Model name: model_name=EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.614999994635582 cohesive_energy=3.5402781770682505 mass=63.546 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: -2.00930524461851e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.016767768365500438 Energy: 0.41913104789414346 Energy: 0.43639359710560177 Energy: 0.4191598206877592 Energy: 0.016767768365016766 Energy: 0.4191310478943995 Energy: 0.4363935971050896 Energy: 0.43584758087707665 Energy: 0.01722619982583138 Energy: 0.22658052712749135 Energy: 0.017103123254922206 Energy: 0.435847580874829 Energy: 0.017226199826827167 Energy: 0.22658052712723534 Energy: 0.016767768365500438 Energy: 0.41913104789414346 Energy: 0.43639359710534575 Energy: 0.4191598206877592 Energy: 0.016767768365016766 Energy: 0.41913104789414346 Energy: 0.4363935971048336 Energy: 0.43584758087707665 Energy: 0.01722619982583138 Energy: 0.22658052712697926 Energy: 0.017103123254922206 Energy: 0.4358475808745729 Energy: 0.017226199826827167 Energy: 0.22658052712723534 Energy: 0.016767768365500438 Energy: 0.41913104789414346 Energy: 0.4363935971050896 Energy: 0.4191598206880152 Energy: 0.016767768365016766 Energy: 0.4191310478943995 Energy: 0.4363935971048336 Energy: 0.43584758087707665 Energy: 0.01722619982583138 Energy: 0.22658052712749135 Energy: 0.01710312325514982 Energy: 0.435847580874829 Energy: 0.017226199826827167 Energy: 0.22658052712749135 minimum gb energy = 0.016767768365016766 eV minimum distance = 2.53343649873179 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.009633060805206 Energy: 0.9915758618765588 Energy: 0.9906746580722436 Energy: 0.9621502420112726 Energy: 1.009633060789912 Energy: 0.9915758618765588 Energy: 0.9981566521785427 Energy: 0.9505862312467254 Energy: 0.949651036349793 Energy: 0.9447805252333824 Energy: 0.9669930921145368 Energy: 0.9505862312437223 Energy: 0.9496510363559104 Energy: 0.9447805252425586 Energy: 0.9395865132628801 Energy: 0.9651959018255463 Energy: 0.9529251375400869 Energy: 0.9675002117826972 Energy: 0.9395865132659388 Energy: 0.9651959018255463 Energy: 0.9529251375400869 Energy: 1.0221741873945533 Energy: 0.9636960880355803 Energy: 0.9507095829646499 Energy: 0.9566456034998281 Energy: 1.0221741873792594 Energy: 0.9636960880264039 Energy: 0.9507095829646499 Energy: 0.9468481151734239 Energy: 0.938816729036732 Energy: 1.010156498414723 Energy: 0.9325954090327246 Energy: 0.9468481151734239 Energy: 0.9388167290275556 Energy: 1.002418674674574 Energy: 0.983285920125215 Energy: 0.9519548045841043 Energy: 0.9732580616992497 Energy: 0.947663839557134 Energy: 0.9832859201221563 Energy: 0.9519548045810458 Energy: 0.9732580616961908 Energy: 0.9380210229418012 Energy: 0.9535671187065021 Energy: 0.9658013017254373 Energy: 0.9699059477090198 Energy: 0.9380210229448599 Energy: 0.9535671187034432 Energy: 0.9658013017254373 Energy: 0.9395630246444178 Energy: 0.9419219275487244 Energy: 0.9573562532701181 Energy: 0.9399343261941479 Energy: 0.9395630246383002 Energy: 0.9419219275487244 Energy: 0.9573562532609419 Energy: 0.9317316654601318 Energy: 0.9611568244165256 Energy: 0.9461713889783187 Energy: 0.9459110882871558 Energy: 0.931731665457073 Energy: 0.9611568244104081 Energy: 0.9461713889844361 Energy: 0.9473409623432607 Energy: 0.9545789214432785 Energy: 0.9716313258389208 Energy: 0.9535854867494293 Energy: 0.9473409623493783 Energy: 0.9545789214432785 Energy: 0.9716313258419795 Energy: 0.9436310400337857 Energy: 0.9752662464265393 Energy: 0.9446947988959228 Energy: 1.0031135832177691 Energy: 0.9436310400307271 Energy: 0.9752662464295981 Energy: 0.9446947988898052 Energy: 0.9728495300579425 Energy: 0.9483882756677873 Energy: 0.9913770741201916 Energy: 0.9356527479759073 Energy: 0.972849530054884 Energy: 0.9483882756616697 Energy: 0.9913770741263092 Energy: 1.006090102049282 Energy: 0.9845212731574475 Energy: 0.9533442272074699 Energy: 0.9537615118128958 Energy: 1.0060901020553994 Energy: 0.9845212731635651 Energy: 0.9533442272105286 Energy: 0.9368856689894406 Energy: 0.978276382873422 Energy: 0.9435641125420545 Energy: 