Model name: model_name=SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001 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=2.653443209826946 cohesive_energy=8.386661348827927 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: 0.030137682065929185 Energy: 0.03131254686093941 Energy: 2.1096096570884075 Energy: 0.0313100786286449 Energy: 0.030137682065929185 Energy: 0.03130985483693867 Energy: 0.03131120466477976 Energy: 10.386181067936048 Energy: 0.031311622181570194 Energy: 10.386181067925248 Energy: 0.031313759076109615 Energy: 10.38618106793094 Energy: 2.109609657086144 Energy: 0.031313768350815445 Energy: 0.030137682065929185 Energy: 0.03131214427540155 Energy: 2.109609657087243 Energy: 0.03131014504482094 Energy: 0.031310737472177746 Energy: 10.386181067925829 Energy: 0.03131145238078122 Energy: 10.386181067929774 Energy: 0.03131040993341533 Energy: 10.386181067924083 Energy: 0.030137682065929185 Energy: 0.03131208452271001 Energy: 2.1096096570878253 Energy: 0.03131182365442893 Energy: 0.030137682065929185 Energy: 0.03131098056702758 Energy: 0.031310728179815416 Energy: 10.386181067931522 Energy: 0.03131254777293307 Energy: 10.386181067926348 Energy: 0.03131019582827052 Energy: 10.386181067925248 minimum gb energy = 0.030137682065929185 eV minimum distance = 2.16422266496305 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 4.790120840565139 Energy: 5.388165582783497 Energy: 4.898210798939957 Energy: 5.388165582783497 Energy: 4.79012084056654 Energy: 5.388165582783497 Energy: 4.7431163122847115 Energy: 5.431322373278207 Energy: 4.7465009382276 Energy: 5.431322373281008 Energy: 4.743116312286112 Energy: 5.431322373279607 Energy: 4.6846209499469325 Energy: 5.4306706716982 Energy: 4.81046533473134 Energy: 5.4306706716982 Energy: 4.684620949951135 Energy: 5.4306706716982 Energy: 4.953119965507868 Energy: 5.069955309309638 Energy: 4.537318709047686 Energy: 5.069955309309638 Energy: 4.953119965510671 Energy: 5.069955309309638 Energy: 4.952450944049513 Energy: 5.388323058007445 Energy: 4.969812437037468 Energy: 5.388323058008846 Energy: 4.952450944049513 Energy: 5.388323058007445 Energy: 4.795308364109552 Energy: 5.429734797845024 Energy: 4.669990536269393 Energy: 5.429734797845024 Energy: 4.795308364112354 Energy: 5.429734797845024 Energy: 4.79482442823848 Energy: 5.430239346174093 Energy: 4.665385188601129 Energy: 5.430239346176895 Energy: 4.79482442823848 Energy: 5.430239346175494 Energy: 5.019069540741448 Energy: 5.388314798558637 Energy: 4.532254890131534 Energy: 5.3883147985614395 Energy: 5.019069540737243 Energy: 5.388314798560039 Energy: 4.952020463985057 Energy: 5.068302925611343 Energy: 4.532492515626478 Energy: 5.068302925609942 Energy: 4.9520204639891325 Energy: 5.068302925608541 Energy: 4.798426387510668 Energy: 5.429123022788361 Energy: 4.669271783786263 Energy: 5.4291230227869605 Energy: 4.798426387513471 Energy: 5.4291230227869605 Energy: 4.722504626347633 Energy: 5.226089296671293 Energy: 4.7482680067324265 Energy: 5.226089296671293 Energy: 4.722504626350435 Energy: 5.226089296671293 Energy: 4.536552058343457 Energy: 5.3885184272004825 Energy: 4.536591010238409 Energy: 5.388518427203285 Energy: 4.536552058337851 Energy: 5.388518427204686 Energy: 4.748232833245407 Energy: 5.2260892966726935 Energy: 4.6619266716114 Energy: 5.226089296669893 Energy: 4.748232833244006 Energy: 5.2260892966726935 Energy: 4.669833654337101 Energy: 5.429153598394553 Energy: 4.798420405320854 Energy: 5.429153598394553 Energy: 4.6698336543357 Energy: 5.429153598394553 Energy: 4.532517884035304 Energy: 5.0682221884841425 Energy: 4.951969036987694 Energy: 5.068222188485543 Energy: 4.532517884035304 Energy: 5.068222188482742 Energy: 4.532388512806708 Energy: 5.388386872447098 Energy: 5.019080382334373 Energy: 5.388386872445697 Energy: 4.532388512810911 Energy: 5.388386872445697 Energy: 4.665239385466691 Energy: 5.43017608687589 Energy: 4.7947586624174 Energy: 5.43017608687589 Energy: 4.665239385469493 Energy: 5.430176086874489 Energy: 4.67001343644541 Energy: 5.429744702763733 Energy: 4.795385653707704 Energy: 5.429744702763733 Energy: 4.67001343644541 Energy: 5.429744702762331 Energy: 4.721212583775936 Energy: 5.388253937758461 Energy: 4.952376723940437 Energy: 5.388253937757059 Energy: 4.721212583778738 Energy: 5.388253937757059 Energy: 4.5372224379574355 Energy: 5.069972515807329 Energy: 4.953195047122492 Energy: 5.069972515805928 Energy: 4.5372224379574355 Energy: 5.069972515807329 Energy: 4.811275438589515 Energy: 5.43066762923922 Energy: 4.684597769677749 Energy: 5.43066762923922 Energy: 4.8112754385881145 Energy: 5.430667629240621 Energy: 4.746047315991052 Energy: 5.431397112501768 Energy: 4.7433640523101905 Energy: 5.431397112500367 Energy: 4.746047315993854 Energy: 5.431397112501768 Energy: 4.976667376593482 Energy: 5.388165582784898 Energy: 4.7901208405679405 Energy: 5.3881655827863 Energy: 4.976667376596157 Energy: 5.388165582784898 minimum gb energy = 4.532254890131534 eV minimum distance = 2.11273490875287 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 4.930536126733273 Energy: 5.539430896462793 Energy: 5.066023396232826 Energy: 5.539430896462793 Energy: 4.9305361267388506 Energy: 5.5394308964619965 Energy: 4.872576083357422 Energy: 5.564301924915529 Energy: 5.0046369328248 Energy: 5.564301924915529 Energy: 4.872576083357422 Energy: 5.564301924916326 Energy: 4.8195188027838585 Energy: 5.5385783670901505 Energy: 5.355485045325183 Energy: 5.5385783670901505 Energy: 4.819518802785453 Energy: 5.5385783670901505 Energy: 5.005242479120996 Energy: 5.374460903984553 Energy: 5.00461732993851 Energy: 5.374460903984553 Energy: 5.005242479117808 Energy: 5.3744609039837545 Energy: 5.004534623648941 Energy: 5.5254822636799865 Energy: 5.444115248388854 Energy: 5.525482263679189 Energy: 5.004534623644159 Energy: 5.525482263679189 Energy: 4.9353402029870646 Energy: 5.5242142783839325 Energy: 4.903312161818068 Energy: 5.52421427838473 Energy: 4.935340202986269 Energy: 5.5242142783839325 Energy: 4.935722452245502 Energy: 5.523533234388432 Energy: 5.301379391832777 Energy: 5.523533234390823 Energy: 4.935722452252674 Energy: 5.523533234390823 Energy: 4.900714983673932 Energy: 5.524496642841622 Energy: 4.943702594681635 Energy: 5.524496642843217 Energy: 4.9007149836715405 Energy: 5.524496642842419 Energy: 5.007371760468697 Energy: 5.373759692325011 Energy: 4.935621461859368 Energy: 5.373759692326605 Energy: 5.007371760473479 Energy: 5.373759692326605 Energy: 4.950142080389149 Energy: 5.538131942684014 Energy: 5.0064477937373155 Energy: 5.538131942684811 Energy: 4.9501420803883525 Energy: 5.538131942684811 Energy: 4.873559618725591 Energy: 5.651864053568286 Energy: 5.004988992328127 Energy: 5.651864053569083 Energy: 4.8735596187335615 Energy: 5.651864053570677 Energy: 5.347013141566706 Energy: 5.524724276245088 Energy: 5.129904066825323 Energy: 5.524724276245088 Energy: 5.347013141566706 Energy: 5.524724276245886 Energy: 5.494307153417062 Energy: 5.34225042084892 Energy: 4.872785634397505 Energy: 5.342250420849717 Energy: 5.494307153417062 Energy: 5.342250420849717 Energy: 5.173157876223063 Energy: 5.536330608996224 Energy: 4.928488816506975 Energy: 5.536330608996224 Energy: 5.17315787622386 Energy: 5.536330608996224 Energy: 5.347543343562417 Energy: 5.524706920018658 Energy: 5.219447644839061 Energy: 5.524706920022643 Energy: 5.347543343564808 Energy: 5.524706920021845 Energy: 5.348441168994615 Energy: 5.525136779692496 Energy: 5.131642876107116 Energy: 5.525136779691698 Energy: 5.348441168998599 Energy: 5.525136779691698 Energy: 5.439192665748603 Energy: 5.524321298531211 Energy: 5.007014900144793 Energy: 5.524321298531211 Energy: 5.439192665748603 Energy: 5.524321298530413 Energy: 5.44110172342269 Energy: 5.564407484965311 Energy: 5.180581614832386 Energy: 5.564407484965311 Energy: 5.441101723418706 Energy: 5.564407484966108 Energy: 4.946457808322747 Energy: 5.524919583166923 Energy: 4.94400258945282 Energy: 5.524919583166923 Energy: 4.9464578083219495 Energy: 5.524919583166923 Energy: 4.936398323477811 Energy: 5.37299625479454 Energy: 4.935812199133423 Energy: 5.372996254796134 Energy: 4.936398323477811 Energy: 5.372996254795336 Energy: 5.307336722733706 Energy: 5.543129863807118 Energy: 4.900766867872387 Energy: 5.543129863807916 Energy: 5.307336722733706 Energy: 5.543129863807916 Energy: 4.874609148978814 Energy: 5.654361776213774 Energy: 5.00436838601053 Energy: 5.654361776217758 Energy: 4.874609148988306 Energy: 5.654361776216164 Energy: 5.019761374366382 Energy: 5.524984273875337 Energy: 5.443371817543083 Energy: 5.52498427387454 Energy: 5.019761374364789 Energy: 5.524984273876134 Energy: 5.439692616450213 Energy: 5.5646716604538256 Energy: 5.005036080027731 Energy: 5.564671660454622 Energy: 5.439692616451009 Energy: 5.564671660453028 Energy: 5.126004432008307 Energy: 5.524407344800511 Energy: 5.355113430711542 Energy: 5.524407344800511 Energy: 5.126004432005119 Energy: 5.524407344801308 Energy: 4.919125228932849 Energy: 5.533973053323271 Energy: 5.067140885527797 Energy: 5.533973053323271 Energy: 4.91912522892966 Energy: 5.533973053323271 Energy: 4.919122628296222 Energy: 5.534011878004004 Energy: 5.06714088551106 Energy: 5.534011878003208 Energy: 4.919122628293831 Energy: 5.534011878004004 Energy: 5.125952238750782 Energy: 5.524356784476494 Energy: 5.355098816081307 Energy: 5.524356784476494 Energy: 5.125952238745203 Energy: 5.524356784475696 Energy: 5.440146630518537 Energy: 5.564656775549206 Energy: 5.0047120524728985 Energy: 5.564656775550799 Energy: 5.440146630516944 Energy: 5.564656775550002 Energy: 5.019756333067931 Energy: 5.524968181673921 Energy: 5.443406035126555 Energy: 5.524968181677108 Energy: 5.019756333065539 Energy: 5.524968181675515 Energy: 4.874511484474021 Energy: 5.6543617762145715 Energy: 5.004377704896605 Energy: 5.654361776212977 Energy: 4.87451148447163 Energy: 5.6543617762145715 Energy: 5.307270050943806 Energy: 5.543080417250496 Energy: 4.900797088830724 Energy: 5.5430804172497 Energy: 5.307270050943806 Energy: 5.543080417250496 Energy: 4.936395673334198 Energy: 5.372591665315499 Energy: 4.935737115240383 Energy: 5.372591665315499 Energy: 4.936395673331807 Energy: 5.372591665313904 Energy: 4.946410286173442 Energy: 5.524948416083657 Energy: 4.944200282332339 Energy: 5.524948416084454 Energy: 4.9464102861758334 Energy: 5.524948416084454 Energy: 5.4412503735376925 Energy: 5.564372626988951 Energy: 5.125888531564599 Energy: 5.564372626987357 Energy: 5.441250373536099 Energy: 5.56437262698656 Energy: 5.439350573823267 Energy: 5.524361059222645 Energy: 5.007023031104534 Energy: 5.524361059222645 Energy: 5.43935057382247 Energy: 5.524361059223441 Energy: 5.348391916343598 Energy: 5.525103732883501 Energy: 5.131705232400137 Energy: 5.525103732881111 Energy: 5.34839191634838 Energy: 5.525103732881111 Energy: 5.347792358616592 Energy: 5.524775825634955 Energy: 5.219436139979001 Energy: 5.524775825630971 Energy: 5.347792358615795 Energy: 5.524775825631768 Energy: 5.1731715436167605 Energy: 5.536282796086103 Energy: 4.929135907672011 Energy: 5.536282796087698 Energy: 5.173171543615166 Energy: 5.536282796088495 Energy: 5.494394969708723 Energy: 5.342242162727691 Energy: 4.872965499915342 Energy: 5.342242162724503 Energy: 5.494394969709519 Energy: 5.3422421627253 Energy: 5.3469968702846185 Energy: 5.524688417613841 Energy: 5.129913897390238 Energy: 5.524688417614638 Energy: 5.346996870283822 Energy: 5.524688417615435 minimum gb energy = 4.8195188027838585 eV minimum distance = 2.09769794953759 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 5.872332404581344 Energy: 5.538619021275057 Energy: 5.497827931388144 Energy: 5.538619021275057 Energy: 5.872332404581344 Energy: 5.538619021275057 Energy: 5.128634798927573 Energy: 5.499882222780671 Energy: 6.308509581488637 Energy: 5.499882222780671 Energy: 5.128634798925726 Energy: 5.499882222778824 Energy: 5.014255456003009 Energy: 5.5381041670439215 Energy: 6.2282490091066025 Energy: 5.538104167045769 Energy: 5.014255456003009 Energy: 5.538104167047614 Energy: 4.956179662781352 Energy: 5.505292672579818 Energy: 6.2228780404763056 Energy: 5.505292672583511 Energy: 4.956179662783199 Energy: 5.505292672583511 Energy: 4.954528237145992 Energy: 5.49949474456879 Energy: 5.825809916759677 Energy: 5.4994947445669435 Energy: 4.954529936204529 Energy: 5.499494744565096 Energy: 5.88023056288172 Energy: 5.502746144393429 Energy: 6.260827154382675 Energy: 5.502746144391582 Energy: 5.88023056288172 Energy: 5.502746144391582 Energy: 5.902675276335247 Energy: 5.498927124894528 Energy: 5.403833549910667 Energy: 5.498927124892681 Energy: 5.9026752763334 Energy: 5.498927124894528 Energy: 4.956958418391651 Energy: 5.502070089406352 Energy: 4.757494921239926 Energy: 5.502070089406352 Energy: 4.956958418386112 Energy: 5.502070089406352 Energy: 5.908206853247213 Energy: 5.780300140259975 Energy: 4.769317540907296 Energy: 5.780300140259975 Energy: 5.90820685324906 Energy: 5.780300140259975 Energy: 4.954920390989138 Energy: 5.51962925414244 Energy: 4.757921852458393 Energy: 5.5196292541369 Energy: 4.954920390992831 Energy: 5.5196292541369 Energy: 5.911282798320669 Energy: 5.501678815675448 Energy: 6.222229337483255 Energy: 5.501678815673602 Energy: 5.911282798320669 Energy: 5.501678815673602 Energy: 5.870196728584488 Energy: 5.520497714535103 Energy: 6.260801312384651 Energy: 5.5204977145369485 Energy: 5.870196728584488 Energy: 5.5204977145369485 Energy: 5.426929844157292 Energy: 5.504253100271626 Energy: 6.223844702636466 Energy: 5.504253100273472 Energy: 5.426929844153598 Energy: 5.504253100273472 Energy: 4.955011804468479 Energy: 5.522811609160427 Energy: 6.2350051676317415 Energy: 5.5228116091622725 Energy: 4.9550118044481675 Energy: 5.5228116091622725 Energy: 4.9591918621400986 Energy: 5.515105296366816 Energy: 6.223678426381315 Energy: 5.515105296364969 Energy: 