Model name: model_name=EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005 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=4.050000011920929 cohesive_energy=3.3541843831092124 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: -0.00607941459516994 eV ======================================== theta = 0.0 ======================================== Energy: 0.012652371755528755 Energy: 0.20470928487362336 Energy: 0.3767482231397582 Energy: 0.2047183832562728 Energy: 0.012652371755324746 Energy: 0.20470928487341933 Energy: 0.37674822313876083 Energy: 0.2395396062962452 Energy: 0.013009463593216785 Energy: 0.11227125901731602 Energy: 0.013075575634584334 Energy: 0.2395396062962452 Energy: 0.013009463594010152 Energy: 0.11227125901552527 Energy: 0.012652371755528755 Energy: 0.20470928487362336 Energy: 0.3767482231393502 Energy: 0.2047183832560688 Energy: 0.012652371755324746 Energy: 0.20470928487362336 Energy: 0.37674822313876083 Energy: 0.2395396062962452 Energy: 0.013009463593420794 Energy: 0.11227125901731602 Energy: 0.013075575634584334 Energy: 0.23953960629644921 Energy: 0.013009463594010152 Energy: 0.11227125901552527 Energy: 0.012652371755324746 Energy: 0.20470928487341933 Energy: 0.5257817287752803 Energy: 0.2047183832560688 Energy: 0.012652371755324746 Energy: 0.20470928487362336 Energy: 0.5257817287752803 Energy: 0.2395396062962452 Energy: 0.013009463593216785 Energy: 0.11227125901731602 Energy: 0.013075575634584334 Energy: 0.23953960629665322 Energy: 0.013009463594010152 Energy: 0.11227125901552527 minimum gb energy = 0.012652371755324746 eV minimum distance = 2.83653972202701 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 0.5579735566897983 Energy: 0.5889435364769259 Energy: 0.6330973176934621 Energy: 0.5889147172959169 Energy: 0.5579735566849243 Energy: 0.5889435365158732 Energy: 0.6330973176934621 Energy: 0.5091733070722196 Energy: 0.5396433028517312 Energy: 0.5608192526199534 Energy: 0.5240466082296016 Energy: 0.5091733070722196 Energy: 0.5396433028566052 Energy: 0.5608192526102054 Energy: 0.5078698748898642 Energy: 0.5139692104621799 Energy: 0.6134270649589049 Energy: 0.5172930299189101 Energy: 0.5078698748776793 Energy: 0.5139692104621799 Energy: 0.613427064949157 Energy: 0.5482610045569799 Energy: 0.5387093732458637 Energy: 0.5884163708903359 Energy: 0.5280354105209983 Energy: 0.5482610045618539 Energy: 0.5387093732409897 Energy: 0.5884163708976468 Energy: 0.5102581829775015 Energy: 0.5051280635345313 Energy: 0.5756237462178674 Energy: 0.541335698550924 Energy: 0.5102581829604427 Energy: 0.5051280635394053 Energy: 0.5756237462203043 Energy: 0.5348810707393591 Energy: 0.5346401415146673 Energy: 0.5505721700034829 Energy: 0.5392273835838455 Energy: 0.5348810707344851 Energy: 0.534640141521934 Energy: 0.550572169986424 Energy: 0.5099708328477488 Energy: 0.5434299847032859 Energy: 0.5740269512405036 Energy: 0.5463200678600866 Energy: 0.5099708328696815 Energy: 0.543429984686227 Energy: 0.5740269512405036 Energy: 0.5083601859844037 Energy: 0.520338860958306 Energy: 0.5954742591319274 Energy: 0.5351790743060801 Energy: 0.5083601859892777 Energy: 0.520338860958306 Energy: 0.5954742591197426 Energy: 0.5005192048189143 Energy: 0.5212354056585972 Energy: 0.6205254152669673 Energy: 0.5182170196422301 Energy: 0.5005192048091663 Energy: 0.521235405682967 Energy: 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0.546537599993762 Energy: 0.5937934647129612 Energy: 0.5170638253506078 Energy: 0.5146195568329317 Energy: 0.5565435363567788 Energy: 0.5572313938768361 Energy: 0.5170638253701036 Energy: 0.5146195568304948 Energy: 0.5565435363616085 Energy: 0.5496887908377747 Energy: 0.5170176819595436 Energy: 0.6022092457261848 Energy: 0.5217198756141969 Energy: 0.5496887908231528 Energy: 0.5170176819424847 Energy: 0.6022092457408065 Energy: 0.551029500547842 Energy: 0.5455290568799386 Energy: 0.5819418983242792 Energy: 0.5447132728034783 Energy: 0.5510295005429681 Energy: 0.5455290568775016 Energy: 0.5819418983194052 Energy: 0.5316517580941843 Energy: 0.5290988982761662 Energy: 0.6182998835583668 Energy: 0.5168771546939882 Energy: 0.5316517581039322 Energy: 0.5290988982883511 Energy: 0.6182998835559298 Energy: 0.5049628604321185 Energy: 0.5349669659442646 Energy: 0.6000080588667863 Energy: 0.5226501162388008 Energy: 0.5049628604296815 Energy: 