Model name: model_name=EAM_CubicNaturalSpline_ErcolessiAdams_1994_Al__MO_800509458712_002 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.032082748413087 cohesive_energy=3.3602642540094405 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.0127868346670701 Energy: 0.2308254521659502 Energy: 0.3691483279284296 Energy: 0.230722506121519 Energy: 0.012786834666887141 Energy: 0.2308254521655614 Energy: 0.36914832792984753 Energy: 0.25081068384075156 Energy: 0.013140867616904563 Energy: 0.12076593047366158 Energy: 0.01329156310274397 Energy: 0.2508106838421695 Energy: 0.013140867615097872 Energy: 0.12076593047466783 Energy: 0.012786834667275922 Energy: 0.230825452166156 Energy: 0.3691483279284296 Energy: 0.2307225061213132 Energy: 0.0127868346670701 Energy: 0.2308254521655614 Energy: 0.36914832792984753 Energy: 0.25081068384075156 Energy: 0.013140867616698734 Energy: 0.12076593047366158 Energy: 0.013291563102926927 Energy: 0.2508106838423753 Energy: 0.013140867615486653 Energy: 0.12076593047466783 Energy: 0.012786834667275922 Energy: 0.230825452166156 Energy: 0.5036162482779548 Energy: 0.2307225061213132 Energy: 0.012786834666887141 Energy: 0.23082545216514974 Energy: 0.5036162482767427 Energy: 0.2508106838405458 Energy: 0.013140867616904563 Energy: 0.12076593047386738 Energy: 0.013291563102538146 Energy: 0.2508106838421695 Energy: 0.013140867615280827 Energy: 0.12076593047466783 minimum gb energy = 0.012786834666887141 eV minimum distance = 2.82565782650906 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.5782710974131026 Energy: 0.5787617870234738 Energy: 0.5990085210318332 Energy: 0.578660683945563 Energy: 0.5782710974131026 Energy: 0.5787617870234738 Energy: 0.5990085210195398 Energy: 0.5298843753236913 Energy: 0.5633317350372491 Energy: 0.5451916532067802 Energy: 0.5545277272065079 Energy: 0.5298843753089392 Energy: 0.5633317350421664 Energy: 0.5451916532043215 Energy: 0.5315234308067595 Energy: 0.5384071331188467 Energy: 0.5690507406968146 Energy: 0.5373069175853409 Energy: 0.531523430809218 Energy: 0.538407133123764 Energy: 0.5690507406943559 Energy: 0.5719542574396119 Energy: 0.5598839710979151 Energy: 0.5980590587791708 Energy: 0.5450286484796933 Energy: 0.571954257432236 Energy: 0.5598839711028324 Energy: 0.598059058769336 Energy: 0.5300512021069903 Energy: 0.5216923260710797 Energy: 0.5229251697873971 Energy: 0.5537689358711692 Energy: 0.530051202102073 Energy: 0.521692326061245 Energy: 0.5229251697898557 Energy: 0.5400416735689649 Energy: 0.5631257155768249 Energy: 0.5415669811422839 Energy: 0.5550821374246312 Energy: 0.5400416735714236 Energy: 0.5631257155743662 Energy: 0.5415669811324492 Energy: 0.5255776460512727 Energy: 0.5501555783839617 Energy: 0.6047046163772511 Energy: 0.5775530263157662 Energy: 0.5255776460561902 Energy: 0.5501555783864204 Energy: 0.6047046163772511 Energy: 0.5246867027945218 Energy: 0.5411113434463283 Energy: 0.6114986666069594 Energy: 0.5488174254983818 Energy: 0.5246867028043565 Energy: 0.5411113434487869 Energy: 0.6114986666069594 Energy: 0.5234319771721817 Energy: 0.5445307557106924 Energy: 0.582196770504511 Energy: 0.5401217308280966 Energy: 0.5234319771697231 Energy: 0.5445307557156097 Energy: 0.5821967704947211 Energy: 0.5314219313187182 Energy: 0.56909568708217 Energy: 0.5808575501658714 Energy: 0.5396450240474401 Energy: 0.5314219313211769 Energy: 0.569095687074794 Energy: 0.5808575501584953 Energy: 0.5376669251179423 Energy: 0.5472468627938205 Energy: 0.5377095915326013 Energy: 0.5594922508352104 Energy: 0.537666925113025 Energy: 0.5472468628036552 Energy: 0.5377095915252253 Energy: 0.5533834040559261 Energy: 0.5730782184546491 Energy: 0.5544149145222416 Energy: 0.5392791717954736 Energy: 0.5533834040633021 Energy: 0.5730782184644839 Energy: 0.5544149145247003 Energy: 0.5912533864152155 Energy: 0.5602013487916949 Energy: 0.5862336654010633 Energy: 0.5455099829591151 Energy: 0.5912533864201328 Energy: 0.560201348799071 Energy: 0.5862336654133568 Energy: 0.5311808462667698 Energy: 0.5651541158352996 Energy: 0.5661316996345028 Energy: 0.5375553827216548 Energy: 0.5311808462667698 Energy: 0.565154115832841 Energy: 0.5661316996369615 Energy: 0.5389053042698229 Energy: 0.5358856088720956 Energy: 0.5843624266858239 Energy: 0.527508768336367 Energy: 0.5389053042747404 Energy: 0.5358856088622608 Energy: 0.5843624266735306 Energy: 0.5581882222056249 Energy: 0.5717834633597061 Energy: 0.5734527408194454 Energy: 0.5837503874357621 Energy: 0.5581882222105423 Energy: 0.5717834633572474 Energy: 0.5734527408219041 Energy: 0.5355230144399657 Energy: 0.5410359956592938 Energy: 0.5485629542675017 Energy: 0.5555760189927078 Energy: 0.5355230144498005 Energy: 0.5410359956666698 Energy: 0.5485629542699603 Energy: 0.5276831877624097 Energy: 0.526918037427089 Energy: 0.583814563708807 Energy: 0.5418812446336236 Energy: 0.5276831877673273 Energy: 0.5269180374344652 Energy: 0.5838145637038898 Energy: 0.5441255372559533 Energy: 0.5346662907376138 Energy: 0.6291971186573379 Energy: 0.5447782939330291 Energy: 0.5441255372461185 Energy: 0.5346662907376138 Energy: 0.6291971186573379 Energy: 0.5345033582656772 Energy: 0.52309596038581 Energy: 0.5581816015399748 Energy: 0.5582196815964071 Energy: 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0.5647187282731407 Energy: 0.5891054884937963 Energy: 0.5457854287420143 Energy: 0.5312183726921929 Energy: 0.5647187282731407 Energy: 0.5891054884913376 Energy: 0.5410063542523321 Energy: 0.5500275756384199 Energy: 0.5924458619133289 Energy: 0.531962329088732 Energy: 0.5410063542621668 Energy: 0.5500275756286298 Energy: 0.5924458619182464 Energy: 0.5381492354287762 Energy: 0.5477531028086625 Energy: 