Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Mo__MO_228581001644_004 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Mo Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=3.158251941204071 cohesive_energy=6.380583344111484 mass=95.95 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 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: 0.016176222811318718 Energy: 0.017701355769950803 Energy: 0.016643163276318842 Energy: 0.01770135576953993 Energy: 0.016176222811318718 Energy: 0.017701355769950803 Energy: 0.017701355769950803 Energy: 4.565498688804076 Energy: 0.017701355769950803 Energy: 4.565498688804463 Energy: 0.017701355769950803 Energy: 4.565498688804076 Energy: 0.01664316327389924 Energy: 0.017701355769950803 Energy: 0.016176222811318718 Energy: 0.017701355770338854 Energy: 0.01664316326547629 Energy: 0.017701355769950803 Energy: 0.017701355769950803 Energy: 4.565498688802865 Energy: 0.017701355769950803 Energy: 4.565498688802865 Energy: 0.017701355769950803 Energy: 4.565498688803664 Energy: 0.016176222811318718 Energy: 0.017701355769950803 Energy: 0.01664316328113522 Energy: 0.01770135576953993 Energy: 0.016176222811318718 Energy: 0.017701355769950803 Energy: 0.017701355769950803 Energy: 4.565498688804076 Energy: 0.017701355769950803 Energy: 4.565498688803664 Energy: 0.017701355769950803 Energy: 4.565498688804076 minimum gb energy = 0.016176222811318718 eV minimum distance = 2.65815887054203 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 2.6654277142036635 Energy: 2.3588913200216255 Energy: 2.4654410253365433 Energy: 2.3588913200216255 Energy: 2.6654277142026745 Energy: 2.3588913200216255 Energy: 2.7194354398540272 Energy: 2.2175885726499134 Energy: 2.5395810160464385 Energy: 2.2175885726538693 Energy: 2.7194354398540272 Energy: 2.2175885726528803 Energy: 2.4915230646488107 Energy: 2.2168545666813277 Energy: 2.668706261502018 Energy: 2.2168545666813277 Energy: 2.4915386389154146 Energy: 2.2168545666813277 Energy: 2.515614971443512 Energy: 2.191877605003477 Energy: 2.449112002004268 Energy: 2.191877605005455 Energy: 2.515614971443512 Energy: 2.191877605004466 Energy: 2.6572724719053946 Energy: 2.323328046431488 Energy: 2.665715618721169 Energy: 2.323328046432477 Energy: 2.6572724719073726 Energy: 2.323328046432477 Energy: 2.7006528771460037 Energy: 2.2170410108180385 Energy: 2.495748663942426 Energy: 2.217041010819028 Energy: 2.7006528771440257 Energy: 2.217041010819028 Energy: 2.6673762561316883 Energy: 2.2170952117306286 Energy: 2.50722859567683 Energy: 2.217095211731617 Energy: 2.6673762561316883 Energy: 2.217095211731617 Energy: 2.693984145366596 Energy: 2.3232872569691425 Energy: 2.4536281557838175 Energy: 2.3232872569681535 Energy: 2.693984145366596 Energy: 2.3232872569681535 Energy: 2.507978976990484 Energy: 2.1108950998492264 Energy: 2.4485102220761585 Energy: 2.110895099848237 Energy: 2.5079789769588356 Energy: 2.110895099848237 Energy: 2.668636038444524 Energy: 2.2165221942317386 Energy: 2.4956620692035836 Energy: 2.2165221942307496 Energy: 2.668636038443535 Energy: 2.2165221942307496 Energy: 2.446347137881354 Energy: 2.1295313377690563 Energy: 2.4510971265135875 Energy: 2.129531337768067 Energy: 2.4463352852284146 Energy: 2.1295313377690563 Energy: 2.5213631494403637 Energy: 2.323745364956863 Energy: 2.5225021962256733 Energy: 2.323745364956863 Energy: 2.5213631492722737 Energy: 2.3237453649558737 Energy: 2.450504219977018 Energy: 2.084124730501116 Energy: 2.447232474557823 Energy: 2.0841247304991377 Energy: 2.450504220174734 Energy: 2.0841247304961703 Energy: 2.495735557116946 Energy: 2.216478641657087 Energy: 2.668357153731455 Energy: 2.216478641656098 Energy: 2.49577496627073 Energy: 2.216478641656098 Energy: 2.5263279050409553 Energy: 2.2026124271634426 Energy: 2.6567901285165716 Energy: 2.2026124271614647 Energy: 2.5263331758122716 Energy: 2.2026124271624536 Energy: 2.5215752007977748 Energy: 2.3588473521841693 Energy: 2.6992047126947862 Energy: 2.358847352185159 Energy: 2.5215753204140774 Energy: 2.358847352185159 Energy: 2.5108972049934017 Energy: 2.2170277139007615 Energy: 2.6675087812727574 Energy: 2.2170277139017505 Energy: 2.5108970624981803 Energy: 2.2170277139017505 Energy: 2.4955508401590007 Energy: 2.2170336949308282 Energy: 2.7005463786177675 Energy: 2.2170336949318172 Energy: 2.4950584268824425 Energy: 2.2170336949318172 Energy: 2.6658360575355258 Energy: 2.323575667078833 Energy: 2.6573659830851364 Energy: 2.323575667075866 Energy: 2.6658360575365143 Energy: 2.3235756670768555 Energy: 2.4494579246387684 Energy: 2.1922508153661475 Energy: 2.515283052885785 Energy: 2.1922508153651585 Energy: 2.449457924640746 Energy: 2.1922508153651585 Energy: 2.66887006112948 Energy: 2.2168937630007464 Energy: 2.4917919629752743 Energy: 2.2168937630066803 Energy: 2.668870061132447 Energy: 2.2168937630066803 Energy: 2.539644359483024 Energy: 2.2172981069709303 Energy: 2.4515266695170395 Energy: 2.2172981069719198 Energy: 2.539644359482035 Energy: 2.2172981069719198 Energy: 2.4654357707879866 Energy: 2.3236334435509827 Energy: 2.741187847739265 Energy: 2.3236334435499937 Energy: 2.4654617172153603 Energy: 2.3236334435499937 minimum gb energy = 2.0841247304961703 eV minimum distance = 2.54764859408735 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 2.767362659828218 Energy: 2.472468215386603 Energy: 2.623787781202491 Energy: 2.4724682153860402 Energy: 2.767362659850158 Energy: 2.4724682153854776 Energy: 2.7102871800603165 Energy: 2.2888195924519654 Energy: 2.616786574878289 Energy: 2.288819592451403 Energy: 2.7102871800631294 Energy: 2.288819592451403 Energy: 2.618888352977964 Energy: 2.473915956799067 Energy: 3.0537269478470424 Energy: 2.473915956799067 Energy: 2.618888352976839 Energy: 2.473915956799067 Energy: 2.6130435631663897 Energy: 2.252819809273082 Energy: 2.6093407497839602 Energy: 2.252819809271957 Energy: 2.6130435646868757 Energy: 2.252819809271957 Energy: 2.812783070308806 Energy: 2.3739526205531116 Energy: 2.9181975861832417 Energy: 2.37395262055255 Energy: 2.8127830703093686 Energy: 2.37395262055255 Energy: 2.6008253090285156 Energy: 2.3733830608057325 Energy: 2.6274867385324963 Energy: 2.3733830608057325 Energy: 2.600836616536235 Energy: 2.3733830608057325 Energy: 2.6039258732683166 Energy: 2.3735614276714183 Energy: 2.6360298655467256 Energy: 2.3735614276725436 Energy: 2.603919584369339 Energy: 2.3735614276725436 Energy: 2.635960381864084 Energy: 2.3739989461612967 Energy: 2.904958214155222 Energy: 2.373998946160172 Energy: 2.635960381863522 Energy: 2.373998946160172 Energy: 2.612869922443479 Energy: 2.253373790419956 Energy: 2.6024270436629946 Energy: 2.253373790419956 Energy: 2.6128924808004537 Energy: 2.253373790419956 Energy: 2.774126431502837 Energy: 2.4736470252522214 Energy: 2.7909216998511748 Energy: 2.473647025252784 Energy: 2.774126431503962 Energy: 2.473647025252784 Energy: 2.6021327090921225 Energy: 2.173909114376209 Energy: 2.615436912597422 Energy: 2.1739091143767713 Energy: 2.599656023752506 Energy: 2.173909114376209 Energy: 3.042001582258094 Energy: 2.373919887958136 Energy: 2.7131848415234057 Energy: 2.373919887957573 Energy: 3.042001582259219 Energy: 2.373919887958136 Energy: 2.6124224534442115 Energy: 2.336096752478526 Energy: 2.5986250839867067 Energy: 2.336096752478526 Energy: 2.6121538986114206 Energy: 2.336096752478526 Energy: 2.8346539088496767 Energy: 2.4761887853587137 Energy: 2.7676524518160455 Energy: 2.4761887853570257 Energy: 2.8346539088502394 Energy: 2.4761887853570257 Energy: 2.999189798237047 Energy: 2.3742709777565665 Energy: 2.617643176337514 Energy: 2.3742709777571283 Energy: 2.999189798237047 Energy: 2.3742709777571283 Energy: 2.99894058666556 Energy: 2.37407314142281 Energy: 2.713267568110557 Energy: 2.3740731414239353 Energy: 2.998940586666685 Energy: 2.3740731414244975 Energy: 2.615531072897934 Energy: 2.3734760676547904 Energy: 2.791338652206004 Energy: 2.373476067653102 Energy: 2.6157727285776016 Energy: 2.373476067653665 Energy: 2.6150066100932783 Energy: 2.288488419164995 Energy: 2.616705467290535 Energy: 2.2884884191644326 Energy: 2.6150066112926984 Energy: 2.28848841916387 Energy: 2.636673746988225 Energy: 2.37404680912297 Energy: 2.9052596543615135 Energy: 2.374046809123532 Energy: 2.636673746988225 Energy: 2.374046809123532 Energy: 2.61517136724634 Energy: 2.253619155394712 Energy: 2.601675008226902 Energy: 2.2536191553935865 Energy: 2.6157258226584195 Energy: 2.2536191553935865 Energy: 3.035218153996281 Energy: 2.4739495562612053 Energy: 2.626300600263793 Energy: 2.47394955626008 Energy: 3.035218153996844 Energy: 2.47394955626008 Energy: 2.601973973708406 Energy: 2.1737696703996097 Energy: 2.615854296786895 Energy: 2.173769670400734 Energy: 2.6019390790363466 Energy: 2.173769670400734 Energy: 2.7826564330400263 Energy: 2.374059111909989 Energy: 2.987466666882771 Energy: 2.374059111911677 Energy: 2.7826564330400263 Energy: 2.37405911191224 Energy: 3.01717086514142 Energy: 2.2889129410863 Energy: 2.616425984619389 Energy: 2.288912941085175 Energy: 3.01717086514142 Energy: 2.288912941085175 Energy: 2.8270328746469957 Energy: 2.373427110351846 Energy: 3.054259993872539 Energy: 2.373427110351846 Energy: 2.8270328746453077 Energy: 2.373427110351846 Energy: 2.798222674651826 Energy: 2.4745901073643255 Energy: 2.6361194533073347 Energy: 2.474590107364888 Energy: 2.798222674654639 Energy: 2.474590107365451 Energy: 2.798096504443794 Energy: 2.47454624708369 Energy: 2.64387826526629 Energy: 2.4745462470842527 Energy: 2.798096504441544 Energy: 2.47454624708369 Energy: 2.827141201681476 Energy: 2.3734323929705416 Energy: 3.054281948289284 Energy: 2.373432392971667 Energy: 2.827141201682038 Energy: 2.373432392971667 Energy: 3.0171681594786643 Energy: 2.288890228643474 Energy: 2.6163960759890044 Energy: 2.288890228643474 Energy: 3.017168159480915 Energy: 2.288890228643474 Energy: 2.7826124583138228 Energy: 2.374090425872264 Energy: 2.9180353702965625 Energy: 2.3740904258717013 Energy: 2.782612458312698 Energy: 2.3740904258717013 Energy: 2.6019997994127095 Energy: 2.1737696703967964 Energy: 2.616114657914367 Energy: 2.1737696703984843 Energy: 2.602007707766347 Energy: 2.1737696703984843 Energy: 3.034686011139872 Energy: 2.4739209726120595 Energy: 2.6263075039205894 Energy: 2.4739209726120595 Energy: 3.0346860111393092 Energy: 2.473920972610934 Energy: 2.6150259449059674 Energy: 2.253614600209806 Energy: 2.6017387903806135 Energy: 2.253614600209806 Energy: 2.6146486430422695 Energy: 2.253614600209806 Energy: 2.6366709398303434 Energy: 2.3741709187799853 Energy: 2.7746438719698 Energy: 2.37417091877886 Energy: 2.636670939832032 Energy: 2.3741709187782973 Energy: 2.6135491479122246 Energy: 2.288489182189435 Energy: 2.6277980618580417 Energy: 2.2884891821871847 Energy: 2.613549143446913 Energy: 2.2884891821871847 Energy: 2.6154050244100313 Energy: 2.373470119859629 Energy: 2.791712590278436 Energy: 2.373470119859629 Energy: 2.61541579008986 Energy: 2.373470119860192 Energy: 2.9992850881123596 Energy: 2.374078314811903 Energy: 2.7054924454569416 Energy: 2.3740783148107782 Energy: 2.9992850881123596 Energy: 2.3740783148107782 Energy: 2.9991578955989295 Energy: 2.3743024837895796 Energy: 2.61769350166396 Energy: 2.3743024837884543 Energy: 2.9991578955983673 Energy: 2.374302483789017 Energy: 2.8346996971323604 Energy: 2.473936103672081 Energy: 2.767381631529603 Energy: 2.473936103672081 Energy: 2.8346996971317973 Energy: 2.473936103672081 Energy: 2.612162240555234 Energy: 2.336121493075706 Energy: 2.598531115224448 Energy: 2.3361214930762686 Energy: 2.6121611476540036 Energy: 2.336121493075706 Energy: 3.042022429498399 Energy: 2.3739231521211432 Energy: 2.707484793523031 Energy: 2.3739231521205806 Energy: 3.0420224294967113 Energy: 2.3739231521205806 minimum gb energy = 2.1737696703967964 eV minimum distance = 2.53834228093291 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 2.99150769262866 Energy: 2.680882644421785 Energy: 2.491876538315796 Energy: 2.680882644421785 Energy: 2.991507692629964 Energy: 2.680882644421785 Energy: 2.7545488575805908 Energy: 2.4347501950211803 Energy: 2.909059640845747 Energy: 2.4347501950211803 Energy: 2.7545488575805908 Energy: 2.4347501950211803 Energy: 2.745837085309598 Energy: 2.5736461119535523 Energy: 3.016077505721968 Energy: 2.573646111952249 Energy: 2.745837085309598 Energy: 2.573646111952249 Energy: 2.754424411133223 Energy: 2.4340629144565185 Energy: 2.9090247850931594 Energy: 2.434062914455215 Energy: 2.754424411133223 Energy: 2.4340629144539117 Energy: 2.744306724783189 Energy: 2.432935150137235 Energy: 3.0163499194764953 Energy: 2.4329351501359318 Energy: 2.744306724783189 Energy: 2.4329351501359318 Energy: 3.0431938066377042 Energy: 2.324974883195984 Energy: 2.909093117363853 Energy: 2.324974883195984 Energy: 3.0431938066377042 Energy: 2.324974883195984 Energy: 3.0451940715968577 Energy: 2.3257084927392637 Energy: 2.7796477839065283 Energy: 2.3257084927418705 Energy: 3.0451940715955548 Energy: 2.3257084927418705 Energy: 2.74332024108975 Energy: 2.4325350401168544 Energy: 2.806848324756382 Energy: 2.4325350401168544 Energy: 2.74332024108975 Energy: 2.4325350401168544 Energy: 3.0452118648808995 Energy: 2.341389156268803 Energy: 2.6034095746544796 Energy: 2.341389156268803 Energy: 3.045211864882203 Energy: 2.3413891562701066 Energy: 2.7444621029334866 Energy: 2.5729614314620575 Energy: 2.806630723323138 Energy: 2.572961431460754 Energy: 