4.959191862138253 Energy: 5.515105296364969 Energy: 5.0016788079810945 Energy: 5.499580149198251 Energy: 6.224295470758193 Energy: 5.499580149194557 Energy: 5.001678807984787 Energy: 5.4995801491964045 Energy: 5.869193374899369 Energy: 5.514736442535204 Energy: 6.255931171185783 Energy: 5.514736442533358 Energy: 5.869193374899369 Energy: 5.514736442533358 Energy: 5.9134085535029595 Energy: 5.498886723821216 Energy: 6.227085166813845 Energy: 5.498886723821216 Energy: 5.913408553504806 Energy: 5.498886723821216 minimum gb energy = 4.757494921239926 eV minimum distance = 2.09393450993509 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 6.133872908057083 Energy: 5.69770916069915 Energy: 5.524183034104222 Energy: 5.697709160700245 Energy: 6.133872908058178 Energy: 5.697709160700245 Energy: 5.2031117566834775 Energy: 5.703686837943924 Energy: 5.11160502173328 Energy: 5.70368683794502 Energy: 5.2031117566845735 Energy: 5.703686837943924 Energy: 5.182010244317429 Energy: 5.722841164918652 Energy: 5.114581538122091 Energy: 5.722841164918652 Energy: 5.1820102443185245 Energy: 5.722841164918652 Energy: 5.3114066921968295 Energy: 5.694652004975696 Energy: 5.112982307725692 Energy: 5.694652004975696 Energy: 5.3114066921979255 Energy: 5.694652004975696 Energy: 5.307930341994349 Energy: 5.699533597190399 Energy: 5.1117479953026645 Energy: 5.699533597189303 Energy: 5.3079303419439645 Energy: 5.699533597190399 Energy: 5.111699065356202 Energy: 5.699517809174073 Energy: 5.307913952008734 Energy: 5.699517809172978 Energy: 5.111714778578712 Energy: 5.699517809172978 Energy: 5.112890402593892 Energy: 5.694633677182771 Energy: 5.311402156736487 Energy: 5.694633677182771 Energy: 5.112890402577461 Energy: 5.694633677183867 Energy: 5.114466601290743 Energy: 5.722844759637272 Energy: 5.1819799307993035 Energy: 5.722844759638366 Energy: 5.114450423995985 Energy: 5.722844759637272 Energy: 5.111737802889202 Energy: 5.703709641452981 Energy: 5.11250007197027 Energy: 5.703709641452981 Energy: 5.111737801957481 Energy: 5.703709641452981 Energy: 5.457744217053605 Energy: 5.69770916069915 Energy: 6.133872908057083 Energy: 5.697709160700245 Energy: 5.457744217052509 Energy: 5.69770916069915 Energy: 5.1116050224635625 Energy: 5.7036868379461145 Energy: 5.065232512167841 Energy: 5.7036868379461145 Energy: 5.111605029500075 Energy: 5.703686837943924 Energy: 5.114614727922926 Energy: 5.722841164919747 Energy: 5.182010244317429 Energy: 5.722841164918652 Energy: 5.114549473731462 Energy: 5.722841164918652 Energy: 5.1129823076676395 Energy: 5.694652004974602 Energy: 5.3114066921968295 Energy: 5.694652004973506 Energy: 5.1129823076807845 Energy: 5.694652004974602 Energy: 5.111749530089206 Energy: 5.699533597190399 Energy: 5.307930341984491 Energy: 5.699533597190399 Energy: 5.111758739025128 Energy: 5.699533597190399 Energy: 5.307913951755815 Energy: 5.6995178091707865 Energy: 5.20655961734377 Energy: 5.699517809171882 Energy: 5.307913951872964 Energy: 5.699517809171882 Energy: 5.385529326849998 Energy: 5.694633677182771 Energy: 5.112890402606986 Energy: 5.694633677182771 Energy: 5.385529326849998 Energy: 5.694633677183867 Energy: 5.1819799307993035 Energy: 5.722844759639462 Energy: 5.114457378542336 Energy: 5.722844759637272 Energy: 5.181979930801494 Energy: 5.722844759637272 Energy: 5.112500071971366 Energy: 5.703709641451886 Energy: 5.111737803708107 Energy: 5.703709641451886 Energy: 5.112500071971366 Energy: 5.703709641452981 Energy: 6.133872908057083 Energy: 5.697709160700245 Energy: 5.457744217052509 Energy: 5.697709160698055 Energy: 6.133872908057083 Energy: 5.69770916069915 Energy: 5.065232512170033 Energy: 5.70368683794502 Energy: 5.111605022504039 Energy: 5.7036868379461145 Energy: 5.065232512170033 Energy: 5.703686837943924 Energy: 5.18201024431962 Energy: 5.722841164919747 Energy: 5.114594352926487 Energy: 5.722841164919747 Energy: 5.18201024431962 Energy: 5.722841164920842 Energy: 5.311406692200116 Energy: 5.694652004975696 Energy: 5.11298230768626 Energy: 5.694652004974602 Energy: 5.3114066921968295 Energy: 5.694652004974602 Energy: 5.3079303421071184 Energy: 5.699533597189303 Energy: 5.111745090770998 Energy: 5.699533597190399 Energy: 5.307930341980111 Energy: 5.699533597190399 Energy: 5.139854012625803 Energy: 5.699517809172978 Energy: 5.307913951818247 Energy: 5.699517809172978 Energy: 5.13977145234861 Energy: 5.699517809172978 Energy: 5.1128904027515185 Energy: 5.694633677182771 Energy: 5.198163122089698 Energy: 5.694633677181676 Energy: 5.1128904026332735 Energy: 5.694633677182771 Energy: 5.114473816365838 Energy: 5.722844759638366 Energy: 5.181979930803684 Energy: 5.722844759637272 Energy: 5.114461403491768 Energy: 5.722844759638366 Energy: 5.1117378018797615 Energy: 5.703709641451886 Energy: 5.11250007197246 Energy: 5.703709641451886 Energy: 5.111737801793231 Energy: 5.703709641451886 Energy: 5.4577442170557955 Energy: 5.69770916069915 Energy: 6.133872908055989 Energy: 5.697709160700245 Energy: 5.457744217053605 Energy: 5.69770916069915 Energy: 5.1116050214585025 Energy: 5.7036868379461145 Energy: 5.065232512167841 Energy: 5.7036868379472105 Energy: 5.111605022794201 Energy: 5.7036868379472105 Energy: 5.114597809969221 Energy: 5.722841164918652 Energy: 5.182010244322906 Energy: 5.722841164919747 Energy: 5.114579056263551 Energy: 5.722841164919747 minimum gb energy = 5.065232512167841 eV minimum distance = 2.08759142411512 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 5.036009636154091 Energy: 5.484222844962427 Energy: 6.015891433699268 Energy: 5.484222844962427 Energy: 5.036009636154091 Energy: 5.484222844962427 Energy: 4.965499666197225 Energy: 5.458808568772481 Energy: 5.124075161811034 Energy: 5.458808568769798 Energy: 4.965499666197225 Energy: 5.458808568769798 Energy: 5.20930871197905 Energy: 5.85419476909939 Energy: 5.126423015466213 Energy: 5.85419476909939 Energy: 5.20930871197905 Energy: 5.85419476909939 Energy: 4.947184129235183 Energy: 5.487006612140983 Energy: 5.123447357999413 Energy: 5.487006612140983 Energy: 4.947184129235183 Energy: 5.487006612138301 Energy: 5.1242029218184095 Energy: 5.485056170048803 Energy: 5.122926732563785 Energy: 5.485056170048803 Energy: 5.1242029218184095 Energy: 5.485056170051486 Energy: 5.12152894559564 Energy: 5.85016488773951 Energy: 5.12343762160578 Energy: 5.850164887742193 Energy: 5.12152894559564 Energy: 5.850164887744875 Energy: 5.1229006140139255 Energy: 5.453490504524877 Energy: 5.122860677838106 Energy: 5.453490504524877 Energy: 5.1229006140139255 Energy: 5.453490504524877 Energy: 4.947888888279368 Energy: 5.48625370207006 Energy: 5.120891296313794 Energy: 5.486253702072743 Energy: 4.947888888279368 Energy: 5.486253702072743 Energy: 5.1260690479303515 Energy: 5.485245619091667 Energy: 5.121564827019223 Energy: 5.485245619091667 Energy: 5.126069047933034 Energy: 5.485245619091667 Energy: 5.120646236197821 Energy: 5.851235459952529 Energy: 5.12068474603185 Energy: 5.851235459947163 Energy: 5.120646236197821 Energy: 5.851235459949847 Energy: 5.121875948216748 Energy: 5.485228772269001 Energy: 5.126077050557424 Energy: 5.485228772271684 Energy: 5.121875948216748 Energy: 5.485228772269001 Energy: 5.120931893069237 Energy: 5.486310353869823 Energy: 4.948394615242788 Energy: 5.486310353872506 Energy: 5.120931893069237 Energy: 5.486310353869823 minimum gb energy = 4.947184129235183 eV minimum distance = 2.11147965722323 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 5.258168356574846 Energy: 5.999750984112359 Energy: 5.298115698881336 Energy: 5.999750984111604 Energy: 5.258168356576353 Energy: 5.999750984111604 Energy: 5.035134437533884 Energy: 6.07499717103295 Energy: 5.0733724517156364 Energy: 6.074997171033703 Energy: 5.035134437544437 Energy: 6.07499717103295 Energy: 5.083101416582587 Energy: 5.995799748835466 Energy: 5.0757269174611865 Energy: 5.995799748835466 Energy: 5.083101416578818 Energy: 5.9957997488362205 Energy: 5.227755722379624 Energy: 5.988880678643147 Energy: 5.047619666758454 Energy: 5.988880678642394 Energy: 5.227755722379624 Energy: 5.988880678642394 Energy: 5.3075088928661565 Energy: 5.98899491925997 Energy: 5.042621118890576 Energy: 5.988994919262231 Energy: 5.307508892863895 Energy: 5.988994919261477 Energy: 5.0955136524959 Energy: 5.077412476434749 Energy: 5.021022305240836 Energy: 5.077412476431733 Energy: 5.0955136524974085 Energy: 5.077412476433241 Energy: 5.173899906031633 Energy: 5.981441946507473 Energy: 5.020933232232176 Energy: 5.981441946511242 Energy: 5.173899906027864 Energy: 5.981441946511242 Energy: 5.021467017458635 Energy: 5.982583777389887 Energy: 5.175748051848167 Energy: 5.982583777389133 Energy: 5.021467017460141 Energy: 5.982583777388379 Energy: 5.058753365375367 Energy: 5.912871045753199 Energy: 5.0709197851129995 Energy: 5.9128710457539535 Energy: 5.058753441757346 Energy: 5.9128710457539535 Energy: 5.026020161780403 Energy: 5.989362329862895 Energy: 5.199377640725469 Energy: 5.989362329859881 Energy: 5.026020161783419 Energy: 5.989362329860634 Energy: 5.071333553554571 Energy: 6.012143106622425 Energy: 5.075114683377327 Energy: 6.0121431066216715 Energy: 5.071333553552309 Energy: 6.012143106620917 Energy: 5.072988440917677 Energy: 5.981382103394161 Energy: 5.022979251646471 Energy: 5.981382103397929 Energy: 5.07298844091843 Energy: 5.981382103394914 Energy: 5.128561609824338 Energy: 5.072232439284321 Energy: 5.044586945257759 Energy: 5.072232439290352 Energy: 5.128561609819815 Energy: 5.072232439288091 Energy: 5.317361899734553 Energy: 5.9864213701247655 Energy: 5.043872274458619 Energy: 5.9864213701247655 Energy: 5.317361899733045 Energy: 5.9864213701262745 Energy: 5.069703511968595 Energy: 5.979754059827472 Energy: 5.0750567294865 Energy: 5.979754059827472 Energy: 5.069703511968595 Energy: 5.979754059827472 Energy: 5.177787175306882 Energy: 6.008921993115844 Energy: 5.022116445379525 Energy: 6.008921993116598 Energy: 5.17778717530839 Energy: 6.008921993118106 Energy: 5.025189368775959 Energy: 5.983730454369352 Energy: 5.198509161344745 Energy: 5.98373045437086 Energy: 5.025189368774452 Energy: 5.983730454371613 Energy: 5.04540220895527 Energy: 5.825236027803976 Energy: 5.071675858803818 Energy: 5.825236027802468 Energy: 5.0454022089582855 Energy: 5.825236027803222 Energy: 5.020880653408936 Energy: 5.984969372078246 Energy: 5.094437238018815 Energy: 5.984969372078999 Energy: 5.020880653408936 Energy: 5.984969372077492 Energy: 5.099916564382255 Energy: 6.189284939303762 Energy: 5.09946637455493 Energy: 6.1892849393014995 Energy: 5.099916564379994 Energy: 6.1892849393022535 Energy: 5.094841618449734 Energy: 5.985054647767147 Energy: 5.020944886671709 Energy: 5.985054647768655 Energy: 5.094841618449734 Energy: 5.9850546477694095 Energy: 5.071734687779832 Energy: 5.824957954326309 Energy: 5.0454951667221675 Energy: 5.824957954327817 Energy: 5.071734687779832 Energy: 5.824957954328571 Energy: 5.19848525216714 Energy: 5.984051008701373 Energy: 5.025479005451075 Energy: 5.984051008699112 Energy: 5.198485252164878 Energy: 5.984051008699112 Energy: 5.022133073909732 Energy: 6.008870718316995 Energy: 5.17777468108082 Energy: 6.008870718315487 Energy: 5.022133073914255 Energy: 6.008870718315487 Energy: 5.0751550978033775 Energy: 5.979816818341739 Energy: 5.069689089572187 Energy: 5.979816818342493 Energy: 5.075155097800363 Energy: 5.979816818344001 Energy: 5.043779694190543 Energy: 5.9863996024560855 Energy: 5.317340569807004 Energy: 5.9863996024560855 Energy: 5.043779694196573 Energy: 5.986399602456839 Energy: 5.044596324816955 Energy: 5.072763300427005 Energy: 5.128559702919045 Energy: 5.072763300427758 Energy: 5.044596324818463 Energy: 5.072763300427758 Energy: 5.022633726280598 Energy: 5.981328472217345 Energy: 5.073003471235253 Energy: 5.98132847222036 Energy: 5.022633726283614 Energy: 5.98132847222036 Energy: 5.074585400592752 Energy: 6.0122452719554635 Energy: 5.1720785875676345 Energy: 6.012245271958478 Energy: 5.074585400591244 Energy: 6.012245271956971 Energy: 5.199365323338303 Energy: 5.989381775896129 Energy: 5.025959140589677 Energy: 5.989381775896129 Energy: 5.199365323340565 Energy: 5.989381775895375 Energy: 5.061163399109435 Energy: 5.912871045744907 Energy: 5.058430220060925 Energy: 5.9128710457456615 Energy: 5.06116339910868 Energy: 5.9128710457464155 Energy: 5.175809205649252 Energy: 5.982632901607385 Energy: 5.021384455718188 Energy: 5.982632901606631 Energy: 5.175809205646992 Energy: 5.982632901608138 Energy: 5.020865388677563 Energy: 5.981487650769779 Energy: 5.600386388064417 Energy: 5.981487650772794 Energy: 5.020865388677563 Energy: 5.98148765077204 Energy: 5.0209686904764474 Energy: 5.0701554970808855 Energy: 5.095499428561317 Energy: 5.070155497083146 Energy: 5.020968690465139 Energy: 5.070155497082393 Energy: 5.0275291111827425 Energy: 5.98893098805814 Energy: 5.307460926928156 Energy: 5.988930988058893 Energy: 5.027529111185757 Energy: 5.988930988058893 Energy: 5.047654786155704 Energy: 5.988969264677304 Energy: 5.227771128263207 Energy: 5.988969264675042 Energy: 5.047654786156457 Energy: 5.988969264675042 Energy: 5.0756793130006255 Energy: 5.995780461097765 Energy: 5.083134966116154 Energy: 5.995780461097765 Energy: 5.075679313001379 Energy: 5.995780461097765 Energy: 5.073392416237069 Energy: 6.07499717103295 Energy: 5.035376169905061 Energy: 6.074997171032195 Energy: 5.073392416238576 Energy: 6.074997171033703 Energy: 5.523383884000485 Energy: 5.9997509841138665 Energy: 5.258168356574092 Energy: 5.999750984111604 Energy: 5.523383883998979 Energy: 5.9997509841131125 Energy: 5.0733724517163905 Energy: 5.9580912904803816 Energy: 5.035134437541423 Energy: 5.958091290481135 Energy: 5.073372451714129 Energy: 5.958091290482643 Energy: 5.075726917462694 Energy: 5.995799748833959 Energy: 5.0831014165765565 Energy: 5.995799748835466 Energy: 5.075726917462694 Energy: 5.9957997488362205 Energy: 5.047619666756946 Energy: 