0.9405257962203684 Energy: 0.9368856689802644 Energy: 0.9782763828642457 Energy: 0.9435641125512306 Energy: 0.9474343216210233 Energy: 0.9495959096188212 Energy: 0.9676242841538927 Energy: 0.9578001852307068 Energy: 0.9474343216240819 Energy: 0.9495959096188212 Energy: 0.9676242841508339 Energy: 0.9823576162949591 Energy: 1.0087053253368112 Energy: 0.9891384123747635 Energy: 1.012021820703212 Energy: 0.9823576162980179 Energy: 1.0087053253215172 Energy: 0.98913841238394 Energy: 0.9471102279642918 Energy: 0.9591580974683979 Energy: 0.9550865802277195 Energy: 0.9699834101579831 Energy: 0.9471102279612329 Energy: 0.9591580974592216 Energy: 0.9550865802246608 Energy: 0.9381198104370058 Energy: 0.9422584085925084 Energy: 0.9569506025590795 Energy: 0.9717338479844166 Energy: 0.9381198104431232 Energy: 0.942258408598626 Energy: 0.9569506025560208 Energy: 0.9605018788408078 Energy: 0.9552673954753593 Energy: 0.9758242055213325 Energy: 0.9606764953640499 Energy: 0.9605018788377492 Energy: 0.9552673954875943 Energy: 0.9758242055060388 Energy: 0.9459697841106929 Energy: 0.945147105703142 Energy: 0.9510474143060348 Energy: 0.9337320624467519 Energy: 0.9459697840984578 Energy: 0.9451471057000832 Energy: 0.9510474143060348 Energy: 0.9333009598541491 Energy: 0.9497381155594898 Energy: 0.9552550769937467 Energy: 0.950642728797646 Energy: 0.9333009598510904 Energy: 0.9497381155594898 Energy: 0.9552550769845706 Energy: 0.9399637096276706 Energy: 0.9446951079843423 Energy: 0.9493228701439472 Energy: 0.9452626429847606 Energy: 0.9399637096337882 Energy: 0.9446951079751661 Energy: 0.9493228701348267 Energy: 0.9417049997566226 Energy: 0.9396323886603368 Energy: 0.9758970210453096 Energy: 0.9378869646151022 Energy: 0.9417049997596814 Energy: 0.9396323886633956 Energy: 0.9758970210361889 Energy: 0.9873836168364253 Energy: 0.9510851421526987 Energy: 0.9528327354664995 Energy: 0.9528403597331774 Energy: 0.9873836168333664 Energy: 0.9510851421526987 Energy: 0.9528327354603819 Energy: 0.9483784335736566 Energy: 0.9538783551166522 Energy: 0.9771894478522113 Energy: 0.9701743250476689 Energy: 0.9483784335644801 Energy: 0.9538783551227697 Energy: 0.9718766855419224 Energy: 0.9489119155849022 Energy: 0.9752453785375451 Energy: 0.9444686987388793 Energy: 0.9885136993224725 Energy: 0.9489119155665495 Energy: 0.9752453785375451 Energy: 0.9444686987480554 Energy: 0.9969897334805553 Energy: 0.9598587998258199 Energy: 0.9716020577478943 Energy: 0.9441019178847551 Energy: 0.9969897334836141 Energy: 0.9598587998197025 Energy: 0.9716020577417768 Energy: 0.9808439921804956 Energy: 0.9842825694392544 Energy: 0.9707852930959313 Energy: 0.9864870605211306 Energy: 0.9808439921713192 Energy: 0.9842825694361955 Energy: 0.9707852930959313 Energy: 0.9932627786883993 Energy: 0.9547553242298208 Energy: 0.952699159303974 Energy: 0.9367172440466819 Energy: 0.993262778679223 Energy: 0.9547553242298208 Energy: 0.9526991592947976 Energy: 0.9489800482120014 Energy: 0.941178469119447 Energy: 0.979973551518836 Energy: 0.9584472567025607 Energy: 0.9489800482120014 Energy: 0.9411784691286234 Energy: 0.9799735515157773 Energy: 0.9483813129200465 Energy: 0.9942571553760188 Energy: 0.9616942993937805 Energy: 0.9878136063460253 Energy: 0.9483813129231053 Energy: 0.9942571553607248 Energy: 0.9616942993846044 Energy: 0.9803374107714974 Energy: 0.942549814005609 Energy: 0.9656063008496981 Energy: 0.9446646622196633 Energy: 0.9803374107714974 Energy: 0.9425498139933739 Energy: 0.9656063008680507 Energy: 0.9505990414042351 Energy: 0.9453906234755238 Energy: 0.963086967336548 Energy: 0.9399260788686926 Energy: 0.9505990414042351 Energy: 0.9453906234938764 Energy: 0.9630869673334893 Energy: 0.956678137407745 Energy: 0.9475790867860698 Energy: 0.9783599634803166 Energy: 0.9408887678641822 Energy: 0.9566781374046863 Energy: 0.9475790867952459 Energy: 0.9783599634803166 Energy: 0.933146459827043 Energy: 0.9416136162267943 Energy: 0.9726533767669621 Energy: 0.9417407696279362 Energy: 0.9331464598331606 Energy: 0.9416136162359705 Energy: 0.9726533767700208 Energy: 0.9460782268224536 