0.6096410485607374 Energy: 0.5334296977070088 Energy: 0.5381492354263177 Energy: 0.5477531028012865 Energy: 0.6096410485754894 Energy: 0.5447610478594477 Energy: 0.5328844856077652 Energy: 0.601269844387435 Energy: 0.5489481498531349 Energy: 0.5447610478619064 Energy: 0.5328844856273899 Energy: 0.6012698443923523 Energy: 0.5286816204491251 Energy: 0.5345805101580798 Energy: 0.5752928135775683 Energy: 0.56723591925029 Energy: 0.5286816204442079 Energy: 0.5345805101433277 Energy: 0.5752928135751098 Energy: 0.5326704666982227 Energy: 0.5693844975284371 Energy: 0.5866717996046273 Energy: 0.5359306109766272 Energy: 0.5326704667055987 Energy: 0.5693844975308958 Energy: 0.5866717996070859 Energy: 0.520301407097853 Energy: 0.544918000501124 Energy: 0.5949737401590592 Energy: 0.5347704664565919 Energy: 0.520301407097853 Energy: 0.544918000501124 Energy: 0.5949737401516831 Energy: 0.5300676447983517 Energy: 0.5406929408623625 Energy: 0.5686453389047242 Energy: 0.5384758250028996 Energy: 0.5300676448008105 Energy: 0.5406929408599038 Energy: 0.568645338889972 Energy: 0.545398413929317 Energy: 0.5416632322079609 Energy: 0.5769580222573262 Energy: 0.5455703697568302 Energy: 0.5453984139219856 Energy: 0.5416632322055023 Energy: 0.5769580222573262 Energy: 0.5558752433458504 Energy: 0.5849259244880175 Energy: 0.5585089521094541 Energy: 0.5643713463427169 Energy: 0.555875243340933 Energy: 0.5849259244929349 Energy: 0.5585089521192886 Energy: 0.5609085364009493 Energy: 0.5297721073329036 Energy: 0.5782129712819475 Energy: 0.5576982738486045 Energy: 0.560908536410784 Energy: 0.529772107330445 Energy: 0.5782129712770301 Energy: 0.5548659897507999 Energy: 0.5322014271369024 Energy: 0.5660194290641559 Energy: 0.5488280044432233 Energy: 0.5548659897581758 Energy: 0.53220142714182 Energy: 0.5660194290666146 Energy: 0.5832129400504434 Energy: 0.5446387283298606 Energy: 0.5717018899743542 Energy: 0.6022845587876334 Energy: 0.5832129400430676 Energy: 0.5446387283298606 Energy: 0.5717018899792716 Energy: 0.5560891236148146 Energy: 0.5482993740086909 Energy: 0.5668676252593945 Energy: 0.5639807463704053 Energy: 0.5560891236074832 Energy: 0.5482993739915248 Energy: 0.5668676252667258 Energy: 0.5201988483009778 Energy: 0.5330118475317749 Energy: 0.5793728354593207 Energy: 0.5501563085098117 Energy: 0.5201988482985191 Energy: 0.5330118475194816 Energy: 0.5793728354593207 Energy: 0.5312335933844373 Energy: 0.5573360285063296 Energy: 0.6084819241204236 Energy: 0.5461620259775612 Energy: 0.5312335933868513 Energy: 0.557336028511247 Energy: 0.6084819241155064 Energy: 0.5233647150504799 Energy: 0.5652003902195207 Energy: 0.6001111786332397 Energy: 0.5378751482888994 Energy: 0.5233647150553973 Energy: 0.5652003902096859 Energy: 0.6001111786356983 minimum gb energy = 0.5201988482985191 eV minimum distance = 2.56670929311599 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.5622612352816926 Energy: 0.5940861514221459 Energy: 0.6166523170162475 Energy: 0.5754100637331848 Energy: 0.5622612352803225 Energy: 0.5940861514260531 Energy: 0.6166523170156892 Energy: 0.5322706205274002 Energy: 0.5787932501684651 Energy: 0.5746143305658374 Energy: 0.5648492316455885 Energy: 0.5322706205248631 Energy: 0.578793250169835 Energy: 0.5542933434610577 Energy: 0.5228597465484378 Energy: 0.5459732531286912 Energy: 0.5725022434120207 Energy: 0.5485858834249848 Energy: 0.5228597465515331 Energy: 0.5459732531292493 Energy: 0.5725022434145072 Energy: 0.5401981168963274 Energy: 0.5471158608107274 Energy: 0.5675439484216225 Energy: 0.5400964706186112 Energy: 0.5401981168913039 Energy: 0.5471158608171209 Energy: 0.5675439484169034 Energy: 0.5401748722242891 Energy: 0.5508152067812417 Energy: 0.5656555468638794 Energy: 0.5738076919098976 Energy: 0.5401748722248472 Energy: 0.550815206782358 Energy: 0.5656555468641838 Energy: 0.5150026041388235 Energy: 0.5469371353160563 Energy: 0.5324778351881873 Energy: 0.5798714476284573 Energy: 0.515002604137707 Energy: 0.5469371353104744 Energy: 0.5324778351867666 Energy: 0.5102825442668294 Energy: 0.5456833859484417 Energy: 0.6041248127265233 Energy: 0.5272597699007878 Energy: 0.5102825442743901 Energy: 0.5456833859492537 Energy: 0.604124812725407 Energy: 0.5129555617937367 Energy: 0.5183008561664874 Energy: 0.6235767760831956 Energy: 0.5474771207426107 Energy: 0.5129555618004348 Energy: 0.5183008561612101 Energy: 0.623576776081521 Energy: 0.5210695025836642 Energy: 0.5804215728736394 Energy: 0.5560459119368214 Energy: 0.5461412169237673 Energy: 0.5210695025828017 Energy: 0.5804215728778511 Energy: 0.5572488393634908 Energy: 0.5389990783101473 Energy: 0.5859765075309468 Energy: 0.5612075993793937 Energy: 0.5450523832892333 Energy: 0.5389990783059864 Energy: 0.585976507530135 Energy: 0.5612075993785818 Energy: 0.5366752260559422 Energy: 0.5481285177583758 Energy: 0.5552006351980372 Energy: 0.5244783225652201 Energy: 0.5366752260537095 Energy: 0.5481285177555849 Energy: 0.5657142115531231 Energy: 0.522714231452687 Energy: 0.5461969992481086 Energy: 0.5702702307351828 Energy: 0.5451522400914278 Energy: 0.5227142314518751 Energy: 0.5461969992442014 Energy: 0.5592886211571503 Energy: 0.5386341003859325 Energy: 0.5705001748555241 Energy: 0.5792651781337065 Energy: 0.5819210211503156 Energy: 0.5386341003906516 Energy: 0.5705001748549658 Energy: 0.5792651781311693 Energy: 0.5426598228289665 Energy: 0.5940861514221459 Energy: 0.6130417745802715 Energy: 0.5754100637348591 Energy: 0.5426598228281547 Energy: 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0.5102825442665757 Energy: 0.5456833859481373 Energy: 0.6041248127265233 Energy: 0.527259769901904 Energy: 0.5102825442746438 Energy: 0.5456833859495581 Energy: 