5.988880678640132 Energy: 5.227755722374347 Energy: 5.988880678638624 Energy: 5.047619666758454 Energy: 5.988880678638624 Energy: 5.042621118888314 Energy: 5.98899491926374 Energy: 5.307508892863895 Energy: 5.988994919262231 Energy: 5.042621118889822 Energy: 5.988994919262985 minimum gb energy = 5.020865388677563 eV minimum distance = 2.06756911000419 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 4.646926900884377 Energy: 4.648061318387016 Energy: 5.12983972406299 Energy: 4.648061296186096 Energy: 4.64692690088266 Energy: 4.6480612888841755 Energy: 4.680706142760946 Energy: 6.060677154713885 Energy: 4.649147324701918 Energy: 6.060677154715601 Energy: 4.68070614275923 Energy: 6.060677154715601 Energy: 4.649716947456832 Energy: 4.810976351779333 Energy: 4.654727053119615 Energy: 4.810976351782766 Energy: 4.649716947377894 Energy: 4.810976351787836 Energy: 4.800860550911084 Energy: 4.6479617606967425 Energy: 4.65396471783546 Energy: 4.647961760691594 Energy: 4.800860549816716 Energy: 4.6479617606950265 Energy: 4.79819844433943 Energy: 4.508272040807489 Energy: 4.654774801673777 Energy: 4.508272040900077 Energy: 4.798198444540129 Energy: 4.508272040840094 Energy: 4.790332163099158 Energy: 4.648909345354767 Energy: 4.5078179338445 Energy: 4.6489093453599155 Energy: 4.790332163099158 Energy: 4.648909345371927 Energy: 4.790187044107495 Energy: 4.648995749665506 Energy: 4.507811506172265 Energy: 4.648995749646707 Energy: 4.79018704410578 Energy: 4.648995749662074 Energy: 4.798323034514004 Energy: 4.508292054122526 Energy: 4.655805756821001 Energy: 4.508292054122526 Energy: 4.798323034519151 Energy: 4.508292054125958 Energy: 4.800806321272527 Energy: 4.648226335852434 Energy: 4.65394264200434 Energy: 4.648226335852434 Energy: 4.800806321260515 Energy: 4.648226335850718 Energy: 4.6499377621235976 Energy: 4.81059163535726 Energy: 4.654651715691247 Energy: 4.810591635129104 Energy: 4.64993776204302 Energy: 4.810591635250865 Energy: 4.680796952195655 Energy: 6.060677154713885 Energy: 4.649093533782618 Energy: 6.0606771547121685 Energy: 4.680796952193939 Energy: 6.0606771547121685 Energy: 4.6469269008860925 Energy: 4.648061292592624 Energy: 5.129839724061273 Energy: 4.648061295091729 Energy: 4.646926900892956 Energy: 4.648061309318273 Energy: 4.680706142762661 Energy: 6.060677154713885 Energy: 4.752704083710122 Energy: 6.060677154713885 Energy: 4.680706142755797 Energy: 6.060677154715601 Energy: 4.649716947444819 Energy: 4.8109763517759 Energy: 4.654727053119615 Energy: 4.810976351794699 Energy: 4.649716947489359 Energy: 4.810976351791267 Energy: 4.800860549643475 Energy: 4.647961760691594 Energy: 4.65396471783546 Energy: 4.647961760689879 Energy: 4.800860549636609 Energy: 4.6479617606950265 Energy: 4.798198444423517 Energy: 4.508272040804057 Energy: 4.751283256368667 Energy: 4.508272040774885 Energy: 4.798198444447463 Energy: 4.508272040788612 Energy: 4.790332163099158 Energy: 4.648909345366779 Energy: 4.507817933846217 Energy: 4.6489093453616315 Energy: 4.790332163099158 Energy: 4.6489093453599155 Energy: 4.790187044110927 Energy: 4.64899574965872 Energy: 4.507811506173981 Energy: 4.6489957496758025 Energy: 4.79018704410578 Energy: 4.6489957496758025 Energy: 4.79832303448998 Energy: 4.508292054110514 Energy: 4.655805756822717 Energy: 4.508292054124243 Energy: 4.798323034515719 Energy: 4.508292054113947 minimum gb energy = 4.507811506172265 eV minimum distance = 2.14493757840929 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 4.392283611989888 Energy: 4.243643301353621 Energy: 4.5115422828690965 Energy: 4.243643301346079 Energy: 4.392283611991145 Energy: 4.243643301352364 Energy: 4.244816974725186 Energy: 4.548032644488969 Energy: 4.262576898018339 Energy: 4.5480326444914825 Energy: 4.244816974723929 Energy: 4.54803264449274 Energy: 4.378292568480893 Energy: 4.383815436307534 Energy: 4.323679228382875 Energy: 4.383815436307534 Energy: 4.37829256848215 Energy: 4.383815436306277 Energy: 4.419897235818866 Energy: 4.3217014154020434 Energy: 4.2628134796392265 Energy: 4.321701415400787 Energy: 4.419897235816352 Energy: 4.321701415399529 Energy: 4.349504485034164 Energy: 4.244851667781199 Energy: 4.32761911339534 Energy: 4.2448516677786845 Energy: 4.3495044850379365 Energy: 4.244851667784969 Energy: 4.327606376473173 Energy: 5.695199132850012 Energy: 4.282683101155422 Energy: 5.695199132844983 Energy: 4.327606376469402 Energy: 5.695199132844983 Energy: 4.526794606255497 Energy: 4.378652475003972 Energy: 4.280645453943058 Energy: 4.378652475002715 Energy: 4.526794606255497 Energy: 4.378652475003972 Energy: 4.531720463569971 Energy: 4.253813542373743 Energy: 4.298318666990272 Energy: 4.253813542376258 Energy: 4.531720463571227 Energy: 4.253813542390085 Energy: 4.5321459677664455 Energy: 4.254197564678409 Energy: 4.276759026886967 Energy: 4.254197564669725 Energy: 4.53214596776896 Energy: 4.254197564677152 Energy: 4.318738406501657 Energy: 4.260355620700475 Energy: 4.282725197652035 Energy: 4.260355620701732 Energy: 4.318738406502915 Energy: 4.260355620701732 Energy: 4.460866956213784 Energy: 5.6902623281605145 Energy: 4.2808876965690486 Energy: 5.690262328163029 Energy: 4.460866956212527 Energy: 5.690262328163029 Energy: 4.331885184517868 Energy: 5.635833576495756 Energy: 4.264098065106872 Energy: 5.635833576498269 Energy: 4.331885184517868 Energy: 5.635833576499526 Energy: 4.319091376957478 Energy: 4.325023478536605 Energy: 4.317543384339952 Energy: 4.325023478540375 Energy: 4.3190913769599915 Energy: 4.325023478540375 Energy: 4.276972082334798 Energy: 4.265691303714281 Energy: 4.327844866902361 Energy: 4.265691303716795 Energy: 4.276972082336055 Energy: 4.265691303716795 Energy: 4.348111985085787 Energy: 4.547507085101197 Energy: 4.277794169044582 Energy: 4.5475070851024535 Energy: 4.348111985085787 Energy: 4.547507085101197 Energy: 4.289686751308552 Energy: 4.262433536018187 Energy: 4.341707849857373 Energy: 4.26243353601693 Energy: 4.289686751306038 Energy: 4.2624335360244725 Energy: 4.4149145580653455 Energy: 4.548444659123146 Energy: 4.317980962648983 Energy: 4.548444659118118 Energy: 4.41491455806786 Energy: 4.548444659118118 Energy: 4.277449367623821 Energy: 4.273574931095628 Energy: 4.328252077010726 Energy: 4.273574931091857 Energy: 4.277449367621307 Energy: 4.2735749310943705 Energy: 4.408799904270294 Energy: 4.31959954225078 Energy: 4.274243106761458 Energy: 4.319599542254551 Energy: 4.408799904274066 Energy: 4.319599542254551 Energy: 4.240357048301317 Energy: 4.2440096584311355 Energy: 4.316766294505724 Energy: 4.244009658429878 Energy: 4.240357048301317 Energy: 4.244009658429878 Energy: 4.542595149557243 Energy: 5.708839525496961 Energy: 4.291845407220929 Energy: 5.708839525498218 Energy: 4.542595149563529 Energy: 5.708839525498218 Energy: 4.318630974838778 Energy: 4.28490346378501 Energy: 4.285112200726441 Energy: 4.284903463782497 Energy: 4.3186309748375225 Energy: 4.284903463781239 Energy: 4.527144385623531 Energy: 5.6419959265354525 Energy: 4.30813937487682 Energy: 5.641995926537966 Energy: 4.527144385624787 Energy: 5.641995926537966 Energy: 4.240159451939713 Energy: 4.265538337425984 Energy: 4.34590875341902 Energy: 4.26553833743227 Energy: 4.24015945194097 Energy: 4.265538337433527 Energy: 4.318638277232212 Energy: 4.240819549592219 Energy: 4.29250649270611 Energy: 4.240819549593477 Energy: 4.318638277232212 Energy: 4.240819549592219 Energy: 4.318147545735599 Energy: 4.3195847084545 Energy: 4.285768046783875 Energy: 4.319584708451987 Energy: 4.318147545738113 Energy: 4.319584708451987 minimum gb energy = 4.240159451939713 eV minimum distance = 2.11696260479713 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 5.426576763747875 Energy: 5.27398443587726 Energy: 4.206324256872167 Energy: 5.27398443587627 Energy: 5.426576763749856 Energy: 5.27398443587627 Energy: 3.967227375833582 Energy: 4.290409656558625 Energy: 3.9595092013274416 Energy: 4.2904096565576335 Energy: 3.96722737583061 Energy: 4.290409656556642 Energy: 4.046920000948323 Energy: 5.228333658951306 Energy: 4.060410600885293 Energy: 5.2283336589493254 Energy: 4.046920000948323 Energy: 5.2283336589493254 Energy: 4.055204600120667 Energy: 4.072216899754015 Energy: 3.96375033970415 Energy: 4.072216899755006 Energy: 4.055204600122647 Energy: 4.072216899755998 Energy: 4.067581756226312 Energy: 4.070103685625386 Energy: 4.056170242532756 Energy: 4.070103685623405 Energy: 4.067581756227303 Energy: 4.070103685623405 Energy: 4.059758578570229 Energy: 4.06969313589742 Energy: 3.959391276564121 Energy: 4.069693135896429 Energy: 4.05975857857122 Energy: 4.069693135894448 Energy: 4.028830597794096 Energy: 5.2306123916245095 Energy: 3.960643787417996 Energy: 5.2306123916255 Energy: 4.028830597794096 Energy: 5.2306123916255 Energy: 4.290007811443984 Energy: 3.959654075847085 Energy: 3.939134709055406 Energy: 3.959654075847085 Energy: 4.2900078114449745 Energy: 3.9596540758480763 Energy: 4.230867095804787 Energy: 4.068745679899613 Energy: 3.9713726362112847 Energy: 4.068745679900603 Energy: 4.2308670958057775 Energy: 4.068745679901594 Energy: 4.099042360560656 Energy: 5.225894614414315 Energy: 3.9340446746885953 Energy: 5.225894614414315 Energy: 4.099042360565609 Energy: 5.225894614414315 Energy: 4.1040170360933805 Energy: 5.233583839691894 Energy: 3.9382287098821935 Energy: 5.233583839690905 Energy: 4.104017036095361 Energy: 5.233583839690905 Energy: 4.056851198907605 Energy: 3.959936539970156 Energy: 3.939395572222769 Energy: 3.959936539970156 Energy: 4.0568511989056235 Energy: 3.959936539970156 Energy: 4.06410489196674 Energy: 5.297446805638334 Energy: 3.960712675511198 Energy: 5.297446805640315 Energy: 4.06410489196575 Energy: 5.297446805639325 Energy: 3.9594877074626815 Energy: 5.226204021807126 Energy: 3.9592185596133507 Energy: 5.226204021808116 Energy: 3.9594877074616908 Energy: 5.226204021807126 Energy: 4.058971094836595 Energy: 4.069482485905183 Energy: 3.9630100381153093 Energy: 4.069482485902211 Energy: 4.058971094838577 Energy: 4.069482485904191 Energy: 3.9587925894240277 Energy: 3.961503895963931 Energy: 3.965548389613123 Energy: 3.961503895963931 Energy: 3.958792589426009 Energy: 3.961503895963931 Energy: 3.963184558075949 Energy: 4.29058785266657 Energy: 4.0548073786793815 Energy: 4.29058785266657 Energy: 3.9631845580769394 Energy: 4.29058785266657 Energy: 3.932531142489773 Energy: 5.225214522809029 Energy: 4.066903873570498 Energy: 5.22521452281002 Energy: 3.932531142489773 Energy: 5.225214522809029 Energy: 3.9698175527038666 Energy: 4.299540278409242 Energy: 3.9632864392292886 Energy: 4.299540278410232 Energy: 3.9698175526999036 Energy: 4.299540278410232 Energy: 4.00762006160691 Energy: 3.9616201695954576 Energy: 4.101987323414028 Energy: 3.9616201695944664 Energy: 4.00762006160691 Energy: 3.9616201695944664 Energy: 3.9557422984935937 Energy: 4.288662383854417 Energy: 4.055931122669525 Energy: 4.288662383855407 Energy: 3.955742298494585 Energy: 4.288662383855407 Energy: 3.9326356241968194 Energy: 5.225384437034528 Energy: 4.0654576983546855 Energy: 5.225384437036509 Energy: 3.932635624194838 Energy: 5.225384437035519 Energy: 4.058856863861026 Energy: 4.065399592819135 Energy: 3.9639907800665517 Energy: 4.065399592818145 Energy: 4.058856863855081 Energy: 4.065399592819135 Energy: 3.9587391879641016 Energy: 5.300715571332817 Energy: 4.058383606449094 Energy: 5.300715571330835 Energy: 3.958739187965092 Energy: 5.300715571331827 Energy: 4.062248543465535 Energy: 4.0707896671423525 Energy: 3.959062137880791 Energy: 4.0707896671423525 Energy: 4.062248543463554 Energy: 4.070789667141361 Energy: 3.9594644932014202 Energy: 4.0654054480317665 Energy: 3.9607102031105144 Energy: 4.065405448029786 Energy: 3.9594644932004295 Energy: 4.065405448029786 Energy: 4.286297774198567 Energy: 3.958520874155002 Energy: 3.9331575222061366 Energy: 3.958520874154012 Energy: 4.286297774199558 Energy: 3.958520874155002 Energy: 4.0560089406726325 Energy: 5.310910127049793 Energy: 3.9586281938901013 Energy: 5.310910127048802 Energy: 4.056008940673623 Energy: 5.310910127048802 Energy: 4.101083206730647 Energy: 3.9586488736736514 Energy: 4.008253247939514 Energy: 3.958648873672661 Energy: 4.101083206729656 Energy: 3.958648873672661 Energy: 3.958381089944047 Energy: 4.082094850112871 Energy: 3.9402124219840844 Energy: 4.082094850112871 Energy: 3.9583810899430563 Energy: 4.082094850112871 Energy: 4.085743324386353 Energy: 3.958145280136176 Energy: 3.9335413416206 Energy: 3.958145280137167 Energy: 4.085743324385363 Energy: 3.9581452801351853 Energy: 4.055267054037 Energy: 5.325299654604584 Energy: 3.958792636255179 Energy: 5.325299654606566 Energy: 4.055267054037 Energy: 5.325299654605574 Energy: 3.964365843023302 Energy: 3.958214288713393 Energy: 3.9585247634781324 Energy: 3.958214288715375 Energy: 3.9643658430213202 Energy: 3.958214288713393 minimum gb energy = 3.932531142489773 eV minimum distance = 2.08188773039426 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 4.755786740455393 Energy: 4.588921488533257 Energy: 3.701928772872701 Energy: 4.588921488534648 Energy: 4.755786740462979 Energy: 4.588921488535407 Energy: 3.5053753760354027 Energy: 3.7291358730151956 Energy: 3.5213635459096837 Energy: 3.7291358730159536 Energy: 3.505375376019347 Energy: 3.7291358730179764 Energy: 4.7334411243839245 Energy: 4.693142605272864 Energy: 3.6346036869864795 Energy: 4.693142605274886 Energy: 4.7334411243839245 Energy: 4.693142605273496 Energy: 3.529062636168483 Energy: 3.600365852118121 Energy: 3.521058982629904 Energy: 3.6003658521188795 Energy: 3.5290626361740456 Energy: 3.600365852117489 Energy: 3.5924000375740794 Energy: 4.6795153405099885 Energy: 3.609900750415924 Energy: 4.67951534050784 Energy: 3.5924000375740794 Energy: 4.679515340507208 Energy: 3.5264673142636 Energy: 3.5988303376063584 Energy: 3.521260860253978 Energy: 3.598830337605726 Energy: 3.5264673142636 Energy: 