0.5349669659272058 Energy: 0.6000080588765343 Energy: 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0.5369199190207927 Energy: 0.5193665898237142 Energy: 0.5626661496597729 Energy: 0.532622606526606 Energy: 0.5178199864775048 Energy: 0.5870989038107957 Energy: 0.5147482883944366 Energy: 0.532622606526606 Energy: 0.5178199864799418 Energy: 0.5870989038254176 Energy: 0.5773469613748604 Energy: 0.5236029833346393 Energy: 0.5640836161641289 Energy: 0.5387551263702961 Energy: 0.5773469613724234 Energy: 0.5236029833224545 Energy: 0.564083616166566 Energy: 0.5342467482194223 Energy: 0.5208903241659191 Energy: 0.5804082235567014 Energy: 0.5437378571668814 Energy: 0.5342467482389182 Energy: 0.5208903241537342 Energy: 0.5804082235445165 Energy: 0.5001149956465359 Energy: 0.5132200135659883 Energy: 0.6024650666720713 Energy: 0.5230696779395989 Energy: 0.500114995644099 Energy: 0.513220013578129 Energy: 0.6024650666598865 Energy: 0.5107695818260696 Energy: 0.5455897806449669 Energy: 0.6092159466108348 Energy: 0.5499667742619688 Energy: 0.5107695818163216 Energy: 0.5455897806498408 Energy: 0.6092159466059609 Energy: 0.5005812493901128 Energy: 0.54067275095766 Energy: 0.5452780906568928 Energy: 0.5193799318662334 Energy: 0.5005812493925499 Energy: 0.540672750950349 Energy: 0.5452780906471891 minimum gb energy = 0.500114995644099 eV minimum distance = 2.51696489183135 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.5459947596585243 Energy: 0.5230023963784911 Energy: 0.6405164756067726 Energy: 0.5218353376140871 Energy: 0.5459947596590774 Energy: 0.523002396380704 Energy: 0.6405164756087341 Energy: 0.5152348244237854 Energy: 0.5183050402818582 Energy: 0.621055609906176 Energy: 0.5202668538981475 Energy: 0.5152348244240872 Energy: 0.5183050402835179 Energy: 0.6210556099017501 Energy: 0.5087424133298938 Energy: 0.521156762839651 Energy: 0.5951155634041073 Energy: 0.5356364355833462 Energy: 0.5087424133235566 Energy: 0.5211567628421154 Energy: 0.595115563402699 Energy: 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0.5267127179971028 Energy: 0.5449922782759746 Energy: 0.5245303011834344 Energy: 0.5338078103363098 Energy: 0.5749749215530477 Energy: 0.5208239626608107 Energy: 0.5245303011767954 Energy: 0.5338078103313306 Energy: 0.574974921546107 Energy: 0.5226131885375386 Energy: 0.5377287366197042 Energy: 0.5880339592159114 Energy: 0.5216392815700405 Energy: 0.5226131885388966 Energy: 0.5377287366160829 Energy: 0.5880339592159114 Energy: 0.5086803401743842 Energy: 0.5195175230303424 Energy: 0.6006502673963743 Energy: 0.5276436422107547 Energy: 0.5086803401743842 Energy: 0.519517523025665 Energy: 0.6006502673858626 Energy: 0.522460806204199 Energy: 0.5175972798024644 Energy: 0.6041920739563243 Energy: 0.5225196599349163 Energy: 0.522460806205054 Energy: 0.5175972797985917 Energy: 0.6041920739604485 Energy: 0.5282766720261829 Energy: 0.5230023963782396 Energy: 0.6278153175267648 Energy: 0.5218353376151935 Energy: 0.5282766720250764 Energy: 0.5230023963810059 Energy: 0.6278153175262114 Energy: 0.5152348244251939 Energy: 0.5183050402818582 Energy: 0.620422138610478 Energy: 0.5213950009824807 Energy: 0.5152348244246405 Energy: 0.5183050402832162 Energy: 0.6204221386184748 minimum gb energy = 0.5067184638533544 eV minimum distance = 2.53334467945371 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 0.5732870091146202 Energy: 0.5405887948553808 Energy: 0.6035793657824169 Energy: 0.525485284020784 Energy: 0.5732870091117453 Energy: 0.5405887948537837 Energy: 0.6035793657814585 Energy: 0.5608891725934274 Energy: 0.5280841834357328 Energy: 0.603275566985454 Energy: 0.5262375113350114 Energy: 0.5608891725918302 Energy: 0.528084183435094 Energy: 0.603275566983857 Energy: 0.540828291093182 Energy: 0.541641332629415 Energy: 0.6165102531938547 Energy: 0.5473116725258759 Energy: 0.5408282910944451 Energy: 0.5416413326290956 Energy: 0.6165102531957711 Energy: 0.540278431110284 Energy: 0.5335653777289722 Energy: 0.6158770057773989 Energy: 0.5242812608745875 Energy: 0.5402784311112422 Energy: 0.5335653777302498 Energy: 0.6158770057786765 Energy: 0.5448380305679299 Energy: 0.5289955728739151 Energy: 0.6007116925181891 Energy: 0.5562448478581855 Energy: 0.5448380305698464 Energy: 0.5289955728758315 Energy: 0.6081979460403801 Energy: 0.5446169265724203 Energy: 0.5422183376844601 Energy: 