0.6041248127231742 Energy: 0.5129555617959695 Energy: 0.5183008561636966 Energy: 0.6235767760834493 Energy: 0.5474771207451478 Energy: 0.5129555618021093 Energy: 0.518300856162022 Energy: 0.6235767760817746 Energy: 0.5210695025825479 Energy: 0.5804215728728276 Energy: 0.5658190541965805 Energy: 0.5461412169229046 Energy: 0.5210695025811272 Energy: 0.5804215728769885 Energy: 0.5543035378062329 Energy: 0.5389990783079145 Energy: 0.5859765075306931 Energy: 0.5548125755305983 Energy: 0.5450523832883706 Energy: 0.5389990783051237 Energy: 0.5859765075284603 Energy: 0.5567638649599163 Energy: 0.5366752260548258 Energy: 0.5472261720772801 Energy: 0.5574687755326642 Energy: 0.5244783225668945 Energy: 0.536675226053405 Energy: 0.5472261720797666 Energy: 0.5574687755368251 Energy: 0.5229011344824633 Energy: 0.5461969992481086 Energy: 0.5705901520784841 Energy: 0.5451522400911235 Energy: 0.5229011344802307 Energy: 0.5461969992433895 Energy: 0.5705901520857403 Energy: 0.5347668585866548 Energy: 0.5705001748555241 Energy: 0.5862958293551704 Energy: 0.5819210211497574 Energy: 0.5347668585847267 Energy: 0.5705001748566404 Energy: 0.5862958293495887 Energy: 0.5622612352811344 Energy: 0.5940861514218415 Energy: 0.6157518905205954 Energy: 0.5754100637351129 Energy: 0.5622612352797642 Energy: 0.5940861514240742 Energy: 0.6157518905191748 Energy: 0.5322706205296329 Energy: 0.5787932501684651 Energy: 0.5796290572201023 Energy: 0.5648492316452841 Energy: 0.532270620526842 Energy: 0.5787932501684651 Energy: 0.5796290572212186 Energy: 0.5228597465473215 Energy: 0.5459732531284374 Energy: 0.5784552529699476 Energy: 0.5485858834264056 Energy: 0.5228597465520913 Energy: 0.5459732531281329 Energy: 0.5784552529702013 Energy: 0.5401981168963274 Energy: 0.5471158608126556 Energy: 0.5774355469461319 Energy: 0.5400964706177485 Energy: 0.5401981168924201 Energy: 0.5471158608179836 Energy: 0.5774355469419203 Energy: 0.5401748722245427 Energy: 0.5508152067826118 Energy: 0.5718996020362579 Energy: 0.5738076919107602 Energy: 0.5401748722242891 Energy: 0.5508152067845907 Energy: 0.5718996020332133 Energy: 0.5150026041401935 Energy: 0.5469371353166143 Energy: 0.5551885013776149 Energy: 0.5798714476284573 Energy: 0.5150026041393816 Energy: 0.5469371353093581 Energy: 0.5551885013773611 Energy: 0.510282544267692 Energy: 0.545683385950928 Energy: 0.6041248127278933 Energy: 0.5272597698999252 Energy: 0.5102825442743901 Energy: 0.5456833859506743 Energy: 0.604124812725407 Energy: 0.512955561794853 Energy: 0.5183008561628847 Energy: 0.623576776085682 Energy: 0.547477120743727 Energy: 0.5129555618004348 Energy: 0.5183008561603475 Energy: 0.6235767760845656 Energy: 0.5210695025833598 Energy: 0.5804215728730813 Energy: 0.5601692089687358 Energy: 0.5461412169248835 Energy: 0.5210695025816854 Energy: 0.5804215728764303 Energy: 0.5601692089681776 Energy: 0.5389990783087771 Energy: 0.5859765075292723 Energy: 0.5530566239890558 Energy: 0.5450523832883706 Energy: 0.5389990783056818 Energy: 0.5859765075273441 Energy: 0.5530566239948911 Energy: 0.5366752260561959 Energy: 0.5481285177563968 Energy: 0.5574687755329178 Energy: 0.5244783225674527 Energy: 0.5366752260522887 Energy: 0.548128517756955 Energy: 0.557468775535455 Energy: 0.5227142314524333 Energy: 0.5461969992469922 Energy: 0.5540933460239568 Energy: 0.5451522400908697 Energy: 0.5227142314521289 Energy: 0.546196999242273 Energy: 0.5540933460220285 Energy: 0.5386341003861862 Energy: 0.5705001748549658 Energy: 0.5862958293562869 Energy: 0.5819210211497574 Energy: 0.538634100390956 Energy: 0.5705001748560822 Energy: 0.5862958293490305 Energy: 0.5426598228289665 Energy: 0.5940861514212833 Energy: 0.6157518905217119 Energy: 0.5754100637345547 Energy: 0.5426598228281547 Energy: 0.5940861514249369 Energy: 0.6157518905208492 Energy: 0.5322706205282122 Energy: 0.5787932501695813 Energy: 0.5796290572184278 Energy: 0.536311876625998 Energy: 0.5322706205259794 Energy: 0.5787932501687186 Energy: 0.579629057219544 minimum gb energy = 0.5102825442665757 eV minimum distance = 2.54168790092804 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.5763375724374986 Energy: 0.5474174829640313 Energy: 0.5967051800269582 Energy: 0.5561247040435783 Energy: 0.5763375724374986 Energy: 0.547417482963709 Energy: 0.5967051800259914 Energy: 0.5507845026685969 Energy: 0.553526669875796 Energy: 0.5964530237933773 Energy: 0.5501226521935496 Energy: 0.550784502669886 Energy: 0.5535266698780518 Energy: 0.5964530237933773 Energy: 0.5505823934143512 Energy: 0.5476453115066813 Energy: 0.5978456733348991 Energy: 0.5489887050573266 Energy: 0.55058239341274 Energy: 0.5476453115070036 Energy: 0.5978456733358659 Energy: 0.5359909843499356 Energy: 0.5382275351695619 Energy: 0.6209988960002062 Energy: 0.5258650827315581 Energy: 0.5359909843521915 Energy: 0.5382275351702065 Energy: 0.6209988960027842 Energy: 0.5638716735368733 Energy: 0.5388076570373027 Energy: 0.5833034742039758 Energy: 0.5608429755558034 Energy: 0.5638716735359065 Energy: 0.5388076570363359 Energy: 0.5833034742059094 Energy: 0.5444498047918179 Energy: 0.5397983154727707 Energy: 0.5791994486166635 Energy: 0.5449803158343217 Energy: 0.5444498047905288 Energy: 0.5397983154750264 Energy: 0.5791994486179525 Energy: 0.5462284040187717 Energy: 0.5413958884630037 Energy: 0.5605864132404436 Energy: 0.5622146942660174 Energy: 0.5462284040178049 Energy: 0.5413958884626815 Energy: 0.5605864132397992 Energy: 0.55384695632704 Energy: 0.5483992292539391 Energy: 0.6493191408664026 Energy: 0.5514381318042408 Energy: 0.553846956325751 Energy: 0.5483992292536168 Energy: 0.6493191408660804 Energy: 0.5508592876469196 Energy: 0.53653488241957 Energy: 0.5985168540923304 