3.5988303376071173 Energy: 3.570383500950654 Energy: 3.572774147599033 Energy: 3.527215188937062 Energy: 3.5727741475970105 Energy: 3.5703835009512854 Energy: 3.572774147594861 Energy: 3.578892567007472 Energy: 3.521605706791539 Energy: 3.4949304617533854 Energy: 3.521605706788758 Energy: 3.5788925670164478 Energy: 3.521605706786735 Energy: 3.5440897319911957 Energy: 4.662757183196581 Energy: 3.5323515520398976 Energy: 4.6627571831979715 Energy: 3.5440897319918276 Energy: 4.6627571831993615 Energy: 3.6050039509361604 Energy: 4.593223202098157 Energy: 3.5150610980549146 Energy: 4.593223202093984 Energy: 3.60500395093831 Energy: 4.593223202092593 Energy: 3.5877848369134764 Energy: 3.5704977938667213 Energy: 3.4997507801631382 Energy: 3.5704977938716516 Energy: 3.5877848369162577 Energy: 3.570497793872284 Energy: 3.599501484565768 Energy: 4.598420233072406 Energy: 3.517958064607635 Energy: 4.598420233072406 Energy: 3.599501484562228 Energy: 4.598420233073038 Energy: 3.523316348628829 Energy: 4.6627374946176285 Energy: 3.5104266856031527 Energy: 4.66273749461687 Energy: 3.523316348634391 Energy: 4.66273749461687 Energy: 3.6022200982114065 Energy: 4.654289713924503 Energy: 3.5161354274058167 Energy: 4.654289713924503 Energy: 3.602220098213556 Energy: 4.654289713925894 Energy: 3.5992509617097013 Energy: 4.573990847895165 Energy: 3.515619404950939 Energy: 4.573990847892384 Energy: 3.5992509617083104 Energy: 4.573990847892384 Energy: 3.5344654708313437 Energy: 4.597956192259644 Energy: 3.5211988404691734 Energy: 4.597956192260908 Energy: 3.5344654708285628 Energy: 4.597956192261665 Energy: 3.523078380969884 Energy: 4.645636747932141 Energy: 3.5078257915563444 Energy: 4.645636747930749 Energy: 3.523078380971275 Energy: 4.645636747929358 Energy: 3.533883244426546 Energy: 4.653047022927816 Energy: 3.504333221262569 Energy: 4.6530470229270575 Energy: 3.533883244426546 Energy: 4.653047022926425 Energy: 3.6006565190488518 Energy: 4.692868191459794 Energy: 3.499997114154079 Energy: 4.692868191459794 Energy: 3.600656519050242 Energy: 4.692868191459794 Energy: 3.50452528422296 Energy: 4.597386642028976 Energy: 3.494719830835008 Energy: 4.597386642026954 Energy: 3.50452528422296 Energy: 4.597386642027586 Energy: 3.5227981051215727 Energy: 4.622984001830774 Energy: 3.536124045809388 Energy: 4.622984001833554 Energy: 3.5227981051166424 Energy: 4.622984001832165 Energy: 3.492535841493838 Energy: 4.652862431440909 Energy: 3.5216162130115096 Energy: 4.65286243144154 Energy: 3.492535841491689 Energy: 4.652862431442931 Energy: 3.52242835191753 Energy: 4.715845270368744 Energy: 3.532240402463734 Energy: 4.715845270339541 Energy: 3.5224283519252415 Energy: 4.715845270370767 Energy: 3.5140844466439614 Energy: 4.598131635213816 Energy: 3.5210768076471632 Energy: 4.598131635213816 Energy: 3.5140844466467422 Energy: 4.598131635214574 Energy: 3.501832820935208 Energy: 4.624236876244813 Energy: 3.526679707334593 Energy: 4.624236876244181 Energy: 3.501832820979708 Energy: 4.6242368762434225 Energy: 3.5276157494606135 Energy: 4.652496008238249 Energy: 3.599378257478507 Energy: 4.6524960082368585 Energy: 3.527615749468957 Energy: 4.652496008237618 Energy: 3.5041632576373454 Energy: 3.601913389274361 Energy: 3.5333052562405873 Energy: 3.601913389270189 Energy: 3.5041632576262205 Energy: 3.601913389270189 Energy: 3.581253783923875 Energy: 4.598735501885877 Energy: 4.057649003253854 Energy: 4.598735501883095 Energy: 3.5812537839232426 Energy: 4.598735501882337 Energy: 3.496419592977534 Energy: 4.168450428207949 Energy: 3.5331161778785316 Energy: 4.16845042820934 Energy: 3.496419592973362 Energy: 4.1684504282100985 Energy: 3.52704951526872 Energy: 4.652376412805133 Energy: 3.7269866115227885 Energy: 4.652376412805891 Energy: 3.5270495152763055 Energy: 4.652376412807282 Energy: 3.5242721812873787 Energy: 3.605257561712917 Energy: 3.5350825274355766 Energy: 3.6052575617156988 Energy: 3.5242721812977456 Energy: 3.60525756171494 Energy: 3.513960112100113 Energy: 4.647070537199196 Energy: 3.6017342830539634 Energy: 4.6470705372005865 Energy: 3.5139601121021355 Energy: 4.6470705372005865 Energy: 3.5281897510930236 Energy: 3.6005771214316065 Energy: 3.5043026673561424 Energy: 3.6005771214316065 Energy: 3.528189751092392 Energy: 3.6005771214323645 Energy: 3.492576828103383 Energy: 3.5223367092537927 Energy: 3.605708160744905 Energy: 3.522336709256574 Energy: 3.492576828103383 Energy: 3.5223367092551836 Energy: 3.6062084994744206 Energy: 3.522632218188784 Energy: 3.4924887846739963 Energy: 3.5226322181867618 Energy: 3.606208499471639 Energy: 3.5226322181895435 Energy: 3.5043724818420814 Energy: 3.600408114209914 Energy: 3.528272362038826 Energy: 3.6004081141946163 Energy: 3.50437248184145 Energy: 3.600408114205742 Energy: 3.6018101982104445 Energy: 4.647057652426494 Energy: 3.513748721726686 Energy: 4.647057652427884 Energy: 3.601810198213226 Energy: 4.647057652428643 Energy: 3.5345422755815985 Energy: 3.6057452206978757 Energy: 3.5245856678419942 Energy: 3.605745220701289 Energy: 3.5345422755767943 Energy: 3.605745220701289 Energy: 3.7269866115380856 Energy: 4.652387846230972 Energy: 3.531196579452401 Energy: 4.652387846231729 Energy: 3.7269866115388437 Energy: 4.652387846230972 Energy: 3.5154141838573105 Energy: 4.168473496756537 Energy: 3.5001861355186623 Energy: 4.1684734967607096 Energy: 3.5154141838600914 Energy: 4.168473496758561 Energy: 4.057700177443213 Energy: 4.5987170535371344 Energy: 3.5814244694100057 Energy: 4.5987170535385244 Energy: 4.057700177448143 Energy: 4.5987170535371344 Energy: 3.533334073178019 Energy: 3.6013673858754016 Energy: 3.503017093800408 Energy: 3.6013673858732522 Energy: 3.5333340731738474 Energy: 3.6013673858754016 Energy: 3.599464553982999 Energy: 4.652499187121848 Energy: 3.5305328202901816 Energy: 4.652499187121848 Energy: 3.599464553979585 Energy: 4.652499187120457 Energy: 3.520723316444493 Energy: 4.624064352533204 Energy: 3.5018627416853496 Energy: 4.624064352531813 Energy: 3.5207233164339997 Energy: 4.624064352531813 Energy: 3.5211751844309007 Energy: 4.598101111152209 Energy: 3.513948815835517 Energy: 4.598101111152209 Energy: 3.521175184433682 Energy: 4.598101111150819 Energy: 3.5321844896284995 Energy: 4.715845270365204 Energy: 3.5241506013758648 Energy: 4.71584527033815 Energy: 3.532184489632039 Energy: 4.715845270368744 Energy: 3.521569704691505 Energy: 4.65295186641715 Energy: 3.492483622871042 Energy: 4.65295186641715 Energy: 3.5215697046935275 Energy: 4.65295186641715 minimum gb energy = 3.492483622871042 eV minimum distance = 2.1354377204323 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 1.320112774526428 Energy: 1.2845327594948033 Energy: 3.3635267256502948 Energy: 1.2845327594948033 Energy: 1.320112774526428 Energy: 1.2845327594948033 Energy: 1.2285423937356752 Energy: 3.358831945898296 Energy: 2.67492310437604 Energy: 3.358831945898296 Energy: 1.2285423937403224 Energy: 3.358831945898296 Energy: 1.320112774526428 Energy: 1.2845327594948033 Energy: 3.363526725645648 Energy: 1.2845327594948033 Energy: 1.320112774526428 Energy: 1.2845327594948033 Energy: 1.2285423937356752 Energy: 3.358831945898296 Energy: 2.674923104231611 Energy: 3.358831945898296 Energy: 1.2285423937356752 Energy: 3.358831945898296 Energy: 1.320112774526428 Energy: 1.2845327594994502 Energy: 3.3635267256502948 Energy: 1.2845327594948033 Energy: 1.320112774526428 Energy: 1.2845327594948033 Energy: 1.2285423937356752 Energy: 3.358831945898296 Energy: 2.6749231044294812 Energy: 3.358831945898296 Energy: 1.2285423937356752 Energy: 3.358831945898296 Energy: 1.320112774526428 Energy: 1.2845327594948033 Energy: 3.363526725645648 Energy: 1.2845327594948033 Energy: 1.320112774526428 Energy: 1.2845327594948033 minimum gb energy = 1.2285423937356752 eV minimum distance = 2.25853973224439 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 5.117523567211305 Energy: 3.4800898464804817 Energy: 3.8186223951746014 Energy: 3.480089846455187 Energy: 5.117523567211305 Energy: 3.480089846474158 Energy: 4.166018123572348 Energy: 3.577999829811495 Energy: 3.439684966134764 Energy: 3.577999829805171 Energy: 4.166018123603853 Energy: 3.577999829805171 Energy: 5.05762094538062 Energy: 3.435714321522474 Energy: 3.7664931693616883 Energy: 3.435714321522474 Energy: 5.05762094538062 Energy: 3.435714321522474 Energy: 4.169110345096479 Energy: 3.582666608077517 Energy: 3.43951907151675 Energy: 3.582666608077517 Energy: 4.169110345096479 Energy: 3.582666608077517 Energy: 4.325219608658888 Energy: 3.476793218746284 Energy: 3.686422878906227 Energy: 3.476793218746284 Energy: 4.325219608658888 Energy: 3.476793218746284 Energy: 4.1055155635359455 Energy: 3.4906585728881048 Energy: 3.4394679584272465 Energy: 3.4906585728817814 Energy: 4.1055155635359455 Energy: 3.4906585728881048 Energy: 4.257259355751024 Energy: 3.4793753304941557 Energy: 3.5002146217752905 Energy: 3.4793753304941557 Energy: 4.257259355751024 Energy: 3.4793753304941557 Energy: 4.19724346647024 Energy: 3.5014386282455083 Energy: 3.4408642220486927 Energy: 3.5014386282455083 Energy: 4.19724346647024 Energy: 3.5014386282455083 Energy: 3.4884506360420175 Energy: 3.4340866678837827 Energy: 3.9446986739208683 Energy: 3.4340866678837827 Energy: 3.4884506360420175 Energy: 3.4340866678837827 Energy: 3.488946061898493 Energy: 3.454535363192709 Energy: 4.107220818092331 Energy: 3.454535363192709 Energy: 3.488946061898493 Energy: 3.4545353631863853 Energy: 3.4947088241929705 Energy: 3.446097006367555 Energy: 4.106975384535434 Energy: 3.446097006367555 Energy: 3.4947088241929705 Energy: 3.4460970063612306 Energy: 3.5879857239662063 Energy: 4.291130178113723 Energy: 4.15356940278186 Energy: 4.291130178113723 Energy: 3.5879857239725306 Energy: 4.291130178113723 Energy: 3.4329124008070497 Energy: 3.436700872125198 Energy: 3.95759931940973 Energy: 3.436700872125198 Energy: 3.432912400813373 Energy: 3.436700872125198 Energy: 3.4962380047776405 Energy: 4.264985200866669 Energy: 4.153061047320801 Energy: 4.264985200866669 Energy: 3.4962380047776405 Energy: 4.264985200866669 Energy: 3.48246818364643 Energy: 3.475326478820483 Energy: 4.1557996590128505 Energy: 3.475326478820483 Energy: 3.48246818364643 Energy: 3.475326478814159 Energy: 3.5074786143257937 Energy: 4.290784370343611 Energy: 4.242874414628974 Energy: 4.290784370343611 Energy: 3.5074786143194694 Energy: 4.290784370343611 Energy: 3.4324676463709523 Energy: 3.491966403310685 Energy: 3.9577639715432578 Energy: 3.491966403304361 Energy: 3.4324676463709523 Energy: 3.491966403310685 Energy: 3.4594485565230264 Energy: 4.2642432829130374 Energy: 4.153511873536051 Energy: 4.2642432829130374 Energy: 3.4594485565230264 Energy: 4.2642432829130374 Energy: 3.482351863757737 Energy: 3.4930824815527015 Energy: 4.110825485115553 Energy: 3.4930824815463777 Energy: 3.482351863757737 Energy: 3.4930824815527015 Energy: 3.4329334317234794 Energy: 4.292087960359477 Energy: 4.153082344454612 Energy: 4.292087960359477 Energy: 3.4329334317234794 Energy: 4.292087960359477 Energy: 3.4323469821069588 Energy: 3.5806102890394795 Energy: 3.947294319705546 Energy: 3.5806102890458034 Energy: 3.4323469821069588 Energy: 3.580610289052127 Energy: 3.4338472669147952 Energy: 4.260102433271147 Energy: 4.106576560212443 Energy: 4.2601024332774715 Energy: 3.4338472669147952 Energy: 4.260102433271147 Energy: 4.109119776284295 Energy: 3.5018435849096257 Energy: 4.107924294500289 Energy: 3.5018435849159495 Energy: 4.109119776277972 Energy: 3.5018435849096257 Energy: 4.1244851972952 Energy: 4.291829429922425 Energy: 3.4413131854062837 Energy: 4.291829429922425 Energy: 4.1244851972952 Energy: 4.291829429922425 Energy: 4.1106848473772235 Energy: 4.386844026743963 Energy: 3.9825995324803087 Energy: 4.386844026737639 Energy: 4.1106848473772235 Energy: 4.386844026737639 Energy: 4.172005274512481 Energy: 4.258416195137206 Energy: 3.439422902262499 Energy: 4.258416195143415 Energy: 4.172005274512481 Energy: 4.258416195143415 Energy: 4.106594170549794 Energy: 4.314517733791398 Energy: 3.4816368796580974 Energy: 4.314517733791398 Energy: 4.10659417054347 Energy: 4.314517733791398 Energy: 4.15160101601281 Energy: 4.291829756891378 Energy: 3.4387277304314927 Energy: 4.291829756891378 Energy: 4.15160101601281 Energy: 4.291829756891378 Energy: 4.152921898524584 Energy: 4.265676801134662 Energy: 3.6553278663754387 Energy: 4.265676801134662 Energy: 4.152921898524584 Energy: 4.265676801134662 Energy: 4.242038292831252 Energy: 4.254669618915253 Energy: 3.4862056591368686 Energy: 4.254669618915253 Energy: 4.2420382928375755 Energy: 4.254669618915253 Energy: 4.154230469104199 Energy: 3.4500763012970284 Energy: 3.4824028008629115 Energy: 3.4500763012970284 Energy: 4.154230469097875 Energy: 3.4500763012717326 Energy: 4.151796307462978 Energy: 4.29182173872193 Energy: 3.483313435189065 Energy: 4.29182173872193 Energy: 4.151796307456654 Energy: 4.29182173872193 Energy: 4.154706205331414 Energy: 3.4888230990652493 Energy: 3.4338101051731043 Energy: 3.4888230990652493 Energy: 4.154706205331414 Energy: 3.4888230990652493 Energy: 4.171029070318615 Energy: 4.316257343652383 Energy: 3.4857599530794627 Energy: 4.316257343652383 Energy: 4.171029070318615 Energy: 4.316257343652383 Energy: 4.10875611942454 Energy: 3.4479642682859977 Energy: 3.4492869309389147 Energy: 3.4479642682923215 Energy: 4.108756119418216 Energy: 3.4479642682859977 Energy: 4.123935082653047 Energy: 3.481403487295801 Energy: 4.157581342314539 Energy: 3.481403487295801 Energy: 4.123935082653047 Energy: 3.481403487295801 Energy: 4.1115206118205485 Energy: 3.490305396397549 Energy: 3.4509223038562573 Energy: 3.490305396397549 Energy: 4.111520611826872 Energy: 3.490305396397549 Energy: 3.4330340421845102 Energy: 3.4858517301142933 Energy: 4.118030685796919 Energy: 3.4858517301142933 Energy: 3.433034042190834 Energy: 3.4858517301142933 Energy: 4.110232595424633 Energy: 