2.7444621029295764 Energy: 2.572961431460754 Energy: 2.994034850940388 Energy: 2.4869737489988326 Energy: 2.908664070460851 Energy: 2.4869737489988326 Energy: 2.994034850940388 Energy: 2.486973749000136 Energy: 2.993544131874941 Energy: 2.680723650688276 Energy: 2.915682648348238 Energy: 2.6807236506895795 Energy: 2.9935441318736378 Energy: 2.6807236506895795 Energy: 2.775861742076923 Energy: 2.433752607127479 Energy: 2.9135142006490558 Energy: 2.4337526071261752 Energy: 2.775861742076923 Energy: 2.4337526071261752 Energy: 2.744834054500837 Energy: 2.5733962902146765 Energy: 2.913243679836798 Energy: 2.5733962902146765 Energy: 2.7448340545021406 Energy: 2.5733962902146765 Energy: 2.7419363810502744 Energy: 2.572815614665017 Energy: 2.9132882727212053 Energy: 2.572815614665017 Energy: 2.7419363764199463 Energy: 2.572815614666321 Energy: 2.7332841517462674 Energy: 2.433241956897756 Energy: 2.9135915577053684 Energy: 2.433241956897756 Energy: 2.7332841517462674 Energy: 2.433241956897756 Energy: 3.043109696926087 Energy: 2.572909330776074 Energy: 2.9089500359323317 Energy: 2.572909330774771 Energy: 3.0431096969273903 Energy: 2.572909330776074 Energy: 3.0435379655115353 Energy: 2.3257911933119346 Energy: 2.905782441695306 Energy: 2.3257911933119346 Energy: 3.0435379655115353 Energy: 2.3257911933119346 minimum gb energy = 2.324974883195984 eV minimum distance = 2.53912049699312 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 3.657586073356272 Energy: 2.5669592158733345 Energy: 2.8990412349384744 Energy: 2.5669592158733345 Energy: 3.657586073356272 Energy: 2.5669592158741072 Energy: 2.7806994325668444 Energy: 2.3684434656036193 Energy: 2.87681538200308 Energy: 2.3684434656043925 Energy: 2.7806433078883734 Energy: 2.368443465605166 Energy: 2.882390470922401 Energy: 2.5670512295889356 Energy: 2.871893699803 Energy: 2.5670512295889356 Energy: 2.882390470923174 Energy: 2.567051229589709 Energy: 2.884600410495726 Energy: 2.3680486137733214 Energy: 2.871081251536575 Energy: 2.3680486137733214 Energy: 2.884457201366213 Energy: 2.3680486137733214 Energy: 2.9119778638766123 Energy: 2.5673119657838903 Energy: 2.8726191394754252 Energy: 2.5673119657838903 Energy: 2.9119778638789318 Energy: 2.5673119657838903 Energy: 2.8723172982912577 Energy: 2.5672970617858746 Energy: 2.912091988775859 Energy: 2.5672970617858746 Energy: 2.872321192190752 Energy: 2.5672970617858746 Energy: 2.874461241570963 Energy: 2.3680558797239106 Energy: 2.8830174370901887 Energy: 2.368055879723137 Energy: 2.8744612415694175 Energy: 2.368055879723137 Energy: 2.8723266304148716 Energy: 2.567028832004399 Energy: 2.8824027628662257 Energy: 2.5670288320051715 Energy: 2.872326630414099 Energy: 2.567028832004399 Energy: 2.876405811744038 Energy: 2.3684670818511626 Energy: 2.86917670148956 Energy: 2.3684670818519358 Energy: 2.876405811744038 Energy: 2.3684670818511626 Energy: 2.899041234939247 Energy: 2.5669592158733345 Energy: 3.6575860733554983 Energy: 2.5669592158733345 Energy: 2.899041234939247 Energy: 2.5669592158733345 Energy: 2.876815382002307 Energy: 2.368443465605166 Energy: 2.8691769240357523 Energy: 2.368443465605166 Energy: 2.8768153820015336 Energy: 2.368443465605166 Energy: 2.871893699803773 Energy: 2.567051229589709 Energy: 2.882390470923174 Energy: 2.567051229589709 Energy: 2.8718936998014537 Energy: 2.567051229590482 Energy: 2.871081251538121 Energy: 2.3680486137733214 Energy: 2.8844933669283255 Energy: 2.368048613774095 Energy: 2.8710812515388944 Energy: 2.368048613774095 Energy: 2.872620373271681 Energy: 2.567311965784664 Energy: 2.9119778638804785 Energy: 2.5673119657838903 Energy: 2.872621555939221 Energy: 2.5673119657838903 Energy: 2.9120919887743124 Energy: 2.5672970617858746 Energy: 2.8723190055645986 Energy: 2.567297061785102 Energy: 2.912091988772766 Energy: 2.567297061785102 Energy: 2.7116624921026715 Energy: 2.3680558797223643 Energy: 2.874461241570963 Energy: 2.368055879723137 Energy: 2.711662492329102 Energy: 2.368055879723137 Energy: 2.8824027628662257 Energy: 2.5670288320051715 Energy: 2.872326630414099 Energy: 2.567028832004399 Energy: 2.882402762865453 Energy: 2.567028832004399 Energy: 2.8691767014872758 Energy: 2.3684670818527094 Energy: 2.8764058117463573 Energy: 2.3684670818519358 Energy: 2.86917670148956 Energy: 2.3684670818519358 Energy: 3.657586073356272 Energy: 2.5669592158741072 Energy: 2.867915549465217 Energy: 2.5669592158733345 Energy: 3.6575860733554983 Energy: 2.5669592158733345 Energy: 2.8691769240349796 Energy: 2.3684434656043925 Energy: 2.876815382002307 Energy: 2.3684434656043925 Energy: 2.8691769240349796 Energy: 2.3684434656043925 Energy: 2.882390470923174 Energy: 2.567051229589709 Energy: 2.871893699803773 Energy: 2.567051229589709 Energy: 2.882390470922401 Energy: 2.5670512295889356 Energy: 2.884470002071564 Energy: 2.3680486137733214 Energy: 2.871081251538121 Energy: 2.3680486137733214 Energy: 2.884456618579011 Energy: 2.368048613774095 Energy: 2.9119778638804785 Energy: 2.5673119657838903 Energy: 2.87262220325964 Energy: 2.5673119657838903 Energy: 2.9119778638766123 Energy: 2.5673119657838903 Energy: 2.8723160459582364 Energy: 2.5672970617858746 Energy: 2.9120919887719934 Energy: 2.5672970617858746 Energy: 2.8723239280438104 Energy: 2.5672970617858746 Energy: 2.8744612415701902 Energy: 2.368055879723137 Energy: 2.8992492980473727 Energy: 2.3680558797239106 Energy: 2.8744612415694175 Energy: 2.3680558797239106 Energy: 2.8723266304156447 Energy: 2.567028832004399 Energy: 2.8824027628662257 Energy: 2.567028832004399 Energy: 2.8723266304148716 Energy: 2.5670288320051715 Energy: 2.876405811744038 Energy: 2.3684670818511626 Energy: 2.869176701488014 Energy: 2.3684670818519358 Energy: 2.876405811744038 Energy: 2.3684670818511626 Energy: 2.867915549466763 Energy: 2.566959215872561 Energy: 3.657586073356272 Energy: 2.566959215872561 Energy: 2.8679155494659905 Energy: 2.5669592158733345 Energy: 2.876815382002307 Energy: 2.368443465605166 Energy: 2.869176924036526 Energy: 2.3684434656043925 Energy: 2.8768153820015336 Energy: 2.3684434656043925 Energy: 2.871893699803773 Energy: 2.567051229589709 Energy: 2.882390470922401 Energy: 2.567051229589709 Energy: 2.871893699803 Energy: 2.567051229589709 minimum gb energy = 2.3680486137733214 eV minimum distance = 2.52628333199876 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 2.811627852081785 Energy: 2.083455296278361 Energy: 2.84102937941817 Energy: 2.083455296278361 Energy: 2.811627852079891 Energy: 2.083455296278361 Energy: 2.8187194799261497 Energy: 2.0867058480460865 Energy: 2.8443586210515064 Energy: 2.086705848044193 Energy: 2.8187194799242556 Energy: 2.086705848044193 Energy: 2.8537462067789487 Energy: 2.639710601234842 Energy: 2.8410083939950352 Energy: 2.639710601232948 Energy: 2.853746206780843 Energy: 2.639710601232948 Energy: 2.810578358338804 Energy: 2.0851592974288926 Energy: 2.8450211067417963 Energy: 2.0851592974288926 Energy: 2.8105783583406985 Energy: 2.0851592974288926 Energy: 2.8422585439789882 Energy: 2.0840131864806435 Energy: 2.818428415129542 Energy: 2.08401318647875 Energy: 2.842258543977094 Energy: 2.08401318647875 Energy: 2.8428553988162135 Energy: 2.639231936177202 Energy: 2.842490902981392 Energy: 2.639231936179053 Energy: 2.842855398814319 Energy: 2.639231936177202 Energy: 2.848424087283892 Energy: 2.50628752352656 Energy: 2.84023532688088 Energy: 2.50628752352656 Energy: 2.8484240872857858 Energy: 2.50628752352656 Energy: 2.8107210156465094 Energy: 2.082987522840296 Energy: 2.8456399316613648 Energy: 2.0829875228384025 Energy: 2.8107210156465094 Energy: 2.0829875228384025 Energy: 2.842686904206474 Energy: 2.087731530039124 Energy: 2.8181739438195934 Energy: 2.087731530039124 Energy: 2.8426869042083682 Energy: 2.087731530039124 Energy: 2.8434202716360337 Energy: 2.6391288210996255 Energy: 2.843413772927077 Energy: 2.6391288210996255 Energy: 2.8434202716341397 Energy: 2.6391288211015196 Energy: 2.819060908828529 Energy: 2.08775033508143 Energy: 2.8427520666376154 Energy: 2.08775033508143 Energy: 2.8190609088304237 Energy: 2.08775033508143 Energy: 2.8456650374688364 Energy: 2.0830922033203536 Energy: 2.8107946525110408 Energy: 2.0830922033222476 Energy: 2.8456650374688364 Energy: 2.0830922033222476 minimum gb energy = 2.0829875228384025 eV minimum distance = 2.538464003492 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 2.8614830225442702 Energy: 2.720476855169476 Energy: -1.2496627168033418 Energy: 2.720476855167347 Energy: 2.8614830225442702 Energy: 2.720476855167879 Energy: 2.8829991034373834 Energy: 2.540513481100298 Energy: 2.8466685279075983 Energy: 2.5405134810987016 Energy: 2.882999103435255 Energy: 2.5405134810987016 Energy: 2.943054256756664 Energy: 2.7229272326769784 Energy: 2.847244513196615 Energy: 2.722927232675382 Energy: 2.9430542567577285 Energy: 2.722927232675382 Energy: 2.855257142935273 Energy: 2.6044903997630446 Energy: 2.843426585096087 Energy: 2.604490399761448 Energy: 2.8552571429368694 Energy: 2.604490399761448 Energy: 2.85482444395126 Energy: 2.6044874016869994 Energy: 2.8625603323858333 Energy: 2.6044874016891275 Energy: 2.8548244439496644 Energy: 2.6044874016885955 Energy: 2.844759482191955 Energy: 2.7626319372437975 Energy: 2.8422310555894295 Energy: 2.7626319372453936 Energy: 2.844759482191955 Energy: 2.7626319372453936 Energy: 2.955010512281385 Energy: 2.6027107817955812 Energy: 2.8441757909081993 Energy: 2.6027107817961137 Energy: 2.9550105122824486 Energy: 2.6027107817966453 Energy: 2.843093988279659 Energy: 2.6037974534216706 Energy: 2.8536983853870357 Energy: 2.603797453421139 Energy: 2.8430939882801916 Energy: 2.603797453421139 Energy: 2.883889148834012 Energy: 2.614365407391474 Energy: 2.8858887757145513 Energy: 2.614365407391474 Energy: 2.8838891488366727 Energy: 2.614365407392006 Energy: 2.84482551870668 Energy: 2.722005092403451 Energy: 2.862906230711152 Energy: 2.7220050924039825 Energy: 2.844825518704551 Energy: 2.7220050924039825 Energy: 2.8902517827402328 Energy: 2.487812838573337 Energy: 2.846266843557163 Energy: 2.4878128385728044 Energy: 2.8902517827397003 Energy: 2.487812838573869 Energy: 2.8483581623546943 Energy: 2.603679817749405 Energy: 2.8462672174317096 Energy: 2.603679817749937 Energy: 2.848358162357355 Energy: 2.603679817749937 Energy: 2.8452997478703326 Energy: 2.7704261731711424 Energy: 2.848944602909025 Energy: 2.7704261731711424 Energy: 2.845299747871397 Energy: 2.7704261731711424 Energy: 2.9907009599993817 Energy: 2.722130198416537 Energy: 2.8431981417073082 Energy: 2.7221301984149404 Energy: 2.990700959997253 Energy: 2.7221301984154724 Energy: 2.8511986432224026 Energy: 2.6034106691623773 Energy: 2.8468172726916996 Energy: 2.6034106691623773 Energy: 2.851198643223999 Energy: 2.6034106691629093 Energy: 2.8597909587334245 Energy: 2.4849365869997238 Energy: 2.8463933978887352 Energy: 2.4849365869997238 Energy: 2.8597909587334245 Energy: 2.484936587000256 Energy: 2.8428728978796385 Energy: 2.7215220040215002 Energy: 2.855808013841208 Energy: 2.721522004022564 Energy: 2.8428728978780424 Energy: 2.7215220040220323 Energy: 2.843309108963145 Energy: 2.6847285884532797 Energy: 2.8486923656867678 Energy: 2.684728588451683 Energy: 2.8433091089620803 Energy: 2.6847285884522147 Energy: 2.842684302673004 Energy: 2.7215931594187315 Energy: 2.8453603020726876 Energy: 2.7215931594187315 Energy: 2.8426843026740682 Energy: 2.7215931594187315 Energy: 2.846650477845395 Energy: 2.604602142222063 Energy: 2.8464849769245255 Energy: 2.6046021422194023 Energy: 2.8466504778469917 Energy: 2.6046021422188703 Energy: 2.8453297132177506 Energy: 2.721593654348636 Energy: 2.842911103406713 Energy: 2.7215936543507646 Energy: 2.8453297132177506 Energy: 2.721593654351297 Energy: 2.848250427991645 Energy: 2.6847442968400346 Energy: 2.843299370661735 Energy: 2.6847442968400346 Energy: 2.8482504279921765 Energy: 2.684744296840566 Energy: 2.8558371445757826 Energy: 2.7214364356565732 Energy: 2.843082737901727 Energy: 2.7214364356581697 Energy: 2.8558371445757826 Energy: 2.7214364356587013 Energy: 2.8434241808099108 Energy: 2.4849889207537412 Energy: 2.85978841366386 Energy: 2.4849889207526767 Energy: 2.843424180810975 Energy: 2.4849889207521447 Energy: 2.8464597242287097 Energy: 2.6034543662463707 Energy: 2.851235226856113 Energy: 2.6034543662463707 Energy: 2.8464597242292413 Energy: 2.6034543662463707 Energy: 2.8429637303387514 Energy: 2.722217130076865 Energy: 2.9907206149278376 Energy: 2.722217130076865 Energy: 2.842963730339284 Energy: 2.7222171300773974 Energy: 2.848888479160736 Energy: 2.770469872241702 Energy: 2.8452771002240347 Energy: 2.7704698722422343 Energy: 2.848888479159672 Energy: 2.770469872241702 Energy: 2.8434395150728915 Energy: 2.6036983812603136 Energy: 2.8486050507493994 Energy: 2.6036983812587655 Energy: 2.843439515073424 Energy: 2.6036983812587655 Energy: 2.846639034165764 Energy: 2.4872106570465955 Energy: 2.9449379479410807 Energy: 2.4872106570465955 Energy: 2.8466390341625716 Energy: 2.487210657047128 Energy: 2.8628828511213085 Energy: 2.7220545444633255 Energy: 2.8445879665102165 Energy: 2.7220545444633255 Energy: 2.8628828511213085 Energy: 2.722054544463858 Energy: 2.84634458226797 Energy: 2.614365407387749 Energy: 2.883713324938462 Energy: 2.614365407387749 Energy: 2.84634458226797 Energy: 2.614365407387749 Energy: 2.854142950251799 Energy: 2.603852954321937 Energy: 2.843083933693064 Energy: 2.603852954323533 Energy: 2.8541429502544595 Energy: 2.603852954323533 