Energy: 0.954467173735493 Energy: 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0.9775021252334968 Energy: 0.9739483610191589 Energy: 0.9580105482535461 Energy: 0.9771667250981279 Energy: 0.9611635781746257 Energy: 0.95223916585174 Energy: 0.9525035584408601 Energy: 0.9771667250889517 Energy: 0.9611635781838022 Energy: 0.9522391658578575 Energy: 1.0141969413709013 Energy: 0.968071490650656 Energy: 0.9563359584649164 Energy: 0.9816187068519808 Energy: 1.0141969413770189 Energy: 0.9680714906293002 Energy: 0.9563359584710338 Energy: 0.9971666066700842 Energy: 0.9404065930107066 Energy: 0.9962955238757027 Energy: 0.9482654518308398 Energy: 0.9971666066578491 Energy: 0.9404065930107066 Energy: 0.9962955238726441 Energy: 0.9223121442234242 Energy: 0.9585134984709341 Energy: 0.9630281435487611 Energy: 0.9593584243453078 Energy: 0.9223121442295417 Energy: 0.9585134984739929 Energy: 0.9630281435487611 Energy: 0.9459322129890745 Energy: 0.9920355272914483 Energy: 0.9848126203794786 Energy: 0.9855578425990574 Energy: 0.945932212982957 Energy: 0.9920355273098007 Energy: 0.9848126203703024 Energy: 0.9252024491727335 Energy: 0.948934333191409 Energy: 0.9668073904948116 Energy: 0.9517051032108609 Energy: 0.925202449166616 Energy: 0.9489343331822325 Energy: 0.9668073904948116 minimum gb energy = 0.9223121442234242 eV minimum distance = 2.27358910823457 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 0.9529475230795539 Energy: 0.9790962167535396 Energy: 0.9715391784255424 Energy: 0.9736025318668167 Energy: 0.9529475230795539 Energy: 0.979096216752151 Energy: 0.9715391784331807 Energy: 0.9388173159300112 Energy: 0.9563427358508266 Energy: 1.0376900102658844 Energy: 0.9660003094596131 Energy: 0.9388173159286224 Energy: 0.9563427358466602 Energy: 0.9875057362342484 Energy: 0.9363966671464572 Energy: 0.9643522836409361 Energy: 0.9884998818652149 Energy: 0.966365396248557 Energy: 0.9363966671478462 Energy: 0.9643522836402415 Energy: 0.9884998818659093 Energy: 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0.9459252682123348 Energy: 0.9990344401771847 Energy: 0.951515684994767 Energy: 0.9817050892645413 Energy: 0.9875329368787908 Energy: 0.9553803906010538 Energy: 0.9515156849954615 Energy: 0.9817050892572816 Energy: 0.9875329368784123 Energy: 0.9515350931187226 Energy: 0.9942176152998584 Energy: 0.9460090710094189 Energy: 0.9617963779268703 Energy: 0.951535093119417 Energy: 0.9942176152929143 Energy: 0.9460090710059468 Energy: 0.9362771786307807 Energy: 0.9648666193602713 Energy: 1.045482412866886 Energy: 0.972883480955732 Energy: 0.9362771786300863 Energy: 0.9648666193588824 Energy: 1.0454824128620253 Energy: 0.9501080514987764 Energy: 0.9582016229635284 Energy: 0.963601099221259 Energy: 0.9706321372574652 Energy: 0.9501080514977663 Energy: 0.9582016229683891 Energy: 0.963601099211853 Energy: 0.9538997796632553 Energy: 0.9790962167559385 Energy: 0.9715391784227647 Energy: 0.973602531861956 Energy: 0.9538997796663485 Energy: 0.9790962167524666 Energy: 0.9715391784269312 Energy: 0.9388173159313999 Energy: 0.9563427358494379 Energy: 0.9875057362297033 Energy: 0.9684912987670538 Energy: 0.9388173159290012 Energy: 0.9563427358466602 Energy: 0.9875057362349429 minimum gb energy = 0.9362771786286975 eV minimum distance = 2.26861596528581 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.0118112985674754 Energy: 0.9762675843509145 Energy: 1.0132253087972323 Energy: 0.9651496328252194 Energy: 1.0118112985678764 Energy: 0.9762675843509145 Energy: 1.019622464161657 Energy: 1.0527480858473226 Energy: 1.0207655202986547 Energy: 1.0132634342090183 Energy: 0.9856188673388997 Energy: 1.0527480858485252 Energy: 1.020765520297452 Energy: 1.0132634342078155 Energy: 0.9749986516752087 Energy: 0.9682872219713128 Energy: 1.0457631130899807 Energy: 0.9728192832433556 Energy: 0.9749986516732043 Energy: 0.968287221970511 Energy: 1.0404597612546662 Energy: 0.9884831879544029 Energy: 0.9579057181002162 Energy: 1.036057543543569 Energy: 0.9475476789957367 Energy: 0.9884831879576101 Energy: 0.9579057180994144 Energy: 1.0360575435447716 