3.448274616116421 Energy: 4.107492761082703 Energy: 3.448274616122745 Energy: 4.110232595418309 Energy: 3.448274616122745 Energy: 3.432436883395649 Energy: 3.511239081307486 Energy: 4.10716234429908 Energy: 3.511239081307486 Energy: 3.432436883395649 Energy: 3.51123908131381 Energy: 3.433734900154461 Energy: 3.485055680768286 Energy: 4.153803299158582 Energy: 3.485055680768286 Energy: 3.433734900154461 Energy: 3.48505568077461 Energy: 3.4596838986249647 Energy: 3.5876246649006283 Energy: 4.107357050286527 Energy: 3.587624664906952 Energy: 3.459683898618641 Energy: 3.5876246649006283 Energy: 3.4816145652273045 Energy: 4.240663753944458 Energy: 4.153995796129615 Energy: 4.240663753938135 Energy: 3.4816145652335133 Energy: 4.240663753938135 Energy: 3.432642664861774 Energy: 3.5838289713469487 Energy: 4.108712813273964 Energy: 3.5838289713469487 Energy: 3.432642664861774 Energy: 3.5838289713469487 Energy: 3.482628269908677 Energy: 4.262162154139406 Energy: 4.243117174742031 Energy: 4.262162154133083 Energy: 3.482628269908677 Energy: 4.262162154133083 Energy: 3.459104200104524 Energy: 3.5883610293316663 Energy: 4.157571115536391 Energy: 3.5883610293316663 Energy: 3.459104200104524 Energy: 3.5883610293316663 Energy: 3.579400442568726 Energy: 4.240849487923084 Energy: 4.154086889422887 Energy: 4.240849487923084 Energy: 3.579400442568726 Energy: 4.240849487923084 Energy: 3.4323563793651823 Energy: 3.499836052738877 Energy: 4.1115443665027405 Energy: 3.4998360527452013 Energy: 3.4323563793651823 Energy: 3.499836052738877 Energy: 3.482527818560383 Energy: 3.485345920928555 Energy: 4.153809840636037 Energy: 3.485345920928555 Energy: 3.4825278185540594 Energy: 3.485345920928555 Energy: 3.461452141419353 Energy: 3.4823479560531854 Energy: 4.106432168769287 Energy: 3.4823479560595088 Energy: 3.461452141419353 Energy: 3.4823479560595088 Energy: 3.487720951754874 Energy: 3.4935830449979863 Energy: 4.106960310506775 Energy: 3.4935830449979863 Energy: 3.487720951754874 Energy: 3.4935830449979863 minimum gb energy = 3.4323469821069588 eV minimum distance = 2.1488576669319 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 5.511561637007932 Energy: 3.8268300919607614 Energy: 4.682081814330498 Energy: 3.8268300919616296 Energy: 5.511561637006196 Energy: 3.8268300919624973 Energy: 4.061452287841044 Energy: 3.9581028880022497 Energy: 3.747495358334405 Energy: 3.9581028879987783 Energy: 4.061452287900853 Energy: 3.9581028879987783 Energy: 5.304425465638108 Energy: 3.7845960776930108 Energy: 4.439961042812284 Energy: 3.7845960777008223 Energy: 5.304425465641579 Energy: 3.784596077693879 Energy: 4.006999095409155 Energy: 3.8102023880666356 Energy: 3.7554073504480026 Energy: 3.810202388070107 Energy: 4.0069990954195704 Energy: 3.810202388070107 Energy: 4.1082236732731445 Energy: 3.7503931204064713 Energy: 4.116602406162379 Energy: 3.750393120407339 Energy: 4.108223673274881 Energy: 3.7503931204064713 Energy: 4.073577262353241 Energy: 3.8130496058507504 Energy: 4.0077967094038645 Energy: 3.813049605853354 Energy: 4.0735772623506366 Energy: 3.813049605851618 Energy: 4.154936523375298 Energy: 3.813242321716533 Energy: 4.061466939873412 Energy: 3.8132423217139295 Energy: 4.154936523378769 Energy: 3.813242321718269 Energy: 4.06633826737589 Energy: 3.7556693667229983 Energy: 4.062484446201442 Energy: 3.755669366720394 Energy: 4.066338267375022 Energy: 3.755669366718658 Energy: 3.7485934513582615 Energy: 3.732743637945051 Energy: 4.006261045029792 Energy: 3.732743637945051 Energy: 3.7485934513565256 Energy: 3.732743637945051 Energy: 4.19836001046656 Energy: 3.7570219865150762 Energy: 4.128299206517099 Energy: 3.757021986506397 Energy: 4.198360010467428 Energy: 3.7570219865011887 Energy: 3.8134305693238755 Energy: 3.825681633068647 Energy: 3.80739294299399 Energy: 3.8256816330695154 Energy: 3.8134305693247432 Energy: 3.8256816330669112 Energy: 3.811045967459035 Energy: 3.8060077715778053 Energy: 3.9329992842270243 Energy: 3.8060077715778053 Energy: 3.811045967460771 Energy: 3.8060077715778053 Energy: 3.7315454803571066 Energy: 3.846635860273428 Energy: 4.0078896356962685 Energy: 3.846635860269956 Energy: 3.731545480355371 Energy: 3.846635860269956 Energy: 4.0682229575831 Energy: 3.7566187447308845 Energy: 4.125112490938919 Energy: 3.756618744711869 Energy: 4.0682229575831 Energy: 3.756618744725677 Energy: 4.070807454170105 Energy: 3.928235703849301 Energy: 4.058610251049508 Energy: 3.928235703849301 Energy: 4.070807454169238 Energy: 3.9282357038484332 Energy: 4.007941324014326 Energy: 3.806911265264687 Energy: 4.061005358102322 Energy: 3.806911265260347 Energy: 4.007941324016062 Energy: 3.806911265260347 Energy: 4.006695664735516 Energy: 3.8145596908807597 Energy: 4.1159891132089905 Energy: 3.8145596908824952 Energy: 4.006695664732913 Energy: 3.814559690879024 Energy: 4.067431447107248 Energy: 3.790349717682161 Energy: 4.006499698698885 Energy: 3.7903497176786893 Energy: 4.06743144710638 Energy: 3.7903497176778216 Energy: 4.068478856781757 Energy: 4.853205444634826 Energy: 4.074128607687182 Energy: 4.853205444628751 Energy: 4.0684788567843615 Energy: 4.853205444631354 Energy: 4.121133610481453 Energy: 3.804526560950976 Energy: 3.7553288199608867 Energy: 3.8045265609544474 Energy: 4.121133610484925 Energy: 3.8045265609535797 Energy: 4.122133561086301 Energy: 4.749127291421919 Energy: 4.102543849114631 Energy: 4.749127291419315 Energy: 4.122133561085433 Energy: 4.7491272914175795 Energy: 4.083008931735879 Energy: 3.7816471404277285 Energy: 3.812866513653022 Energy: 3.7816471404277285 Energy: 4.083008932374368 Energy: 3.7816471404285967 Energy: 4.091539431900014 Energy: 3.7657350155781466 Energy: 3.812685702059496 Energy: 3.765735015583354 Energy: 4.091539431891334 Energy: 3.765735015584222 Energy: 4.120878911084837 Energy: 4.745369854819373 Energy: 3.769782093915095 Energy: 4.745369854821977 Energy: 4.120878911084837 Energy: 4.745369854821977 Energy: 4.1214208707693425 Energy: 3.8080752766164796 Energy: 3.754728226563947 Energy: 3.808075276617348 Energy: 4.12142087077455 Energy: 3.808075276615612 Energy: 4.066966364323885 Energy: 4.850321868175154 Energy: 4.075245583217809 Energy: 4.850321868170814 Energy: 4.066966364326489 Energy: 4.850321868170814 Energy: 4.069408199377989 Energy: 3.7898609707191975 Energy: 4.006533492755073 Energy: 3.7898609707200657 Energy: 4.0694081993762525 Energy: 3.7898609707191975 Energy: 4.006604365574709 Energy: 3.815997710614596 Energy: 4.030003981421964 Energy: 3.815997710614596 Energy: 4.006604365572105 Energy: 3.8159977106154637 Energy: 4.007531927727537 Energy: 3.8049461898988803 Energy: 4.061876384872459 Energy: 3.8049461898988803 Energy: 4.00753192773014 Energy: 3.8049461899014845 Energy: 4.069174462630888 Energy: 3.9282357038519047 Energy: 4.057006630130342 Energy: 3.928235703850169 Energy: 4.069174462633492 Energy: 3.928235703850169 Energy: 4.069096086261741 Energy: 3.7560620591473945 Energy: 4.129040770800031 Energy: 3.756062059151734 Energy: 4.069096086262609 Energy: 3.7560620591482623 Energy: 3.7313020928030047 Energy: 3.8237809664222993 Energy: 4.059985957261467 Energy: 3.8237809664222993 Energy: 3.7313020928012692 Energy: 3.8237809664205638 Energy: 3.810736203838566 Energy: 3.805737268364765 Energy: 3.9330173667408626 Energy: 3.805737268364765 Energy: 3.8107362038360413 Energy: 3.8057372683665003 Energy: 3.8131623882093377 Energy: 3.8223767478531694 Energy: 3.805120855122261 Energy: 3.822376747856641 Energy: 3.8131623882119414 Energy: 3.8223767478549053 Energy: 4.198360010460484 Energy: 3.760217433099155 Energy: 4.125398936229144 Energy: 3.760217433099155 Energy: 4.198360010460484 Energy: 3.7602174331000224 Energy: 3.748520278646007 Energy: 3.7325276768684232 Energy: 4.059678350628897 Energy: 3.7325276768649513 Energy: 3.748520278646875 Energy: 3.7325276768649513 Energy: 4.067300780821212 Energy: 3.753389513135829 Energy: 4.06169623799067 Energy: 3.753389513135829 Energy: 4.067300780821212 Energy: 3.7533895131349606 Energy: 4.155435768903529 Energy: 3.808815497810442 Energy: 4.056801980156189 Energy: 3.808815497809574 Energy: 4.155435768905265 Energy: 3.8088154978078386 minimum gb energy = 3.7313020928012692 eV minimum distance = 2.14411214517039 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 4.416153996351846 Energy: 3.9482174298280874 Energy: 4.497654448434449 Energy: 3.9482174298280874 Energy: 4.416153996352913 Energy: 3.948217429830219 Energy: 4.330473888713371 Energy: 4.267420990262505 Energy: 3.9265878886015018 Energy: 4.267420990261439 Energy: 4.330473888712304 Energy: 4.267420990262505 Energy: 4.389651557364354 Energy: 3.9295582093019035 Energy: 4.819636486164449 Energy: 3.9295582093029697 Energy: 4.389651557363288 Energy: 3.9295582093029697 Energy: 4.303625206389718 Energy: 4.012112205324452 Energy: 3.9390416122609024 Energy: 4.01211220532232 Energy: 4.303625206388652 Energy: 4.012112205323385 Energy: 4.298072886139524 Energy: 4.010199837913238 Energy: 4.3581428463804786 Energy: 4.010199837911107 Energy: 4.298072886141656 Energy: 4.010199837912173 Energy: 4.371314786532305 Energy: 4.020453206089508 Energy: 4.291259784610603 Energy: 4.020453206087375 Energy: 4.371314786532305 Energy: 4.020453206090574 Energy: 3.9287848853822207 Energy: 3.910450015630058 Energy: 4.341725339375778 Energy: 3.910450015630058 Energy: 3.928784885383287 Energy: 3.910450015630058 Energy: 4.549361339678668 Energy: 3.9377707099247243 Energy: 4.429972950875089 Energy: 3.9377707099289885 Energy: 4.549361339678668 Energy: 3.9377707099289885 Energy: 4.010578697239012 Energy: 4.04766857373287 Energy: 4.309336010132736 Energy: 4.047668573735002 Energy: 4.010578697239012 Energy: 4.047668573733937 Energy: 4.040593452532896 Energy: 3.951583861078208 Energy: 4.000946820327466 Energy: 3.951583861079274 Energy: 4.040593452533963 Energy: 3.9515838610760756 Energy: 3.909570525309847 Energy: 4.041392012486483 Energy: 4.342120547057549 Energy: 4.041392012486483 Energy: 3.909570525310913 Energy: 4.04139201248755 Energy: 4.37133013061388 Energy: 3.9433009735919478 Energy: 4.419026459455126 Energy: 3.9433009735930136 Energy: 4.371330130612813 Energy: 3.9433009735898152 Energy: 4.375350383269833 Energy: 4.011108671225938 Energy: 4.014838048831478 Energy: 4.011108671227004 Energy: 4.375350383269833 Energy: 4.011108671227004 Energy: 4.290083430937395 Energy: 3.952847497792615 Energy: 4.291651692911879 Energy: 3.9528474977904824 Energy: 4.290083430938462 Energy: 3.9528474977904824 Energy: 4.291476131365735 Energy: 4.013838058144079 Energy: 4.371607162030797 Energy: 4.013838058143012 Energy: 4.291476131366801 Energy: 4.013838058144079 Energy: 4.292327044422935 Energy: 3.910121389460553 Energy: 3.9394205000978086 Energy: 3.910121389459487 Energy: 4.292327044424001 Energy: 3.910121389460553 Energy: 4.292192352254123 Energy: 3.9366294464662377 Energy: 4.41351752564548 Energy: 3.936629446464105 Energy: 4.292192352254123 Energy: 3.936629446463039 Energy: 4.4164189704964025 Energy: 3.9489654140444235 Energy: 4.017317943897374 Energy: 3.9489654140444235 Energy: 4.416418970497468 Energy: 3.9489654140454897 Energy: 4.430185282987779 Energy: 3.948189977341658 Energy: 4.020954135517689 Energy: 3.948189977341658 Energy: 4.430185282986713 Energy: 3.948189977342724 Energy: 4.291677697098481 Energy: 4.041434193895213 Energy: 3.9260329468367066 Energy: 4.041434193898412 Energy: 4.291677697098481 Energy: 4.041434193898412 Energy: 4.290062218983237 Energy: 4.012643317710524 Energy: 3.942326729479061 Energy: 4.012643317709459 Energy: 4.290062218984303 Energy: 4.012643317710524 Energy: 4.288953798534803 Energy: 4.015645083137233 Energy: 4.378250069899943 Energy: 4.0156450831383 Energy: 4.288953798534803 Energy: 4.015645083134035 Energy: 4.292604063750161 Energy: 3.9514658208184534 Energy: 4.291483632754365 Energy: 3.951465820817387 Energy: 4.292604063745896 Energy: 3.951465820816321 Energy: 4.371758871329135 Energy: 4.011414396896841 Energy: 4.295905458250571 Energy: 4.011414396895773 Energy: 4.371758871329135 Energy: 4.011414396895773 Energy: 4.37520588584042 Energy: 4.013226159172302 Energy: 4.426189667017358 Energy: 4.013226159173368 Energy: 4.375205885838287 Energy: 4.013226159173368 Energy: 3.911033815762324 Energy: 4.033426686642486 Energy: 4.3415829223372375 Energy: 4.033426686641421 Energy: 3.91103381576339 Energy: 4.033426686641421 Energy: 4.037596283336622 Energy: 5.030407937512824 Energy: 4.00030757808703 Energy: 5.030407937510692 Energy: 4.037596283337688 Energy: 5.030407937511757 Energy: 4.011297360479976 Energy: 3.951356468738725 Energy: 4.003369543318629 Energy: 3.951356468738725 Energy: 4.011297360479976 Energy: 3.951356468738725 Energy: 4.55013430563916 Energy: 3.9449269945271923 Energy: 4.426664538111776 Energy: 3.9449269945271923 Energy: 4.5501343056370285 Energy: 3.9449269945261265 Energy: 3.930033902934892 Energy: 3.9130626599700946 Energy: 4.340677885617422 Energy: 3.913062659971161 Energy: 3.930033902934892 Energy: 3.913062659971161 Energy: 4.058034789670853 Energy: 4.030428574205055 Energy: 4.292107726301008 Energy: 4.030428574208253 Energy: 4.058034789668721 Energy: 4.030428574207187 minimum gb energy = 3.909570525309847 eV minimum distance = 2.14032483353077 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 4.287625087243903 Energy: 4.108006224668512 Energy: 4.614485214440251 Energy: 4.108006224667132 Energy: 4.287625087245283 Energy: 4.108006224650566 Energy: 4.108316013736866 Energy: 4.736575143292366 Energy: 4.107257863778533 Energy: 4.736575143293746 Energy: 4.108316013736866 Energy: 4.736575143293746 Energy: 4.106767688253365 Energy: 4.245801667934124 Energy: 4.256885500002573 Energy: 4.245801667934124 Energy: 4.106767688253365 Energy: 4.245801667936885 Energy: 4.138909105564658 Energy: 4.25245867628872 Energy: 4.107321064049904 Energy: 4.25245867628734 Energy: 4.138909105561898 Energy: 4.2524586762859595 Energy: 4.109047428904519 Energy: 