Energy: 2.8438737626993245 Energy: 2.6027306203446514 Energy: 2.954724606977283 Energy: 2.602730620343055 Energy: 2.8438737626977284 Energy: 2.602730620343587 Energy: 2.842194844961984 Energy: 2.744577026190396 Energy: 2.8447695617624214 Energy: 2.7445770261893316 Energy: 2.842194844961984 Energy: 2.7445770261893316 Energy: 2.841056463302729 Energy: 2.604494642707972 Energy: 2.8549536937696067 Energy: 2.60449464270744 Energy: 2.841056463302729 Energy: 2.604494642707972 Energy: 2.8434908669527883 Energy: 2.604485324320564 Energy: 2.855219190174561 Energy: 2.604485324321628 Energy: 2.8434908669517243 Energy: 2.6044853243210966 Energy: 2.8472704513377343 Energy: 2.722793047425105 Energy: 2.943212445892573 Energy: 2.72279304742617 Energy: 2.847270451336718 Energy: 2.72279304742617 Energy: 2.8465487485414247 Energy: 2.5393695539971404 Energy: 2.87921920662854 Energy: 2.5393695539966084 Energy: 2.8465487485408922 Energy: 2.5393695539971404 Energy: 2.8652813349773543 Energy: 2.720476855169476 Energy: 2.861483022542142 Energy: 2.7204768551689433 Energy: 2.8652813349784183 Energy: 2.720476855169476 Energy: 2.846668527907066 Energy: 2.3699252855213078 Energy: 2.8829991034368514 Energy: 2.3699252855207753 Energy: 2.846668527906534 Energy: 2.3699252855213078 Energy: 2.847244513195019 Energy: 2.7229272326743175 Energy: 2.9430542567582605 Energy: 2.7229272326737854 Energy: 2.847244513196615 Energy: 2.7229272326737854 Energy: 2.843426585097151 Energy: 2.6044903997619806 Energy: 2.8552571429384654 Energy: 2.604490399761448 Energy: 2.8434265850966196 Energy: 2.604490399761448 Energy: 2.86256033238743 Energy: 2.6044874016891275 Energy: 2.854824443950196 Energy: 2.6044874016869994 Energy: 2.8625603323884943 Energy: 2.6044874016869994 minimum gb energy = -1.2496627168033418 eV minimum distance = 2.50127131837145 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 2.5751867746053616 Energy: 2.7784428721942707 Energy: 2.6061351986821797 Energy: 2.7784428721942707 Energy: 2.5751867746017276 Energy: 2.7784428721942707 Energy: 2.607975612767441 Energy: 2.2774250708431723 Energy: 2.585124137966803 Energy: 2.2774250708431723 Energy: 2.607975612767441 Energy: 2.2774250708443837 Energy: 2.579460179756083 Energy: 2.543863676560716 Energy: 2.6114722325787687 Energy: 2.543863676560716 Energy: 2.579460179756083 Energy: 2.543863676560716 Energy: 2.6471095553849158 Energy: 2.527117369055171 Energy: 2.585948272273742 Energy: 2.527117369055171 Energy: 2.6471095553849158 Energy: 2.527117369056383 Energy: 2.651512288572604 Energy: 2.778518219558078 Energy: 2.5373561346665476 Energy: 2.7785182195568665 Energy: 2.6515122885738154 Energy: 2.7785182195568665 Energy: 2.6475364739572895 Energy: 2.5451793551504007 Energy: 2.578431321159957 Energy: 2.5451793551504007 Energy: 2.6475364739572895 Energy: 2.5451793551504007 Energy: 2.6478711236685357 Energy: 2.5452472979717142 Energy: 2.5784899163416366 Energy: 2.5452472979728706 Energy: 2.6478711236685357 Energy: 2.5452472979728706 Energy: 2.651236165788302 Energy: 2.778497983597731 Energy: 2.5860623061794614 Energy: 2.77849798359652 Energy: 2.6512361657870906 Energy: 2.77849798359652 Energy: 2.6467920434107386 Energy: 2.527144432334577 Energy: 2.584493311408391 Energy: 2.527144432334577 Energy: 2.646792043413162 Energy: 2.527144432334577 Energy: 2.5794900613712133 Energy: 2.5439571702458244 Energy: 2.61147714886184 Energy: 2.5439571702458244 Energy: 2.5794900613724248 Energy: 2.543957170247036 Energy: 2.608054249729826 Energy: 2.2774250708455956 Energy: 2.5870332900610213 Energy: 2.2774250708443837 Energy: 2.6080542497286148 Energy: 2.2774250708443837 Energy: 2.5751867746102066 Energy: 2.7784428721942707 Energy: 2.606135198683391 Energy: 2.7784428721942707 Energy: 2.5751867746053616 Energy: 2.7784428721942707 Energy: 2.607975612767441 Energy: 2.2774250708431723 Energy: 2.537061302011957 Energy: 2.2774250708431723 Energy: 2.607975612768597 Energy: 2.2774250708431723 Energy: 2.579460179756083 Energy: 2.543863676560716 Energy: 2.6114722325787687 Energy: 2.543863676560716 Energy: 2.579460179756083 Energy: 2.543863676560716 Energy: 2.6471095553861264 Energy: 2.527117369055171 Energy: 2.585948272273742 Energy: 2.527117369056383 Energy: 2.6471095553861264 Energy: 2.527117369055171 Energy: 2.6515122885738154 Energy: 2.7785182195568665 Energy: 2.5373561346665476 Energy: 2.778518219558078 Energy: 2.6515122885738154 Energy: 2.7785182195592895 Energy: 2.6475364739560785 Energy: 2.5451793551504007 Energy: 2.5784313211611685 Energy: 2.5451793551504007 Energy: 2.6475364739572895 Energy: 2.5451793551504007 Energy: 2.6478711236685357 Energy: 2.5452472979728706 Energy: 2.5784899163416366 Energy: 2.5452472979728706 Energy: 2.6478711236685357 Energy: 2.5452472979717142 Energy: 2.6512361657870906 Energy: 2.77849798359652 Energy: 2.5860623061794614 Energy: 2.77849798359652 Energy: 2.651236165788302 Energy: 2.77849798359652 minimum gb energy = 2.2774250708431723 eV minimum distance = 2.48756383426923 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 2.2621170153746095 Energy: 2.5972891549322163 Energy: 2.2398208749416035 Energy: 2.5972891549304418 Energy: 2.2621170153746095 Energy: 2.5972891549313295 Energy: 2.2328900590192995 Energy: 2.2357250033478335 Energy: 2.2296886453383293 Energy: 2.2357250033478335 Energy: 2.2328900590184118 Energy: 2.2357250033478335 Energy: 2.309745697676455 Energy: 2.3129677209232193 Energy: 2.2438145921561246 Energy: 2.3129677209205575 Energy: 2.309745697677343 Energy: 2.312967720922332 Energy: 2.2609635507189747 Energy: 2.339073499811118 Energy: 2.229969678901659 Energy: 2.339073499811118 Energy: 2.260963550719862 Energy: 2.3390734998102305 Energy: 2.2297021813492703 Energy: 2.597797096545462 Energy: -1.768326724407053 Energy: 2.597797096545462 Energy: 2.2297021813492703 Energy: 2.597797096546349 Energy: 2.288088415742534 Energy: 2.4819718576256684 Energy: 2.2283805344853467 Energy: 2.481971857624781 Energy: 2.2880884157416466 Energy: 2.4819718576238943 Energy: 2.2954931494809494 Energy: 2.2368876896914807 Energy: 2.227303157631749 Energy: 2.2368876896914807 Energy: 2.2954931494818367 Energy: 2.2368876896905934 Energy: 2.300844125752662 Energy: 2.5981832382029664 Energy: 2.1890015605111888 Energy: 2.5981832382029664 Energy: 2.300844125752662 Energy: 2.598183238202079 Energy: 2.302044807305049 Energy: 2.611050602032885 Energy: -1.0059965096841261 Energy: 2.611050602031998 Energy: 2.302044807305049 Energy: 2.6110506020311917 Energy: 2.2623539544979465 Energy: 2.233522385115596 Energy: 2.2289576459296594 Energy: 2.233522385115596 Energy: 2.2623539544961724 Energy: 2.233522385118258 Energy: 2.295644699745793 Energy: 2.4752104764466822 Energy: 2.22584311662789 Energy: 2.475210476444907 Energy: 2.2956446997466804 Energy: 2.4752104764457945 Energy: 2.2281902661887583 Energy: 2.5982669367680873 Energy: 2.2326741491693807 Energy: 2.5982669367654254 Energy: 2.2281902661887583 Energy: 2.5982669367663127 Energy: 2.2866332474553257 Energy: 2.3388456944185445 Energy: -1.7853674505205346 Energy: 2.3388456944185445 Energy: 2.2866332474544384 Energy: 2.338845694417657 Energy: 2.2347132684580884 Energy: 2.233457587037406 Energy: 2.243808725031285 Energy: 2.233457587034744 Energy: 2.2347132684563142 Energy: 2.233457587037406 Energy: 2.230324560962469 Energy: 2.235283888314103 Energy: 2.2268388337307754 Energy: 2.2352838883158777 Energy: 2.230324560963356 Energy: 2.235283888314991 Energy: 2.188783347111444 Energy: 2.597342925949391 Energy: 2.2462059127650984 Energy: 2.597342925948504 Energy: 2.1887833471105567 Energy: 2.597342925948504 Energy: 2.2636436546275434 Energy: 2.236232360558383 Energy: 2.246579501074574 Energy: 2.23623236055927 Energy: 2.2636436546444028 Energy: 2.236232360558383 Energy: 2.2339004921242265 Energy: 2.2321041034484734 Energy: 2.2453991084832237 Energy: 2.232104103447586 Energy: 2.2339004921233387 Energy: 2.2321041034493607 Energy: 2.2559466257685314 Energy: 2.3417596679865427 Energy: 2.2273664276934033 Energy: 2.3417596679856554 Energy: 2.2559466257694183 Energy: 2.3417596679856554 Energy: 2.2282947855094464 Energy: 2.596228813773256 Energy: 2.2429384668014545 Energy: 2.5962288137741436 Energy: 2.228294785508559 Energy: 2.5962288137741436 Energy: 2.2608516804977756 Energy: 2.4844592030761183 Energy: 2.2326679030135503 Energy: 2.4844592030761183 Energy: 2.260851680496888 Energy: 2.484459203077005 Energy: 2.25870718290939 Energy: 2.232667559497246 Energy: 2.2262087740545584 Energy: 2.232667559497246 Energy: 2.258707182911165 Energy: 2.2326675595007957 Energy: 2.2965738843188515 Energy: 2.599218539254355 Energy: 2.190743090923015 Energy: 2.599218539254355 Energy: 2.2965738843206265 Energy: 2.5992185392552427 Energy: 2.228458184622033 Energy: 2.4527320067994953 Energy: 2.226263098409422 Energy: 2.4527320067977203 Energy: 2.228458184622921 Energy: 2.4527320067994953 Energy: 2.2441116942198365 Energy: 2.232672227643028 Energy: 2.2328039243614803 Energy: 2.232672227641253 Energy: 2.2441116942162873 Energy: 2.2326722276421402 Energy: 2.256849467188257 Energy: 2.4991703007687143 Energy: 2.225447021442638 Energy: 2.4991703007687143 Energy: 2.256849467188257 Energy: 2.4991703007687143 minimum gb energy = -1.7853674505205346 eV minimum distance = 2.52755994178943 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 2.801982153099162 Energy: 2.4445071609239686 Energy: 1.922782303501411 Energy: 2.4445071609232696 Energy: 2.8019821531005604 Energy: 2.44450716092257 Energy: 1.9341457290869608 Energy: 1.9828866598155046 Energy: 1.9413810216971779 Energy: 1.982886659816204 Energy: 1.934145732021523 Energy: 1.9828866598155046 Energy: 1.9242810434197433 Energy: 2.3432909603703793 Energy: 1.92550407468908 Energy: 2.3432909603703793 Energy: 1.9242810434204425 Energy: 2.3432909603703793 Energy: 1.9469875288484864 Energy: 1.9232405089687832 Energy: 1.9410421804673463 Energy: 1.923240508968084 Energy: 1.9469875288484864 Energy: 1.9232405089673845 Energy: 1.9859128058882622 Energy: 1.9843784442264747 Energy: -0.44970018799111783 Energy: 1.9843784442264747 Energy: 1.9859128058868636 Energy: 1.9843784442257755 Energy: 1.923924904261268 Energy: 2.2496462481145607 Energy: 1.94104508042381 Energy: 2.2496462481138613 Energy: 1.9239249042605688 Energy: 2.2496462481145607 Energy: 1.9446506012268447 Energy: 2.3438132354879397 Energy: 1.9445853650206018 Energy: 2.3438132354872407 Energy: 1.9446506012268447 Energy: 2.3438132354872407 Energy: 1.9289351770045706 Energy: 1.9335491328937273 Energy: 1.8809318456836457 Energy: 1.9335491328909302 Energy: 1.928935177003172 Energy: 1.9335491328951262 Energy: 2.0286152760040066 Energy: 1.932272392196033 Energy: -0.47202721327737984 Energy: 1.9322723921946343 Energy: 2.0286152760040066 Energy: 1.9322723921953335 Energy: 2.0391255606862746 Energy: 2.3418922599698764 Energy: 1.8810765252554862 Energy: 2.3418922599698764 Energy: 2.0391255606862746 Energy: 2.3418922599698764 Energy: 2.040698813975278 Energy: 2.3389936705281555 Energy: 1.8761385340252859 Energy: 2.3389936705281555 Energy: 2.0406988139759776 Energy: 2.3389936705281555 Energy: 1.9222516003850512 Energy: 2.207113267928024 Energy: 1.880789446295566 Energy: -1.578661196580103 Energy: 1.9222516003857504 Energy: 2.2071132679252266 Energy: 2.035360636751668 Energy: 2.256162863108715 Energy: -0.47286717126130623 Energy: 2.2561628631094144 Energy: 2.0353606367509682 Energy: 2.2561628631094144 Energy: 1.9425967489096043 Energy: 2.3502845768432143 Energy: 1.943018510448185 Energy: 2.3502845768453122 Energy: 1.9425967489096043 Energy: 2.3502845768446132 Energy: 1.9230527628692813 Energy: 1.9210867722634248 Energy: 1.9404437207526635 Energy: 1.9210867722634248 Energy: 1.9230527628678826 Energy: 1.9210867722634248 Energy: 1.9409194551046813 Energy: 1.9353679599492468 Energy: 1.9409038729319157 Energy: -1.5733392997214684 Energy: 1.9409194551032822 Energy: 1.9353679599478484 Energy: 1.946359787203099 Energy: 1.9326057095702114 Energy: -0.4652471324499523 Energy: 1.9326057095709108 Energy: 1.9463597872017004 Energy: 1.9326057095744074 Energy: 1.8778814398141177 Energy: 2.349945359818901 Energy: 1.9264792199207907 Energy: 2.3499453598196 Energy: 1.8778814398141177 Energy: 2.349945359818901 Energy: 1.9443172989611057 Energy: 1.9952280219570404 Energy: 1.9407446744010792 Energy: 1.9952280219570404 Energy: 1.9443172989611057 Energy: 1.9952280219570404 Energy: 1.8779951164210424 Energy: 1.9343084404775188 Energy: 1.9353133855951228 Energy: 1.9343084404740223 Energy: 1.8779951163972648 Energy: 1.9343084404747215 Energy: 1.90889357691562 Energy: 1.9363330564689214 Energy: 1.9212548519116155 Energy: 1.9363330564703198 Energy: 1.9088935769184172 Energy: 1.9363330564710193 Energy: 1.8781140849701785 Energy: 2.349920015327744 Energy: 1.9252513216062879 Energy: 2.3499200153270445 Energy: 1.8781140849694793 Energy: 2.3499200153270445 Energy: 2.038794070032109 Energy: 1.9225032294188908 Energy: 1.9409500735588479 Energy: 1.9225032294188908 Energy: 2.038794070030711 Energy: 1.9225032294174922 Energy: 1.940974324864987 Energy: 2.2053233310822087 Energy: 1.9205663848966563 Energy: 2.261059788939696 Energy: 1.940974324864288 Energy: 2.2053233310836076 Energy: 1.9217253365537437 Energy: 2.262115356571909 Energy: 1.9392894440256667 Energy: 2.262115356571909 Energy: 1.9217253365530444 Energy: 2.262115356571209 Energy: 1.9423797970376886 Energy: 1.9212798023305622 Energy: 1.9400890959467207 Energy: 1.9212798023312614 Energy: 