Energy: 0.5522696036053549 Energy: 0.550859287647564 Energy: 0.5365348824198923 Energy: 0.5985168540916859 Energy: 0.5530016846302603 Energy: 0.5488552920616138 Energy: 0.6055650762428415 Energy: 0.5364953078210707 Energy: 0.5530016846296159 Energy: 0.5488552920612915 Energy: 0.6055650762412303 Energy: 0.5834112452247793 Energy: 0.5655100883658624 Energy: 0.5821042035268572 Energy: 0.5436438287741342 Energy: 0.5834112452257461 Energy: 0.5655100883655402 Energy: 0.5821042035284686 Energy: 0.5693722736166904 Energy: 0.5609706746398206 Energy: 0.5891801702322562 Energy: 0.5882227423772189 Energy: 0.5693722736147568 Energy: 0.5609706746398206 Energy: 0.5891801702332085 Energy: 0.541500496290405 Energy: 0.5561923844415015 Energy: 0.5893016939921683 Energy: 0.5400557245847625 Energy: 0.5415004962913718 Energy: 0.5561923844415015 Energy: 0.5893016939915237 Energy: 0.540524620000064 Energy: 0.5525266229496024 Energy: 0.5931942543424125 Energy: 0.5444345362958868 Energy: 0.5405246199990972 Energy: 0.5525266229508914 Energy: 0.5931942543395121 Energy: 0.569520336737627 Energy: 0.5386745182750005 Energy: 0.6155707635618631 Energy: 0.5601306643946856 Energy: 0.5695203367366602 Energy: 0.5386745182730669 Energy: 0.6155707635615408 Energy: 0.5789075985323566 Energy: 0.553269470566575 Energy: 0.6020250265197147 Energy: 0.5491628731533318 Energy: 0.5789075985346125 Energy: 0.5532694705672195 Energy: 0.6020250265184257 Energy: 0.556272031612077 Energy: 0.542813008157632 Energy: 0.5856227012383975 Energy: 0.5436038470085657 Energy: 0.5562720316117546 Energy: 0.5428130081582765 Energy: 0.5856227012367862 Energy: 0.5475027090934311 Energy: 0.5368888071200445 Energy: 0.6296130535314788 Energy: 0.5570327077240314 Energy: 0.5475027090927865 Energy: 0.5368888071203668 Energy: 0.6296130535324456 Energy: 0.5447223724823234 Energy: 0.5412204037469374 Energy: 0.5994383440265958 Energy: 0.549585538607462 Energy: 0.5447223724816789 Energy: 0.5412204037479041 Energy: 0.599438344026918 Energy: 0.5526696149801891 Energy: 0.5409307815646598 Energy: 0.6066057728756009 Energy: 0.5677029834274191 Energy: 0.5526696149824156 Energy: 0.5409307815659489 Energy: 0.6066057728749563 Energy: 0.539929612468822 Energy: 0.5547173850688746 Energy: 0.6094891421598619 Energy: 0.5356436768700872 Energy: 0.5399296124668884 Energy: 0.554717385070486 Energy: 0.615805360987946 Energy: 0.5546590090305074 Energy: 0.5669128357120511 Energy: 0.5732632699053108 Energy: 0.5379232023298673 Energy: 0.5546590090288961 Energy: 0.5669128357117289 Energy: 0.5732632699020882 Energy: 0.5571164498008228 Energy: 0.5367459762409384 Energy: 0.5906506962561018 Energy: 0.53444227532909 Energy: 0.5571164497988893 Energy: 0.5367459762438389 Energy: 0.5906506962577129 Energy: 0.5511286291658856 Energy: 0.5497212070103612 Energy: 0.6188715122806102 Energy: 0.5361946121255908 Energy: 0.5511286291642744 Energy: 0.5497212070106835 Energy: 0.6188715122802878 Energy: 0.5435658933752862 Energy: 0.5344070815177157 Energy: 0.5622847153950716 Energy: 0.5422247074681019 Energy: 0.5435658933743195 Energy: 0.5344070815177157 Energy: 0.5622847153957162 Energy: 0.576065315570823 Energy: 0.5592402412218297 Energy: 0.5917144546506967 Energy: 0.5611660103146064 Energy: 0.5760653155717896 Energy: 0.5592402412224743 Energy: 0.5917144546513413 Energy: 0.5879723185699189 Energy: 0.5425429378601189 Energy: 0.5909380782498379 Energy: 0.5552906342454477 Energy: 0.5879723185702411 Energy: 0.5425429378623746 Energy: 0.590938078251127 Energy: 0.5669022366854052 Energy: 0.5604791087198143 Energy: 0.5964848658787966 Energy: 0.547311331675698 Energy: 0.5669022366850829 Energy: 0.560479108719492 Energy: 0.5964848658781522 Energy: 0.5428201343595572 Energy: 0.5483460037787541 Energy: 0.6011766891474715 Energy: 0.549443509782691 Energy: 0.5428201343611686 Energy: 0.5483460037784318 Energy: 0.6011766891458601 Energy: 0.5474661742658632 Energy: 0.5447708435738576 Energy: 0.6102740046175271 Energy: 0.5616747480591239 Energy: 0.5474661742661855 Energy: 0.544770843573213 Energy: 0.6102740046168825 Energy: 0.5391448031666263 Energy: 0.5392277014109399 Energy: 0.6210603519811783 Energy: 0.5619040141450128 Energy: 0.5391448031634037 Energy: 0.5392277014096509 Energy: 0.6210603519831117 Energy: 0.5476023197266224 Energy: 0.5399284142571328 Energy: 0.5955025837036827 Energy: 0.5397321170378292 Energy: 0.5476023197256557 Energy: 0.5399284142564884 Energy: 0.5955025837040049 Energy: 0.550185671602874 Energy: 0.54061971786276 Energy: 0.5450723481555704 Energy: 0.5407655291329209 Energy: 0.5501856716019072 Energy: 0.5406197178617932 Energy: 0.5450723481539591 Energy: 0.5533489209610951 Energy: 0.5667690431470865 Energy: 0.6403719662639099 Energy: 0.5497997455939662 Energy: 0.5533489209607728 Energy: 0.5667690431454753 Energy: 0.6403719662632653 Energy: 0.5515754016395229 Energy: 0.548097689328751 Energy: 0.5970830471237737 Energy: 0.5534867776096161 Energy: 0.5515754016417788 Energy: 0.5480976893300401 Energy: 0.5970830471244182 Energy: 0.5530372580001304 Energy: 0.5501141306845488 Energy: 0.5942254688297252 Energy: 0.5568144274623289 Energy: 0.5530372580007749 Energy: 0.5501141306826153 Energy: 0.5942254688290808 minimum gb energy = 0.5258650827315581 eV minimum distance = 2.54738949016902 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.5317234857395237 Energy: 0.526418381734408 Energy: 0.5987083521902444 Energy: 0.5264263299149068 Energy: 0.5317234857361007 Energy: 0.5264183817328867 Energy: 0.5987083521894837 Energy: 0.5150244449847046 Energy: 0.5342061246884874 Energy: 0.5085703649237505 Energy: 0.534293559555269 Energy: 0.5150244449866062 Energy: 0.5342061246892481 Energy: 0.5085703649229899 