4.265572736639115 Energy: 4.804695327949997 Energy: 4.265572736640495 Energy: 4.109047428904519 Energy: 4.265572736639115 Energy: 4.2581535526778485 Energy: 4.263772165978696 Energy: 4.10442561617593 Energy: 4.263772165981457 Energy: 4.25815355268199 Energy: 4.263772165981457 Energy: 4.247165281075533 Energy: 4.249603258253022 Energy: 4.1109270558646145 Energy: 4.249603258257163 Energy: 4.247165281075533 Energy: 4.249603258253022 Energy: 4.261746079149339 Energy: 4.103333439918022 Energy: 4.287506422168128 Energy: 4.103333439918022 Energy: 4.261746079149339 Energy: 4.103333439918022 Energy: 4.109590396741661 Energy: 4.7337970053967915 Energy: 4.803439886656536 Energy: 4.7337970053967915 Energy: 4.109590396741661 Energy: 4.733797005395411 Energy: 4.252852155956979 Energy: 4.618229960164734 Energy: 4.105114912652176 Energy: 4.618229960157833 Energy: 4.252852155958359 Energy: 4.618229960161973 Energy: 4.246779288075219 Energy: 4.245982537478001 Energy: 4.263209411680183 Energy: 4.245982537478001 Energy: 4.246779288075219 Energy: 4.245982537476621 Energy: 4.105887291720847 Energy: 4.103916007720078 Energy: 4.10667034999964 Energy: 4.103916007715937 Energy: 4.105887291719466 Energy: 4.103916007717317 Energy: 4.10999164573929 Energy: 4.264112508426491 Energy: 4.618409292485483 Energy: 4.264112508430632 Energy: 4.10999164573929 Energy: 4.264112508431949 Energy: 4.111959339088235 Energy: 4.139443415572547 Energy: 4.253727611827582 Energy: 4.139443415571166 Energy: 4.111959339089616 Energy: 4.139443415569786 Energy: 4.106198984997062 Energy: 4.10619679270117 Energy: 4.264661533621775 Energy: 4.10619679269979 Energy: 4.106198984999822 Energy: 4.10619679269979 Energy: 4.105482423543236 Energy: 4.254550058033416 Energy: 4.106654661609448 Energy: 4.254550058029275 Energy: 4.105482423545997 Energy: 4.254550058029275 Energy: 4.11064705107984 Energy: 4.106015548455458 Energy: 4.2451711090202435 Energy: 4.106015548459599 Energy: 4.11064705107984 Energy: 4.106015548459599 Energy: 4.252958767656937 Energy: 4.461095589233952 Energy: 4.252966776144911 Energy: 4.461095589236713 Energy: 4.252958767658317 Energy: 4.461095589235333 Energy: 4.245210328008095 Energy: 4.1059949070336605 Energy: 4.110594163386988 Energy: 4.10599490702814 Energy: 4.245210328008095 Energy: 4.1059949070309 Energy: 4.1068438953201785 Energy: 4.2545899816251795 Energy: 4.105448066799406 Energy: 4.254589981627941 Energy: 4.1068438953201785 Energy: 4.254589981627941 Energy: 4.264678781492104 Energy: 4.105951005855145 Energy: 4.106169112161117 Energy: 4.1059510058523845 Energy: 4.264678781490723 Energy: 4.105951005855145 Energy: 4.253699230516629 Energy: 4.253299525093153 Energy: 4.112275480181614 Energy: 4.253299525093153 Energy: 4.253699230516629 Energy: 4.253299525098675 Energy: 4.733827529802396 Energy: 4.263013995928131 Energy: 4.109953646669754 Energy: 4.263013995928131 Energy: 4.733827529801016 Energy: 4.263013995932273 Energy: 4.106780983948191 Energy: 4.103540129382373 Energy: 4.105924570407356 Energy: 4.103540129386514 Energy: 4.106780983950953 Energy: 4.103540129383753 minimum gb energy = 4.103333439918022 eV minimum distance = 2.1544683236972 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 4.194297509523295 Energy: 4.190844853350647 Energy: 6.808810104963368 Energy: 4.190844853350647 Energy: 4.194297509523295 Energy: 4.190844853352599 Energy: 4.234328248847858 Energy: 4.317523799219411 Energy: 4.322323753108751 Energy: 4.317523799219411 Energy: 4.234328248847858 Energy: 4.317523799219411 Energy: 4.317163213786426 Energy: 4.317885776462119 Energy: 4.319405790885265 Energy: 4.317885776460167 Energy: 4.317163213788378 Energy: 4.317885776462119 Energy: 4.348369017763847 Energy: 4.3220308423176075 Energy: 4.32637297395335 Energy: 4.3220308423176075 Energy: 4.348369017765799 Energy: 4.322030842319559 Energy: 4.3479074390137145 Energy: 4.348653042461155 Energy: 4.319614584903984 Energy: 4.348653042459203 Energy: 4.3479074390137145 Energy: 4.348653042461155 Energy: 4.3176469654204395 Energy: 4.193117989057344 Energy: 4.1904888456701395 Energy: 4.193117989057344 Energy: 4.317646965418487 Energy: 4.193117989057344 Energy: 4.318463070170714 Energy: 5.252934972604809 Energy: 4.236642182826642 Energy: 5.252934972604809 Energy: 4.318463070170714 Energy: 5.252934972604809 Energy: 4.321660857288756 Energy: 4.226021805220872 Energy: 4.3265225098750655 Energy: 4.226021805222824 Energy: 4.321660857290707 Energy: 4.226021805220872 Energy: 4.317705067451204 Energy: 4.317386935108778 Energy: 5.252266567269038 Energy: 4.317386935110729 Energy: 4.317705067451204 Energy: 4.317386935108778 Energy: 4.198883646559552 Energy: 4.168034727900296 Energy: 4.321857890427853 Energy: 4.168034727900296 Energy: 4.198883646559552 Energy: 4.168034727900296 Energy: 4.190070384649965 Energy: 4.849495715818472 Energy: 4.320498972677746 Energy: 4.84949571581652 Energy: 4.190070384649965 Energy: 4.8494957158204235 Energy: 4.320968888697412 Energy: 4.31909837042742 Energy: 4.322100753391742 Energy: 4.319098370429372 Energy: 4.320968888697412 Energy: 4.319098370425468 Energy: 4.316876754507038 Energy: 4.225581458771383 Energy: 4.3201505384647225 Energy: 4.225581458771383 Energy: 4.316876754507038 Energy: 4.225581458771383 Energy: 4.352264445338419 Energy: 4.349520225793112 Energy: 4.333662721532332 Energy: 4.349520225793112 Energy: 4.352264445338419 Energy: 4.349520225793112 Energy: 4.318345250911728 Energy: 4.31878856843732 Energy: 4.203629002277023 Energy: 4.31878856843732 Energy: 4.318345250911728 Energy: 4.318788568435368 Energy: 4.32219245127098 Energy: 4.318669652425416 Energy: 4.18973651281379 Energy: 4.318669652423464 Energy: 4.32219245127098 Energy: 4.318669652423464 Energy: 4.316852069006994 Energy: 4.3221242207744055 Energy: 4.318769150326987 Energy: 4.322124220776358 Energy: 4.316852069006994 Energy: 4.322124220776358 minimum gb energy = 4.168034727900296 eV minimum distance = 2.13557505388737 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 5.842672419163471 Energy: 4.095453310617919 Energy: 4.774613942672464 Energy: 4.095453310618673 Energy: 5.842672419164225 Energy: 4.095453310623196 Energy: 5.1110008941543175 Energy: 4.208795362500123 Energy: 4.11473685403236 Energy: 4.208795362499369 Energy: 5.1110008941543175 Energy: 4.208795362499369 Energy: 4.083909468513665 Energy: 4.5329504545236174 Energy: 5.11429985664315 Energy: 4.532950454522864 Energy: 4.083909468512158 Energy: 4.532950454522864 Energy: 4.218956222699839 Energy: 4.102173458137823 Energy: 4.520971534724344 Energy: 4.102173458138577 Energy: 4.218956222700593 Energy: 4.10217345814084 Energy: 4.101916530414839 Energy: 4.41184124557168 Energy: 5.297488390338743 Energy: 4.411841245572434 Energy: 4.1019165304163465 Energy: 4.4118412455731875 Energy: 4.653900335954887 Energy: 4.086203751054885 Energy: 4.591753651111104 Energy: 4.0862037510579015 Energy: 4.65390033595338 Energy: 4.0862037510571465 Energy: 4.110205836845498 Energy: 4.647868538226432 Energy: 4.643246710415285 Energy: 4.647868538227186 Energy: 4.11020583684776 Energy: 4.647868538227939 Energy: 5.071511679966002 Energy: 4.100999830853426 Energy: 4.1029003759401546 Energy: 4.100999830854179 Energy: 5.071511679966002 Energy: 4.100999830855686 Energy: 4.59470805233637 Energy: 4.0891377183749835 Energy: 4.2142579388162975 Energy: 4.0891377183749835 Energy: 4.594708052337877 Energy: 4.0891377183734745 Energy: 6.045971543535363 Energy: 4.4250368761478 Energy: 4.113958883612399 Energy: 4.425036876150061 Energy: 6.045971543539132 Energy: 4.425036876148554 Energy: 4.525619770759753 Energy: 4.098034319256458 Energy: 4.5495577017726205 Energy: 4.098034319255704 Energy: 4.5256197707574914 Energy: 4.098034319259472 Energy: 4.221337992720335 Energy: 4.221356937227014 Energy: 4.108328885277282 Energy: 4.221356937228522 Energy: 4.221337992719581 Energy: 4.221356937230029 Energy: 4.12192528979944 Energy: 4.093739374446931 Energy: 5.985308323846926 Energy: 4.093739374446931 Energy: 4.121925289797178 Energy: 4.093739374449193 Energy: 4.208737936467555 Energy: 4.087550957930416 Energy: 5.98533941163199 Energy: 4.087550957923632 Energy: 4.208737936467555 Energy: 4.087550957928155 Energy: 4.209643214745532 Energy: 4.226236731770275 Energy: 4.548965978102418 Energy: 4.226236731769521 Energy: 4.209643214744025 Energy: 4.226236731771029 Energy: 4.525404363464608 Energy: 4.206546366540403 Energy: 4.10840900604893 Energy: 4.206546366541157 Energy: 4.525404363462347 Energy: 4.206546366542664 Energy: 4.5307209364624645 Energy: 4.110703253734004 Energy: 4.162268821715448 Energy: 4.110703253735512 Energy: 4.530720936460956 Energy: 4.110703253736266 Energy: 5.966448069719924 Energy: 4.552795992591359 Energy: 4.209442311122245 Energy: 4.552795992590605 Energy: 5.966448069719924 Energy: 4.552795992592113 Energy: 5.965283787261249 Energy: 4.0857203570288165 Energy: 4.110813441613668 Energy: 4.08572035703334 Energy: 5.965283787258234 Energy: 4.085720357032586 Energy: 4.100467670713802 Energy: 4.4866258397055025 Energy: 4.100813611546756 Energy: 4.486625839710026 Energy: 4.100467670714556 Energy: 4.486625839709272 Energy: 4.110898184168156 Energy: 4.085698643552496 Energy: 5.254231826331504 Energy: 4.08569864355928 Energy: 4.110898184165894 Energy: 4.085698643557772 Energy: 4.209457811174578 Energy: 4.55239238305124 Energy: 5.966264513175103 Energy: 4.5523923830482245 Energy: 4.209457811172316 Energy: 4.5523923830482245 Energy: 4.215841961836578 Energy: 4.1107308602018175 Energy: 4.530848163778326 Energy: 4.110730860202572 Energy: 4.2158419618358245 Energy: 4.110730860203325 Energy: 4.108407362705058 Energy: 4.101271809321917 Energy: 4.525368079984214 Energy: 4.1012718093204095 Energy: 4.108407362702042 Energy: 4.1012718093196545 Energy: 4.548942670297868 Energy: 4.227057434620557 Energy: 4.146949483389995 Energy: 4.227057434617541 Energy: 4.548942670297115 Energy: 4.227057434617541 Energy: 5.985111544569991 Energy: 4.087088684379228 Energy: 4.208703322172184 Energy: 4.087088684374704 Energy: 5.985111544572252 Energy: 4.08708868438149 Energy: 5.985300386964209 Energy: 4.093690910572913 Energy: 4.122455162626375 Energy: 4.093690910572913 Energy: 5.985300386964209 Energy: 4.09369091057442 Energy: 4.108331864895412 Energy: 4.2213118717424845 Energy: 4.221319865237844 Energy: 4.2213118717424845 Energy: 4.108331864896919 Energy: 4.2213118717424845 Energy: 4.549579574102804 Energy: 4.098053721921645 Energy: 4.525563226222461 Energy: 4.098053721920891 Energy: 4.549579574104311 Energy: 4.098053721923907 Energy: 4.113952747696167 Energy: 4.425036876146292 Energy: 6.045961088225091 Energy: 4.425036876147047 Energy: 4.113952747695413 Energy: 4.425036876147047 Energy: 4.214264682062197 Energy: 4.089212038351327 Energy: 4.59464457866454 Energy: 4.0892120383535895 Energy: 4.214264682061444 Energy: 4.089212038351327 Energy: 4.102906424240202 Energy: 4.100888156774079 Energy: 5.071063752942411 Energy: 4.100888156774834 Energy: 4.102906424239449 Energy: 4.1008881567755875 Energy: 4.642539905804506 Energy: 4.647828778886554 Energy: 4.110205951642635 Energy: 4.647828778886554 Energy: 4.642539905802999 Energy: 4.647828778886554 Energy: 4.592093806498657 Energy: 4.08584636457579 Energy: 4.653322009763273 Energy: 4.085846364577297 Energy: 4.592093806497149 Energy: 4.085846364575035 Energy: 5.297695639718345 Energy: 4.4118412455731875 Energy: 4.101605124335739 Energy: 4.411841245573943 Energy: 5.297695639719098 Energy: 4.4118412455746965 Energy: 4.520954814407224 Energy: 4.102110448409303 Energy: 4.218836507798807 Energy: 4.102110448413073 Energy: 4.520954814407224 Energy: 4.102110448413827 Energy: 5.114602646616605 Energy: 4.532950878798591 Energy: 4.083916179495374 Energy: 4.532950878797837 Energy: 5.114602646620374 Energy: 4.532950878797837 Energy: 4.1147250785482985 Energy: 4.208793588561558 Energy: 5.11096775475596 Energy: 4.208793588562312 Energy: 4.114725078549806 Energy: 4.208793588562312 Energy: 4.529076771510325 Energy: 4.095453310628472 Energy: 5.842672419164979 Energy: 4.09545331062395 Energy: 4.5290767714831865 Energy: 4.0954533106307345 Energy: 4.114736854030098 Energy: 4.208795362498615 Energy: 5.1110008941543175 Energy: 4.208795362498615 Energy: 4.114736854028591 Energy: 4.208795362498615 Energy: 5.114299856643903 Energy: 4.532950454524373 Energy: 4.083909468513665 Energy: 4.532950454521357 Energy: 5.11429985664315 Energy: 4.53295045452211 Energy: 4.520971534724344 Energy: 4.102173458137069 Energy: 4.218956222695316 Energy: 4.102173458136316 Energy: 4.520971534723589 Energy: 4.102173458135562 Energy: 5.297488390341004 Energy: 4.411841245570173 Energy: 4.101916530413331 Energy: 4.411841245570927 Energy: 5.297488390341759 Energy: 4.41184124557168 minimum gb energy = 4.083909468512158 eV minimum distance = 2.13295617134837 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 4.6611489864382305 Energy: 3.9067694799230157 Energy: 6.789023838781947 Energy: 3.906769479929153 Energy: 4.661148986437002 Energy: 3.906769479929153 Energy: 4.284002340320716 Energy: 4.005056390583309 Energy: 4.004473527775398 Energy: 4.005056390579627 Energy: 4.284002340324397 Energy: 4.005056390579627 Energy: 3.904498804227096 Energy: 4.660856151623953 Energy: 4.008461251589288 Energy: 4.660856151628862 Energy: 3.9044988042283237 Energy: 4.660856151628862 Energy: 4.741902973619772 Energy: 4.5639854379526925 Energy: 4.564939256676321 Energy: 4.563985437963739 Energy: 4.741902973620999 Energy: 4.563985437963739 Energy: 3.906093611511219 Energy: 4.314038848027146 Energy: 4.661907514290184 Energy: 4.314038848025919 Energy: 3.906093611511219 Energy: 4.314038848030828 Energy: 4.663773420611003 Energy: 4.564442164062417 Energy: 4.56462841296661 Energy: 4.564442164053824 Energy: 4.66377342061223 Energy: 4.564442164053824 Energy: 3.9062174774516647 Energy: 4.663964273064546 Energy: 4.005773420520575 Energy: 4.663964273065662 Energy: 