1.9423797970376886 Energy: 1.9212798023312614 Energy: 1.9273044372050028 Energy: 2.3529812995040205 Energy: 1.8814052747808943 Energy: 2.352981299503321 Energy: 1.9273044372063695 Energy: 2.352981299503321 Energy: 1.9218420838669203 Energy: 2.256577894014878 Energy: 1.9440865812786732 Energy: 2.1915278653208823 Energy: 1.921842083868319 Energy: 2.2565778940155776 Energy: 2.038236307178922 Energy: 2.352908225914125 Energy: 1.8810753777516878 Energy: 2.352908225914125 Energy: 2.0382363071796212 Energy: 2.352908225914125 Energy: 1.9423756731697859 Energy: 1.9217383599537372 Energy: 1.8833361186579125 Energy: 1.9217383599544364 Energy: 1.9423756731690862 Energy: 1.921738359955136 Energy: 1.921277132783337 Energy: 2.353078812104339 Energy: 1.8815600483520705 Energy: 2.3530788121050383 Energy: 1.921277132783337 Energy: 2.3530788121050383 Energy: 1.9218771822376841 Energy: 2.252980416657265 Energy: 1.9435441877075972 Energy: 2.2529804166579646 Energy: 1.9218771822369844 Energy: 2.2529804166579646 Energy: 1.9421733945632538 Energy: 2.3529244421891815 Energy: 1.938706416768013 Energy: 2.3529244421891815 Energy: 1.942173394563953 Energy: 2.3529244421891815 minimum gb energy = -1.578661196580103 eV minimum distance = 2.52480586973726 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 2.1504517604032785 Energy: 1.9360011519911227 Energy: 1.4739534533021397 Energy: 1.936001151990141 Energy: 2.1504517604032785 Energy: 1.9360011519911227 Energy: 1.5647925872502062 Energy: 1.4615118741208917 Energy: 1.526357379143287 Energy: 1.4615118741267814 Energy: 1.5647925873772814 Energy: 1.4615118741267814 Energy: 2.153032841030199 Energy: 1.9347973408045263 Energy: 1.4903640751995495 Energy: 1.9347973408050172 Energy: 2.1530328410287263 Energy: 1.934797340805508 Energy: 1.5494372538637968 Energy: 1.4900662196720513 Energy: 1.5260381827589076 Energy: 1.4900662196720513 Energy: 1.5494372537656795 Energy: 1.4900662196720513 Energy: 1.562790376932579 Energy: 1.8864282662248713 Energy: 1.5121725509554336 Energy: 1.886428266225362 Energy: 1.5627903769296343 Energy: 1.8864282662248713 Energy: 1.5290989270645032 Energy: 1.4912346851421219 Energy: 1.5254341734165406 Energy: 1.4912346851440852 Energy: 1.5290989270694113 Energy: 1.491234685158319 Energy: 1.584290171033109 Energy: 1.895959108964219 Energy: 1.5230340605280641 Energy: 1.8959591089652004 Energy: 1.5842901710345814 Energy: 1.8959591089647094 Energy: 1.5122790878852101 Energy: 1.5249182649760207 Energy: 1.5726386962999839 Energy: 1.5249182649755297 Energy: 1.512279087883247 Energy: 1.5249182649716033 Energy: 1.5718341063248649 Energy: 1.8862639994034518 Energy: 1.6134836737005043 Energy: 1.8862639994024701 Energy: 1.5718341063238832 Energy: 1.8862639994019794 Energy: 1.485788755601202 Energy: 1.8970350929505846 Energy: 2.1230009629122875 Energy: 1.8970350929496032 Energy: 1.4857887556016927 Energy: 1.8970350929491122 Energy: 1.6042835621776725 Energy: 1.8958355740397927 Energy: 1.5634700871377292 Energy: 1.895835574038811 Energy: 1.6042835621776725 Energy: 1.8958355740393018 Energy: 1.6726141284191156 Energy: 1.9404367038092796 Energy: 2.124935288507314 Energy: 1.940436703810752 Energy: 1.6726141284196063 Energy: 1.940436703810752 Energy: 1.617468744395524 Energy: 1.8855904703518411 Energy: 1.5582432461251639 Energy: 1.8855904703513502 Energy: 1.6174687443969962 Energy: 1.8855904703513502 Energy: 1.5798357657479303 Energy: 1.9432576001982145 Energy: 1.5332921597524276 Energy: 1.9432576001972328 Energy: 1.5798357657449855 Energy: 1.9432576001972328 Energy: 1.5744488984094047 Energy: 1.89138511450317 Energy: 1.5398964697545725 Energy: 1.8913851145036606 Energy: 1.5744488984094047 Energy: 1.8913851145036606 Energy: 1.6222045243824288 Energy: 1.9406291915002463 Energy: 2.1258684323822172 Energy: 1.940629191500737 Energy: 1.6222045243829195 Energy: 1.9406291915017186 Energy: 1.6174827346944027 Energy: 1.8852019780936795 Energy: 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1.5835523611672155 Energy: 1.8555774039252286 Energy: 1.600431922153909 Energy: 1.9453261985044439 Energy: 1.4489680609191553 Energy: 1.9453261985049344 Energy: 1.6004319221460561 Energy: 1.9453261985054255 Energy: 1.526875213828588 Energy: 1.4855904949206427 Energy: 1.5247185092691236 Energy: 1.4855904949211336 Energy: 1.5268752138271158 Energy: 1.485590494921624 Energy: 1.5581711007924244 Energy: 1.8972657695427009 Energy: 1.4845362890419664 Energy: 1.8972657695427009 Energy: 1.5581711007914427 Energy: 1.8972657695427009 Energy: 1.6181489471360306 Energy: 1.8668123512805155 Energy: 1.5710301181269604 Energy: 1.8668123512814974 Energy: 1.6181489471335766 Energy: 1.8668123512810066 Energy: 1.576225985083319 Energy: 1.8997690523193658 Energy: 1.487889139650746 Energy: 1.8997690523188753 Energy: 1.576225985082828 Energy: 1.8997690523188753 Energy: 1.4878124510133786 Energy: 1.8997255810715072 Energy: 1.5762211578921146 Energy: 1.8997255810715072 Energy: 1.4878124509344028 Energy: 1.8997255810719977 Energy: 1.5712480893039087 Energy: 1.8670920463445786 Energy: 1.619794478953253 Energy: 1.8670920463445786 Energy: 1.5712480893043996 Energy: 1.867092046344088 Energy: 1.4845299645294427 Energy: 1.8978695788864535 Energy: 1.5587892872142852 Energy: 1.8978695788844901 Energy: 1.4845299645299332 Energy: 1.8978695788839994 Energy: 1.5243290232125797 Energy: 1.4856225727790497 Energy: 1.5271723009302476 Energy: 1.4856225727790497 Energy: 1.5243290232145428 Energy: 1.4856225727795402 Energy: 1.4489680609196463 Energy: 1.9453459906357995 Energy: 1.6001453861277932 Energy: 1.9453459906357995 Energy: 1.4489680609181737 Energy: 1.9453459906357995 Energy: 1.621885058241173 Energy: 1.8555233713264108 Energy: 1.5762523709547587 Energy: 1.8555233713259196 Energy: 1.6218850582421545 Energy: 1.855523371325429 Energy: 1.8245876047571672 Energy: 1.9415379550380114 Energy: 2.1198999979391973 Energy: 1.9415379550394838 Energy: 1.824587604756676 Energy: 1.941537955038502 Energy: 1.524516942240561 Energy: 1.4891155061407488 Energy: 1.557912068261331 Energy: 1.4891155061412396 Energy: 1.524516942275364 Energy: 1.4891155061412396 Energy: 1.492996858956784 Energy: 1.944639721986512 Energy: 1.6005338706782772 Energy: 1.9446397219870029 Energy: 1.4929968589577656 Energy: 1.9446397219870029 Energy: 1.6229964034276412 Energy: 1.8558965364370037 Energy: 1.5709726272580853 Energy: 1.8558965364379854 Energy: 1.6229964034296043 Energy: 1.8558965364374944 Energy: 1.5247500911194716 Energy: 1.9411593783544587 Energy: 1.5590277744051624 Energy: 1.9411593783529864 Energy: 1.5247500911199623 Energy: 1.9411593783524956 Energy: 1.5986423931884086 Energy: 1.8253329616148368 Energy: 1.5281998361429987 Energy: 1.8253329616148368 Energy: 1.5986423931884086 Energy: 1.825332961614346 Energy: 1.5248993761764045 Energy: 1.9440487228346204 Energy: 1.5762426682862587 Energy: 1.9440487228336387 Energy: 1.5248993761768954 Energy: 1.9440487228346204 minimum gb energy = 1.4489680609181737 eV minimum distance = 2.55282188530876 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.34704755603394777 Energy: 0.34609675249411465 Energy: -0.42289151368070277 Energy: 0.34609675249377914 Energy: 0.3470475560346187 Energy: 0.34609675249377914 Energy: 0.343343959125031 Energy: -1.5571570293657835 Energy: 0.20565012698310953 Energy: -1.5571570293657835 Energy: 0.3433439591247328 Energy: -1.5571570293657835 Energy: 0.347047556034917 Energy: 0.34609675249377914 Energy: -0.42165996373225806 Energy: 0.34609675249377914 Energy: 0.3470475560342832 Energy: 0.34609675249411465 Energy: 0.34334395912570204 Energy: -1.557157029366119 Energy: 0.20988471119293672 Energy: -1.557157029364479 Energy: 0.3433439591253665 Energy: -1.5571570293651498 Energy: 0.3470475560346187 Energy: 0.34609675249411465 Energy: 1.109221653645783 Energy: 0.34609675249377914 Energy: 0.3470475560342832 Energy: 0.34609675249411465 Energy: 0.3433439591247328 Energy: -1.5571570293651498 Energy: 0.23897103064491443 Energy: -1.5571570293648143 Energy: 0.3433439591253665 Energy: -1.5571570293651498 Energy: 0.3470475560346187 Energy: 0.34609675249445015 Energy: -1.1526413948922902 Energy: 0.34609675249411465 Energy: 0.3470475560342832 Energy: 0.34609675249411465 minimum gb energy = -1.557157029366119 eV minimum distance = 2.68284910448073 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 1.8462232587229293 Energy: 1.940221183587529 Energy: -2.8778748815464814 Energy: 1.9402211835839982 Energy: 1.8462232587867216 Energy: 1.9402211835839982 Energy: 1.4995673459464702 Energy: 1.4174055459908521 Energy: 1.3767921858239653 Energy: 1.4174055459854955 Energy: 1.4997268934434569 Energy: 1.4174055459854955 Energy: 1.5503405487686526 Energy: 1.8854058620311527 Energy: 1.8059154213096817 Energy: 1.8854058620324916 Energy: 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======================================== theta = 80.63108442154517 ======================================== Energy: -1.9481442904104327 Energy: 2.3330935603219634 Energy: -0.8945139143868799 Energy: 2.3330935603207377 Energy: -1.8007782204476692 Energy: 2.3330935603207377 Energy: 1.8060943896102508 Energy: -1.723959024153099 Energy: 1.5819393828327377 Energy: -1.7239590150426876 Energy: 1.8060955672875743 Energy: -1.7239594461368486 Energy: -0.9854056972068943 Energy: 2.2437066090681244 Energy: -0.5159302802445215 Energy: 2.2437066090699624 Energy: -1.000871409704611 Energy: 2.2437066090699624 Energy: -0.15627708656231293 Energy: 0.27810749189514805 Energy: 0.5394387274560909 Energy: 0.278107475905227 Energy: -0.15627686264298754 Energy: 0.2781074915644811 Energy: 1.7992333421106768 Energy: 2.2187890149539657 Energy: 1.6190757346686913 Energy: 2.218789014955191 Energy: 1.7992333421106768 Energy: 2.218789014955191 Energy: -1.4180536110923476 Energy: 2.1848753608442872 Energy: 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-1.943589364824802 Energy: 2.2429390360815304 Energy: -1.943755739847348 Energy: 2.293950454151299 Energy: 0.5546084277628802 Energy: 2.2939504541494613 Energy: -1.9437227504041723 Energy: 2.2939504541494613 Energy: -0.14294160197311392 Energy: 2.1807936224217777 Energy: -1.0644903221834985 Energy: 2.1807936224199396 Energy: -0.14294160350653518 Energy: 2.180793622420552 Energy: -0.14625307412035254 Energy: 2.2083267793885537 Energy: 0.4153442920456052 Energy: 2.2083267793910037 Energy: -0.14677352028471283 Energy: 2.2083267793903913 Energy: -1.1960605789154335 Energy: 2.181796965505849 Energy: -1.3648457894796047 Energy: 2.181796965504011 Energy: -1.196439431557236 Energy: 2.181796965504011 Energy: -1.4881048344862795 Energy: 2.293077205098899 Energy: 1.7822772679657277 Energy: 2.2930772050982866 Energy: -1.4881059014899325 Energy: 2.293077205098899 Energy: -0.9770704868552957 Energy: -1.4685120538824936 Energy: -0.14245386988691128 Energy: -1.468558042761359 Energy: 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1.6590381367388183 Energy: 2.50280328847024 Energy: 1.7796860332148623 Energy: 2.50280328847024 Energy: 1.9187278007392952 Energy: 1.7144581078959689 Energy: 1.6557585818960059 Energy: 1.7144581078952164 Energy: 1.9187278007385424 Energy: 1.7144581078937111 Energy: 1.6984234199753927 Energy: 1.7057760769125445 Energy: 1.7024981397999326 Energy: 1.7057760769132972 Energy: 1.6984234199753927 Energy: 1.7057760769140495 Energy: 1.7839965865223149 Energy: 2.452114673548504 Energy: 1.7246456570596382 Energy: 2.4521146735477517 Energy: 1.7839965865223149 Energy: 2.4521146735492563 minimum gb energy = -0.4460516177949254 eV minimum distance = 2.55962584732804 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 1.968730051095437 Energy: 1.905821845275642 Energy: 1.9692376088707797 Energy: 1.905821845277591 Energy: 1.968730051095437 Energy: 1.9058218452766165 Energy: 1.9018722442650027 Energy: 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2.891951056896128 Energy: 1.9061647361347713 Energy: 2.891951056897102 Energy: 1.9028318538095383 Energy: 1.9150999916338982 Energy: 1.9672810545497241 Energy: 1.9150999916407188 Energy: 1.9028318538095383 Energy: 1.9150999916348723 Energy: 1.9051684281092227 Energy: 1.969765800948886 Energy: 1.9009769099845912 Energy: 1.9697658009654502 Energy: 1.9051684281101973 Energy: 1.969765800941091 Energy: 1.900954869015585 Energy: 1.9067298304485192 Energy: 1.9658144120856647 Energy: 1.9067298304485192 Energy: 1.9009548690165594 Energy: 1.9067298304504678 Energy: 1.9659662399415958 Energy: 2.0508616185784128 Energy: 1.9661143039539108 Energy: 2.050861618576464 Energy: 1.9659662399415958 Energy: 2.0508616185754898 Energy: 1.9658081018967506 Energy: 1.9063195955035286 Energy: 1.899573691984516 Energy: 1.9063195955103496 Energy: 1.9658081018977251 Energy: 1.9063195955113237 Energy: 1.9033160395557795 Energy: 1.9699372785911136 Energy: 1.9043601193861854 Energy: 1.9699372785998825 Energy: 1.9033160395567537 Energy: 1.9699372785969598 Energy: 1.9672999791384984 Energy: 1.9148897687568733 Energy: 1.903133418172727 Energy: 1.9148897687558988 Energy: 1.967299979140447 Energy: 1.9148897687568733 Energy: 1.9653919838804295 Energy: 1.9697303246585165 Energy: 1.906577943208413 Energy: 1.9697303246594908 Energy: 1.9653919838814036 Energy: 1.9697303246585165 Energy: 2.176788046061373 Energy: 1.9697397460044808 Energy: 1.9009488345331869 Energy: 1.9697397460122759 Energy: 2.176788046061373 Energy: 1.9697397460074035 Energy: 1.9017404404084588 Energy: 1.9084098299520924 Energy: 