Energy: 0.5316840880054916 Energy: 0.5033457088555102 Energy: 0.5732051473559667 Energy: 0.5113077308734848 Energy: 0.5316840880066326 Energy: 0.5033457088638775 Energy: 0.5732051473571077 Energy: 0.5339349041092885 Energy: 0.5342384905031281 Energy: 0.5095057846783511 Energy: 0.5681529332971514 Energy: 0.5339349041092885 Energy: 0.534238490511115 Energy: 0.5095057846783511 Energy: 0.5621672839457018 Energy: 0.5106411069600543 Energy: 0.5495756092184598 Energy: 0.5113842661307442 Energy: 0.5621672839468428 Energy: 0.5106411069589133 Energy: 0.5495756092207418 Energy: 0.5354952437249998 Energy: 0.5183794869627817 Energy: 0.6126754422106618 Energy: 0.5178358212923987 Energy: 0.5354952437223375 Energy: 0.5183794869616406 Energy: 0.6126754422121831 Energy: 0.5914864067261689 Energy: 0.5693884671596291 Energy: 0.5433013086384814 Energy: 0.51153250935327 Energy: 0.5914864067269295 Energy: 0.5693884671641931 Energy: 0.5433013086373404 Energy: 0.5362820847028199 Energy: 0.5143085188052141 Energy: 0.6068941896600598 Energy: 0.5142911289843165 Energy: 0.5362820847001576 Energy: 0.5143085188082221 Energy: 0.6068941896573975 Energy: 0.5909621510190726 Energy: 0.5115123397012893 Energy: 0.5537377432644782 Energy: 0.569636457075259 Energy: 0.590962151017171 Energy: 0.5115123396990072 Energy: 0.5537377432621963 Energy: 0.5354653701430747 Energy: 0.51785479936635 Energy: 0.6126583470861624 Energy: 0.5183731550954317 Energy: 0.5354653701392714 Energy: 0.5178547993648287 Energy: 0.6126583470823938 Energy: 0.5622166167929267 Energy: 0.5112408375601487 Energy: 0.6036472143365893 Energy: 0.5106373445806556 Energy: 0.5622166167906447 Energy: 0.5112408375578668 Energy: 0.6036472143365893 Energy: 0.5352602847196918 Energy: 0.5177925317682409 Energy: 0.5093180025276108 Energy: 0.5341272320048436 Energy: 0.5352602847219737 Energy: 0.5177925317690015 Energy: 0.5093180025306534 Energy: 0.5315168708432367 Energy: 0.5114332494022245 Energy: 0.5476891494556474 Energy: 0.5032032171834577 Energy: 0.531516870844758 Energy: 0.5114332494007378 Energy: 0.5476891494567885 Energy: 0.5150191835380268 Energy: 0.5343086701892084 Energy: 0.5088713517225383 Energy: 0.5341787395364961 Energy: 0.5150191835338432 Energy: 0.5343086701971953 Energy: 0.5088713517225383 Energy: 0.531723485741045 Energy: 0.5264183817347884 Energy: 0.626420182618981 Energy: 0.5264263299156675 Energy: 0.5317234857372417 Energy: 0.5264183817325063 Energy: 0.626420182618981 Energy: 0.5150244449850848 Energy: 0.5342061246907693 Energy: 0.5085703649229899 Energy: 0.5342935595579315 Energy: 0.5150244449877471 Energy: 0.5342061246911496 Energy: 0.5085703649210883 Energy: 0.5316840880051112 Energy: 0.5033457088558906 Energy: 0.5816653586709856 Energy: 0.5113077308734848 Energy: 0.5316840880062522 Energy: 0.5033457088634973 Energy: 0.5816653586652805 Energy: 0.5339349041100492 Energy: 0.5342384905027479 Energy: 0.50950578467721 Energy: 0.5681529332963907 Energy: 0.5339349041085278 Energy: 0.534238490512256 Energy: 0.5095057846779706 Energy: 0.5621672839457018 Energy: 0.510641106959674 Energy: 0.5115786397723006 Energy: 0.5113842661299834 Energy: 0.5621672839468428 Energy: 0.5106411069592937 Energy: 0.5115786397757236 Energy: 0.5354952437249998 Energy: 0.5183794869639227 Energy: 0.6126754422099011 Energy: 0.5178358212916381 Energy: 0.5354952437227178 Energy: 0.5183794869612605 Energy: 0.6126754422118027 Energy: 0.5914864067257886 Energy: 0.5693884671603898 Energy: 0.5310318808219255 Energy: 0.5115325093540306 Energy: 0.59148640672731 Energy: 0.5693884671649538 Energy: 0.5310318808283913 Energy: 0.5362820847028199 Energy: 0.5143085188025518 Energy: 0.6068941896600598 Energy: 0.5142911289835559 Energy: 0.5362820847001576 Energy: 0.5143085188078418 Energy: 0.6068941896577779 Energy: 0.5909621510194527 Energy: 0.5115123396986269 Energy: 0.537171924260682 Energy: 0.569636457075259 Energy: 0.5909621510190726 Energy: 0.5115123396990072 Energy: 0.5371719242599214 Energy: 0.5354653701430747 Energy: 0.5178547993655893 Energy: 0.6126583470873034 Energy: 0.51837315509353 Energy: 0.5354653701392714 Energy: 0.5178547993652091 Energy: 0.6126583470831544 Energy: 0.5622166167921661 Energy: 0.5112408375605291 Energy: 0.5134460708808245 Energy: 0.5106373445802752 Energy: 0.5622166167902644 Energy: 0.5112408375582471 Energy: 0.5134460708804441 Energy: 0.5352602847196918 Energy: 0.5177925317682409 Energy: 0.5093180025272305 Energy: 0.5341272320052238 Energy: 0.5352602847223541 Energy: 0.5177925317712835 Energy: 0.5093180025295124 Energy: 0.5315168708443777 Energy: 0.5114332494022245 Energy: 0.5688885711095055 Energy: 0.5032032171830775 Energy: 0.531516870844758 Energy: 0.5114332494003575 Energy: 0.5688885711045613 Energy: 0.5150191835372662 Energy: 0.5343086701888279 Energy: 0.5088713517225383 Energy: 0.5341787395380173 Energy: 0.5150191835327023 Energy: 0.5343086701952936 Energy: 0.5088713517232989 Energy: 0.531723485739904 Energy: 0.5264183817340277 Energy: 0.5631655354982137 Energy: 0.5264263299149068 Energy: 0.5317234857357205 Energy: 0.5264183817328867 Energy: 0.5631655354974531 Energy: 0.5150244449847046 Energy: 0.5342061246884874 Energy: 0.5085703649237505 Energy: 0.5342935595560296 Energy: 0.5150244449866062 Energy: 0.5342061246896285 Energy: 0.5085703649229899 minimum gb energy = 0.5032032171830775 eV minimum distance = 2.61451369703024 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.519544260218748 Energy: 0.5748608739660496 Energy: 0.5581356252728444 Energy: 0.5748829740045254 Energy: 0.5195442602178245 Energy: 0.5748608739642027 Energy: 0.5581356252709976 Energy: 0.5370296561917349 Energy: 0.5047505716597118 Energy: 0.5554543625339332 Energy: 0.5073506570128747 