9142687537405251 Energy: 0.9225492900392043 minimum gb energy = 0.9124265120163102 eV minimum distance = 2.22674793973854 Angstroms sigma value = 41 ======================================== theta = 79.61114218453038 ======================================== Energy: 1.9183820683700188 Energy: 0.8817906763050117 Energy: 0.830485969993982 Energy: 0.8306044242969789 Energy: 2.0597981840625827 Energy: 0.8304253271788844 Energy: 1.044032061531086 Energy: 0.8304253271772281 Energy: 1.894251078471183 Energy: 0.8294871660462134 Energy: 1.0415436308936519 Energy: 0.8294871660462134 Energy: 1.5773970959394683 Energy: 0.8367269025509025 Energy: 1.4112461771256324 Energy: 0.8367269025517307 Energy: 1.9063652913836513 Energy: 0.830255926717991 Energy: 1.4132666540545578 Energy: 0.8302559267188192 Energy: 1.5681106088944585 Energy: 0.8313577903659907 Energy: 1.4124841467740916 Energy: 0.8313577903668189 Energy: 1.5733826838702907 Energy: 0.921195398317618 Energy: 1.738219510325514 Energy: 0.921195398317618 Energy: 1.5874236890135613 Energy: 0.9249930120932449 Energy: 1.4056633584023805 Energy: 0.9249930120949013 Energy: 1.2475437085656582 Energy: 0.8286191431624984 Energy: 1.7338897196437602 Energy: 0.8286191431624984 Energy: 1.250678966535655 Energy: 0.8284368426858246 Energy: 1.9098582455815245 Energy: 0.8284368426858246 Energy: 1.041106412957054 Energy: 0.83865365787461 Energy: 1.7312858119149122 Energy: 0.8386536578729537 Energy: 1.039286977265868 Energy: 0.8282102602539071 Energy: 2.0518323617315914 Energy: 0.8282102602555633 Energy: 1.0505313876924505 Energy: 0.8328456387029806 Energy: 2.050925649072282 Energy: 0.8328456387029806 Energy: 0.8294708466671824 Energy: 0.8291024843504592 Energy: 1.7306980011245325 Energy: 0.8291024843546 Energy: 0.8322722793571535 Energy: 0.8298336400137308 Energy: 1.9068156334260569 Energy: 0.8298336400129027 Energy: 0.837659176552616 Energy: 0.8362126170199388 Energy: 1.8965264239623452 Energy: 0.8362126170191108 Energy: 1.0403348429323622 Energy: 0.8355816271141397 Energy: 1.902063887110471 Energy: 0.835581627115796 Energy: 1.0312956372304742 Energy: 0.8278755817667635 Energy: 1.9048136916615455 Energy: 0.8278755817675916 Energy: 1.04186781383911 Energy: 0.8338849191988078 Energy: 1.5711654044938757 Energy: 0.8338849191979796 Energy: 1.4174012918794012 Energy: 0.83095095201674 Energy: 1.567917104428398 Energy: 0.8309509520175682 Energy: 1.4086200846199293 Energy: 0.830858178621548 Energy: 1.7409814357733409 Energy: 0.8308581786207199 Energy: 1.4191533532195206 Energy: 0.9189719969957596 Energy: 1.575186297569098 Energy: 0.9189719969941033 Energy: 1.7336558784656122 Energy: 0.9170112900490177 Energy: 1.5684846567445352 Energy: 0.9170112900490177 Energy: 1.404913212062777 Energy: 0.9243084619249714 Energy: 1.4202074328630883 Energy: 0.9243084619257995 Energy: 1.7395488011448763 Energy: 0.8318355068257601 Energy: 1.2300258099105676 Energy: 0.8318355068257601 Energy: 1.7332859187715721 Energy: 0.8301250974878327 Energy: 1.4156587389052218 Energy: 0.8301250974878327 Energy: 1.7368336426881978 Energy: 0.8333839226934162 Energy: 1.0416610004301625 Energy: 0.8333839226917598 Energy: 1.9044303229960977 Energy: 0.828387890873831 Energy: 1.0327759661237625 Energy: 0.8283878908721747 Energy: 1.7360642135703401 Energy: 0.8394417431019522 Energy: 1.0413211943059708 Energy: 0.8394417431027804 Energy: 1.7325951996460802 Energy: 0.8370075969927511 