1.904671967866163 Energy: 1.908409829953067 Energy: 1.9017404404084588 Energy: 1.908409829954041 minimum gb energy = 1.8966881742720367 eV minimum distance = 2.56732297259226 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 2.2664801403350916 Energy: 2.278058251856976 Energy: 2.2355328452114427 Energy: 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2.236967225386656 Energy: 2.228774567794305 Energy: 2.232511132020108 Energy: 2.228774567794305 Energy: 2.236967225386656 Energy: 2.228774567794305 Energy: 2.2323401461314525 Energy: 2.2343709555222753 Energy: 2.2714411262164327 Energy: 2.2343709555236537 Energy: 2.2323401461328305 Energy: 2.2343709555208977 Energy: 2.2346738295944615 Energy: 2.2334770546406784 Energy: 2.2748567328392393 Energy: 2.2334770546351663 Energy: 2.2346738295944615 Energy: 2.2334770546406784 Energy: 2.234692587128093 Energy: 2.2297292276858762 Energy: 2.233788256225519 Energy: 2.2297292276872547 Energy: 2.234692587128093 Energy: 2.2297292276872547 minimum gb energy = 2.2007256954918617 eV minimum distance = 2.5452025154103 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 3.409917102991941 Energy: 2.0929917426015066 Energy: -0.842868077276675 Energy: 2.092991742598314 Energy: 3.4099171029924724 Energy: 2.092991742599911 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Energy: 3.409917102993005 Energy: 2.0929917426015066 Energy: 2.078004196672161 Energy: 2.0929917426015066 Energy: 2.0479643177844356 Energy: 2.052867680509243 Energy: 2.7598886830712273 Energy: 2.052867680508179 Energy: 2.047964317783904 Energy: 2.052867680508711 Energy: 2.6875698558838654 Energy: 2.416453447950296 Energy: 2.092495249756488 Energy: 2.4164534479513606 Energy: 2.6875698558838654 Energy: 2.4164534479513606 Energy: 2.4453722380548917 Energy: 2.0492161693735285 Energy: 2.0563358999804904 Energy: 2.0492161693719315 Energy: 2.4453722380548917 Energy: 2.0492161693729956 Energy: 2.905778191121163 Energy: 2.1104704036992428 Energy: 2.0480887056883894 Energy: 2.110470403699775 Energy: 2.9057781911221796 Energy: 2.1104704036992428 minimum gb energy = -0.842868077276675 eV minimum distance = 2.56482060103524 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6561513476057093 Energy: 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-1.456809163300036 Energy: -0.030156454347071586 Energy: -1.723174473058748 Energy: -0.030157217810888665 Energy: -1.4568091633380797 Energy: -0.030159380871688415 Energy: -0.810603371619427 Energy: -1.6088292260633683 Energy: -1.7080221471815007 Energy: -1.6088292260694335 Energy: -0.810603371646286 Energy: -1.6088292260728991 Energy: -0.8194381189911826 Energy: -0.2556822466067177 Energy: 0.1739646226261904 Energy: -0.25568227719533093 Energy: -0.8194381189885833 Energy: -0.2556823581614873 minimum gb energy = -1.745016413753669 eV minimum distance = 2.59386333166616 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 2.8101564340930674 Energy: 2.3353687250503268 Energy: 2.580051431243781 Energy: 2.335368725050958 Energy: 2.8101564340930674 Energy: 2.335368725050958 Energy: 2.2859021552646395 Energy: 2.2387639118199187 Energy: 2.2445181397788456 Energy: 2.2387639118199187 Energy: 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Energy: 2.655921038957418 Energy: 2.2441339484289182 Energy: 2.580275226380984 Energy: 2.2441339484295493 Energy: 2.6559210389561554 Energy: 2.2441339484282867 Energy: 2.7146821301504294 Energy: 2.571994207663486 Energy: 2.2464266412555647 Energy: 2.5719942076628546 Energy: 2.7146821301504294 Energy: 2.5719942076628546 Energy: 2.2464352936691836 Energy: 2.396810230497419 Energy: 2.4946468405827376 Energy: 2.396810230497419 Energy: 2.2464352936691836 Energy: 2.3968102304967878 Energy: 2.242533852338348 Energy: 2.3347502651738377 Energy: 2.811406131065426 Energy: 2.334750265173206 Energy: 2.242533852338348 Energy: 2.3347502651738377 Energy: 2.246625430513857 Energy: 2.239482464728867 Energy: 2.5793231152232514 Energy: 2.2394824647282356 Energy: 2.246625430514488 Energy: 2.2394824647282356 Energy: 2.664251534553135 Energy: 2.2437919440533474 Energy: 2.24775437185465 Energy: 2.24379194405461 Energy: 2.6642515345525033 Energy: 2.243791944052716 Energy: 2.6593091789797714 Energy: 2.2443383686627323 Energy: 2.2413610762238636 Energy: 2.2443383686627323 Energy: 2.6593091789797714 Energy: 2.2443383686627323 Energy: 2.572146714438778 Energy: 2.5767930704663504 Energy: 2.2478846000425006 Energy: 2.5767930704663504 Energy: 2.572146714440041 Energy: 2.576793070465719 Energy: 2.3401077906646544 Energy: 2.3348312079172553 Energy: 2.571023189529907 Energy: 2.3348312079286186 Energy: 2.340107790665286 Energy: 2.334831207931775 Energy: 2.2411640790389438 Energy: 2.570613504966121 Energy: 2.341413484273757 Energy: 2.5706135049654897 Energy: 2.2411640790402063 Energy: 2.5706135049654897 Energy: 2.2430103147414213 Energy: 2.2404846760294395 Energy: 2.661590814916263 Energy: 2.2404846760300705 Energy: 2.24301031474079 Energy: 2.2404846760300705 Energy: 2.24628264675575 Energy: 2.9716142848758507 Energy: 2.6599756020279908 Energy: 2.9716142848752196 Energy: 2.246282646757644 Energy: 2.9716142848752196 Energy: 2.2509514933676593 Energy: 2.569748415597938 Energy: 2.241473841237821 Energy: 2.5697484155992005 Energy: 2.2509514933676593 Energy: 2.5697484155985695 Energy: 2.6689015887439935 Energy: 2.2789620219971303 Energy: 2.249724567003206 Energy: 2.2789620219971303 Energy: 2.668901588742731 Energy: 2.2789620219983933 Energy: 2.666417636125094 Energy: 2.879639036985628 Energy: 2.239946749190978 Energy: 2.879639036985628 Energy: 2.6664176361232004 Energy: 2.879639036985628 Energy: 2.2464972959429352 Energy: 2.584139779788315 Energy: 2.245794806201775 Energy: 2.5841397797889463 Energy: 2.246497295942304 Energy: 2.584139779788315 Energy: 2.2522070616771788 Energy: 2.971402119193707 Energy: 2.6643812972569885 Energy: 2.9714021191930757 Energy: 2.2522070616784413 Energy: 2.9714021191930757 Energy: 2.2404776542519276 Energy: 3.3863038111590127 Energy: 2.6624244181612484 Energy: 3.3863038111596437 Energy: 2.2404776542512965 Energy: 3.3863038111596437 Energy: 2.2454522532121803 Energy: 2.5725423916818406 Energy: 2.571207688273152 Energy: 2.572542391683734 Energy: 2.2454522532121803 Energy: 2.5725423916849968 Energy: 2.5700449506947303 Energy: 3.4300804723599176 Energy: 2.569966680085959 Energy: 3.430080472358655 Energy: 2.5700449506947303 Energy: 3.430080472358655 Energy: 2.5712812915141483 Energy: 2.5724292037196688 Energy: 2.2392670677260944 Energy: 2.5724292037190377 Energy: 2.5712812915147794 Energy: 2.5724292037190377 Energy: 2.66244047399584 Energy: 3.386501007263943 Energy: 2.2404793022752796 Energy: 3.386501007263943 Energy: 2.6624404739952086 Energy: 3.386501007263943 Energy: 2.664398231369053 Energy: 2.9714282657709177 Energy: 2.244753455782126 Energy: 2.9714282657709177 Energy: 2.664398231369684 Energy: 2.9714282657709177 Energy: 2.24580658281454 Energy: 2.5807027098390867 Energy: 2.2464443224050474 Energy: 2.5807027098403488 Energy: 2.24580658281454 Energy: 2.5807027098390867 Energy: 2.2398242356932663 Energy: 2.8797279861222655 Energy: 2.4638924010441974 Energy: 2.879727986121635 Energy: 2.2398242356920037 Energy: 2.8797279861210034 Energy: 2.2496914327919506 Energy: 2.278661773131082 Energy: 2.668523521377231 Energy: 2.2786617731317134 Energy: 2.2496914327919506 Energy: 2.2786617731317134 Energy: 2.2415127049573518 Energy: 2.5701445046428772 Energy: 2.250843070267357 Energy: 2.5701445046428772 Energy: 2.241512704956721 Energy: 2.5701445046422453 Energy: 2.6598776530868657 Energy: 2.971581528664671 Energy: 2.2465767251028788 Energy: 2.9715815286653022 Energy: 2.6598776530881283 Energy: 2.971581528664671 minimum gb energy = 2.2387639118199187 eV minimum distance = 2.56645208559081 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 2.550128739202733 Energy: 2.5521738665843037 Energy: 2.553323753793539 Energy: 2.5521738665826694 Energy: 2.550128739202733 Energy: 2.5521738665843037 Energy: 2.552266845944419 Energy: 2.550950344203192 Energy: 2.550874828385372 Energy: 2.550950344202032 Energy: 2.5522668458662947 Energy: 2.5509503442025068 Energy: 2.550941221420893 Energy: 2.5509071029122365 Energy: 3.9134735569845023 Energy: 2.5509071029129218 Energy: 2.5509412214204183 Energy: 2.5509071029129218 Energy: 2.553323753742774 Energy: 2.552173866583381 Energy: 2.550128739202733 Energy: 2.552173866583829 Energy: 2.5533237537610924 Energy: 2.5521738665824585 Energy: 2.5508748283890883 Energy: 2.550950344202744 Energy: 2.5522668459342186 Energy: 2.550950344201347 Energy: 2.5508748283879283 Energy: 2.550950344202032 Energy: 3.9134735569845023 Energy: 2.5509071029122365 Energy: 2.5509412214213407 Energy: 2.550907102912711 Energy: 3.913473556984265 Energy: 2.5509071029119994 Energy: 2.550128739203418 Energy: 2.5521738665815095 Energy: 2.5533237537844986 Energy: 2.5521738665824585 Energy: 2.5501287392036556 Energy: 2.5521738665836184 Energy: 2.5522668459184565 Energy: 2.5509503442029806 Energy: 2.5508748283879283 Energy: 2.550950344202032 Energy: 2.552266845916137 Energy: 2.5509503442025068 Energy: 2.550941221420656 Energy: 2.5509071029129218 Energy: 3.913473556984265 Energy: 2.5509071029110766 Energy: 2.550941221420893 Energy: 2.5509071029124737 Energy: 2.5533237537750098 Energy: 2.5521738665831437 Energy: 2.5501287392024956 Energy: 2.552173866583381 Energy: 2.5533237537786997 Energy: 2.5521738665840665 minimum gb energy = 2.5501287392024956 eV minimum distance = 2.53784863869851 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.8239363330938183 Energy: 0.23963016471296605 Energy: 1.032005895881566 Energy: 0.23967151062091638 Energy: 0.73374625866592 Energy: 0.2525159900277047 Energy: 1.8906171113638488 Energy: 0.6262091872708335 Energy: 0.46910024599851113 Energy: 0.6262092000478822 Energy: 1.8731801587542432 Energy: 0.6262091937183256 Energy: 0.6280437873110352 Energy: 0.6338065045773306 Energy: 0.8785494168824733 Energy: 0.6338065045648366 Energy: 0.628043786396577 Energy: 0.6338065045204451 Energy: 0.6499786545917312 Energy: 2.2851387841468607 Energy: 0.5353338213709485 Energy: 2.2851387841732365 Energy: 0.649977962289313 Energy: 2.2851387840441637 Energy: 0.40877281524305786 Energy: 0.8973688919148177 Energy: 0.23514311103769658 Energy: 0.8973688918856649 Energy: 0.40877281554486944 Energy: 0.897368891923147 Energy: 0.27373559318154106 Energy: 0.6262506758989442 Energy: 2.034823105309864 Energy: 0.6262506808138417 Energy: 0.27374996002360763 Energy: 0.6262506728274764 Energy: 0.32463431866081316 Energy: 0.5703699949257574 Energy: 0.4915942379957495 Energy: 0.5703699961384936 Energy: 0.3246343183132218 Energy: 0.5703699954335935 Energy: 0.43789589448899974 Energy: 0.8938257310478945 Energy: 0.7327330240829333 Energy: 0.8938257310076361 Energy: 0.4378958944827527 Energy: 0.893825730994448 Energy: 0.6154064262213471 Energy: 0.5582137116420371 Energy: 2.408015106841171 Energy: 0.558223498509602 Energy: 0.6154064261165682 Energy: 0.5582628120537897 Energy: 1.2294541980961142 Energy: -0.02712075206690404 Energy: 0.451734516493889 Energy: -0.0009526135754771385 Energy: 1.2294541981023612 Energy: -0.026999016387528968 Energy: 0.2501110158907205 Energy: 0.6319043592476477 Energy: 1.6224886397673672 Energy: 0.6319043581840504 Energy: 0.2501110204920064 Energy: 0.6319043587730974 Energy: 0.229739004556659 Energy: 0.4342557361032951 Energy: 0.4641502496996749 Energy: 0.43425573610190693 Energy: 0.22973930848346036 Energy: 0.43425573607761314 Energy: 0.6500746845256303 Energy: 1.1658802863270046 Energy: 0.4319518834777696 Energy: 1.1658802863512983 Energy: 0.6500746845256303 Energy: 1.1658802863304751 Energy: 1.2280820815336182 Energy: 1.4180027873818457 Energy: 0.6359469909208104 Energy: 1.4180027873811514 Energy: 1.228082081532924 Energy: 1.4180027873686578 Energy: 0.43650287058793336 Energy: 0.43119653550225473 Energy: 0.5746700335923347 Energy: 0.43119653961996696 Energy: 0.4365028774586431 Energy: 0.43119655151660014 Energy: 0.4044453738783313 Energy: 1.410373684318326 Energy: 2.0337981496254924 Energy: 1.4103736843190202 Energy: 0.404445373908178 Energy: 1.410373684316938 Energy: 0.4170626831251139 Energy: 1.398118601216265 Energy: 0.4170030415564635 Energy: 1.3981186012689857 Energy: 0.4170626822647963 Energy: 1.3981186014008036 Energy: 0.45526825029327544 Energy: 0.4408693054277324 Energy: 0.5958778644018715 Energy: 0.4408693051682615 Energy: 0.4552682503258986 Energy: 0.4408693053639059 Energy: 0.6439201997363015 Energy: -0.2616568137623493 Energy: 0.6010409737241336 Energy: -0.2616568413583282 Energy: 0.6439201997349133 Energy: -0.26165680997695795 Energy: 1.2540087167187894 Energy: 0.21071249053734803 Energy: 0.3850293643409332 Energy: 0.2107124903236568 Energy: 1.2540087166223712 Energy: 0.2107124903729386 Energy: 0.3424699005613637 Energy: 0.09565805060523423 Energy: 0.3562801207111603 Energy: 0.10376273212066899 Energy: 0.20813736671276145 Energy: 0.09548939705819615 Energy: 0.9041085589803952 Energy: 0.8228465268763515 Energy: 1.6152638150316536 Energy: 0.8228465268756574 Energy: 0.8977581131788906 Energy: 0.8228465268721868 Energy: 0.5949470634019315 Energy: 0.310094849467407 Energy: 0.43890995645828346 Energy: 0.31024713217329 Energy: 0.5949470663616793 Energy: 0.3099566482436606 Energy: 1.2488432956991915 Energy: 0.6093045208097596 Energy: 2.416560687810101 Energy: 0.6093045207133413 Energy: 1.2488432915127938 Energy: 0.6093045210498268 