Energy: 0.5370296561917349 Energy: 0.5047505716620204 Energy: 0.5554543625339332 Energy: 0.5195035687474289 Energy: 0.5361299630674257 Energy: 0.5324956655744277 Energy: 0.525106009924658 Energy: 0.5195035687474289 Energy: 0.5361299630651171 Energy: 0.5324956655762746 Energy: 0.531401059476028 Energy: 0.5142695036107501 Energy: 0.5896932116295315 Energy: 0.5137227991809262 Energy: 0.531401059474181 Energy: 0.5142695036089032 Energy: 0.5896932116262996 Energy: 0.5049245724986082 Energy: 0.5412739661762384 Energy: 0.4959132236326468 Energy: 0.5229135471966985 Energy: 0.5049245724995316 Energy: 0.5412739661776026 Energy: 0.5218838899056285 Energy: 0.5313055062121781 Energy: 0.5295797348775358 Energy: 0.5317151074550702 Energy: 0.520493698039542 Energy: 0.5313055062126398 Energy: 0.5295797348747657 Energy: 0.5317151074573787 Energy: 0.5232426777778919 Energy: 0.5413310605821187 Energy: 0.5675176371009417 Energy: 0.5096575247704632 Energy: 0.5232426777760452 Energy: 0.5413310605821187 Energy: 0.5675176371000183 Energy: 0.524207073670611 Energy: 0.5071207646789366 Energy: 0.5313634684303287 Energy: 0.5202396252040967 Energy: 0.5242070736692259 Energy: 0.5071207646803217 Energy: 0.531363468428482 Energy: 0.523355626658928 Energy: 0.5185916093186455 Energy: 0.5544929822870485 Energy: 0.5279507969635681 Energy: 0.523355626658928 Energy: 0.5185916093172603 Energy: 0.5544929822884336 Energy: 0.5201956718238243 Energy: 0.5277882881244466 Energy: 0.5477738590495477 Energy: 0.5196153159004677 Energy: 0.5201956718229008 Energy: 0.5277882881262934 Energy: 0.5477738590495477 Energy: 0.5299673121179819 Energy: 0.5357476342881168 Energy: 0.5554587820890584 Energy: 0.514916300849869 Energy: 0.5299673121189054 Energy: 0.5357476342904254 Energy: 0.5557691612728691 Energy: 0.492512616197859 Energy: 0.5232814420784367 Energy: 0.5326771352121515 Energy: 0.503448014001672 Energy: 0.4925126161982997 Energy: 0.5232814420793602 Energy: 0.532677135213075 Energy: 0.5533063349924079 Energy: 0.5255619966100855 Energy: 0.5472417830557844 Energy: 0.516173507442587 Energy: 0.553306334993793 Energy: 0.5255619966147026 Energy: 0.5394510475791469 Energy: 0.4942780634631102 Energy: 0.5243699822239137 Energy: 0.5293729476831083 Energy: 0.5077833126647583 Energy: 0.49427806346634207 Energy: 0.5243699822211434 Energy: 0.5293729476840318 Energy: 0.5461740757464477 Energy: 0.5172717437971401 Energy: 0.5619557247658561 Energy: 0.513166872363514 Energy: 0.5461740757446009 Energy: 0.5172717437962168 Energy: 0.5619557247635686 Energy: 0.49462374256028024 Energy: 0.5376093940968153 Energy: 0.5511942207446677 Energy: 0.5398807104522427 Energy: 0.49462374255981856 Energy: 0.5376093940945068 Energy: 0.5511942207474378 Energy: 0.546758859089225 Energy: 0.5172179900078044 Energy: 0.5302523426953607 Energy: 0.5132411273270882 Energy: 0.5467588590878398 Energy: 0.5172179900091896 Energy: 0.5302523426953607 Energy: 0.49473904624970255 Energy: 0.5130450405319359 Energy: 0.5238358958351733 Energy: 0.5411031216999189 Energy: 0.49473904624924087 Energy: 0.5130450405328593 Energy: 0.5238358958333266 Energy: 0.5198498241441517 Energy: 0.517320064547654 Energy: 0.5404298573142252 Energy: 0.5130710778030234 Energy: 0.51984982414369 Energy: 0.517320064547654 Energy: 0.5404298573151486 Energy: 0.49337306307373996 Energy: 0.5269040894715615 Energy: 0.5162568247374568 Energy: 0.5269859638885941 Energy: 0.4933730630723549 Energy: 0.5269040894701764 Energy: 0.5162568247374568 Energy: 0.519844246199995 Energy: 0.5130888353510993 Energy: 0.5400150970198363 Energy: 0.5173115555361251 Energy: 0.5198442462013801 Energy: 0.5130888353506375 Energy: 0.5400150970179893 Energy: 0.49473556461821805 Energy: 0.5412122060102462 Energy: 0.523650304900483 Energy: 0.5131048256620067 Energy: 0.49473556461729473 Energy: 0.5412122060111697 Energy: 0.52365030490233 Energy: 0.5466256115795072 Energy: 0.5132088456423936 Energy: 0.53936484272477 Energy: 0.5171171862794034 Energy: 0.5466256115808924 Energy: 0.5132088456428553 Energy: 0.5393648427224615 Energy: 0.4946216490129163 Energy: 0.5399542818825303 Energy: 0.5511791465465007 Energy: 0.5375927049964582 Energy: 0.4946216490110695 Energy: 0.539954281882992 Energy: 0.5511791465469624 Energy: 0.5461843231400185 Energy: 0.5131752963107641 Energy: 0.5574383011114565 Energy: 0.5172493315251275 Energy: 0.546184323139095 Energy: 0.5131752963121492 Energy: 0.5574383011091479 minimum gb energy = 0.492512616197859 eV minimum distance = 2.56378203937081 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.5724117501486907 Energy: 0.5592529467559679 Energy: 0.592514437881339 Energy: 0.5686033912407715 Energy: 0.5724117501448489 Energy: 0.5592529467500649 Energy: 0.5767194577430108 Energy: 0.5623449310673978 Energy: 0.5378301487326824 Energy: 0.5965240470069613 Energy: 0.5574898028118855 Energy: 0.5623449310596674 Energy: 0.5378301487275289 Energy: 0.5965240470103346 Energy: 0.5739590779069731 Energy: 0.546084921392799 Energy: 0.5368650448184994 Energy: 0.5383007788094328 Energy: 0.5739590779028502 Energy: 0.5460849213966875 Energy: 0.5368650448174688 Energy: 0.5227463761603297 Energy: 0.5555398814102942 Energy: 0.6096034190568306 Energy: 0.5359105057981529 Energy: 0.5227463761670293 Energy: 0.555539881409779 Energy: 0.609603419063015 Energy: 0.5669509880150914 Energy: 0.5081858427637973 Energy: 0.5223689508826858 Energy: 0.5353029964518065 Energy: 0.5669509880117182 Energy: 0.5081858427650622 Energy: 0.5223689508868087 Energy: 0.5126245434611185 Energy: 0.5324524214307346 Energy: 0.5794048277695766 Energy: 0.5103818116968148 Energy: 0.512624543461634 Energy: 0.5324524214350917 Energy: 0.5794048277659691 Energy: 