0.5836094707440534 Energy: 0.5368172712023825 Energy: 0.544616926571462 Energy: 0.5422183376835019 Energy: 0.5836094707469283 Energy: 0.5457679388737692 Energy: 0.5732739335542643 Energy: 0.5895417820731974 Energy: 0.5392163412053748 Energy: 0.5457679388724914 Energy: 0.5732739335510701 Energy: 0.5895417820731974 Energy: 0.5574755237006144 Energy: 0.5386843742836885 Energy: 0.6467368187670917 Energy: 0.54747100303766 Energy: 0.557475523700295 Energy: 0.5386843742824109 Energy: 0.6467368187648558 Energy: 0.5442178458079021 Energy: 0.5326253073522914 Energy: 0.6145942742107784 Energy: 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0.5433780370545014 Energy: 0.623388507971054 Energy: 0.5416318216186587 Energy: 0.5283711723351008 Energy: 0.597020579662851 Energy: 0.5235933638638488 Energy: 0.5416318216145063 Energy: 0.5283711723341425 Energy: 0.5970205796599762 Energy: 0.5633704552992146 Energy: 0.5421784196046971 Energy: 0.5997725989283457 Energy: 0.5619406814906686 Energy: 0.563370455299534 Energy: 0.5421784196034194 Energy: 0.5997725989273873 Energy: 0.5588309162014883 Energy: 0.537971612494873 Energy: 0.6003854859309304 Energy: 0.5422221434554377 Energy: 0.5588309162024465 Energy: 0.5379716124932759 Energy: 0.6003854859309304 Energy: 0.5433663343605563 Energy: 0.5674323959458855 Energy: 0.6245490584326037 Energy: 0.5502172309461579 Energy: 0.5433663343615144 Energy: 0.5674323959474825 Energy: 0.6245490584342008 Energy: 0.5401685944878849 Energy: 0.5395872169222964 Energy: 0.6216794740128966 Energy: 0.5498142412585867 Energy: 0.5401685944872461 Energy: 0.5395872169216575 Energy: 0.6216794740135354 Energy: 0.552028724485153 Energy: 0.5390267643605644 Energy: 0.6097418911716364 Energy: 0.5419524342756691 Energy: 0.552028724483556 Energy: 0.539026764361842 Energy: 0.6097418911716364 Energy: 0.5339784633217831 Energy: 0.5473680338525422 Energy: 0.5864712982974994 Energy: 0.5487099775016884 Energy: 0.5339784633224218 Energy: 0.5473680338509597 Energy: 0.5864712982974994 Energy: 0.5458065340091163 Energy: 0.558665030824564 Energy: 0.6182301429428881 Energy: 0.5303534434634292 Energy: 0.5458065340084775 Energy: 0.5586650308236057 Energy: 0.6182301429448047 Energy: 0.5610008429912818 Energy: 0.547181855020327 Energy: 0.5949277678943609 Energy: 0.5343655244825505 Energy: 0.5610008429906431 Energy: 0.5471818550196883 Energy: 0.5949277678943609 Energy: 0.54937051909584 Energy: 0.5279192413755607 Energy: 0.6291126227406455 Energy: 0.5265439676009301 Energy: 0.5493705190955207 Energy: 0.5279192413733248 Energy: 0.629112622739368 Energy: 0.5438972164945418 Energy: 0.5349931950633173 Energy: 0.5984532995965229 Energy: 0.53511511393566 Energy: 0.5438972164942225 Energy: 0.5349931950620396 Energy: 0.5984532995933288 Energy: 0.5653110807063774 Energy: 0.5562054537890744 Energy: 0.6217843339265435 Energy: 0.5536144822986615 Energy: 0.5653110807063774 Energy: 0.5562054537871579 Energy: 0.6217843339278212 Energy: 0.5660087825018649 Energy: 0.5288272720231972 Energy: 0.5987787726589238 Energy: 0.5419659723970438 Energy: 0.5660087825009068 Energy: 0.5288272720276691 Energy: 0.5987787726589238 Energy: 0.5553372073348933 Energy: 0.5332738473486753 Energy: 0.6032938945770162 Energy: 0.526474351440829 Energy: 0.5553372073339352 Energy: 0.533273847347717 Energy: 0.6032938945735026 Energy: 0.5344563137015662 Energy: 0.5416560153669001 Energy: 0.6155094070521013 Energy: 0.5445866679122439 Energy: 0.5344563137044409 Energy: 0.5416560153656224 Energy: 0.6101615323229664 Energy: 0.5462395418662508 Energy: 0.5303114254932321 Energy: 0.6035060933521202 Energy: 0.5356438719804852 Energy: 0.5462395418656121 Energy: 0.5303114254941902 Energy: 0.6035060933537172 Energy: 0.5640748488605917 Energy: 0.528946714707873 Energy: 0.6172616017638464 Energy: 0.5486423279809444 Energy: 0.5640748488615499 Energy: 0.52894671470947 Energy: 0.617261601766721 Energy: 0.5479679146182613 Energy: 0.5361725243302361 Energy: 0.6033536000841562 Energy: 0.5303590987140051 Energy: 0.5479679146163449 Energy: 0.5361725243334302 Energy: 0.6033536000860726 Energy: 0.5459714128463905 Energy: 0.5721188793623538 Energy: 0.5979659762228055 Energy: 0.5454766520482541 Energy: 0.5459714128447933 Energy: 0.5721188793623538 Energy: 0.5979659762215277 Energy: 0.5402444486805031 Energy: 0.552090796171279 Energy: 0.6452429590369944 Energy: 