Energy: 0.8292803863300495 Energy: 0.8370075969919228 Energy: 2.055166597006108 Energy: 0.82928542153606 Energy: 0.831718405997465 Energy: 0.82928542153606 Energy: 1.8914392338171102 Energy: 0.838344564483609 Energy: 0.8296561459974733 Energy: 0.8383445644852653 minimum gb energy = 0.8278755817667635 eV minimum distance = 2.22990054478281 Angstroms sigma value = 15 ======================================== theta = 81.20258929000894 ======================================== Energy: 1.6985917305822975 Energy: 0.8092359437968247 Energy: 0.7643084951287481 Energy: 0.7650787856414114 Energy: 2.10753905695996 Energy: 0.7667260397071743 Energy: 0.9415431304986245 Energy: 0.7667260397078761 Energy: 1.9662050051373763 Energy: 0.7648967519899256 Energy: 0.9400757421201223 Energy: 0.7648967519899256 Energy: 1.6937162294991974 Energy: 0.7716806033215765 Energy: 1.2614181724344935 Energy: 0.7716806033194716 Energy: 1.9744196522742405 Energy: 0.7620452416336095 Energy: 1.2634356554520514 Energy: 0.7620452416343111 Energy: 1.6830458229747207 Energy: 0.7631368086508421 Energy: 1.265308466540348 Energy: 0.7631368086487375 Energy: 1.401529041403085 Energy: 1.0899320608076994 Energy: 1.5502045823174062 Energy: 1.089932060806998 Energy: 1.6970909406542662 Energy: 1.0902208899016437 Energy: 1.2537474527559396 Energy: 1.0902208899016437 Energy: 1.3998931692872063 Energy: 1.0897936841750295 Energy: 1.5443476953057467 Energy: 1.089793684175731 Energy: 1.3994416602681619 Energy: 1.088881327840123 Energy: 1.826472595147484 Energy: 1.0888813278429292 Energy: 1.2634590854566983 Energy: 1.091723535394581 Energy: 1.5526909337478192 Energy: 1.0917235353931778 Energy: 1.1045241494688445 Energy: 0.7621706300541511 Energy: 1.827134351940453 Energy: 0.7621706300548529 Energy: 1.2665666759304843 Energy: 0.7636381836291649 Energy: 1.8238577644686533 Energy: 0.7636381836298667 Energy: 0.9355265852819156 Energy: 0.771327285300634 Energy: 1.5494494934057588 Energy: 0.7713272853034403 Energy: 0.9353253083789548 Energy: 0.7628447274682021 Energy: 1.9774839389705126 Energy: 0.7628447274696053 Energy: 0.936666835609436 Energy: 0.7688304420583058 Energy: 1.8264194612302012 Energy: 0.7688304420569025 Energy: 0.7629579788671965 Energy: 0.7737010964454905 Energy: 1.8311693141329957 Energy: 0.7737010964419825 Energy: 0.7631775042258995 Energy: 0.7637483639840452 Energy: 1.9760435091632778 Energy: 0.763748363984747 Energy: 0.7789706020351933 Energy: 0.7725955582998641 Energy: 1.6860904359489235 Energy: 0.772595558294953 Energy: 0.9502007386329255 Energy: 0.7700020444873364 Energy: 1.9722162349008876 Energy: 0.7700020444873364 Energy: 0.9307442732552407 Energy: 0.763108153037718 Energy: 1.9777067421665362 Energy: 0.7631081530370164 Energy: 0.9329808115751418 Energy: 0.7707474511939661 Energy: 1.6906902367043635 Energy: 0.7707474511960708 Energy: 1.268895620156117 Energy: 0.7642019540537465 Energy: 1.6822607440398345 Energy: 0.7642019540544481 Energy: 1.2616012723076968 Energy: 0.7626529275595701 Energy: 1.8304896696420332 Energy: 0.7626529275567637 Energy: 1.2799664378689717 Energy: 0.7653631655725387 Energy: 1.4089978494681308 Energy: 0.7653631655725387 Energy: 1.5422329579566918 Energy: 1.0887411428106444 Energy: 1.8281684712316684 Energy: 1.0887411428127494 Energy: 1.2586784496659744 Energy: 0.8399217804838733 Energy: 1.5472813388274351 Energy: 0.8399217804831718 Energy: 1.558583948760304 Energy: 