0.5371625393832349 Energy: 0.5078742375113591 Energy: 0.5442146616726928 Energy: 0.5253851126592991 Energy: 0.5371625393865612 Energy: 0.5078742375129051 Energy: 0.5442146616763002 Energy: 0.5103043935697341 Energy: 0.5075562431125981 Energy: 0.5896081489672947 Energy: 0.5090086621813243 Energy: 0.5103043935658924 Energy: 0.507556243109506 Energy: 0.5896081489611105 Energy: 0.5319204195541619 Energy: 0.5063784500614713 Energy: 0.5865085110781048 Energy: 0.5182605751580565 Energy: 0.5319204195510697 Energy: 0.5063784500678897 Energy: 0.5865085110822275 Energy: 0.4977819258520313 Energy: 0.5146275840711342 Energy: 0.6140117403763014 Energy: 0.5095885373767829 Energy: 0.4977819258530619 Energy: 0.5146275840675267 Energy: 0.6140117403740057 Energy: 0.5430514849125175 Energy: 0.5244573238722836 Energy: 0.5775335552750349 Energy: 0.5135006946956868 Energy: 0.5430514849120022 Energy: 0.5244573238679267 Energy: 0.5775335552819687 Energy: 0.5045211288359194 Energy: 0.5198716123801947 Energy: 0.6329191783191315 Energy: 0.5118504857333394 Energy: 0.5045211288315155 Energy: 0.519871612370403 Energy: 0.6329191783199279 Energy: 0.5536076153333048 Energy: 0.5272580390497155 Energy: 0.5970630231560916 Energy: 0.5296041436481006 Energy: 0.5536076153252935 Energy: 0.5272580390432969 Energy: 0.5970630231566069 Energy: 0.5437713831317342 Energy: 0.5477211453151728 Energy: 0.6495757241734084 Energy: 0.5385944694152823 Energy: 0.5437713831340768 Energy: 0.5477211453131113 Energy: 0.6495757241767817 Energy: 0.5536889026783661 Energy: 0.5363816658578594 Energy: 0.6251495562359127 Energy: 0.5420373580052553 Energy: 0.5536889026773354 Energy: 0.5363816658583748 Energy: 0.6251495562372245 Energy: 0.5437567459371307 Energy: 0.5195895394259931 Energy: 0.6214466923816451 Energy: 0.5246373494828098 Energy: 0.5437567459309466 Energy: 0.5195895394100171 Energy: 0.6214466923816451 Energy: 0.5589334698428395 Energy: 0.5281350786946871 Energy: 0.6101685106216499 Energy: 0.5156042496209593 Energy: 0.5589334698348281 Energy: 0.5281350786907985 Energy: 0.6101685106206192 Energy: 0.5048280367515345 Energy: 0.5119238421045236 Energy: 0.6225097258430519 Energy: 0.511176995743848 Energy: 0.5048280367507381 Energy: 0.5119238421063508 Energy: 0.6225097258451134 Energy: 0.5585292857780364 Energy: 0.5383520146779565 Energy: 0.5834140917580949 Energy: 0.540032261898273 Energy: 0.5585292857834242 Energy: 0.5383520146807674 Energy: 0.5834140917534567 Energy: 0.5069035759387924 Energy: 0.5083053013057844 Energy: 0.6147054162361784 Energy: 0.5019125810379176 Energy: 0.5069035759460073 Energy: 0.5083053013093919 Energy: 0.6147054162364597 Energy: 0.5321863816005897 Energy: 0.5098821577990126 Energy: 0.5640308015356277 Energy: 0.5444031843008426 Energy: 0.5321863815853636 Energy: 0.5098821577948899 Energy: 0.5640308015407812 Energy: 0.508704871860744 Energy: 0.5141551505139481 Energy: 0.6119729211797608 Energy: 0.5082351418446996 Energy: 0.5087048718545597 Energy: 0.5141551505149788 Energy: 0.6119729211741387 Energy: 0.5317551929887624 Energy: 0.5225206917012858 Energy: 0.5621429630992101 Energy: 0.5433869959325278 Energy: 0.5317551929900273 Energy: 0.5225206916992242 Energy: 0.5621429630984136 Energy: 0.5314754853974556 Energy: 0.5215111378615458 Energy: 0.5977392709898847 Energy: 0.5187536771385929 Energy: 0.5314754853948789 Energy: 0.5215111378618269 Energy: 0.5977392709849654 Energy: 0.543976007585687 Energy: 0.5371739699803688 Energy: 0.5887941356665213 Energy: 0.5567221465169582 Energy: 0.5439760075815641 Energy: 0.5371739699831798 Energy: 0.5887941356727056 Energy: 0.5226782053449577 Energy: 0.549872654682957 Energy: 0.5898129696011626 Energy: 0.526598824462313 Energy: 0.5226782053475343 Energy: 0.5498726546783188 Energy: 0.5898129696158267 Energy: 0.584445026973593 Energy: 0.5330181606832451 Energy: 0.5937187253536913 Energy: 0.5730491615173041 Energy: 0.5844450269805267 Energy: 0.5330181606876022 Energy: 0.5937187253595946 Energy: 0.5362162073585764 Energy: 0.5563312524807491 Energy: 0.6163301956759365 Energy: 0.5704704068443094 Energy: 0.536216207360638 Energy: 0.5563312524838412 Energy: 0.6163301956757022 Energy: 0.5861339786383234 Energy: 0.5302929689271659 Energy: 0.5880181699697972 Energy: 0.5778519628073153 Energy: 0.5861339786388388 Energy: 0.5302929689307734 Energy: 0.5880181699764967 Energy: 0.5242776956306777 Energy: 0.5447650409631547 Energy: 0.591306066398651 Energy: 0.5448777598078388 Energy: 0.5242776956332544 Energy: 0.5447650409677929 Energy: 0.5913060663971049 Energy: 0.535934304660023 Energy: 0.535130433346929 Energy: 0.6001992833963425 Energy: 0.5690916115668228 Energy: 0.5359343046520585 Energy: 0.5351304333430873 Energy: 0.6001992833881439 Energy: 0.528092951237889 Energy: 0.50437557621615 Energy: 0.5600042543316381 Energy: 0.5304438221837269 Energy: 0.52809295123817 Energy: 0.5043755762171808 Energy: 0.5600042543295768 Energy: 0.5131265656175837 Energy: 0.5216498199347318 Energy: 0.6111129963490395 Energy: 0.548294161934057 Energy: 0.5131265656070425 Energy: 0.52164981993937 Energy: 0.6111129963477744 Energy: 0.5098895869910766 Energy: 0.5032445410292442 Energy: 0.5617886120505541 Energy: 0.5169830299807122 Energy: 0.5098895869964643 Energy: 0.5032445410338823 Energy: 0.5617886120557076 Energy: 0.5072123141280889 Energy: 0.49549082695935076 Energy: 0.5781893831462142 Energy: 0.5511847153323967 Energy: 0.5072123141152052 Energy: 0.49549082695419727 Energy: 0.5781893831426067 Energy: 0.5084095036030769 Energy: 0.5070321571104366 Energy: 0.5683043478871881 Energy: 0.5088925869896966 Energy: 0.508409503596143 Energy: 0.5070321571037368 Energy: 0.5683043478890152 Energy: 0.5089111029917808 Energy: 