0.5522850600893576 Energy: 0.5402444486792255 Energy: 0.552090796171279 Energy: 0.6452429590360362 Energy: 0.5440586185907403 Energy: 0.5451769157705723 Energy: 0.6061187296688175 Energy: 0.5459791163193057 Energy: 0.5440586185894626 Energy: 0.5451769157673781 Energy: 0.6061187296688175 Energy: 0.5274303811967437 Energy: 0.5484181274002201 Energy: 0.6325862749215446 Energy: 0.5495225855167796 Energy: 0.5274303811964243 Energy: 0.5484181274002201 Energy: 0.6325862749215446 minimum gb energy = 0.5235933638638488 eV minimum distance = 2.49294508930486 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.5316593597902274 Energy: 0.5316670833766991 Energy: 0.6020145232043626 Energy: 0.5316538839992795 Energy: 0.5316593597924892 Energy: 0.5316670833740603 Energy: 0.6020145232062473 Energy: 0.5244647779258029 Energy: 0.5366494089656431 Energy: 0.5354998893569001 Energy: 0.5366773692425315 Energy: 0.524464777922033 Energy: 0.5366494089656431 Energy: 0.5354998893550152 Energy: 0.5315476872396844 Energy: 0.5158497707211188 Energy: 0.5302576704870644 Energy: 0.5192592045160542 Energy: 0.531547687231391 Energy: 0.5158497707158414 Energy: 0.5480068512140163 Energy: 0.5423163939474392 Energy: 0.5367632896637815 Energy: 0.5354088430907248 Energy: 0.554045427556876 Energy: 0.5423163939530595 Energy: 0.5367632896611427 Energy: 0.5354088430956254 Energy: 0.5557680899921236 Energy: 0.5178930863967873 Energy: 0.5316617694079112 Energy: 0.5194623445818443 Energy: 0.5557680899970242 Energy: 0.5178930864013109 Energy: 0.5316617694071574 Energy: 0.5424017172209675 Energy: 0.5546001398976802 Energy: 0.5942870493966617 Energy: 0.5524054696379511 Energy: 0.5424017172232294 Energy: 0.5546001398908946 Energy: 0.5942870493944 Energy: 0.584966389019336 Energy: 0.5183272796281962 Energy: 0.5551568605202829 Energy: 0.5185798072981499 Energy: 0.5849663890249907 Energy: 0.5183272796236726 Energy: 0.5551568605278223 Energy: 0.5418980500625943 Energy: 0.542183997577037 Energy: 0.5731680280650286 Energy: 0.5421827560736223 Energy: 0.5418980500636909 Energy: 0.5421839975894771 Energy: 0.5731680280638979 Energy: 0.5849450020297801 Energy: 0.5177400880375416 Energy: 0.5552348363610959 Energy: 0.5183161877277389 Energy: 0.5849450020316649 Energy: 0.5177400880288713 Energy: 0.5691487341143431 Energy: 0.5423729774461689 Energy: 0.552316319137511 Energy: 0.5943239724857354 Energy: 0.5545918011121667 Energy: 0.5423729774435301 Energy: 0.552316319138265 Energy: 0.5943239724872432 Energy: 0.5558004243246929 Energy: 0.5195386462356061 Energy: 0.5441346315503501 Energy: 0.5177878335388035 Energy: 0.555800424322431 Energy: 0.5195386462431455 Energy: 0.5441346315458264 Energy: 0.5423174117428592 Energy: 0.5540266605672666 Energy: 0.5353915113113187 Energy: 0.536757196873269 Energy: 0.5423174117503985 Energy: 0.5540266605623659 Energy: 0.5353915113079258 Energy: 0.5316042710718974 Energy: 0.5193200583247654 Energy: 0.5302064011652455 Energy: 0.5157968634476863 Energy: 0.5316042710669968 Energy: 0.5193200583221265 Energy: 0.5302064011569522 Energy: 0.5244839720121819 Energy: 0.5366683868439603 Energy: 0.5354743485051792 Energy: 0.5366406920736906 Energy: 0.5244839720121819 Energy: 0.5366683868330281 Energy: 0.5354743485123415 Energy: 0.5316593597924892 Energy: 0.5316670833763222 Energy: 0.6054099573095433 Energy: 0.5316538839981486 Energy: 0.5316593597932432 Energy: 0.5316670833751912 Energy: 0.5707924147353813 Energy: 0.5244647779261798 Energy: 0.5366494089667738 Energy: 0.535499889358031 Energy: 0.5366773692436624 Energy: 0.5244647779205253 Energy: 0.5366494089663969 Energy: 0.535499889357277 Energy: 0.5315476872408154 Energy: 0.515849770719234 Energy: 0.5563548358495932 Energy: 0.5192592045168083 Energy: 0.5315476872321451 Energy: 0.5158497707143334 Energy: 0.5521064254568279 Energy: 0.5423163939481932 Energy: 0.5367632896634045 Energy: 0.5354088430907248 Energy: 0.554045427558007 Energy: 0.5423163939545674 Energy: 0.5367632896618967 Energy: 0.5354088430967564 Energy: 0.5557680899928775 Energy: 0.5178930863975413 Energy: 0.5316617694060264 Energy: 0.5194623445796167 Energy: 0.5557680899966473 Energy: 0.517893086402819 Energy: 0.5316617694064034 Energy: 0.5424017172198368 Energy: 0.5546001398969262 Energy: 0.5942870493966617 Energy: 0.5524054696387051 Energy: 0.5424017172228526 Energy: 0.5546001398905177 Energy: 