1.0904841322603434 Energy: 1.408584720272245 Energy: 1.0904841322596417 Energy: 1.5440404248973225 Energy: 1.0894868777300948 Energy: 1.5478558996285985 Energy: 1.089486877731498 Energy: 1.5416095219416772 Energy: 0.7637667229203113 Energy: 1.267017841425796 Energy: 0.763766722921013 Energy: 1.8408281219971734 Energy: 0.7621155134671623 Energy: 1.104173506782397 Energy: 0.7621155134678639 Energy: 1.5480599424562393 Energy: 0.7705064895048507 Energy: 1.282655582868357 Energy: 0.7705064895055522 Energy: 1.8244591621381583 Energy: 0.7641681005612132 Energy: 0.942135991770294 Energy: 0.7641681005619148 Energy: 1.9762254433904947 Energy: 0.7659923413092833 Energy: 0.9492855507972852 Energy: 0.7659923413078801 Energy: 1.822567467679475 Energy: 0.7797439118697037 Energy: 0.9330817150190828 Energy: 0.7797439118725099 Energy: 2.0967496907725516 Energy: 0.7653819763264167 Energy: 0.7700564736798312 Energy: 0.7653819763278198 Energy: 1.9638220234577133 Energy: 0.7657658172529315 Energy: 0.7715330280693294 Energy: 0.7657658172543346 minimum gb energy = 0.7620452416336095 eV minimum distance = 2.2326811828593 Angstroms sigma value = 85 ======================================== theta = 82.3718503314193 ======================================== Energy: 1.7807483503377008 Energy: 0.765466793811199 Energy: 0.6886973344154882 Energy: 0.6887015133945381 Energy: 2.1185730995664507 Energy: 0.6917527366784015 Energy: 0.8380552977437016 Energy: 0.6917527366777929 Energy: 1.7507433737925624 Energy: 0.6910809023894677 Energy: 0.8383911505408909 Energy: 0.6910809023894677 Energy: 1.4951367479462523 Energy: 0.6895352932210825 Energy: 1.1294433403878494 Energy: 0.689535293220474 Energy: 2.010972991107291 Energy: 0.6904429418062307 Energy: 1.1291999047572863 Energy: 0.6904429418062307 Energy: 1.4973150085235625 Energy: 0.689740495187832 Energy: 1.1343757650289616 Energy: 0.6897404951872235 Energy: 1.5021314522108473 Energy: 0.6893171645337935 Energy: 1.3773398554513423 Energy: 0.6893171645337935 Energy: 1.7686500380308023 Energy: 0.6889924666863619 Energy: 1.117777508864766 Energy: 0.6889924666869703 Energy: 1.502080070806096 Energy: 1.2603394977810929 Energy: 1.3810406647537727 Energy: 1.2603394977810929 Energy: 1.5008920633708842 Energy: 1.2589125718433838 Energy: 1.6311406116399139 Energy: 1.2589125718433838 Energy: 1.3773886944573652 Energy: 1.0138190181564322 Energy: 1.3745324662188159 Energy: 1.0138190181564322 Energy: 1.2521296994752675 Energy: 0.6895156044431332 Energy: 1.6321795573113749 Energy: 0.6895156044431332 Energy: 1.3775031499235149 Energy: 0.6889391923382777 Energy: 1.626755733994527 Energy: 0.6889391923388861 Energy: 1.1297836977145408 Energy: 0.6895903968009778 Energy: 1.3715065365907755 Energy: 0.6895903968028031 Energy: 0.9820607971851694 Energy: 0.6887885035843937 Energy: 1.8826453373005592 Energy: 0.6887885035850022 Energy: 1.1304787251301602 Energy: 0.6909199892618686 Energy: 1.6248548433747811 Energy: 0.6909199892636941 Energy: 0.8382217151138094 Energy: 0.6931372832292001 Energy: 1.623719472794347 Energy: 0.6931372832310256 Energy: 0.8369254387554405 Energy: 0.6893181402533664 Energy: 2.008641851070643 Energy: 0.6893181402527577 Energy: 0.8380625173049132 Energy: 0.6892626054670474 Energy: 1.873771905973852 Energy: 0.6892626054670474 Energy: 0.6893245034406917 Energy: 0.6892215058272858 Energy: 1.8738140391275269 Energy: 0.6892215058260689 Energy: 0.6904076462897314 