0.5154495125929915 Energy: 0.568415716347905 Energy: 0.5525339947065225 Energy: 0.508911102993561 Energy: 0.5154495125991758 Energy: 0.5684157163450472 Energy: 0.5186516333474792 Energy: 0.506135329953477 Energy: 0.5807305308144134 Energy: 0.5210954878553932 Energy: 0.518651633351602 Energy: 0.5061353299519309 Energy: 0.5807305308141791 Energy: 0.5232359746296461 Energy: 0.53284412014285 Energy: 0.5967988945143016 Energy: 0.5496563680317951 Energy: 0.5232359746237428 Energy: 0.5328441201541877 Energy: 0.5967988945158477 Energy: 0.5185607799951457 Energy: 0.5396684587882831 Energy: 0.596548666487415 Energy: 0.5352386289708532 Energy: 0.5185607799956612 Energy: 0.5396684587936709 Energy: 0.5965486664815117 Energy: 0.5551526650579636 Energy: 0.5343300196177856 Energy: 0.6159315725878278 Energy: 0.5591170171190168 Energy: 0.5551526650618053 Energy: 0.5343300196116013 Energy: 0.6159315725927471 Energy: 0.5184004900803065 Energy: 0.531115819765199 Energy: 0.6164737207648812 Energy: 0.5633930930650195 Energy: 0.5184004900810562 Energy: 0.5311158197680567 Energy: 0.6164737207669425 Energy: 0.5453343273853836 Energy: 0.5343452380259242 Energy: 0.6178810324549363 Energy: 0.5694468905403807 Energy: 0.5453343273871638 Energy: 0.534345238024378 Energy: 0.6178810324547022 Energy: 0.5271706661039715 Energy: 0.5280859560631788 Energy: 0.614185251611008 Energy: 0.5366105378608381 Energy: 0.5271706660996143 Energy: 0.5280859560628975 Energy: 0.6141852516244072 Energy: 0.5103313564419475 Energy: 0.5331625564843898 Energy: 0.5966421981019856 Energy: 0.5575643006984298 Energy: 0.5103313564465857 Energy: 0.5331625564879973 Energy: 0.5966421981061084 minimum gb energy = 0.49549082695419727 eV minimum distance = 2.55152202828268 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.48663306338233975 Energy: 0.4872167675196334 Energy: 0.5728767475114931 Energy: 0.4872167675173096 Energy: 0.4866330633829207 Energy: 0.4872167675173096 Energy: 0.5728767371447226 Energy: 0.48663306338117784 Energy: 0.4872167675167286 Energy: 0.597206485126163 Energy: 0.4872167675207953 Energy: 0.4866330633835016 Energy: 0.4872167675207953 Energy: 0.5972064858799372 Energy: 0.48663306338117784 Energy: 0.4872167675213763 Energy: 0.5738042152267889 Energy: 0.4872167675196334 Energy: 0.4866330633829207 Energy: 0.4872167675184715 Energy: 0.5738042173097816 Energy: 0.4866330633817588 Energy: 0.4872167675219573 Energy: 0.5663536339378075 Energy: 0.4872167675196334 Energy: 0.48663306338117784 Energy: 0.4872167675196334 Energy: 0.5663536348350003 Energy: 0.4866330633800159 Energy: 0.48721676751556664 Energy: 0.6046031320606817 Energy: 0.4872167675184715 Energy: 0.48663306338117784 Energy: 0.4872167675196334 Energy: 0.6046031320699772 Energy: 0.48663306338233975 Energy: 0.48721676752253823 Energy: 0.6947362105287583 Energy: 0.48721676752021437 Energy: 0.48663306338408263 Energy: 0.4872167675207953 Energy: 0.6947362105264346 Energy: 0.4866330633817588 Energy: 0.48721676752021437 Energy: 0.5806815223299212 Energy: 0.4872167675167286 Energy: 0.48663306338117784 Energy: 0.4872167675178905 Energy: 0.5806815253548147 Energy: 0.48663306338117784 Energy: 0.4872167675167286 Energy: 0.565848682439023 Energy: 0.4872167675213763 Energy: 0.48663306338233975 Energy: 0.4872167675207953 Energy: 0.5658486810929563 Energy: 0.4866330633817588 Energy: 0.4872167675213763 Energy: 0.5614894679193793 Energy: 0.4872167675196334 Energy: 0.48663306338233975 Energy: 0.4872167675184715 Energy: 0.5614894685755779 Energy: 0.48663306338117784 Energy: 0.4872167675219573 Energy: 0.4638765385668422 Energy: 0.4872167675196334 Energy: 0.4866330633817588 Energy: 0.4872167675190524 Energy: 0.4638765433599781 Energy: 0.48663306337943496 Energy: 0.4872167675149857 Energy: 0.6001667293580468 Energy: 0.4872167675190524 Energy: 0.4866330633817588 Energy: 0.4872167675196334 Energy: 0.6001667293574658 Energy: 0.4866330633817588 Energy: 0.48721676752253823 Energy: 0.6295707111973082 Energy: 0.4872167675207953 Energy: 0.4866330633835016 Energy: 0.4872167675207953 Energy: 0.6295707111990512 Energy: 0.48663306338117784 Energy: 0.4872167675196334 Energy: 0.6295707111996321 Energy: 0.4872167675173096 Energy: 0.4866330633805968 Energy: 0.4872167675173096 Energy: 0.6295707111961463 Energy: 0.48663306338117784 Energy: 0.4872167675167286 Energy: 0.6295707112007941 Energy: 0.4872167675213763 Energy: 0.4866330633835016 Energy: 0.4872167675207953 Energy: 0.6295707111984703 Energy: 0.48663306338117784 Energy: 0.4872167675213763 Energy: 0.6295707111978892 Energy: 0.4872167675196334 Energy: 0.48663306338233975 Energy: 0.4872167675184715 Energy: 0.6295707112002131 Energy: 0.48663306338117784 Energy: 0.4872167675213763 Energy: 0.6295707111978892 Energy: 0.4872167675190524 Energy: 0.4866330633817588 Energy: 0.4872167675196334 Energy: 0.6295707111967273 Energy: 0.4866330633800159 Energy: 0.4872167675149857 Energy: 0.6295707111990512 Energy: 0.4872167675184715 Energy: 0.48663306338233975 Energy: 0.4872167675196334 Energy: 0.6295707112002131 Energy: 0.48663306338233975 Energy: 0.48721676752253823 Energy: 0.6295707111984703 Energy: 0.4872167675213763 Energy: 0.4866330633835016 Energy: 0.4872167675207953 Energy: 0.6295707111984703 Energy: 0.4866330633817588 Energy: 0.4872167675207953 Energy: 0.6295707111996321 Energy: 0.4872167675173096 Energy: 0.48663306338117784 Energy: 0.4872167675173096 Energy: 0.6295707111973082 Energy: 0.48663306338117784 Energy: 0.4872167675167286 Energy: 0.6295707111990512 Energy: 0.4872167675213763 Energy: 0.48663306338408263 Energy: 0.4872167675207953 Energy: 0.6295707111996321 minimum gb energy = 0.4638765385668422 eV minimum distance = 2.64402321153933 Angstroms sigma value = 23