Energy: 0.4182887104157184 Energy: 0.275477907508112 Energy: 0.6127045627751736 Energy: 0.2754779478769432 Energy: 0.41828810350642065 Energy: 0.27547791808581024 Energy: 0.4115061522184032 Energy: -0.6303217924516702 Energy: 0.5208545689488666 Energy: -0.6303164584395762 Energy: 0.41150615320845624 Energy: -0.630322083369685 Energy: 0.3740306327991495 Energy: 1.398618113986179 Energy: 2.0189380986101266 Energy: 1.3986181140000615 Energy: 0.3740306621434965 Energy: 1.3986181140007556 Energy: 0.4211150924477783 Energy: 0.5298102008706197 Energy: 1.989258066225806 Energy: 0.5298102010350607 Energy: 0.42111509245194295 Energy: 0.529810200805405 Energy: 0.42538162983132044 Energy: 0.6001138189785195 Energy: 0.8043460149044553 Energy: 0.6001139191593354 Energy: 0.4253817787829152 Energy: 0.6001139187715173 Energy: 0.5858612506674193 Energy: 0.5824818035917454 Energy: 2.791281606621794 Energy: 0.5824816663827228 Energy: 0.5858612492687248 Energy: 0.5824816826038184 Energy: 0.4769928633807833 Energy: 0.7178296671900012 Energy: 0.348947927335202 Energy: 0.7222177485915752 Energy: 0.47699292153731593 Energy: 0.7222224595156166 Energy: 0.32452663728633335 Energy: 0.26324161545376096 Energy: 1.3713667062502664 Energy: 0.2633948781434742 Energy: 0.3245266237384758 Energy: 0.26337220961352864 Energy: 0.4932675377633822 Energy: 1.5276559126356504 Energy: 0.3230746811666258 Energy: 1.5276559124351472 Energy: 0.4932739623485208 Energy: 1.5276559133037941 minimum gb energy = -0.630322083369685 eV minimum distance = 2.52526179889859 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: -0.33554975375454255 Energy: 0.820531816733958 Energy: 1.6412125295024822 Energy: 0.8205641544043606 Energy: -0.3355497572313812 Energy: 0.8202215981578311 Energy: -0.7360190995072056 Energy: 0.24963237122572116 Energy: -0.22309414402581473 Energy: 0.24963237120297352 Energy: -0.7360190997247019 Energy: 0.2496323712089077 Energy: 1.3558243437598532 Energy: 1.7932270694476058 Energy: 0.8140898722189982 Energy: 1.7932270694446386 Energy: 1.3558243437736546 Energy: 1.7932270694446386 Energy: 1.7281311870288727 Energy: 2.388139943334013 Energy: 0.27937852268727037 Energy: 2.388139943313243 Energy: 1.7281311873936447 Energy: 2.388139943318188 Energy: 0.24342528217451295 Energy: 1.1247918080878943 Energy: -0.30954983254506335 Energy: 1.1247918079712786 Energy: 0.24342528218435827 Energy: 1.124791808045411 Energy: 0.15739271195717996 Energy: 0.05937760467679635 Energy: 1.9232004356494063 Energy: 0.059379644842873947 Energy: 0.15739271283602138 Energy: 0.059379645737539836 Energy: -0.21880260317352515 Energy: 1.3010757896038678 Energy: -0.02324539983103044 Energy: 1.3010757984121977 Energy: -0.21880256838014386 Energy: 1.3010758066846988 Energy: 1.3591691844213476 Energy: 2.5149312376876742 Energy: 3.4703847981972067 Energy: 2.5149312376866853 Energy: 1.3591691844213476 Energy: 2.5149312376847073 Energy: 1.3535738746596446 Energy: 1.4285348271519085 Energy: 3.476517889712847 Energy: 1.4285348271509193 Energy: 1.3535738746586554 Energy: 1.4285348271509193 Energy: 1.3495510363865786 Energy: 0.04481060979219352 Energy: 1.860680255814125 Energy: -0.00876758978269939 Energy: 1.3495510363865786 Energy: -0.08912057282240958 Energy: 0.26445039405876836 Energy: 0.17042496030764162 Energy: 1.859372968453661 Energy: 0.1704253984364626 Energy: 0.26445039407360377 Energy: 0.17042575930307796 Energy: 0.16892194673365324 Energy: 1.4974403891193417 Energy: 0.21572746045845717 Energy: 1.4974403891282433 Energy: 0.2551015233933481 Energy: 1.497440389129232 Energy: 0.047435415756395406 Energy: 1.049426105712779 Energy: 0.2340713754851391 Energy: 1.0494261050672131 Energy: 0.04025413881713513 Energy: 1.0494261054191723 Energy: 1.8586907147663734 Energy: 0.051499048537513456 Energy: 1.3511517585158546 Energy: -0.06589992226975533 Energy: 1.8586907147643958 Energy: 0.018583219835154745 Energy: 2.7215451929753165 Energy: 2.0868223330645845 Energy: 1.3469123424830898 Energy: 2.086822333065574 Energy: 2.7215451925215324 Energy: 2.0868223330665625 Energy: 2.7045368724425765 Energy: 0.3937570790168363 Energy: 1.360293958131802 Energy: 0.3937570790178253 Energy: 2.70453687243862 Energy: 0.3937570790168363 Energy: 0.05441151988556344 Energy: 1.315015596006467 Energy: 1.8463500961530184 Energy: 1.3150155960045338 Energy: 0.05441349696976153 Energy: 1.3150155960045338 Energy: 1.1250841861613057 Energy: 1.8236125017553035 Energy: 0.15073427326956193 Energy: 1.8236125017553035 Energy: 1.1250841861672398 Energy: 1.8236125017543143 Energy: -0.40902098520604807 Energy: 1.882675166338614 Energy: 0.1853106734468546 Energy: 1.8827334358922823 Energy: -0.4090209843835812 Energy: 1.881394971170328 Energy: 0.1425080488037103 Energy: 1.8320758768048218 Energy: -0.3016108787738392 Energy: 1.8320758768048218 Energy: 0.14250807199107093 Energy: 1.8320758768038325 Energy: 2.9005046390766425 Energy: 2.2665781634506983 Energy: 1.8948590124730826 Energy: 2.266578163454654 Energy: 2.9005046390756535 Energy: 2.2665781634536653 Energy: -0.3977265011872975 Energy: 0.29183523415220636 Energy: 1.0784435655097175 Energy: 0.2918352353582812 Energy: -0.39773327089984456 Energy: 0.2918352339446003 Energy: 1.8757515760318193 Energy: 0.7192833545600068 Energy: 2.1038812187899745 Energy: 0.75454459616224 Energy: 1.875751581914918 Energy: 0.673352541255342 minimum gb energy = -0.7360190997247019 eV minimum distance = 2.49946178619051 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 2.5861374121333776 Energy: 1.3060122626170263 Energy: 2.2344851554228415 Energy: 1.3060122626170263 Energy: 2.5861374121340046 Energy: 1.3060122626176538 Energy: 1.3848630591042908 Energy: 2.5602526111177264 Energy: 1.3673858336176454 Energy: 2.5602526111177264 Energy: 1.3848630590754296 Energy: 2.5602526111177264 Energy: 1.3719877351651626 Energy: 1.5788209093813343 Energy: 2.0677075748730678 Energy: 1.5788209093807068 Energy: 1.37198773516579 Energy: 1.5788209093800794 Energy: 1.5903996631947508 Energy: 2.4618448172517016 Energy: 1.3839886854072407 Energy: 2.4618448172517016 Energy: 1.5903996631934958 Energy: 2.4618448172498195 Energy: 2.4301396696432294 Energy: 1.356862641981363 Energy: 2.4651383636720623 Energy: 1.3568626419838725 Energy: 2.4301396696426023 Energy: 1.3568626419819905 Energy: 2.4432210508896697 Energy: 1.4059392545215208 Energy: 1.3741931154775162 Energy: 1.4059392545215208 Energy: 2.443221050887787 Energy: 1.4059392545215208 Energy: 1.3719480885275201 Energy: 1.4236913299695797 Energy: 1.4425827851465491 Energy: 1.4236913299695797 Energy: 1.3719480885281476 Energy: 1.4236913299695797 Energy: 1.4430099610844576 Energy: 1.353935470058078 Energy: 2.4298709099962426 Energy: 1.3539354700593327 Energy: 1.4430099610863398 Energy: 1.353935470058078 Energy: 2.455610645593403 Energy: 2.012633806237974 Energy: 2.429014272270791 Energy: 2.012633806237347 Energy: 2.455610645593403 Energy: 2.0126338062367193 Energy: 1.3878917745456185 Energy: 2.066062684585904 Energy: 1.3749439122669445 Energy: 2.066062684586532 Energy: 1.387891774546246 Energy: 2.066062684585904 Energy: 1.3712266771194914 Energy: 1.4322041773027614 Energy: 1.4478026043745793 Energy: 1.432204177300879 Energy: 1.371226677118864 Energy: 1.432204177302134 Energy: 1.3718987149259352 Energy: 1.486547120496876 Energy: 1.3831244987899878 Energy: 1.4865471205000131 Energy: 1.3718987149253077 Energy: 1.4865471205006406 Energy: 2.5561086258723527 Energy: 2.145882898724699 Energy: 2.4830007389015476 Energy: 2.145882898723444 Energy: 2.5561086258723527 Energy: 2.145882898707759 Energy: 1.3675965831070733 Energy: 2.5402264033678454 Energy: 1.3984011808074597 Energy: 2.5402264033691 Energy: 1.3675965831077008 Energy: 2.540226403368473 Energy: 2.593392126202318 Energy: 1.5781437424619043 Energy: 1.3719838824252695 Energy: 1.5781437424625318 Energy: 2.593392126202318 Energy: 1.5781437424625318 Energy: 1.382542667131184 Energy: 2.4587501067261854 Energy: 1.3754450902974216 Energy: 2.458750106725558 Energy: 1.3825426671305565 Energy: 2.458750106724931 Energy: 1.4540114030842617 Energy: 1.361309838756079 Energy: 2.541351703959646 Energy: 1.3613098387228826 Energy: 1.454011396321182 Energy: 1.3613098387103342 Energy: 1.3692149446665107 Energy: 1.4242232689571455 Energy: 1.3906815533949244 Energy: 1.424223268956518 Energy: 1.3692149446658832 Energy: 1.4242232689571455 Energy: 1.9238254469088327 Energy: 1.424728428230135 Energy: 1.3701710586764286 Energy: 1.4247284282307624 Energy: 1.9238254469088327 Energy: 1.4247284282307624 Energy: 2.426350798098604 Energy: 1.3587646032819487 Energy: 1.4432341027842281 Energy: 1.3587646032744198 Energy: 2.4263507980992314 Energy: 1.3587646032549698 Energy: 1.3712351623473744 Energy: 1.9917318726017692 Energy: 1.386844890048707 Energy: 1.991731872603024 Energy: 1.371235168263208 Energy: 1.9917318726023965 Energy: 1.3711661629095941 Energy: 1.4237108322883543 Energy: 2.4644917835021984 Energy: 1.4237108322870995 Energy: 1.3711661629102216 Energy: 1.4237108322877268 Energy: 1.444995515687894 Energy: 1.4233475240989373 Energy: 1.370726622619395 Energy: 1.4233475240995648 Energy: 1.444995515687894 Energy: 1.4233475241001923 Energy: 2.4847451622692485 Energy: 2.030731530690167 Energy: 1.3740320644014996 Energy: 2.030731530697069 Energy: 2.4847451622692485 Energy: 2.0307315306951867 Energy: 1.3842424492256862 Energy: 1.4828557104109181 Energy: 1.373569654408473 Energy: 1.4828557104102906 Energy: 1.3842424496621994 Energy: 1.4828557104102906 Energy: 1.4450571067600653 Energy: 1.5292581872508715 Energy: 1.3713996748674728 Energy: 1.5292581872527538 Energy: 1.4450571067613203 Energy: 1.5292581872496165 Energy: 1.3725023291571 Energy: 1.4233645033522793 Energy: 2.463193799559804 Energy: 1.4233645033541613 Energy: 1.3725023291564724 Energy: 1.4233645033522793 Energy: 2.4411087410747694 Energy: 2.0243014833956754 Energy: 1.3907591608436987 Energy: 2.0243014833956754 Energy: 2.4411087410747694 Energy: 2.0243014833919104 Energy: 2.4308973983309787 Energy: 1.9217947409526244 Energy: 1.4438294615189506 Energy: 1.921794740953252 Energy: 2.4308973983303517 Energy: 1.921794740953252 Energy: 1.4432079251403638 Energy: 1.423987704020655 Energy: 1.3700404987779238 Energy: 1.4239877040194002 Energy: 1.4432079251397365 Energy: 1.4239877040194002 Energy: 1.372383188539314 Energy: 2.060743498373567 Energy: 1.3696713092294888 Energy: 2.060743498373567 Energy: 1.3723831885386866 Energy: 2.060743498373567 Energy: 1.9217559008960274 Energy: 1.3616676843636493 Energy: 2.4267415230752727 Energy: 1.3616676843655315 Energy: 1.921755900871558 Energy: 1.361667684366159 Energy: 1.3824337052872888 Energy: 2.4614428809251168 Energy: 2.0324777296355117 Energy: 2.4614428809238618 Energy: 1.3824337052872888 Energy: 2.4614428809238618 Energy: 1.3862103266351606 Energy: 1.5786495633791242 Energy: 1.3709523069522347 Energy: 1.5786495633791242 Energy: 1.3862103198683167 Energy: 1.5786495633791242 Energy: 1.366358386216695 Energy: 2.5634169200329406 Energy: 1.3808087666561835 Energy: 2.5634169200323136 Energy: 1.3663583862154403 Energy: 2.563416920031686 Energy: 2.5544905209217945 Energy: 1.311403233809664 Energy: 2.4774110664571074 Energy: 1.311403233913759 Energy: 2.554490520921167 Energy: 1.3114032339538566 Energy: 1.3710350500751027 Energy: 2.6590534332539697 Energy: 1.3865009213838921 Energy: 2.659053433254597 Energy: 1.3710350500751027 Energy: 2.659053433255852 minimum gb energy = 1.3060122626170263 eV minimum distance = 2.50646670355163 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: -0.025417306322033706 Energy: 0.43561988747908426 Energy: 1.6936329679509885 Energy: 0.43561988748422337 Energy: -0.025417195054217714 Energy: 0.4356198874807973 Energy: 2.5722532898930885 Energy: 0.2461582196359962 Energy: 0.2990844842273766 Energy: 0.2461582196359962 Energy: 2.5722532896705093 Energy: 0.24615821963770926 Energy: 0.005771199220867334 Energy: 1.3092151467880508 Energy: 1.195498679074943 Energy: 1.3092151467880508 Energy: 0.005771434177413972 Energy: 1.3092151467880508 Energy: 2.6852712889328942 Energy: 0.2523984963165728 Energy: 0.2948524000551654 Energy: 0.25239849631828587 Energy: 2.685271322853289 Energy: 0.25239849631828587 Energy: 0.006213549848542294 Energy: 0.2514504542832148 Energy: 0.3025063707150914 Energy: 0.2514504542815017 Energy: 0.0062135494170491076 Energy: 0.2514504542797887 Energy: 0.008361514709556601 Energy: 0.08928573386559319 Energy: 0.29718411474938916 Energy: 0.08928573386388014 Energy: 0.008361514872218206 Energy: 0.08928573386388014 Energy: 2.713112995368125 Energy: 0.24705275567407392 Energy: 0.2981833282620296 Energy: 0.24705275567236085 Energy: 2.7131129961403584 Energy: 0.24705275567236085 Energy: 0.00671690270240549 Energy: 0.2437217118450618 Energy: 0.3049332544320534 Energy: 0.2437217118433487 Energy: 0.006717014530115329 Energy: 0.24372171185191396 Energy: 2.620755048563099 Energy: 0.08697794230481037 Energy: 0.29369114116638567 Energy: 0.08697794230481037 Energy: 2.620755048563099 Energy: 0.08697794230309733 Energy: 0.004473890866985326 Energy: 0.44407788345025145 Energy: 0.30231706212872905 Energy: 0.44407788344853844 Energy: 0.004474465140499657 Energy: 0.44407788344853844 Energy: 2.6235225043410515 Energy: 0.24688183989200466 Energy: 0.2922739093686417 Energy: 0.24688183989029164 Energy: 2.62352250432906 Energy: 0.24688183989371773 Energy: 0.01515786553261296 Energy: 1.3087371007012787 Energy: 2.112338731746324 