Energy: 0.6897852969433775 Energy: 2.0096756607229644 Energy: 0.689785296942769 Energy: 0.6894958726187959 Energy: 0.6894995466977376 Energy: 1.7481775236294659 Energy: 0.6894995466977376 Energy: 0.8480828912367616 Energy: 0.6893195191139216 Energy: 2.0011797986212767 Energy: 0.6893195191139216 Energy: 0.8403172072738768 Energy: 0.6891482131317039 Energy: 2.0118699778142357 Energy: 0.6891482131310953 Energy: 0.8409875037046399 Energy: 0.6892874315006052 Energy: 1.4953380069455031 Energy: 0.6892874315006052 Energy: 1.1327969251799206 Energy: 0.6893543369673296 Energy: 2.000460015589149 Energy: 0.6893543369673296 Energy: 1.1297123497957229 Energy: 0.6888179510766816 Energy: 1.7537497784938463 Energy: 0.6888179510778986 Energy: 1.3772649828548142 Energy: 0.6905046302396456 Energy: 1.4980700509629132 Energy: 0.6905046302396456 Energy: 1.377698944400336 Energy: 0.6899486702036892 Energy: 1.8805231931813797 Energy: 0.6899486702061232 Energy: 1.376960310968489 Energy: 0.6890526391117638 Energy: 1.5010583750102326 Energy: 0.6890526391087214 Energy: 1.6287824048114705 Energy: 1.257505369329356 Energy: 1.249695139545702 Energy: 1.2575053693299647 Energy: 1.3742833097526521 Energy: 1.2572727634010135 Energy: 1.629197133184594 Energy: 1.2572727634016219 Energy: 1.628135652334629 Energy: 0.6890350767069812 Energy: 1.2495620742593336 Energy: 0.6890350767100236 Energy: 1.8791908355572513 Energy: 0.6895473768437917 Energy: 1.248970491242963 Energy: 0.6895473768444002 Energy: 1.3718695376677454 Energy: 0.6899941667706879 Energy: 1.2892168113953226 Energy: 0.6899941667700793 Energy: 1.8776475610700254 Energy: 0.6888609040870884 Energy: 1.1224437882966243 Energy: 0.6888609040858714 Energy: 1.876073200922709 Energy: 0.6894880413665424 Energy: 1.1324705899771519 Energy: 0.6894880413665424 Energy: 1.6239580601642096 Energy: 0.6900634685099946 Energy: 0.8386592055848172 Energy: 0.6900634685099946 Energy: 2.0119631285246298 Energy: 0.6889814359844917 Energy: 0.8400339054783211 Energy: 0.6889814359857087 Energy: 1.8760272784366863 Energy: 0.6897809505721691 Energy: 0.8379637783776462 Energy: 0.6897809505721691 Energy: 1.6213669681185092 Energy: 0.6892570283580062 Energy: 0.6894851918932509 Energy: 0.6892570283573977 Energy: 2.00931723000861 Energy: 0.6895716226030332 Energy: 0.6897688874705765 Energy: 0.6895716226030332 Energy: 1.7483220177553946 Energy: 0.6892432514850039 Energy: 0.689511868839674 Energy: 0.6892432514856124 minimum gb energy = 0.6886973344154882 eV minimum distance = 2.22875338531642 Angstroms sigma value = 113 ======================================== theta = 90.0 ======================================== Energy: 0.02035687891019327 Energy: 0.021103005711822005 Energy: 1.6188670281427548 Energy: 0.7243548333434124 Energy: 0.021391968496381076 Energy: 0.16872432409160343 Energy: 1.0623774131307917 Energy: 0.168724324092487 Energy: 0.021406887515901526 Energy: 0.1661575955343798 Energy: 1.0598124760199856 Energy: 0.16615759553573117 Energy: 0.022954540492647366 Energy: 0.16887999825287178 Energy: 1.061899468892643 Energy: 0.16887999825105268 Energy: 1.0601591716272862 Energy: 0.16884811061066055 Energy: 1.0599934580568808 Energy: 0.16884811061066055 Energy: 0.02102807932431745 Energy: 0.16628424321209492 Energy: 1.0599597489205397 Energy: 0.16628424321162713 minimum gb energy = 0.02035687891019327 eV minimum distance = 2.45569464666204 Angstroms sigma value = 1