Energy: 0.9936541104046059 Energy: 0.9654952752724422 Energy: 0.9902442890206825 Energy: 0.9851097269152863 Energy: 0.9936541104030024 Energy: 0.9654952752696359 Energy: 1.0435801191767073 Energy: 0.9608729835942968 Energy: 0.9944035055830124 Energy: 0.9738950068477324 Energy: 0.9752296669873692 Energy: 0.9608729835918913 Energy: 0.9944035055818097 Energy: 0.9738950068492997 Energy: 0.9585896804832202 Energy: 0.9689753351534404 Energy: 0.98503734514649 Energy: 0.9824765876054427 Energy: 0.958589680484423 Energy: 0.9689753351510347 Energy: 0.9935215475577517 Energy: 0.9956516047685962 Energy: 0.9676086459450584 Energy: 0.988030060496717 Energy: 0.9656100113615003 Energy: 0.9956516047714027 Energy: 0.9676086459466621 Energy: 0.9880300604975188 Energy: 0.9807393519887775 Energy: 0.9739326017709549 Energy: 0.9753084689286554 Energy: 0.9765157822123365 Energy: 0.9807393519931875 Energy: 0.9739326017701531 Energy: 0.9753084689282547 Energy: 0.9623193117435032 Energy: 0.9817120116236898 Energy: 1.0221315842288263 Energy: 0.9658630459692202 Energy: 0.9623193117431023 Energy: 0.9817120116256944 Energy: 1.0221315842340382 Energy: 1.0210938206571527 Energy: 0.9754944130843306 Energy: 1.003081078786796 Energy: 0.9513282721106305 Energy: 1.0210938206567521 Energy: 0.9754944130875378 Energy: 1.0030810787855935 Energy: 1.0088402154665952 Energy: 0.998798354481607 Energy: 1.0091419398386117 Energy: 1.0474770316785227 Energy: 1.0088402154657934 Energy: 0.9987983544824088 Energy: 1.00914193983781 Energy: 1.0145585028091209 Energy: 1.0190534133451608 Energy: 1.0217601701913592 Energy: 0.9807776667232361 Energy: 1.0145585028063144 Energy: 1.01905341334476 Energy: 1.0217601701945667 Energy: 0.9919595047301053 Energy: 0.9827725602960844 Energy: 1.00729395078769 Energy: 0.9850199769681998 Energy: 0.9919595047289027 Energy: 0.9827725602964854 Energy: 1.0072939507852843 Energy: 1.012067739993013 Energy: 0.9619168176394373 Energy: 1.0458964605844487 Energy: 0.957179333273564 Energy: 1.012067739993013 Energy: 0.9619168176398382 Energy: 1.045896460582444 Energy: 1.0319423911651198 Energy: 0.98364564632504 Energy: 1.0196024741249632 Energy: 0.9870848160955223 Energy: 1.031942391165521 Energy: 0.98364564632504 Energy: 1.0196024741261662 Energy: 1.0113137386457196 Energy: 1.0024746417242767 Energy: 0.9872004042995055 Energy: 1.0205392167101854 Energy: 1.0113137386457196 Energy: 1.002474641723876 Energy: 0.9872004043011092 Energy: 0.9775988071805287 Energy: 0.9687985527564499 Energy: 0.988842974433158 Energy: 0.9802284237084207 Energy: 0.9775988071809297 Energy: 0.9687985527580535 Energy: 0.9888429744379691 Energy: 0.9769351604531221 Energy: 0.9635169171823605 Energy: 0.9775120845118068 Energy: 0.9709567051625626 Energy: 0.9769351604507165 Energy: 0.9635169171819596 Energy: 0.9759977191421849 Energy: 0.9953065616804058 Energy: 0.9659311826170751 Energy: 0.9732488724299171 Energy: 0.9768579652067727 Energy: 0.9953065616800049 Energy: 0.9659311826178769 Energy: 0.9732488724339262 Energy: 0.9625847878675352 Energy: 0.9843000463137529 Energy: 1.0257432739967196 Energy: 0.9616892252791271 Energy: 0.9625847878679362 Energy: 0.9843000463153566 Energy: 1.0257432739959178 Energy: 0.9706674804111486 Energy: 0.976116011800937 Energy: 0.9911606820836943 Energy: 0.9459506764503419 Energy: 0.9706674804083423 Energy: 0.9761160118005362 Energy: 0.9911606820865007 Energy: 0.9967181058362029 Energy: 0.9746596414194268 Energy: 0.9518324043871935 Energy: 0.9786071590923145 Energy: 0.9967181058386084 Energy: 0.9746596414206297 Energy: 0.9602658823423449 Energy: 0.9632947617314292 Energy: 1.0001565822278677 Energy: 1.0441451713656456 Energy: 0.9615444687724833 Energy: 0.9632947617310283 Energy: 1.000156582226264 Energy: 1.044145171368051 Energy: 0.9766831763596961 Energy: 0.9762560770109665 Energy: 1.034253883373746 Energy: 0.9842097407561942 Energy: 0.9766831763584936 Energy: 0.9762560770121691 Energy: 1.0313447263039752 Energy: 1.0036041710813552 Energy: 0.9557178927401981 Energy: 0.9985890277547316 Energy: 0.9636414753852449 Energy: 1.0036041710845625 Energy: 