0.5942870493944 Energy: 0.5849663890215979 Energy: 0.5183272796266885 Energy: 0.5552110731132346 Energy: 0.5185798072973961 Energy: 0.5849663890261216 Energy: 0.5183272796232957 Energy: 0.5552110731109727 Energy: 0.5418980500625943 Energy: 0.542183997577791 Energy: 0.5731680280638979 Energy: 0.5421827560728684 Energy: 0.5418980500633138 Energy: 0.5421839975891001 Energy: 0.5731680280631438 Energy: 0.584945002029403 Energy: 0.5177400880364107 Energy: 0.5674736681559284 Energy: 0.5183161877269851 Energy: 0.5849450020316649 Energy: 0.5177400880269863 Energy: 0.5674736681563052 Energy: 0.5423729774469228 Energy: 0.552316319136003 Energy: 0.5943239724834735 Energy: 0.5545918011121667 Energy: 0.5423729774439071 Energy: 0.552316319138265 Energy: 0.5943239724868663 Energy: 0.5558004243262008 Energy: 0.51953864623636 Energy: 0.5447262152998911 Energy: 0.5177878335365417 Energy: 0.5558004243250698 Energy: 0.5195386462438994 Energy: 0.544726215301399 Energy: 0.542317411743236 Energy: 0.5540266605661357 Energy: 0.5353915113090568 Energy: 0.536757196873269 Energy: 0.5423174117500216 Energy: 0.554026660560481 Energy: 0.535391511306418 Energy: 0.5316042710711436 Energy: 0.5193200583262733 Energy: 0.5634056053821122 Energy: 0.5157968634454244 Energy: 0.5316042710669968 Energy: 0.5193200583247654 Energy: 0.5634056053832429 Energy: 0.5244839720140667 Energy: 0.5366683868454682 Energy: 0.5354743485032942 Energy: 0.5366406920733138 Energy: 0.524483972012936 Energy: 0.5366683868322742 Energy: 0.5354743485097029 Energy: 0.5316593597906044 Energy: 0.5316670833766991 Energy: 0.6020529129266824 Energy: 0.5316538839989026 Energy: 0.5316593597924892 Energy: 0.5316670833740603 Energy: 0.5551829147898177 Energy: 0.5244647779258029 Energy: 0.536649408965266 Energy: 0.5354998893565232 Energy: 0.5366773692421545 Energy: 0.524464777922033 Energy: 0.5366494089645121 Energy: 0.5354998893553922 minimum gb energy = 0.5157968634454244 eV minimum distance = 2.58251976110253 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 0.5265500011569987 Energy: 0.5816810182296465 Energy: 0.5799296595926525 Energy: 0.5816888386177651 Energy: 0.5265500011606389 Energy: 0.5816810182269005 Energy: 0.5799296595944831 Energy: 0.5242666307622067 Energy: 0.5118314555035641 Energy: 0.5749478510858211 Energy: 0.5046598324437948 Energy: 0.524266630759461 Energy: 0.5118314555076827 Energy: 0.5749478510899397 Energy: 0.5267200997616334 Energy: 0.5195206597427676 Energy: 0.5614001380631245 Energy: 0.5465564610265453 Energy: 0.5267200997579724 Energy: 0.5195206597432253 Energy: 0.5614001380644973 Energy: 0.5356056400925276 Energy: 0.5123606451839854 Energy: 0.6056415908252628 Energy: 0.5083617010172855 Energy: 0.535605640097104 Energy: 0.5123606451849008 Energy: 0.6056415908220595 Energy: 0.5061345623420941 Energy: 0.5445789087683159 Energy: 0.4985196916161778 Energy: 0.5324766381434775 Energy: 0.5061345623361448 Energy: 0.544578908763282 Energy: 0.4985196916189236 Energy: 0.5356550120560278 Energy: 0.5114624681751606 Energy: 0.5417646814958903 Energy: 0.5291356877961851 Energy: 0.5356550120532821 Energy: 0.5114624681733302 Energy: 0.5417646814945176 Energy: 0.550028046699548 Energy: 0.5447032546057443 Energy: 0.5531949872752103 Energy: 0.5326164296146279 Energy: 0.5500280467004631 Energy: 0.5447032546043714 Energy: 0.5531949872779561 Energy: 0.529843637298775 Energy: 0.5105231600723195 Energy: 0.5358949494496676 Energy: 0.5242755594619654 Energy: 0.5298436372969446 Energy: 0.5105231600759805 Energy: 0.5358949494482947 Energy: 0.5499365663888732 Energy: 0.525873649320241 Energy: 0.5637837499919899 Energy: 0.5343401334915923 Energy: 0.5499365663888732 Energy: 0.5258736493184106 Energy: 0.5637837499929051 Energy: 0.5310942874652349 Energy: 0.5118992543345092 Energy: 0.5421954325855308 Energy: 0.5120835745421745 Energy: 0.5310942874670654 Energy: 0.5118992543349667 Energy: 0.5421954325850732 Energy: 0.5488167884213595 Energy: 0.5415287410791867 Energy: 0.5645030029847412 Energy: 0.5217694158900166 Energy: 0.5488167884195291 Energy: 0.5415287410810173 Energy: 0.5593373052786338 Energy: 0.487266202049497 Energy: 0.5253662038184087 Energy: 0.5273491757728915 Energy: 0.5062756333056935 Energy: 0.48726620204903937 Energy: 0.5253662038202391 Energy: 0.5273491757742643 Energy: 0.5485116266447454 Energy: 0.5241316944613591 Energy: 