3.906217477445528 Energy: 4.663964273068117 Energy: 3.9119967162652136 Energy: 4.258166117018925 Energy: 4.004655363983324 Energy: 4.258166117014016 Energy: 3.9119967162639866 Energy: 4.258166117014016 Energy: 4.66236741672225 Energy: 3.9122310374068117 Energy: 4.006153907350617 Energy: 3.9122310374031297 Energy: 4.66236741672225 Energy: 3.9122310374043563 Energy: 4.290471448130621 Energy: 4.006927512506739 Energy: 4.006908609242539 Energy: 4.006927512512877 Energy: 4.290471448133076 Energy: 4.006927512512877 Energy: 3.9064615288681566 Energy: 3.9037308071989805 Energy: 4.571078637248331 Energy: 3.9037308071989805 Energy: 3.906461528869384 Energy: 3.9037308071977526 Energy: 4.313478143549985 Energy: 4.566615545869387 Energy: 4.5753593868049025 Energy: 4.566615545870615 Energy: 4.313478143543849 Energy: 4.566615545873068 Energy: 3.906266159121939 Energy: 4.670414913041536 Energy: 4.5825442376050205 Energy: 4.670414913046446 Energy: 3.9062661591170293 Energy: 4.670414913045219 Energy: 4.670459342083067 Energy: 4.006448422384193 Energy: 4.575689107378168 Energy: 4.006448422381738 Energy: 4.670459342083067 Energy: 4.006448422381738 Energy: 3.905706943622114 Energy: 4.671051711528488 Energy: 4.004913260484543 Energy: 4.671051711522351 Energy: 3.9057069436245686 Energy: 4.671051711522351 Energy: 3.9092388670577325 Energy: 4.266791971432401 Energy: 4.007393087659923 Energy: 4.266791971436083 Energy: 3.909240676241084 Energy: 4.266791971433628 Energy: 4.671302209921539 Energy: 3.9038013323591922 Energy: 4.004531036361811 Energy: 3.9038013323567378 Energy: 4.671302209916629 Energy: 3.9038013323567378 Energy: 4.67075865644061 Energy: 4.674065128803713 Energy: 4.0082849543251315 Energy: 4.67406512880003 Energy: 4.6707586564430645 Energy: 4.674065128797577 Energy: 3.90628291627862 Energy: 3.904414301944556 Energy: 4.564740363864852 Energy: 3.9044143019506934 Energy: 3.9062829162688 Energy: 3.904414301948239 Energy: 4.6722290350746905 Energy: 4.698840059857704 Energy: 4.564598145962178 Energy: 4.698840059866296 Energy: 4.672229035073462 Energy: 4.698840059868751 Energy: 3.9066970678448794 Energy: 4.678714146181328 Energy: 4.564062493590837 Energy: 4.67871414618501 Energy: 3.9066970678485617 Energy: 4.67871414618501 Energy: 3.9093330825242028 Energy: 3.905836644975499 Energy: 4.565096886344835 Energy: 3.9058366449877737 Energy: 3.90933308253034 Energy: 3.905836644989001 Energy: 3.9051416820194884 Energy: 4.676711648289882 Energy: 4.006293599762062 Energy: 4.676711648293565 Energy: 3.9051416820170335 Energy: 4.676711648294792 Energy: 4.653606492722401 Energy: 4.595079363225543 Energy: 4.009257925600012 Energy: 4.5950793632267715 Energy: 4.653606492726084 Energy: 4.595079363223089 Energy: 4.65367511237824 Energy: 4.584878018272641 Energy: 4.006037352308044 Energy: 4.584878018276323 Energy: 4.653675112374557 Energy: 4.584878018276323 Energy: 3.9088570427344016 Energy: 4.672363155644021 Energy: 4.005077547048077 Energy: 4.6723631556427945 Energy: 3.9088570427331737 Energy: 4.6723631556452485 Energy: 3.9050056289047412 Energy: 3.9069778141532154 Energy: 4.588115645662805 Energy: 3.906977814151988 Energy: 3.9050056289022863 Energy: 3.9069778141544433 minimum gb energy = 3.9037308071977526 eV minimum distance = 2.19349555892162 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 4.839377016792071 Energy: 4.163479140186798 Energy: 4.805769279295495 Energy: 4.163479140185904 Energy: 4.839377016791177 Energy: 4.163479140185904 Energy: 4.135549726289786 Energy: 4.2469220535006675 Energy: 4.133150796707648 Energy: 4.246922053501562 Energy: 4.135549726291573 Energy: 4.246922053502456 Energy: 4.128540982843762 Energy: 4.7671040663347375 Energy: 4.13036681213755 Energy: 4.7671040663347375 Energy: 4.128540982844657 Energy: 4.767104066335632 Energy: 4.911554768863549 Energy: 4.1298025907483344 Energy: 4.673954959746337 Energy: 4.129802590749229 Energy: 4.911554768860865 Energy: 4.129802590747441 Energy: 4.131467902128285 Energy: 4.5281711241027285 Energy: 4.415543345077783 Energy: 4.528171124101834 Energy: 4.131467902129179 Energy: 4.528171124100941 Energy: 4.64827251103371 Energy: 4.644151755946701 Energy: 4.165483092042028 Energy: 4.6441517559458045 Energy: 4.648272511036393 Energy: 4.644151755944911 Energy: 4.163964142706871 Energy: 4.644716225154177 Energy: 4.2495182015774615 Energy: 4.644716225153283 Energy: 4.1639641427077665 Energy: 4.644716225154177 Energy: 4.478991579974202 Energy: 4.526158465076426 Energy: 4.130901747174363 Energy: 4.526158465076426 Energy: 4.478991579975096 Energy: 4.526158465077321 Energy: 4.680905072629462 Energy: 4.12808234879263 Energy: 4.775097262328602 Energy: 4.128082348791736 Energy: 4.680905072630355 Energy: 4.12808234879263 Energy: 5.037929999841172 Energy: 4.770150755330461 Energy: 4.13210439476387 Energy: 4.770150755330461 Energy: 5.03792999984296 Energy: 4.770150755330461 Energy: 4.137391546022233 Energy: 4.4264492648373155 Energy: 4.42912047820164 Energy: 4.426449264839104 Energy: 4.137391546023127 Energy: 4.426449264838211 Energy: 4.248100504852296 Energy: 4.162771152047655 Energy: 4.842732243336645 Energy: 4.162771152047655 Energy: 4.248100504854085 Energy: 4.16277115204676 Energy: 4.129493644477055 Energy: 4.252689019003898 Energy: 4.775408376005474 Energy: 4.252689019005687 Energy: 4.129493644478844 Energy: 4.252689019005687 Energy: 4.659029205786597 Energy: 4.128922425435602 Energy: 4.132442168897204 Energy: 4.128922425435602 Energy: 4.659029205788386 Energy: 4.128922425435602 Energy: 4.670092115053893 Energy: 4.129360018809788 Energy: 4.2492370244494815 Energy: 4.129360018811576 Energy: 4.67009211505568 Energy: 4.129360018810682 Energy: 4.650143898177955 Energy: 4.773872591052287 Energy: 4.136266418197325 Energy: 4.7738725910531805 Energy: 4.650143898180638 Energy: 4.773872591054075 Energy: 4.162689426092489 Energy: 4.163404245142502 Energy: 4.645363564396221 Energy: 4.163404245142502 Energy: 4.162689426093382 Energy: 4.163404245142502 Energy: 4.252218337960798 Energy: 4.64758383615806 Energy: 4.167760024609072 Energy: 4.64758383615806 Energy: 4.252218337962587 Energy: 4.647583836157166 Energy: 4.247282906580951 Energy: 4.249303660623969 Energy: 4.658807760515183 Energy: 4.24930366062218 Energy: 4.247282906580951 Energy: 4.2493036606248635 Energy: 4.13201156982754 Energy: 4.620055225825797 Energy: 4.670157714285793 Energy: 4.620055225829373 Energy: 4.132011569826646 Energy: 4.6200552258266905 Energy: 4.128785143629874 Energy: 4.775125829489835 Energy: 4.258918498893817 Energy: 4.7751258294907295 Energy: 4.128785143630768 Energy: 4.775125829489835 Energy: 4.686160644973192 Energy: 4.1291602839660575 Energy: 4.131401779507544 Energy: 4.129160283965163 Energy: 4.6861606449758755 Energy: 4.1291602839660575 Energy: 6.358459922629777 Energy: 4.1286593463695915 Energy: 4.249370429297776 Energy: 4.128659346367802 Energy: 6.3584599226288825 Energy: 4.128659346370486 Energy: 4.132077146796923 Energy: 4.941853677345666 Energy: 4.247468958754112 Energy: 4.941853677348349 Energy: 4.132077146796923 Energy: 4.941853677345666 Energy: 4.128923437825456 Energy: 4.620295852208139 Energy: 4.66022638389776 Energy: 4.620295852210822 Energy: 4.128923437825456 Energy: 4.620295852208139 Energy: 4.256994373019374 Energy: 4.817743096529191 Energy: 4.662304507549525 Energy: 4.8177430965282975 Energy: 4.25699437301848 Energy: 4.817743096539924 Energy: 4.247087545378684 Energy: 4.943929565666452 Energy: 4.6436158528804325 Energy: 4.943929565663769 Energy: 4.247087545378684 Energy: 4.943929565665559 Energy: 4.6472365461371945 Energy: 4.579046803030461 Energy: 4.647376360511374 Energy: 4.579046803031354 Energy: 4.647236546138089 Energy: 4.579046803031354 Energy: 4.643537928673496 Energy: 4.944196245496299 Energy: 4.170382959590457 Energy: 4.944196245495403 Energy: 4.643537928671706 Energy: 4.944196245494509 Energy: 4.662196010285066 Energy: 4.818303098315189 Energy: 4.256907831032749 Energy: 4.8183030983134 Energy: 4.6621960102841715 Energy: 4.8183030983134 Energy: 4.65984659426116 Energy: 4.619966527314549 Energy: 4.128974945342073 Energy: 4.619966527310972 Energy: 4.65984659426116 Energy: 4.619966527312761 Energy: 4.247480696993639 Energy: 4.941064000105576 Energy: 4.132050223974236 Energy: 4.9410640001046815 Energy: 4.247480696992745 Energy: 4.941064000106389 Energy: 4.249315180503764 Energy: 4.1286571540832115 Energy: 5.533375588912698 Energy: 4.1286571540832115 Energy: 4.2493151805046585 Energy: 4.1286571540832115 Energy: 4.131442259958961 Energy: 4.127289034270915 Energy: 4.665115188739233 Energy: 4.12728903427181 Energy: 4.131442259958066 Energy: 4.127289034267338 Energy: 4.258927631962411 Energy: 4.7750582242257895 Energy: 4.128856953959908 Energy: 4.775058224224896 Energy: 4.258927631961518 Energy: 4.775058224226684 Energy: 4.6702233560875674 Energy: 4.620058774309871 Energy: 4.132014529014993 Energy: 4.620058774313448 Energy: 4.6702233560875674 Energy: 4.620058774311659 minimum gb energy = 4.127289034267338 eV minimum distance = 2.16095669726182 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 4.223169551105886 Energy: 4.223662509254025 Energy: 4.9132489781412545 Energy: 4.2236625092442415 Energy: 4.223169551105886 Energy: 4.223662509254025 Energy: 4.223316281554678 Energy: 4.224794496160238 Energy: 4.224294966360034 Energy: 4.224794496160238 Energy: 4.223318815543957 Energy: 4.224794496160238 Energy: 4.224186460176501 Energy: 4.224589509623271 Energy: 4.22332456794948 Energy: 4.224589509623271 Energy: 4.2241864601732155 Energy: 4.224589509623271 Energy: 5.519674207867189 Energy: 4.223662509240955 Energy: 4.223169551105886 Energy: 4.223662509227811 Energy: 5.519674207978838 Energy: 4.223662509247452 Energy: 4.224294966356748 Energy: 4.224794496163524 Energy: 4.223316268616982 Energy: 4.224794496163524 Energy: 4.224294966353463 Energy: 4.224794496160238 Energy: 4.223320545333163 Energy: 4.224589509623271 Energy: 4.224186460176501 Energy: 4.224589509623271 Energy: 4.223319975506138 Energy: 4.224589509623271 Energy: 4.223169551105886 Energy: 4.22366250925731 Energy: 5.51967420785076 Energy: 4.223662509247452 Energy: 4.2231695511026 Energy: 4.223662509247452 Energy: 4.2233161199303755 Energy: 4.224794496163524 Energy: 4.224294966353463 Energy: 4.224794496163524 Energy: 4.2233178560225255 Energy: 4.224794496163524 Energy: 4.224186460176501 Energy: 4.224589509623271 Energy: 4.223323885529347 Energy: 4.224589509623271 Energy: 4.224186460176501 Energy: 4.224589509623271 Energy: 5.519674207854045 Energy: 4.223662509234384 Energy: 4.2231695511026 Energy: 4.223662509231097 Energy: 5.5196742078573315 Energy: 4.22366250923767 minimum gb energy = 4.2231695511026 eV minimum distance = 2.13271163704054 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 5.768868205397025 Energy: 5.545627739425329 Energy: 4.287931216805918 Energy: 5.545627739428279 Energy: 5.768868205397025 Energy: 5.545627739427296 Energy: 4.011864167544116 Energy: 4.135366623852337 Energy: 3.930174177357928 Energy: 4.13536662385332 Energy: 4.011864167543132 Energy: 4.13536662385332 Energy: 4.076009896738795 Energy: 4.075846062718606 Energy: 4.7045799009426705 Energy: 4.075846062715656 Energy: 4.076009896738795 Energy: 4.075846062714673 Energy: 4.163277459446759 Energy: 5.659063205142931 Energy: 4.015052205186726 Energy: 5.659063205147847 Energy: 4.163277459448726 Energy: 5.659063205147847 Energy: 3.9830799413676434 Energy: 3.9760104687376834 Energy: 3.9259037241417074 Energy: 3.9760104687396502 Energy: 3.983079941368627 Energy: 3.9760104687406335 Energy: 4.670792478192136 Energy: 4.435474633762503 Energy: 3.936320914384874 Energy: 4.435474633765453 Energy: 4.670792478194103 Energy: 4.435474633765453 Energy: 3.9827335365284324 Energy: 3.975832224753357 Energy: 4.142410088494241 Energy: 3.9758322247543405 Energy: 3.982733536527449 Energy: 3.975832224753357 Energy: 3.9806537746308215 Energy: 5.659195936822336 Energy: 4.010704129896517 Energy: 5.659195936822336 Energy: 3.9806537746249218 Energy: 5.659195936822336 Energy: 4.073388818336334 Energy: 4.074624145523048 Energy: 5.481778979703869 Energy: 4.074624145520099 Energy: 4.073388818336334 Energy: 4.074624145520099 Energy: 4.075067052595891 Energy: 4.140696888404163 Energy: 3.9276007566518363 Energy: 4.140696888405145 Energy: 4.075067052597857 Energy: 4.140696888406128 Energy: 5.3599903855800735 Energy: 4.393393077118265 Energy: 4.141839478863753 Energy: 4.393393077118265 Energy: 5.359990385582039 Energy: 4.393393077118265 Energy: 5.359426817320991 Energy: 4.422962718441214 Energy: 3.926920540919772 Energy: 4.422962718440232 Energy: 5.359426817320009 Energy: 4.422962718440232 Energy: 4.075860592160099 Energy: 4.509625870983709 Energy: 3.9246816049463873 Energy: 4.50962587098961 Energy: 4.075860592161082 Energy: 4.509625870990593 Energy: 4.078630347460383 Energy: 5.131480652775304 Energy: 4.013811304302634 Energy: 5.131480652779237 Energy: 4.0786303474593995 Energy: 5.131480652780221 Energy: 3.981399376598261 Energy: 4.407716913001357 Energy: 4.011868968149281 Energy: 4.407716913002339 Energy: 3.981399376600228 Energy: 4.407716913002339 Energy: 3.9835134307166418 Energy: 4.136355007517578 Energy: 3.9278843177436222 Energy: 4.136355007514628 Energy: 3.9835134307166418 Energy: 4.136355007514628 Energy: 3.9814257034145055 Energy: 4.135745673628919 Energy: 3.9253556527374864 Energy: 4.135745673628919 Energy: 3.9814257034125387 Energy: 4.135745673629903 Energy: 3.9837194148319512 Energy: 4.462899453763828 Energy: 4.008909995088441 Energy: 4.46289945376186 Energy: 3.9837194148309685 Energy: 4.46289945376186 Energy: 4.073842390145976 Energy: 5.1376732750577565 Energy: 4.00963743374875 Energy: 5.137673275061689 Energy: 4.073842390150893 Energy: 5.1376732750626735 Energy: 4.074659876478343 Energy: 4.134825117424617 Energy: 3.923923570344211 Energy: 4.134825117427567 Energy: 4.07465987647736 Energy: 4.13482511742855 Energy: 