0.9557178927434055 Energy: 0.9985890277519253 Energy: 1.035466384420693 Energy: 0.9735620156838108 Energy: 1.031990379889999 Energy: 0.961259237455607 Energy: 1.0354663844214949 Energy: 0.9735620156854143 Energy: 1.018290694051039 Energy: 1.0090195643049789 Energy: 1.0210980375053775 Energy: 0.9877053553278541 Energy: 1.0213027083681432 Energy: 1.0090195643045776 Energy: 1.0210980375073824 Energy: 0.9877053553262504 Energy: 0.9792467787317208 Energy: 0.9632343794419288 Energy: 1.0441363835508417 Energy: 0.9715730045010506 Energy: 0.9792467787289144 Energy: 0.9632343794407261 Energy: 1.0441363835464317 Energy: 0.9785244782616129 Energy: 0.9633693854925777 Energy: 1.0352175513547948 Energy: 0.9575757789458236 Energy: 0.9785244782604102 Energy: 0.9633693854937804 Energy: 1.0352175513559974 Energy: 0.973375445375353 Energy: 0.9654519866151234 Energy: 1.031649822261798 Energy: 0.9767755372703515 Energy: 0.9733754453737494 Energy: 0.9654519866139206 Energy: 1.0564804659829004 Energy: 0.9641411375184631 Energy: 0.945882495339756 Energy: 0.976011716988614 Energy: 0.9749032583703993 Energy: 0.9641411375196658 Energy: 0.9458824953401568 Energy: 0.9760117169862087 Energy: 0.9728014898209633 Energy: 0.9809306352285841 Energy: 0.9930947428853136 Energy: 0.983901230466177 Energy: 0.9728014898181568 Energy: 0.9809306352301879 Energy: 0.993094742887719 Energy: 0.960026482239889 Energy: 0.9873931062084922 Energy: 1.0160328224649662 Energy: 0.9668531859267714 Energy: 0.960026482239889 Energy: 0.9873931062068885 Energy: 1.0160328224677726 Energy: 0.9627669812428086 Energy: 1.0068396567640676 Energy: 1.0705521427314306 Energy: 0.9684954514188681 Energy: 0.9627669812424077 Energy: 1.0068396567632658 Energy: 1.0476627832668304 Energy: 0.9631300243613717 Energy: 0.9832321749254515 Energy: 1.0297798195120191 Energy: 0.9659242457694995 Energy: 0.9631300243645791 Energy: 0.9832321749258522 Energy: 1.0297798195116183 minimum gb energy = 0.945882495339756 eV minimum distance = 2.2965342168711 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 0.9575614947741066 Energy: 0.9891931032409742 Energy: 1.0017063139168578 Energy: 0.9889525928918709 Energy: 0.9575614947636972 Energy: 0.9891931032409742 Energy: 1.0191872378398052 Energy: 0.9461346261441402 Energy: 0.9729394126171442 Energy: 0.9095661051395952 Energy: 0.9676515444986633 Energy: 0.9461346261403552 Energy: 0.9729394126190368 Energy: 0.9095661051395952 Energy: 0.9577071472731873 Energy: 0.8962979401237521 Energy: 0.9743574984689701 Energy: 0.9601264427748926 Energy: 0.9577071472788652 Energy: 0.8962979401379467 Energy: 0.9743574984722823 Energy: 0.954175097754531 Energy: 0.9984943807365655 Energy: 0.90971763595089 Energy: 0.9858981256395155 Energy: 0.9541750977445947 Energy: 0.9984943807365655 Energy: 0.9097176359423732 Energy: 1.018112631693377 Energy: 0.9601948693139083 Energy: 0.9413293409840577 Energy: 0.960140933890407 Energy: 1.018112631699055 Energy: 0.9601948693143815 Energy: 0.9585477863971292 Energy: 0.954102653793718 Energy: 0.9665244736737583 Energy: 1.0363899971747517 Energy: 0.978334380358773 Energy: 0.9541026538003421 Energy: 0.9665244736756509 Energy: 1.0363899971752248 Energy: 1.0932372911673904 Energy: 0.960636429724799 Energy: 0.99174599796614 Energy: 0.9597972208478612 Energy: 1.0932372911716488 Energy: 0.9606364297177017 Energy: 0.993502586694467 Energy: 0.9623551534550642 Energy: 0.9067372402236281 Energy: 1.0682569305787417 Energy: 0.9068272593413743 Energy: 0.96235515345743 Energy: 0.9067372402302524 Energy: 1.0682569305834733 Energy: 1.0932303071471734 Energy: 0.9596522585954778 Energy: 0.9800371025849528 Energy: 0.9606688175650094 Energy: 1.0932303071424418 Energy: 0.9596522586058872 Energy: 0.9800371025835333 Energy: 0.954230898354282 Energy: 0.978295465108173 Energy: 1.0361813506368562 Energy: 0.966451815222313 Energy: 0.9542308983438726 Energy: 0.978295465114797 Energy: 1.0361813506368562 Energy: 1.0181597431154306 Energy: 0.9600904231238657 Energy: 0.9409572800838771 Energy: 0.9597882066623098 Energy: 1.018159743114011 Energy: 0.9600904231300169 Energy: 