0.57884259222531 Energy: 0.5121028621797176 Energy: 0.5485116266474703 Energy: 0.5241316944572404 Energy: 0.5788425922234797 Energy: 0.48732639522256654 Energy: 0.5260949074932371 Energy: 0.5389572015622719 Energy: 0.5638116120823707 Energy: 0.48732639522531235 Energy: 0.5260949074918642 Energy: 0.538957201565933 Energy: 0.5518713828338241 Energy: 0.49761391795934307 Energy: 0.5336931280947288 Energy: 0.5092932025476441 Energy: 0.5518713828342817 Energy: 0.49761391796300414 Energy: 0.5336931280956441 Energy: 0.4826129780333736 Energy: 0.5566546819351973 Energy: 0.5375054352206834 Energy: 0.5486856243297792 Energy: 0.4826129780365562 Energy: 0.5566546819379431 Energy: 0.5375054352188737 Energy: 0.5503217742442178 Energy: 0.509279729083582 Energy: 0.5742084966770709 Energy: 0.5092072477171077 Energy: 0.5503217742442178 Energy: 0.5092797290803787 Energy: 0.5742084966789013 Energy: 0.4827555061636679 Energy: 0.5154217778573943 Energy: 0.5235472440798055 Energy: 0.5345979254980501 Energy: 0.4827555061650408 Energy: 0.5154217778642587 Energy: 0.5235472440798055 Energy: 0.5268499315765622 Energy: 0.5093505520068545 Energy: 0.528683449182225 Energy: 0.508990498563977 Energy: 0.5268499315761045 Energy: 0.509350552003651 Energy: 0.5286834491854076 Energy: 0.48251816380198076 Energy: 0.5270692568998391 Energy: 0.5251993159785848 Energy: 0.5270767730868821 Energy: 0.48251816380655704 Energy: 0.5270692569016695 Energy: 0.5251993159744662 Energy: 0.5268522976917079 Energy: 0.5088855772779115 Energy: 0.5282604807938461 Energy: 0.5092478131907582 Energy: 0.5268522976930808 Energy: 0.5088855772760811 Energy: 0.528260480791558 Energy: 0.48266385387624583 Energy: 0.5345992638599557 Energy: 0.5236248551789842 Energy: 0.5153962358287979 Energy: 0.48266385387533056 Energy: 0.5345992638599557 Energy: 0.5236248551817091 Energy: 0.5504336569641679 Energy: 0.5092275446128726 Energy: 0.5745507433036348 Energy: 0.5089501739438358 Energy: 0.5504336569618797 Energy: 0.5092275446165336 Energy: 0.5745507433072956 Energy: 0.482574285236934 Energy: 0.5487044171774117 Energy: 0.5374003896164212 Energy: 0.5566645874068361 Energy: 0.48257428524105267 Energy: 0.5487044171755813 Energy: 0.5374003896145908 Energy: 0.5517696368535242 Energy: 0.5093014571467509 Energy: 0.5336841968060491 Energy: 0.4934904983130472 Energy: 0.5517696368553547 Energy: 0.5093014571508696 Energy: 0.5336841968055915 minimum gb energy = 0.48251816380198076 eV minimum distance = 2.57914956135296 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.5322912959043533 Energy: 0.564586182983679 Energy: 0.6055700725175338 Energy: 0.5645935823236291 Energy: 0.5322912958928834 Energy: 0.5645861829701195 Energy: 0.6055700725088502 Energy: 0.558483276488694 Energy: 0.5449647192469088 Energy: 0.6160040140475473 Energy: 0.5448185163122147 Energy: 0.5584832764815427 Energy: 0.5449647192545709 Energy: 0.6160040140383528 Energy: 0.5330465666504823 Energy: 0.5428622977680825 Energy: 0.6111784554892291 Energy: 0.54617813472443 Energy: 0.5330465666320933 Energy: 0.5428622977604205 Energy: 0.6111784554853747 Energy: 0.5082501255376415 Energy: 0.5463754711770997 Energy: 0.6220523024963507 Energy: 0.5541816090551344 Energy: 0.5082501255355982 Energy: 0.5463754711722238 Energy: 0.622052302499694 Energy: 0.5532606132914388 Energy: 0.5107214302918096 Energy: 0.5841959287236463 Energy: 0.518039615041163 Energy: 0.5532606133008654 Energy: 0.5107214302867015 Energy: 0.5841959287318191 Energy: 0.5080306956416198 Energy: 0.5279721183177581 Energy: 0.5834717774197893 Energy: 0.514914515799988 Energy: 0.5080306956485389 Energy: 0.5279721183141826 Energy: 0.5834717774182568 Energy: 0.5237286037730228 Energy: 0.5105512295810362 Energy: 0.5879612816283252 Energy: 0.5282324870977291 Energy: 0.5237286037906221 Energy: 0.5105512295687769 Energy: 0.5879612816265142 Energy: 0.5076384482362682 Energy: 0.5193360575709329 Energy: 0.607574971599837 Energy: 0.5181366313880167 Energy: 0.5076384482367791 Energy: 0.519336057555098 Energy: 0.607574971599837 Energy: 0.5238172123195952 Energy: 0.5148297390772457 Energy: 0.5562390438128196 Energy: 0.5102617841490348 Energy: 0.5238172123308328 Energy: 0.5148297390757134 Energy: 0.556239043828376 Energy: 0.5016774121071682 Energy: 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0.5531686450684216 Energy: 0.5773809256625984 Energy: 