Energy: 1.3087371007098052 Energy: 0.015178352764613552 Energy: 1.3087371007183703 Energy: 2.6239034328967095 Energy: 0.24876061428692564 Energy: 0.29332253811625497 Energy: 0.24876061428178647 Energy: 2.623903432888144 Energy: 0.2487606142783604 Energy: 0.005608585137915738 Energy: 0.4358086792528245 Energy: 0.31902174448529175 Energy: 0.4358086792562506 Energy: 0.005608984121206792 Energy: 0.4358086792562506 minimum gb energy = -0.025417306322033706 eV minimum distance = 2.66698755916339 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 3.339842541751717 Energy: 2.0610398611326857 Energy: 2.25235882779746 Energy: 2.0610398611326857 Energy: 3.3398425417524695 Energy: 2.0610398611326857 Energy: 2.0754907196842254 Energy: 2.168229390766442 Energy: 2.066415395845522 Energy: 2.1682293909259114 Energy: 2.075490719683473 Energy: 2.168229390752896 Energy: 2.07687935658228 Energy: 2.1743971128800506 Energy: 2.0674884606935597 Energy: 2.1743971128785455 Energy: 2.07687935658228 Energy: 2.1743971128800506 Energy: 2.178687042008315 Energy: 2.163981864660442 Energy: 2.0703498545172008 Energy: 2.1639818646611944 Energy: 2.178687042008315 Energy: 2.163981864661947 Energy: 2.06800139273853 Energy: 2.1297706057123826 Energy: 2.1695465156144778 Energy: 2.1297706057123826 Energy: 2.0680013927370253 Energy: 2.1297706057123826 Energy: 2.077860263331103 Energy: 2.119221938124614 Energy: 2.0743796176690803 Energy: 2.1192219381268718 Energy: 2.077860263331103 Energy: 2.1192219381238613 Energy: 2.182915892582925 Energy: 2.127744653667033 Energy: 2.0605060309134546 Energy: 2.127744653667033 Energy: 2.182915892583677 Energy: 2.127744653665528 Energy: 2.0739018109867 Energy: 2.1726371635784107 Energy: 2.0679235287535502 Energy: 2.1726371635791635 Energy: 2.0739018109867 Energy: 2.1726371635791635 Energy: 2.0737956107352193 Energy: 2.354899154646669 Energy: 2.0679331718472636 Energy: 2.3548991546444116 Energy: 2.0737956107352193 Energy: 2.354899154647421 Energy: 2.06361948854817 Energy: 2.1648991093711007 Energy: 2.168975322706171 Energy: 2.1648991093703485 Energy: 2.0636194885474173 Energy: 2.1648991093711007 Energy: 2.1094084082429347 Energy: 2.0567488335014548 Energy: 2.066812600630858 Energy: 2.056748833500703 Energy: 2.10940840824444 Energy: 2.05674883349995 Energy: 2.078046247442532 Energy: 2.12475423904378 Energy: 2.083552267343331 Energy: 2.1247542390445324 Energy: 2.078046247442532 Energy: 2.12475423904378 Energy: 2.068005500396124 Energy: 2.165342147499374 Energy: 2.1752432738490697 Energy: 2.165342147499374 Energy: 2.0680055003953712 Energy: 2.165342147498621 Energy: 2.170068573750155 Energy: 2.3550053552208516 Energy: 2.1689037387319616 Energy: 2.3550053552200994 Energy: 2.170068573750908 Energy: 2.355005355218594 Energy: 2.0693943597583844 Energy: 2.6538805980506033 Energy: 2.078050012657278 Energy: 2.6538805980506033 Energy: 2.0693943597591367 Energy: 2.653880598049851 Energy: 2.1677385844252015 Energy: 2.0589901616840436 Energy: 2.0657202813541216 Energy: 2.058990161684796 Energy: 2.167738584425954 Energy: 2.058990161684796 Energy: 2.064600179480773 Energy: 2.061201632171517 Energy: 2.0808197647367073 Energy: 2.061201632171517 Energy: 2.06460017948002 Energy: 2.061201632171517 Energy: 2.0658191640351653 Energy: 2.653777792033085 Energy: 2.0700262286508053 Energy: 2.653777792024055 Energy: 2.0658191640351653 Energy: 2.653777792024808 Energy: 2.169699831516808 Energy: 2.1644680144153248 Energy: 2.1693325260244705 Energy: 2.1644680144160775 Energy: 2.1696998315160556 Energy: 2.1644680144160775 Energy: 2.0706278994376976 Energy: 2.1661677844278087 Energy: 2.0718290660083456 Energy: 2.1661677844278087 Energy: 2.0706278994376976 Energy: 2.1661677844278087 Energy: 2.088203825452054 Energy: 2.1280018439811257 Energy: 2.077172044186165 Energy: 2.1280018439811257 Energy: 2.088203825452054 Energy: 2.128001843980373 Energy: 2.0675782285028292 Energy: 2.054555031359935 Energy: 2.1680019219291635 Energy: 2.0545550313953047 Energy: 2.067578228502077 Energy: 2.05455503131858 Energy: 2.101231290245899 Energy: 2.1646468986325695 Energy: 2.0774443560561884 Energy: 2.1646468986325695 Energy: 2.101231290244394 Energy: 2.1646468986325695 Energy: 2.070951388964189 Energy: 2.3520748807637273 Energy: 2.0781357688492044 Energy: 2.3520748807637273 Energy: 2.070951388964189 Energy: 2.3520748807637273 Energy: 2.071391983796402 Energy: 2.1731641858606787 Energy: 2.0751719757530753 Energy: 2.1731641858614315 Energy: 2.071391983796402 Energy: 2.1731641858614315 Energy: 2.0732176446883823 Energy: 2.1237273637714695 Energy: 2.179317520034384 Energy: 2.1237273637631917 Energy: 2.0732176446883823 Energy: 2.123727363769212 Energy: 2.0715999465605837 Energy: 2.1212699376542865 Energy: 2.0673741586275876 Energy: 2.1212699376550392 Energy: 2.0715999465598314 Energy: 2.121269937657297 Energy: 2.1728819615840225 Energy: 2.129778630685534 Energy: 2.07843492196506 Energy: 2.1297786306847817 Energy: 2.1728819615840225 Energy: 2.1297786306840285 Energy: 2.073426294397612 Energy: 2.166357525546227 Energy: 2.1822043285323334 Energy: 2.166357525546227 Energy: 2.073426294397612 Energy: 2.1663575255469794 Energy: 2.0684738607461775 Energy: 2.177456903561462 Energy: 2.074736390678824 Energy: 2.1774569035622147 Energy: 2.068473860745425 Energy: 2.1774569035622147 Energy: 2.0655864985910997 Energy: 2.252667629342658 Energy: 2.0711967219271563 Energy: 2.252667629342658 Energy: 2.065586498592605 Energy: 2.2526676293419055 minimum gb energy = 2.05455503131858 eV minimum distance = 2.50059831783915 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 2.6994587992317256 Energy: 2.679755610281269 Energy: 1.8928546781859574 Energy: 2.6797556102799307 Energy: 2.6994587992317256 Energy: 2.6797556102799307 Energy: 2.6685414470541615 Energy: 2.705588381475732 Energy: 2.6982808773062263 Energy: 2.705588381475732 Energy: 2.668541447052822 Energy: 2.705588381475732 Energy: 2.6690415675852717 Energy: 2.783162702538409 Energy: 2.698076420353086 Energy: 2.783162702538409 Energy: 2.6690415675852717 Energy: 2.7831627025397485 Energy: 2.699326261385326 Energy: 2.781587646159841 Energy: 2.699399614332305 Energy: 2.7815876461611806 Energy: 2.699326261383987 Energy: 2.781587646159841 Energy: 2.6980931181929155 Energy: 2.7831925661799355 Energy: 2.668712413891574 Energy: 2.7831925661799355 Energy: 2.6980931181929155 Energy: 2.7831925661799355 Energy: 2.698185843454573 Energy: 2.702142252035716 Energy: 2.6684080192841493 Energy: 2.702142252035716 Energy: 2.698185843454573 Energy: 2.702142252035716 Energy: 2.97571397182298 Energy: 2.6797556102799307 Energy: 2.699458799233065 Energy: 2.6797556102799307 Energy: 2.975713971824319 Energy: 2.679755610281269 Energy: 2.6982808773062263 Energy: 2.705588381474393 Energy: 2.668541447052822 Energy: 2.705588381475732 Energy: 2.6982808773062263 Energy: 2.705588381474393 Energy: 2.698076420353086 Energy: 2.783162702538409 Energy: 2.6690415675852717 Energy: 2.783162702538409 Energy: 2.698076420353086 Energy: 2.783162702538409 Energy: 2.699399614332305 Energy: 1.5097610516455044 Energy: 2.699326261383987 Energy: 1.5097610518971734 Energy: 2.699399614332305 Energy: 1.5097610517004096 Energy: 2.668712413892913 Energy: 2.7831925661799355 Energy: 2.6980931181929155 Energy: 2.7831925661799355 Energy: 2.668712413892913 Energy: 2.7831925661799355 Energy: 2.6684080192841493 Energy: 2.702142252035716 Energy: 2.698185843455912 Energy: 2.702142252035716 Energy: 2.6684080192828405 Energy: 2.702142252035716 Energy: 2.6994587992317256 Energy: 2.6797556102799307 Energy: 2.97571397182298 Energy: 2.6797556102799307 Energy: 2.6994587992317256 Energy: 2.6797556102799307 Energy: 2.66854144705684 Energy: 2.705588381474393 Energy: 2.6982808773062263 Energy: 2.705588381475732 Energy: 2.6685414470541615 Energy: 2.705588381475732 Energy: 2.669041567586611 Energy: 2.7831627025397485 Energy: 2.698076420354425 Energy: 2.783162702538409 Energy: 2.669041567586611 Energy: 2.783162702538409 Energy: 2.699326261383987 Energy: 3.081284782079765 Energy: 2.699399614332305 Energy: 3.0812847820784564 Energy: 2.699326261383987 Energy: 3.081284782079765 Energy: 2.698093118194255 Energy: 2.7831925661799355 Energy: 2.668712413892913 Energy: 2.7831925661799355 Energy: 2.698093118194255 Energy: 2.7831925661799355 minimum gb energy = 1.5097610516455044 eV minimum distance = 2.50252862105263 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 2.3076480349680404 Energy: 2.319989644002366 Energy: 2.8034227099983724 Energy: 2.319989644002366 Energy: 2.307648034963667 Energy: 2.319989644002366 Energy: 2.2844851925613834 Energy: 2.350827980623559 Energy: 2.5699580760433416 Energy: 2.3508279806279324 Energy: 2.28448519256029 Energy: 2.3508279806290266 Energy: 2.683469344768418 Energy: 2.3515323565496584 Energy: 2.554620638220397 Energy: 2.3515323565496584 Energy: 2.683469344768418 Energy: 2.3515323565485655 Energy: 2.683024874558108 Energy: 2.5998142818351266 Energy: 2.354241839465023 Energy: 2.599814281837314 Energy: 2.683024874558108 Energy: 2.5998142818362204 Energy: 2.2882199290283918 Energy: 2.9136820089567954 Energy: 2.5620490426279563 Energy: 2.913682008952422 Energy: 2.288219929029485 Energy: 2.913682008952422 Energy: 2.6831652367275654 Energy: 2.6147210669983463 Energy: 2.596714937696171 Energy: 2.614721066995066 Energy: 2.6831652367275654 Energy: 2.614721066995066 Energy: 2.686373918449415 Energy: 2.354910567719874 Energy: 2.563014632967537 Energy: 2.3549105677209674 Energy: 2.686373918450508 Energy: 2.354910567719874 Energy: 2.286384857238846 Energy: 2.341293107119727 Energy: 2.5526658699943914 Energy: 2.341293107121914 Energy: 2.286384857238846 Energy: 2.341293107121914 Energy: 2.2874887133589357 Energy: 2.2858827494056677 Energy: 2.3505731838953023 Energy: 2.2858827494067606 Energy: 2.2874887133600295 Energy: 2.2858827494078544 Energy: 2.7024121655739957 Energy: 2.3518283075928146 Energy: 2.5558330439951504 Energy: 2.351828307596095 Energy: 2.7024121655739957 Energy: 2.351828307596095 Energy: 2.686459987095914 Energy: 2.4554858660915873 Energy: 2.4743663134299827 Energy: 2.455485866088307 Energy: 2.686459987097007 Energy: 2.455485866089401 Energy: 2.6833688666424345 Energy: 2.615791318953077 Energy: 2.35208019838441 Energy: 2.615791318954171 Energy: 2.683368866641341 Energy: 2.615791318954171 Energy: 2.6870964844288854 Energy: 2.5991641798788017 Energy: 2.4502578895363 Energy: 2.5991641798777088 Energy: 2.687096484427792 Energy: 2.5991641798777088 Energy: 2.68286956208986 Energy: 2.5663145887030927 Energy: 2.3486935651435643 Energy: 2.566314588700906 Energy: 2.6828695620887664 Energy: 2.5663145887019994 Energy: 2.7025811516085385 Energy: 2.332120090114693 Energy: 2.51526031566686 Energy: 2.3321200901070887 Energy: 2.7025811516085385 Energy: 2.332120090114693 Energy: 2.2864411979472243 Energy: 2.292568358802463 Energy: 2.351202527077886 Energy: 2.2925683588046497 Energy: 2.2864411979472243 Energy: 2.2925683588035564 Energy: 2.283320843169212 Energy: 2.290295434875916 Energy: 2.353767558363417 Energy: 2.290295434872635 Energy: 2.283320843170306 Energy: 2.290295434872635 Energy: 2.5265439285055344 Energy: 2.3581836175660777 Energy: 2.5551264726405534 Energy: 2.3581836175660777 Energy: 2.5265439285055344 Energy: 2.3581836175671707 Energy: 2.687452094474122 Energy: 2.5671772592777047 Energy: 2.3511292236064896 Energy: 2.5671772592787985 Energy: 2.687452094474122 Energy: 2.5671772592787985 Energy: 2.6822522757021923 Energy: 2.9245982770163765 Energy: 2.501936483572899 Energy: 2.9245982770163765 Energy: 2.6822522757043794 Energy: 2.9245982770163765 Energy: 2.6877998455703533 Energy: 2.6184596921124577 Energy: 2.3500166771920714 Energy: 2.6184596921113643 Energy: 2.6877998455703533 Energy: 2.6184596921113643 minimum gb energy = 2.283320843169212 eV minimum distance = 2.51144304818941 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 2.727881403641522 Energy: 2.6976176337351023 Energy: 2.7114765373991667 Energy: 2.6976176337351023 Energy: 2.7278814036396795 Energy: 2.6976176337351023 Energy: 2.640974216528938 Energy: 2.6287052525626025 Energy: 2.641251839851051 Energy: 2.6287052525635244 Energy: 2.640974216528938 Energy: 2.6287052525626025 Energy: 2.635663955376188 Energy: 2.6345230491261282 Energy: 2.6413512412115936 Energy: 2.634523049125206 Energy: 2.63566395537711 Energy: 2.6345230491261282 Energy: 2.6418736836085883 Energy: 3.134463712611062 Energy: 2.5993701289463744 Energy: 3.134463712611062 Energy: 2.6418736836085883 Energy: 3.134463712611062 Energy: 2.64144480700191 Energy: 3.228833058308253 Energy: 2.641172409386864 Energy: 3.2288330583091756 Energy: 2.6414448070028325 Energy: 3.2288330583091756 Energy: 2.6343675689939383 Energy: 2.6336668722771672 Energy: 2.6311678076326412 Energy: 2.6336668722771672 Energy: 2.634367568993017 Energy: 2.6336668722762457 Energy: 2.6414502450007924 Energy: 2.9428631958343625 Energy: 2.6413736407174255 Energy: 2.942863195833441 Energy: 2.6414502450007924 Energy: 2.942863195833441 Energy: 2.6418687283439612 Energy: 2.898565472598287 Energy: 2.6412878843981313 Energy: 2.8985654725973653 Energy: 2.6418687283439612 Energy: 2.8985654726001306 Energy: 2.6429605242250718 Energy: 3.1077759919719092 Energy: 2.7127808695238986 Energy: 3.107775991972831 Energy: 2.6429605242250718 Energy: 3.1077759919719092 Energy: 2.6424774060734855 Energy: 2.6423702889909517 Energy: 2.726976193314525 Energy: 2.6423702889909517 Energy: 2.6424774060734855 Energy: 