0.9808729863481093 Energy: 0.9542100022604032 Energy: 0.9857300191214052 Energy: 0.9096465566171832 Energy: 0.9985776934221516 Energy: 0.9542100022707696 Energy: 0.9857300191190397 Energy: 0.9096465566209685 Energy: 0.9577026829241949 Energy: 0.9601889854696585 Energy: 0.9683234107279234 Energy: 0.896079817013004 Energy: 0.9577026829204098 Energy: 0.9601889854677659 Energy: 0.9683234107255576 Energy: 0.9462734415667952 Energy: 0.9984866566292823 Energy: 0.909530406175146 Energy: 0.9730228791203376 Energy: 0.9462734415710535 Energy: 0.9984866566202922 Energy: 0.9095304061704144 Energy: 0.9575614947769455 Energy: 0.989193103240028 Energy: 1.0191872378369662 Energy: 0.9889525928909245 Energy: 0.9575614947665362 Energy: 0.9891931032428668 Energy: 1.019187237838859 Energy: 0.9461346261441402 Energy: 0.972939412616671 Energy: 0.9095661051405415 Energy: 0.9676515444981902 Energy: 0.9461346261408283 Energy: 0.9729394126185636 Energy: 0.9095661051400684 Energy: 0.9577071472731873 Energy: 0.896297940126591 Energy: 0.9743574984703897 Energy: 0.9601264427725268 Energy: 0.9577071472788652 Energy: 0.8962979401407858 Energy: 0.9743574984751213 Energy: 0.9541750977535848 Energy: 0.9984943807365655 Energy: 0.9097176359504169 Energy: 0.9858981256395155 Energy: 0.9541750977427021 Energy: 0.9984943807365655 Energy: 0.9097176359423732 Energy: 1.0181126317028402 Energy: 0.9601948693134351 Energy: 0.9585477863990218 Energy: 0.9601409338913532 Energy: 1.0181126317132065 Energy: 0.960194869315801 Energy: 0.9585477863976023 Energy: 0.9541026537946642 Energy: 0.966524473676124 Energy: 1.0363899971738053 Energy: 0.9783343803578266 Energy: 0.9541026538003421 Energy: 0.9665244736770704 Energy: 1.0363899971752248 Energy: 1.09323729116881 Energy: 0.9606364297243258 Energy: 0.9935025866977791 Energy: 0.9597972208454955 Energy: 1.093237291172595 Energy: 0.960636429718648 Energy: 0.9935025866939938 Energy: 0.9623551534560104 Energy: 0.9067372402226819 Energy: 1.0682569305806342 Energy: 0.9068272593409012 Energy: 0.9623551534583762 Energy: 0.9067372402288328 Energy: 1.068256930584893 Energy: 1.0932303071457539 Energy: 0.9596522585964241 Energy: 0.9507210513356875 Energy: 0.960668817566902 Energy: 1.0932303071410223 Energy: 0.9596522586044677 Energy: 0.9507210513304829 Energy: 0.954230898354282 Energy: 0.9782954651058072 Energy: 1.0361813506373294 Energy: 0.9664518152208937 Energy: 0.9542308983443459 Energy: 0.9782954651138507 Energy: 1.0361813506382758 Energy: 1.018159743123001 Energy: 0.9600904231243389 Energy: 0.965286204644285 Energy: 0.9597882066462654 Energy: 1.018159743128679 Energy: 0.96009042313049 Energy: 0.9652862046438119 Energy: 0.9542100022618227 Energy: 0.9857300191237282 Energy: 0.9096465566186026 Energy: 0.9985776934226248 Energy: 0.9542100022717159 Energy: 0.985730019120459 Energy: 0.9096465566219148 Energy: 0.9577026829237218 Energy: 0.9601889854691854 Energy: 0.9683234107321816 Energy: 0.8960798170115845 Energy: 0.9577026829189904 Energy: 0.9601889854639807 Energy: 0.9683234107255576 Energy: 0.9462734415663221 Energy: 0.9984866566297553 Energy: 0.9095304061741997 Energy: 0.973022879118918 Energy: 0.9462734415715268 Energy: 0.9984866566250238 Energy: 0.909530406169468 Energy: 0.9575614947736335 Energy: 0.9891931032428668 Energy: 1.019187237838859 Energy: 0.9889525928918709 Energy: 0.957561494763224 Energy: 0.9891931032414474 Energy: 1.0191872378398052 Energy: 0.9461346261441402 Energy: 0.9729394126161979 Energy: 0.9095661051395952 Energy: 0.9676515444977171 Energy: 0.9461346261403552 Energy: 0.9729394126176174 Energy: 0.9095661051395952 minimum gb energy = 0.8960798170115845 eV minimum distance = 2.33208583113311 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.0053398956798811 Energy: 1.0256587064168001 Energy: 1.005370783383738 Energy: 1.0257391777803708 Energy: 1.00533989568103 Energy: 1.0256587064168001 Energy: 1.005370783382015 Energy: 1.0133746265364274 Energy: 0.9589437675358085 Energy: 0.9008830745510265 Energy: 0.9582571928271031 Energy: 1.0133746265352785 Energy: 0.9589437675352341 Energy: 0.900883074550452 