0.5287786129480027 Energy: 0.5235181322815715 Energy: 0.5960751931826815 Energy: 0.5482387381464128 Energy: 0.5287786129523678 Energy: 0.5235181322866794 Energy: 0.5960751932031139 Energy: 0.5252423320465122 Energy: 0.5348178949372676 Energy: 0.5779752776672551 Energy: 0.5238923306005215 Energy: 0.5252423320610469 Energy: 0.534817894941354 Energy: 0.5779752776782606 Energy: 0.5284212749405404 Energy: 0.5218490942642938 Energy: 0.5565096508079851 Energy: 0.5534289590674473 Energy: 0.5284212749619942 Energy: 0.5218490942594642 Energy: 0.5565096508064526 Energy: 0.5242746916915647 Energy: 0.5255264104699248 Energy: 0.5777191695991841 Energy: 0.5176073312377661 Energy: 0.5242746916910538 Energy: 0.5255264104750328 Energy: 0.5777191695945869 Energy: 0.5289336059558947 Energy: 0.541880513761803 Energy: 0.5896918194780815 Energy: 0.5768489294104401 Energy: 0.5289336059400598 Energy: 0.541880513758506 Energy: 0.5896918194739951 Energy: 0.5196949791476827 Energy: 0.5572244508662556 Energy: 0.6546793355890738 Energy: 0.5553515733180792 Energy: 0.5196949791311049 Energy: 0.5572244508669986 Energy: 0.6546793355763502 Energy: 0.5892857800295471 Energy: 0.5405030463052188 Energy: 0.5896021260549792 Energy: 0.5912167121198979 Energy: 0.5892857800099046 Energy: 0.5405030463113485 Energy: 0.5896021260527037 Energy: 0.5200406854978209 Energy: 0.5910048067954395 Energy: 0.662736884665552 Energy: 0.5839008403793248 Energy: 0.520040685509523 Energy: 0.5910048067939536 Energy: 0.6627368846796222 Energy: 0.5840329327111868 Energy: 0.5407605841811681 Energy: 0.5812667040511927 Energy: 0.5899099245990098 Energy: 0.5840329327140196 Energy: 0.5407605841819111 Energy: 0.5812667040322931 Energy: 0.520329962244788 Energy: 0.5531066349514365 Energy: 0.5888917714830135 Energy: 0.5545664485186571 Energy: 0.5203299622485958 Energy: 0.5531066349672715 Energy: 0.5888917714743298 Energy: 0.5209538105641148 Energy: 0.5404404247164546 Energy: 0.6372212975794133 Energy: 0.5691526684063407 Energy: 0.5209538105538988 Energy: 0.5404404247236059 Energy: 0.6372212975730513 Energy: 0.5240508456702037 Energy: 0.5201137428886602 Energy: 0.5661166507346866 Energy: 0.5242052714848237 Energy: 0.5240508456538578 Energy: 0.520113742897576 Energy: 0.5661166507247027 Energy: 0.5208849419064631 Energy: 0.5217319598734191 Energy: 0.6293433309817803 Energy: 0.5478600238877036 Energy: 0.5208849419082742 Energy: 0.5217319598708651 Energy: 0.6293433309958505 Energy: 0.5173283442158482 Energy: 0.5201492228278575 Energy: 0.5737242053032433 Energy: 0.5207959574268771 Energy: 0.5173283442135264 Energy: 0.5201492228209383 Energy: 0.5737242053004569 Energy: 0.5142292350367714 Energy: 0.5126162953411842 Energy: 0.6295689240234487 Energy: 0.5561660917433227 Energy: 0.514229235035239 Energy: 0.5126162953284142 Energy: 0.629568924007103 Energy: 0.5173390533650848 Energy: 0.5165244641076032 Energy: 0.5744148749277184 Energy: 0.5126278518884797 Energy: 0.5173390533709823 Energy: 0.5165244641024952 Energy: 0.5744148749427639 Energy: 0.5140405865628866 Energy: 0.517555455582474 Energy: 0.5897694610980003 Energy: 0.5682990912883429 Energy: 0.514040586567484 Energy: 0.5175554555651068 Energy: 0.5897694610796115 Energy: 0.5212860997927865 Energy: 0.5092104816665419 Energy: 0.5852213539979648 Energy: 0.5124302704143087 Energy: 0.5212860997951084 Energy: 0.50921048167165 Energy: 0.5852213539887704 Energy: 0.5139220551303919 Energy: 0.5378368611624615 Energy: 0.6110778619711936 Energy: 0.561945268022558 Energy: 0.5139220551298811 Energy: 0.5378368611706345 Energy: 0.611077861983685 Energy: 0.5125939402360824 Energy: 0.5386869571960882 Energy: 0.5844932239399785 Energy: 0.5395626303399195 Energy: 0.5125939402424906 Energy: 0.5386869571955775 Energy: 0.5844932239208466 Energy: 0.5697570698984956 Energy: 0.5402368546085419 Energy: 0.6083542047223183 Energy: 0.5619184291723661 Energy: 0.5697570698971953 Energy: 0.5402368545954932 Energy: 0.6083542047205073 Energy: 0.5125809842150936 Energy: 0.5471640730052553 Energy: 0.60818504060032 Energy: 0.5529282702840177 Energy: 0.5125809842350149 Energy: 0.5471640730164931 Energy: 0.6081850405969764 Energy: 0.538931306233517 Energy: 0.540382973832211 Energy: 0.5959172243076181 Energy: 0.5601699948453849 Energy: 0.5389313062314738 Energy: 0.5403829738327218 Energy: 0.5959172243098936 Energy: 0.5230412816254805 