2.6423702889909517 Energy: 2.6424706936311644 Energy: 2.6423364557443576 Energy: 2.7268965976053687 Energy: 2.6423364557434357 Energy: 2.6424706936311644 Energy: 2.6423364557443576 Energy: 2.6432374658268807 Energy: 2.7006618151708888 Energy: 2.7125146832240987 Energy: 2.7006618151718103 Energy: 2.6432374658268807 Energy: 2.7006618151718103 Energy: 2.6418753760384943 Energy: 2.924762896639662 Energy: 2.6413005986856923 Energy: 2.924762896641505 Energy: 2.6418753760384943 Energy: 2.924762896640584 Energy: 2.641453312036963 Energy: 2.9427798705446735 Energy: 2.641325705277734 Energy: 2.942779870543752 Energy: 2.641453312036963 Energy: 2.942779870543752 Energy: 2.6344738542409836 Energy: 2.63370398384202 Energy: 2.631199512707459 Energy: 2.633703983841098 Energy: 2.6344738542409836 Energy: 2.633703983841098 Energy: 2.641455650662584 Energy: 3.22883305830641 Energy: 2.6410872079427183 Energy: 3.2288330583054883 Energy: 2.641455650662584 Energy: 3.228833058304567 Energy: 2.6417078606277986 Energy: 3.1346445409183836 Energy: 2.6270072558840862 Energy: 3.134644540919305 Energy: 2.641707860626877 Energy: 3.1346445409183836 Energy: 2.635605795950373 Energy: 2.634649822009257 Energy: 2.641343124842113 Energy: 2.6346498220064922 Energy: 2.6356057959512946 Energy: 2.6346498220074137 Energy: 2.640976797422238 Energy: 2.6288531053296222 Energy: 2.6412189858531376 Energy: 2.6288531053287 Energy: 2.640976797422238 Energy: 2.6288531053296222 Energy: 2.727881403641522 Energy: 2.6976176337351023 Energy: 2.7569705924789827 Energy: 2.6976176337360243 Energy: 2.7278814036396795 Energy: 2.6976176337360243 Energy: 2.6409742165280155 Energy: 2.6287052525635244 Energy: 2.641251839851051 Energy: 2.6287052525626025 Energy: 2.6409742165280155 Energy: 2.6287052525626025 Energy: 2.63566395537711 Energy: 2.6345230491261282 Energy: 2.6413512412115936 Energy: 2.634523049125206 Energy: 2.63566395537711 Energy: 2.6345230491261282 Energy: 2.6418736836085883 Energy: 3.134463712611062 Energy: 2.627932347277711 Energy: 3.13446371261014 Energy: 2.64187368360951 Energy: 3.134463712611062 Energy: 2.6414448070028325 Energy: 3.2288330583091756 Energy: 2.641172409386864 Energy: 3.228833058308253 Energy: 2.6414448070028325 Energy: 3.228833058308253 Energy: 2.634367568993017 Energy: 2.6336668722762457 Energy: 2.6311678076326412 Energy: 2.6336668722771672 Energy: 2.634367568993017 Energy: 2.6336668722762457 minimum gb energy = 2.5993701289463744 eV minimum distance = 2.55963831635964 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 2.3581940231722305 Energy: 2.398091288873062 Energy: -0.07326781796704356 Energy: 2.398091288873062 Energy: 2.358194023173026 Energy: 2.398091288872266 Energy: 2.400725741761431 Energy: 2.2926663906456537 Energy: 2.33842815126979 Energy: 2.292666390646449 Energy: 2.400725741761431 Energy: 2.292666390646449 Energy: 0.9762942935245442 Energy: 2.402837215451096 Energy: 2.3375543056910275 Energy: 2.4028372154526867 Energy: 0.9762942935237485 Energy: 2.4028372154526867 Energy: 2.4021398007339037 Energy: 2.4261511038045596 Energy: 2.4108428316668715 Energy: 2.4261511038037638 Energy: 2.402139800734699 Energy: 2.4261511038045596 Energy: 2.40260583273198 Energy: 2.484242933519524 Energy: 2.4076848125883963 Energy: 2.4842429335211147 Energy: 2.40260583273198 Energy: 2.4842429335211147 Energy: 2.4115517446981483 Energy: 2.3984148505298477 Energy: 2.4006107604067943 Energy: 2.3984148505298477 Energy: 2.4115517446973525 Energy: 2.398414850529052 Energy: 2.4027518310807663 Energy: 3.0341585677783307 Energy: 2.408080598757222 Energy: 3.034158567777535 Energy: 2.4027518310807663 Energy: 3.0341585677783307 Energy: 2.401028928233826 Energy: 2.3981376668577385 Energy: 2.401176694295036 Energy: 2.3981376668601255 Energy: 2.401028928232235 Energy: 2.3981376668601255 Energy: 2.402287003015812 Energy: 2.3985502367966167 Energy: -0.20079839662685817 Energy: 2.398550236798207 Energy: 2.4022870030166077 Energy: 2.398550236798207 Energy: 2.4060084766609084 Energy: 2.3663128181744257 Energy: 2.337987307686441 Energy: 2.3663128181728346 Energy: 2.406008476660113 Energy: 2.3663128181728346 Energy: 2.4098530414665977 Energy: 2.320677546721598 Energy: 2.2978397246760465 Energy: 2.3206775467192116 Energy: 2.409853041465802 Energy: 2.3206775467192116 Energy: 1.9967704694949167 Energy: 2.340667515589522 Energy: 2.339844266563737 Energy: 2.340667515587135 Energy: 1.9967704694980986 Energy: 2.340667515588726 Energy: 1.9968415343959083 Energy: 2.439056376173438 Energy: 2.3410625436800405 Energy: 2.439056376173438 Energy: 1.996841534396704 Energy: 2.439056376173438 Energy: 2.411377962401832 Energy: 2.3204769210297984 Energy: 2.2560047371991168 Energy: 2.3204769210313896 Energy: 2.4113779624026277 Energy: 2.3204769210313896 Energy: 2.4010318859920505 Energy: 2.42091975599412 Energy: 2.3410451771540064 Energy: 2.420919755994915 Energy: 2.4010318859920505 Energy: 2.4209197559957105 Energy: 2.414473142192375 Energy: 2.3985542226829777 Energy: 0.05421987210371135 Energy: 2.398554222680591 Energy: 2.414473142192375 Energy: 2.3985542226829777 Energy: 0.9739858018725791 Energy: 2.399022258791507 Energy: 0.05375135446516892 Energy: 2.3990222587923027 Energy: 0.9739860020264659 Energy: 2.3990222587923027 Energy: 2.4152087989629054 Energy: 2.5079654601795225 Energy: 2.341243687885543 Energy: 2.5079558571180898 Energy: 2.4152087989629054 Energy: 2.5079653057858184 Energy: 0.9653415441988983 Energy: 2.3991052607545726 Energy: 0.05343747258758772 Energy: 2.3991052607529815 Energy: 0.965346479453097 Energy: 2.3991052607545726 Energy: 2.414346515392238 Energy: 2.399291380563795 Energy: 0.05479210750213763 Energy: 2.3992913805661815 Energy: 2.414346515392238 Energy: 2.399291380565386 Energy: 2.41145439915425 Energy: 2.4238974481695132 Energy: 2.3410388087585834 Energy: 2.4238974481695132 Energy: 2.4114543991534547 Energy: 2.4238974481695132 Energy: 2.4114044880334826 Energy: 2.320479217684463 Energy: 2.255752775175642 Energy: 2.3204792176836677 Energy: 2.411404488032687 Energy: 2.3204792176836677 Energy: 1.9917767488201017 Energy: 2.4390505455897484 Energy: 2.3404627593678846 Energy: 2.439050545590544 Energy: 1.9917767488201017 Energy: 2.439050545590544 Energy: 1.9962692079248443 Energy: 2.340561006165189 Energy: 2.3398342724175465 Energy: 2.340561006165189 Energy: 1.9962692079264355 Energy: 2.340561006169963 Energy: 2.409800126020639 Energy: 2.3207064747333237 Energy: 2.2984918297903887 Energy: 2.320706474732529 Energy: 2.4098001260214343 Energy: 2.320706474732529 Energy: 2.406061669106903 Energy: 2.3663277329729953 Energy: 2.3380703929369475 Energy: 2.3663277329729953 Energy: 2.406061669106903 Energy: 2.3663277329729953 Energy: 2.4022968438235903 Energy: 2.3985535354627876 Energy: -0.19925951936507746 Energy: 2.398553535463583 Energy: 2.4022968438235903 Energy: 2.3985535354627876 Energy: 2.403637860138185 Energy: 2.3980117214949455 Energy: 2.4011708001159877 Energy: 2.398011721493354 Energy: 2.4036378601389807 Energy: 2.398011721493354 Energy: 2.4027238920675607 Energy: 3.034158567781513 Energy: 2.4081427575242755 Energy: 3.0341585677807177 Energy: 2.4027238920659695 Energy: 3.034158567779126 minimum gb energy = -0.20079839662685817 eV minimum distance = 2.52581627301671 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 2.3991896609429566 Energy: 2.4479872921759025 Energy: 2.408018541311863 Energy: 2.4479872921759025 Energy: 2.399189660943656 Energy: 2.4479872921766024 Energy: 2.3980586575287473 Energy: 2.3989795946482557 Energy: 2.4188758081605704 Energy: 2.3989795946496546 Energy: 2.3980586575301457 Energy: 2.398979594648955 Energy: 2.4136419557671385 Energy: 2.4157879925871213 Energy: 2.422424758178848 Energy: 2.415787992589219 Energy: 2.413641955769936 Energy: 2.415787992592716 Energy: 2.379724054368751 Energy: 2.6090397712562696 Energy: 2.388708463751112 Energy: 2.6090397712562696 Energy: 2.379724054368751 Energy: 2.6090397712597664 Energy: 2.4192081357538138 Energy: 2.451690278389443 Energy: 2.3926930279017897 Energy: 2.4516902783901426 Energy: 2.419208135754513 Energy: 2.451690278390842 Energy: 2.411993917355155 Energy: 2.7821419459654018 Energy: 2.424673787566678 Energy: 2.7821419459654018 Energy: 2.4119939173544553 Energy: 2.7821419459661008 Energy: 2.39243174148496 Energy: 2.8422622802636868 Energy: 2.4197624606156545 Energy: 2.8422622802636868 Energy: 2.392431741487058 Energy: 2.8422622802629873 Energy: 2.3991285132550924 Energy: 2.647776805246829 Energy: 2.416833888514132 Energy: 2.6477768052475286 Energy: 2.399128513256491 Energy: 2.647776805246829 Energy: 2.4204618871410712 Energy: 2.7824362791078427 Energy: 2.4173134205656908 Energy: 2.7824362791078427 Energy: 2.4204618871417702 Energy: 2.7824362791078427 Energy: 2.373561097866022 Energy: 2.6304292740404964 Energy: 2.4214700493858095 Energy: 2.6304292740404964 Energy: 2.373561097873715 Energy: 2.630429274039797 Energy: 2.4281171331643248 Energy: 2.7761918214298618 Energy: 2.4117351839045016 Energy: 2.7761918214298618 Energy: 2.4281171331643248 Energy: 2.7761918214291623 Energy: 2.418796718499133 Energy: 2.405101873303568 Energy: 2.422845519641194 Energy: 2.405101873303568 Energy: 2.418796718499133 Energy: 2.405101873304267 Energy: 2.4229303367025263 Energy: 2.406581673712222 Energy: 2.379524808709245 Energy: 2.406581673711523 Energy: 2.4229303367032258 Energy: 2.406581673712922 Energy: 2.3733921251698935 Energy: 2.4009064620167164 Energy: 2.397004132571868 Energy: 2.400906462017416 Energy: 2.3733921251712924 Energy: 2.4009064620167164 Energy: 2.4084481438300505 Energy: 2.437232979608922 Energy: 2.3965276311514425 Energy: 2.437232979608922 Energy: 2.40844814383075 Energy: 2.437232979608922 Energy: 2.41882527974518 Energy: 2.420305804911975 Energy: 2.411899538561175 Energy: 2.420305804911975 Energy: 2.418825279744481 Energy: 2.420305804911276 Energy: 2.4198366866543144 Energy: 2.4095279619623393 Energy: 2.3831561660513856 Energy: 2.4095279619623393 Energy: 2.4198366866543144 Energy: 2.4095279619616403 Energy: 2.4171028340473697 Energy: 2.8620950190118815 Energy: 2.375966050490481 Energy: 2.8620950190118815 Energy: 2.4171028340480687 Energy: 2.8620950190118815 Energy: 2.3738187342781516 Energy: 2.79459194068962 Energy: 2.4124549617522497 Energy: 2.7945919406889206 Energy: 2.3738187342774526 Energy: 2.79459194068962 Energy: 2.4215768020315216 Energy: 2.841584547843773 Energy: 2.3756146169867662 Energy: 2.841584547843773 Energy: 2.4215768020315216 Energy: 2.8415845478465704 Energy: 2.4449262915771226 Energy: 2.443677734406577 Energy: 2.4160921551105496 Energy: 2.4436777344058775 Energy: 2.4449262915778216 Energy: 2.443677734403112 Energy: 2.424171671861378 Energy: 2.782412507185214 Energy: 2.37712194728846 Energy: 2.7824125071873116 Energy: 2.424171671861378 Energy: 2.7824125071866126 Energy: 2.4127587930410455 Energy: 2.784362712356218 Energy: 2.420977397827717 Energy: 2.7843627123569172 Energy: 2.4127587930410455 Energy: 2.7843627123569172 Energy: 2.379457697527146 Energy: 2.6231513746771906 Energy: 2.4373647886933543 Energy: 2.623151374676491 Energy: 2.3794576975264468 Energy: 2.623151374676491 Energy: 2.42026311841494 Energy: 2.4734502584189513 Energy: 2.4086351816572504 Energy: 2.4734502584189513 Energy: 2.4202631184142405 Energy: 2.4734502584189513 Energy: 2.379057954854545 Energy: 2.418090166002855 Energy: 2.418712735089846 Energy: 2.418090166002156 Energy: 2.379057954854545 Energy: 2.418090166002855 Energy: 2.39650792902471 Energy: 2.3845103857423395 Energy: 2.4202485634435953 Energy: 2.3845103857423395 Energy: 2.3965079290226123 Energy: 2.3845103857423395 Energy: 2.399178191700919 Energy: 2.41839693200634 Energy: 2.422102443695239 Energy: 2.4183969320070395 Energy: 2.3991781917002197 Energy: 2.4183969320070395 Energy: 2.410348638310461 Energy: 2.4179788426047093 Energy: 2.4447674718744468 Energy: 2.4179788425991147 Energy: 2.4103486383111603 Energy: 2.4179788426047093 Energy: 2.3735741505843584 Energy: 2.394041197552827 Energy: 2.4217424960390908 Energy: 2.394041197552827 Energy: 2.3735741505850574 Energy: 2.3940411975535265 Energy: 2.3832918514308794 Energy: 2.410299091984094 Energy: 2.4045839961345394 Energy: 2.410299091993185 Energy: 2.3832918514308794 Energy: 2.410299091983394 Energy: 2.378798676413258 Energy: 2.7956991557657114 Energy: 2.423405746992811 Energy: 2.795699155765012 Energy: 2.3787986764125577 Energy: 2.795699155765012 Energy: 2.4214805017449 Energy: 2.908764684511377 Energy: 2.412139467731231 Energy: 2.9087646845106776 Energy: 2.421480501744201 Energy: 2.9087646845106776 minimum gb energy = 2.3733921251698935 eV minimum distance = 2.52787240765733 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.018330049698116236 Energy: 0.026132997367400705 Energy: 1.5495873122706012 Energy: 0.02613299736853056 Energy: 0.018330049698116236 Energy: 0.026132997367981775 Energy: 0.019212690929762556 Energy: 1.1953410553732202 Energy: 0.019212690929762556 Energy: 1.1953410553732202 Energy: 0.019212690929762556 Energy: 1.1953410553732202 Energy: 1.5544869711136546 Energy: 0.026132997367981775 Energy: 0.01833004969756745 Energy: 0.026132997367981775 Energy: 1.549341134639948 Energy: 0.026132997367400705 Energy: 0.019212690929762556 Energy: 1.1953410553732202 Energy: 0.019212690929762556 Energy: 1.1953410553732202 Energy: 0.019212690929762556 Energy: 1.1953410553732202 minimum gb energy = 0.01833004969756745 eV minimum distance = 2.71748507712597 Angstroms sigma value = 1