Energy: 0.997319716497587 Energy: 0.941817475148507 Energy: 0.9816847859559359 Energy: 0.9532029708154459 Energy: 0.9973197164993102 Energy: 0.9418174751479327 Energy: 0.9816847859547871 Energy: 1.0118009769883531 Energy: 0.9575969343903343 Energy: 0.9374517937624357 Energy: 0.9588069425990979 Energy: 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0.973776569356715 Energy: 0.9979140402559198 Energy: 0.9526920134629524 Energy: 0.9279877623811338 Energy: 0.9588166986207788 Energy: 0.997914040253048 Energy: 0.9526920134606548 Energy: 0.9279877623817082 Energy: 1.0106952241668388 Energy: 0.9683984869604974 Energy: 0.985240801792542 Energy: 0.9659930197780848 Energy: 1.0106952241622436 Energy: 0.9683984869622204 Energy: 0.9748884548652731 Energy: 0.9052415844374997 Energy: 0.9222791693282618 Energy: 0.9227589169919602 Energy: 0.9227769471631915 Energy: 0.9052415844369254 Energy: 0.9222791693311336 Energy: 0.9227589169925345 Energy: 1.014335382626266 Energy: 0.9658319564739078 Energy: 0.984190765655029 Energy: 0.9586589170441981 Energy: 1.014335382629138 Energy: 0.965831956475631 Energy: 0.984190765655029 Energy: 0.9051786728197954 Energy: 0.9214173073821353 Energy: 0.9876519247662603 Energy: 0.9230785131907757 Energy: 0.9051786728174979 Energy: 0.921417307383284 Energy: 0.9876519247651114 Energy: 1.0181416464931243 Energy: 0.9215835479812963 Energy: 0.9476593205595362 Energy: 0.9588441904110595 Energy: 1.0181416464931243 Energy: 0.921583547980722 Energy: 0.9476593205618338 Energy: 0.9054677147293027 Energy: 1.005698672416153 Energy: 0.9698272870048682 Energy: 0.973708577467667 Energy: 0.9054677147281539 Energy: 1.00569867241443 Energy: 0.9698272870077401 Energy: 1.0183291185786607 Energy: 0.9195799293903173 Energy: 1.0527148874823844 Energy: 0.9586582666483068 Energy: 1.0183291185803838 Energy: 0.9195799293891684 Energy: 1.0527148874841075 Energy: 0.9052162792838575 Energy: 0.9637209124070713 Energy: 0.9698935617908797 Energy: 1.0056914687892486 Energy: 0.9052162792867293 Energy: 0.9637209124070713 Energy: 0.9698935617943 Energy: 0.9897367142260154 Energy: 0.9195396116087373 Energy: 1.0353310091815082 Energy: 0.9615940533061336 Energy: 0.9897367142231435 Energy: 0.9195396116093117 Energy: 1.0353310091746157 Energy: 0.9054002226700149 Energy: 0.9989120377116018 Energy: 0.9735270864188863 Energy: 0.9987727039562213 Energy: 0.9054002226671428 Energy: 0.9989120377098786 Energy: 0.9735270864177374 Energy: 0.9897260697845247 Energy: 0.9614071976318472 Energy: 1.0353357396164018 Energy: 0.9204095607019462 Energy: 0.9897260697810785 Energy: 0.9614071976306985 Energy: 1.0353357396146785 Energy: 0.9052099469337439 Energy: 1.005702151103411 Energy: 0.9698566963713767 Energy: 0.9636359133572614 Energy: 0.9052099469320208 Energy: 1.0057021511051343 Energy: 0.9698566963690792 Energy: 1.0183206865621197 Energy: 0.9588244916695249 Energy: 1.0069609800918502 Energy: 0.9197388584176039 Energy: 1.0183206865632684 Energy: 0.9588244916683761 Energy: 1.0069609800970194 Energy: 0.9052708330348194 Energy: 0.9737878536781284 Energy: 0.9697914574373164 Energy: 1.0057023569064505 Energy: 0.9052708330348194 Energy: 0.9737878536827234 Energy: 0.9697914574396139 Energy: 1.0182280798653436 Energy: 0.9588312494921675 Energy: 0.9620914016593863 Energy: 0.9195718934868691 Energy: 1.018228079863046 Energy: 0.9588312494892955 Energy: 0.9620914016553654 minimum gb energy = 0.900883074550452 eV minimum distance = 2.32808177258844 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 0.9450334074518879 Energy: 1.0386334120961125 Energy: 0.916628519566598 Energy: 1.0386820447708227 Energy: 0.9450334074615049 Energy: 1.0386334121056713 Energy: 0.9166285195698036 Energy: 1.0080067595855922 Energy: 0.9859154072156041 Energy: 0.9174336894996664 Energy: 0.9868294679189002 Energy: 1.0080067595855922 Energy: 0.9859154072027816 Energy: 0.9174336894996664 Energy: 0.9450374148362243 Energy: 0.9865776813162634 Energy: 0.9886862963364348 Energy: 0.9630753056190678 Energy: 0.9450374148298131 Energy: 0.9865776813066466 Energy: 0.9886862963396404 Energy: 0.9121071074321143 