Energy: 0.5388555808734863 Energy: 0.6011059543867626 Energy: 0.5218623663356345 Energy: 0.5230412816349536 Energy: 0.5388555808571407 Energy: 0.6011059544000434 Energy: 0.5147924595280949 Energy: 0.5407736654250865 Energy: 0.5942096781122524 Energy: 0.5622544995820319 Energy: 0.5147924595337138 Energy: 0.5407736654181675 Energy: 0.5942096781061229 minimum gb energy = 0.500729718310938 eV minimum distance = 2.49976694186975 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.5182296194334235 Energy: 0.5142245051232524 Energy: 0.5475537881702839 Energy: 0.5142245051249799 Energy: 0.5182296194386059 Energy: 0.5142245051255557 Energy: 0.5475538218215172 Energy: 0.5182296194311201 Energy: 0.5142245051261316 Energy: 0.5838142454582567 Energy: 0.5142245051261316 Energy: 0.5182296194322717 Energy: 0.5142245051192216 Energy: 0.5838142664623004 Energy: 0.5182296194322717 Energy: 0.5142245051221007 Energy: 0.5367320833444785 Energy: 0.5142245051192216 Energy: 0.5182296194322717 Energy: 0.5142245051267074 Energy: 0.5367320890329144 Energy: 0.5182296194322717 Energy: 0.5142245051232524 Energy: 0.6484376013012974 Energy: 0.5142245051249799 Energy: 0.5182296194334235 Energy: 0.514224505124404 Energy: 0.6484375993938447 Energy: 0.5182296194363026 Energy: 0.5142245051261316 Energy: 0.5905266752368517 Energy: 0.5142245051261316 Energy: 0.5182296194328476 Energy: 0.5142245051192216 Energy: 0.5905266773175782 Energy: 0.5182296194339994 Energy: 0.5142245051215248 Energy: 0.642612838355212 Energy: 0.5142245051186457 Energy: 0.5182296194345751 Energy: 0.5142245051261316 Energy: 0.6426128383264463 Energy: 0.5182296194282409 Energy: 0.5142245051238282 Energy: 0.5576335753838684 Energy: 0.5142245051249799 Energy: 0.5182296194363026 Energy: 0.5142245051249799 Energy: 0.5576335764907013 Energy: 0.5182296194293926 Energy: 0.5142245051255557 Energy: 0.5222430954204351 Energy: 0.5142245051255557 Energy: 0.5182296194339994 Energy: 0.5142245051197973 Energy: 0.5222430868443187 Energy: 0.5182296194322717 Energy: 0.5142245051221007 Energy: 0.54010550433792 Energy: 0.5142245051192216 Energy: 0.5182296194270892 Energy: 0.5142245051267074 Energy: 0.5401055048380848 Energy: 0.5182296194357268 Energy: 0.5142245051238282 Energy: 0.4814970584035783 Energy: 0.514224505124404 Energy: 0.5182296194345751 Energy: 0.5142245051249799 Energy: 0.4814970480172468 Energy: 0.5182296194322717 Energy: 0.5142245051261316 Energy: 0.5848121126584652 Energy: 0.5142245051261316 Energy: 0.518229619431696 Energy: 0.5142245051192216 Energy: 0.5848121126578893 Energy: 0.5182296194345751 Energy: 0.5142245051215248 Energy: 0.557668796612161 Energy: 0.5142245051186457 Energy: 0.5182296194311201 Energy: 0.5142245051267074 Energy: 0.5576687966092817 Energy: 0.518229619424786 Energy: 0.5142245051232524 Energy: 0.5576687966087058 Energy: 0.514224505124404 Energy: 0.5182296194305442 Energy: 0.5142245051249799 Energy: 0.5576687966069783 Energy: 0.518229619435151 Energy: 0.5142245051255557 Energy: 0.5576687966098575 Energy: 0.5142245051261316 Energy: 0.5182296194339994 Energy: 0.5142245051192216 Energy: 0.5576687966092817 Energy: 0.5182296194305442 Energy: 0.5142245051221007 Energy: 0.5576687966087058 Energy: 0.5142245051192216 Energy: 0.518229619435151 Energy: 0.5142245051267074 Energy: 0.5576687966075542 Energy: 0.5182296194305442 Energy: 0.5142245051238282 Energy: 0.5576687966040992 Energy: 0.514224505124404 Energy: 0.5182296194334235 Energy: 0.5142245051249799 Energy: 0.5576687966092817 Energy: 0.5182296194270892 Energy: 0.5142245051261316 Energy: 0.5576687966069783 Energy: 0.5142245051261316 Energy: 0.5182296194299685 Energy: 0.5142245051197973 Energy: 0.5576687966115851 Energy: 0.5182296194339994 Energy: 0.5142245051215248 Energy: 0.5576687966133126 Energy: 0.5142245051186457 Energy: 0.5182296194334235 Energy: 0.5142245051255557 Energy: 0.5576687966179192 Energy: 0.518229619431696 Energy: 0.5142245051232524 Energy: 0.5576687966144642 Energy: 0.5142245051255557 Energy: 0.5182296194328476 Energy: 0.5142245051255557 Energy: 0.5576687966144642 Energy: 0.5182296194345751 Energy: 0.5142245051255557 Energy: 0.5576687966179192 Energy: 0.5142245051261316 Energy: 0.5182296194311201 Energy: 0.5142245051192216 Energy: 0.5576687966110093 minimum gb energy = 0.4814970480172468 eV minimum distance = 2.64674180225654 Angstroms sigma value = 23