Energy: 0.9922904900183158 Energy: 0.9219106250102488 Energy: 0.9931826263270418 Energy: 0.9121071074192916 Energy: 0.9922904900183158 Energy: 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0.9323871209544603 Energy: 0.9737423226785866 Energy: 0.9285406937700159 Energy: 0.9324298757038757 Energy: 0.9396257808763585 Energy: 0.9553346122475993 Energy: 0.9285406937603989 Energy: 0.9324298757006702 Energy: 0.9396257808763585 Energy: 0.9061300804838166 Energy: 0.9311633855767965 Energy: 0.9388424768293779 Energy: 0.9402001928703844 Energy: 0.9061300804934335 Energy: 0.9311633855639736 Energy: 0.9388424768325835 Energy: 0.9355317299610243 Energy: 0.9275113850192531 Energy: 0.9966975333757272 Energy: 0.9855541714056104 Energy: 0.9355317299706412 Energy: 0.9275113850128419 Energy: 0.9768937516874664 Energy: 0.9140004245469493 Energy: 0.9367139715072722 Energy: 1.0089739254211842 Energy: 0.9403987852493445 Energy: 0.9140004245629776 Energy: 0.9367139715072722 Energy: 1.008973925414773 Energy: 0.9350010610045514 Energy: 0.9827710870511325 Energy: 0.9478719466527471 Energy: 1.0452087157814545 Energy: 0.9350010610013456 Energy: 0.9827710870447213 Energy: 0.9863061451552965 Energy: 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0.9586785934882899 Energy: 0.9495833522873943 Energy: 0.9593571994797643 Energy: 1.0660022980612425 Energy: 0.9735247859255232 Energy: 0.9495833522970113 Energy: 0.9593571994797643 Energy: 1.0660022980580368 Energy: 0.9286311129188028 Energy: 0.9689420460265409 Energy: 0.947509210112891 Energy: 0.9741468710804468 Energy: 0.9286311129220085 Energy: 0.9689420460233352 Energy: 0.947509210103274 Energy: 0.9504097040308136 Energy: 0.9348278345529172 Energy: 0.9855986055836432 Energy: 0.9315676067495238 Energy: 0.9504097040179909 Energy: 0.9348278345593284 Energy: 0.9855986055932603 Energy: 0.905609863484141 Energy: 0.9744221456199127 Energy: 0.9469251125899038 Energy: 0.9914879358100378 Energy: 0.9056098634809353 Energy: 0.9744221456167071 Energy: 0.946925112605932 minimum gb energy = 0.9056098634809353 eV minimum distance = 2.31702116862161 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 0.8992085239827738 Energy: 0.8255771572353692 Energy: 0.9528217382759325 Energy: 0.8255771572353692 Energy: 0.8992085239849421 Energy: 0.8255771572346464 Energy: 0.8666149045716643 Energy: 0.8992085239849421 Energy: 0.8255771572332008 Energy: 0.9914632095655705 Energy: 0.8255771572368145 Energy: 0.8992085239834966 Energy: 0.8255771572339236 Energy: 0.8666149045673279 Energy: 0.8992085239863875 Energy: 0.8255771572389828 Energy: 0.9440848957915394 Energy: 0.8255771572339236 Energy: 0.8992085239834966 Energy: 0.8255771572382601 Energy: 0.866614904569496 Energy: 0.8992085239827738 Energy: 0.8255771572346464 Energy: 0.7718089658774906 Energy: 0.8255771572353692 Energy: 0.8992085239856648 Energy: 0.8255771572346464 Energy: 0.866614904569496 Energy: 0.8992085239856648 Energy: 0.8255771572332008 Energy: 0.8845941140318301 Energy: 0.8255771572382601 Energy: 0.8992085239849421 Energy: 0.8255771572339236 Energy: 0.8666149045687733 Energy: 0.8992085239849421 Energy: 0.8255771572389828 Energy: 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0.8666149045709416 Energy: 0.8992085239856648 Energy: 0.8255771572332008 Energy: 0.7118091414124321 Energy: 0.8255771572382601 Energy: 0.8992085239842195 Energy: 0.8255771572339236 Energy: 0.8666149045673279 Energy: 0.8992085239856648 Energy: 0.8255771572382601 Energy: 0.9213451821192583 Energy: 0.8255771572339236 Energy: 0.8992085239834966 Energy: 0.8255771572368145 Energy: 0.8666149045687733 Energy: 0.8992085239834966 Energy: 0.8255771572360918 Energy: 0.866614904569496 Energy: 0.8255771572346464 Energy: 0.8992085239849421 Energy: 0.8255771572346464 Energy: 0.8666149045702188 Energy: 0.8992085239856648 Energy: 0.8255771572332008 Energy: 0.7118043918356282 Energy: 0.8255771572368145 Energy: 0.8992085239834966 Energy: 0.8255771572339236 Energy: 0.8666149045680507 minimum gb energy = 0.7118043918356282 eV minimum distance = 2.41619507851929 Angstroms sigma value = 23