5.35987648520726 Energy: 4.398036635478499 Energy: 3.926986040885616 Energy: 4.398036635478499 Energy: 5.359876485208242 Energy: 4.398036635476532 Energy: 5.360234200565223 Energy: 4.409445627021221 Energy: 4.13925141996326 Energy: 4.409445627020237 Energy: 5.360234200565223 Energy: 4.409445627019254 Energy: 4.076425984193965 Energy: 4.136921537508801 Energy: 3.9277081964320937 Energy: 4.136921537504867 Energy: 4.076425984200849 Energy: 4.136921537507818 Energy: 4.074508429846089 Energy: 4.077036254475747 Energy: 5.481230691567268 Energy: 4.077036254474764 Energy: 4.0745084298480565 Energy: 4.07703625447378 Energy: 3.986362240779617 Energy: 4.448215413258805 Energy: 4.0275407897292155 Energy: 4.448215413255855 Energy: 3.986362240779617 Energy: 4.448215413255855 Energy: 3.974108819140261 Energy: 5.376452966710967 Energy: 4.433533701594171 Energy: 5.3764529667099845 Energy: 3.974108819137311 Energy: 5.376452966710967 Energy: 3.9839134973801373 Energy: 4.136374505333607 Energy: 3.9346171573626187 Energy: 4.136374505329673 Energy: 3.983913497381121 Energy: 4.13637450532869 Energy: 3.9737938806815127 Energy: 4.41934796681829 Energy: 4.7048689990136 Energy: 4.41934796681829 Energy: 3.9737938806795463 Energy: 4.41934796681829 Energy: 4.504527546612399 Energy: 4.770392178204623 Energy: 4.0172049103785445 Energy: 4.770392178205605 Energy: 4.504527546610433 Energy: 4.770392178203639 Energy: 4.078972844545857 Energy: 4.0761057554098645 Energy: 4.705437758147222 Energy: 4.076105755407897 Energy: 4.078972844545857 Energy: 4.076105755406914 Energy: 4.092018721845447 Energy: 4.136778963668807 Energy: 3.9271325190037896 Energy: 4.13677896367274 Energy: 4.092018721847414 Energy: 4.13677896367274 Energy: 5.359753727064887 Energy: 5.546660041745146 Energy: 4.134914531921451 Energy: 5.546660041744162 Energy: 5.359753727065871 Energy: 5.546660041744162 Energy: 3.983400425426625 Energy: 4.134849952738351 Energy: 3.9267366731446707 Energy: 4.134849952737368 Energy: 3.9834004254276087 Energy: 4.134849952737368 minimum gb energy = 3.923923570344211 eV minimum distance = 2.12820194443585 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 3.751070575543226 Energy: 5.805151507571833 Energy: 3.974512995482141 Energy: 5.805151507573235 Energy: 3.751070575544627 Energy: 5.805151507571833 Energy: 3.60880808731749 Energy: 3.7503856043440886 Energy: 3.627515696985823 Energy: 3.750385604346891 Energy: 3.608808087316089 Energy: 3.750385604346891 Energy: 3.73821354422003 Energy: 4.201802797304997 Energy: 4.562602066701767 Energy: 4.201802797304997 Energy: 3.73821354422003 Energy: 4.201802797304997 Energy: 3.808984023659865 Energy: 5.112407046834758 Energy: 3.6104170929297554 Energy: 5.112407046836159 Energy: 3.8089840236640686 Energy: 5.112407046834758 Energy: 3.623104073602427 Energy: 5.8656513215091435 Energy: 3.7520641571234354 Energy: 5.865651321503538 Energy: 3.623104073601026 Energy: 5.865651321504939 Energy: 3.6155289965100357 Energy: 3.7529466820915105 Energy: 3.6243858487094163 Energy: 3.7529466820887083 Energy: 3.6155289965114368 Energy: 3.7529466820887083 Energy: 3.715788520054493 Energy: 3.7538655734183775 Energy: 3.7550345423977287 Energy: 3.753865573415575 Energy: 3.715788520054493 Energy: 3.753865573416976 Energy: 3.7643658913768148 Energy: 4.886506339323481 Energy: 5.53095405346135 Energy: 4.886506339324883 Energy: 3.7643658913768148 Energy: 4.886506339323481 Energy: 3.7516249917662408 Energy: 3.979323378662193 Energy: 5.537391779804174 Energy: 3.9793233786607916 Energy: 3.7516249917690425 Energy: 3.979323378662193 Energy: 3.7498855274569163 Energy: 3.7544702134417007 Energy: 3.7516491092852555 Energy: 3.7544702134403 Energy: 3.749885527454114 Energy: 3.7544702134388985 Energy: 3.6077621626818703 Energy: 3.7532399848273217 Energy: 3.752865276387558 Energy: 3.7532399848315254 Energy: 3.6077621626776666 Energy: 3.753239984830124 Energy: 3.609671490640653 Energy: 3.9205311596411803 Energy: 3.609393364142334 Energy: 3.920531159636977 Energy: 3.6096714906392515 Energy: 3.920531159636977 Energy: 3.75291603529131 Energy: 3.7529599417113464 Energy: 3.607307930579794 Energy: 3.752959941708544 Energy: 3.752916035292711 Energy: 3.752959941708544 Energy: 3.7518232700802225 Energy: 3.754733550208463 Energy: 3.7498033228283454 Energy: 3.7547335502112658 Energy: 3.7518232700816236 Energy: 3.7547335502112658 Energy: 5.537805550068655 Energy: 3.9790806157731975 Energy: 3.7519943111928242 Energy: 3.9790806157731975 Energy: 5.537805550068655 Energy: 3.9790806157731975 Energy: 5.530898973743211 Energy: 4.886716576300428 Energy: 3.765477031145663 Energy: 4.8867165762976255 Energy: 5.530898973744612 Energy: 4.8867165762976255 Energy: 3.7549630443980853 Energy: 3.7538654168162657 Energy: 3.766592132495202 Energy: 3.7538654168148646 Energy: 3.754963044395283 Energy: 3.7538654168148646 Energy: 3.624389240836614 Energy: 3.7530165235489075 Energy: 3.616351322225403 Energy: 3.75301652355171 Energy: 3.6243892408394163 Energy: 3.75301652355171 Energy: 3.7516126366171227 Energy: 5.8600058614908885 Energy: 3.6231089272914203 Energy: 5.860005861492288 Energy: 3.7516126366241287 Energy: 5.8600058614908885 Energy: 3.6104358374702765 Energy: 5.112395466561925 Energy: 3.7717394141787435 Energy: 5.112395466563326 Energy: 3.610435837471678 Energy: 5.112395466563326 Energy: 4.564044923899149 Energy: 4.201802797297991 Energy: 3.7680598347782746 Energy: 4.2018027972993925 Energy: 4.5640449238935465 Energy: 4.2018027972993925 Energy: 3.6275004605259107 Energy: 3.750401814307784 Energy: 3.6083553297739615 Energy: 3.7504018143091855 Energy: 3.6275004605245096 Energy: 3.7504018143091855 Energy: 3.9417831412578623 Energy: 5.805151507571833 Energy: 3.751070575541825 Energy: 5.805151507571833 Energy: 3.9417831412592634 Energy: 5.805151507571833 minimum gb energy = 3.607307930579794 eV minimum distance = 2.10450310423931 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 4.7899099920335 Energy: 3.2423062458197216 Energy: 6.0307442528613615 Energy: 3.2423062458197216 Energy: 4.789909992029946 Energy: 3.242306245822388 Energy: 5.067405684594659 Energy: 4.806586656108349 Energy: 3.2805244570183247 Energy: 4.806586656108349 Energy: 5.06740568459377 Energy: 4.806586656109238 Energy: 3.277027846599979 Energy: 3.8050333526850175 Energy: 5.310690996226344 Energy: 3.805033352686795 Energy: 3.2770278466008675 Energy: 3.805033352685906 Energy: 3.8176415016720298 Energy: 4.621847188473569 Energy: 3.2362761077673086 Energy: 4.621847188476234 Energy: 3.8176415016693626 Energy: 4.6218471884771235 Energy: 4.50262979428706 Energy: 4.63147998423406 Energy: 4.541924588457231 Energy: 4.631479984235837 Energy: 4.502629794284394 Energy: 4.631479984235837 Energy: 4.503589179409053 Energy: 3.4894003171692365 Energy: 3.2767274296744935 Energy: 3.48940031716657 Energy: 4.503589179408164 Energy: 3.4894003171674584 Energy: 3.2784441341791712 Energy: 3.473248986748495 Energy: 3.4688124815698194 Energy: 3.4732489867476066 Energy: 3.278444134180949 Energy: 3.473248986748495 Energy: 3.4664775679280155 Energy: 3.288108784658273 Energy: 4.503613475018058 Energy: 3.288108784659162 Energy: 3.4664775679297937 Energy: 3.2881087846609405 Energy: 4.632230668977879 Energy: 4.245844115464016 Energy: 4.504562784859782 Energy: 4.245844115463127 Energy: 4.632230668978768 Energy: 4.245844115463127 Energy: 3.2364320399904787 Energy: 3.479146435788813 Energy: 3.2766699904177106 Energy: 3.4791464357897013 Energy: 3.2364320400002557 Energy: 3.479146435788813 Energy: 3.281016081445741 Energy: 3.8481119473840817 Energy: 3.467492821100958 Energy: 3.8481119473867484 Energy: 3.2810160814430747 Energy: 3.8481119473876375 Energy: 3.273714628047766 Energy: 3.6408030654479364 Energy: 5.060577467914489 Energy: 3.6408030654479364 Energy: 3.273714628040655 Energy: 3.640803065448826 Energy: 4.818867449655304 Energy: 4.518420505514813 Energy: 4.515435775974868 Energy: 4.518420505514813 Energy: 4.818867449657082 Energy: 4.518420505514813 Energy: 3.2811939649787183 Energy: 4.874066054681423 Energy: 3.359404848216338 Energy: 4.874066054682313 Energy: 3.2811939649769406 Energy: 4.874066054680536 Energy: 4.542515192289376 Energy: 3.814077377362509 Energy: 3.2922575453584177 Energy: 3.8140773773660643 Energy: 4.5425151922929325 Energy: 3.8140773773660643 Energy: 3.235068964119469 Energy: 4.539640582711839 Energy: 4.2509633438935674 Energy: 4.539640582708283 Energy: 3.23506896411858 Energy: 4.539640582707394 Energy: 3.481345134320318 Energy: 3.2911319404336483 Energy: 4.7431464217461325 Energy: 3.2911319404363146 Energy: 3.481345122685887 Energy: 3.2911319404372033 Energy: 3.295267396511976 Energy: 3.467088799708361 Energy: 4.122929408826832 Energy: 3.4670887997065836 Energy: 3.2952673965146424 Energy: 3.4670887997065836 Energy: 3.9301569163543273 Energy: 3.464781136908164 Energy: 3.29190649537837 Energy: 3.4647811369072756 Energy: 3.9301569163552164 Energy: 3.4647811369063866 Energy: 4.504996790470081 Energy: 4.630813263690584 Energy: 3.4758050789341404 Energy: 4.630813263688807 Energy: 4.504996790470081 Energy: 4.630813263689694 Energy: 5.353808326646999 Energy: 4.28357529034321 Energy: 3.232651862694331 Energy: 4.283575290345877 Energy: 5.353808326647888 Energy: 4.283575290346765 Energy: 3.295846877869706 Energy: 3.4681601004571947 Energy: 4.623885594600822 Energy: 3.4681601004563056 Energy: 3.295846877867039 Energy: 3.4681601004571947 Energy: 3.4733744191570195 Energy: 4.181247676885213 Energy: 3.2923757954654818 Energy: 4.181247676877214 Energy: 3.473374419155242 Energy: 4.181247676877214 Energy: 4.515999624635918 Energy: 4.328317164917231 Energy: 3.2757501891536855 Energy: 4.3283171649190075 Energy: 4.515999624635918 Energy: 4.328317164922564 Energy: 5.058418500270196 Energy: 3.620035637424471 Energy: 3.2778774236407955 Energy: 3.620035637422693 Energy: 5.058418500271084 Energy: 3.62003563741736 Energy: 3.4675242873964662 Energy: 3.4657298770623473 Energy: 3.2739948162216055 Energy: 3.4657298770694585 Energy: 3.4675242873946885 Energy: 3.465729877068569 Energy: 3.2781031545395205 Energy: 3.473890767803454 Energy: 4.6219259855294315 Energy: 3.4738907678043427 Energy: 3.2781031545404096 Energy: 3.4738907678052318 Energy: 4.508547416149297 Energy: 4.332617041187047 Energy: 3.2355401039248637 Energy: 4.332617041188826 Energy: 4.508547416148409 Energy: 4.332617041188826 Energy: 4.502818347345878 Energy: 3.2758581206603834 Energy: 3.4737456682912597 Energy: 3.2758581206577175 Energy: 4.5028183473441 Energy: 3.275858120663939 Energy: 3.4665058400126556 Energy: 3.4670168715278105 Energy: 3.2961693765279394 Energy: 3.4670168715313663 Energy: 3.4665058400126556 Energy: 3.4670168715304777 Energy: 3.277225571227292 Energy: 4.230397453886416 Energy: 5.351880340403307 Energy: 4.230397453885527 Energy: 3.2772255712255136 Energy: 4.230397453886416 Energy: 4.541644695553634 Energy: 3.2907065007838328 Energy: 4.504455297592948 Energy: 3.2907065007829437 Energy: 4.5416446955563 Energy: 3.2907065007847223 Energy: 3.2316563854611005 Energy: 4.823087512306469 Energy: 4.90931364870717 Energy: 4.823087512307358 Energy: 3.2316563854602114 Energy: 4.823087512307358 Energy: 4.123354504142705 Energy: 3.8076882317656815 Energy: 3.295705452049141 Energy: 3.8076882317674596 Energy: 4.1233545041542605 Energy: 3.8076882317665706 Energy: 3.2768794497555893 Energy: 5.040491560193877 Energy: 4.249465990940802 Energy: 5.040491560192099 Energy: 3.2768794497564775 Energy: 5.040491560191211 Energy: 4.805696961611379 Energy: 3.2422599895204613 Energy: 4.414051563684602 Energy: 3.242259989517795 Energy: 4.8056969616149345 Energy: 3.242259989518684 Energy: 3.2914872977987617 Energy: 4.432634239072081 Energy: 5.064531043124714 Energy: 4.4326342390711915 Energy: 3.2914872977978726 Energy: 4.432634239072969 minimum gb energy = 3.2316563854602114 eV minimum distance = 2.06741877500843 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 2.277291730994168 Energy: 2.5928604980888146 Energy: 6.50567165255355 Energy: 2.5928604980888146 Energy: 2.2772932346806236 Energy: 2.592860498086387 Energy: 5.204599027947192 Energy: 2.5932057282741803 Energy: 2.595566817813047 Energy: 2.5932057282669 Energy: 5.204598446382412 Energy: 2.5932057282669 Energy: 2.2780049472835007 Energy: 3.8378500069352444 Energy: 2.594482158002525 Energy: 3.8378500069352444 Energy: 2.2780120629476435 Energy: 3.8378500069328174 Energy: 5.222183966605938 Energy: 2.5934322169157866 Energy: 2.5963943570642725 Energy: 2.5934322169182136 Energy: 5.222460722681849 Energy: 2.5934322169182136 Energy: 2.277781680778274 Energy: 2.592236274058159 Energy: 2.6013336053082874 Energy: 2.592236274055732 Energy: 2.2777817716356292 Energy: 2.592236274055732 Energy: 2.277785707342737 Energy: 2.6863104635363757 Energy: 2.598135837435689 Energy: 2.686310463538803 Energy: 2.2777857115587303 Energy: 2.6863104635363757 Energy: 5.256067870932455 Energy: 2.592792498861174 Energy: 2.598071187418683 Energy: 2.592792498858747 Energy: 5.256124649380036 Energy: 2.59279249885632 Energy: 2.2780049379708984 Energy: 2.593537418930373 Energy: 2.6013426602674 Energy: 2.5935374189327995 Energy: 2.2780034750034837 Energy: 2.593537418930373 Energy: 5.204206034209346 Energy: 2.687046435955335 Energy: 2.5961151007015837 Energy: 2.687046435955335 Energy: 5.204206034209346 Energy: 2.687046435955335 Energy: 2.277494253406198 Energy: 2.5930823312865043 Energy: 2.594888727534873 Energy: 2.5930823312889317 Energy: 2.2774788572404017 Energy: 2.593082331284078 Energy: 5.20178080290891 Energy: 2.59297492817547 Energy: 2.595386738952698 Energy: 2.5929749281730428 Energy: 5.201799920142007 Energy: 2.59297492817547 Energy: 2.2783087594262095 Energy: 3.837614669176003 Energy: 4.640326553255467 Energy: 3.8376146691784303 Energy: 2.2783167433090057 Energy: 3.8376146691857107 Energy: 5.201797585132986 Energy: 2.593005066227189 Energy: 2.595386517103486 Energy: 2.5930050662247623 Energy: 5.2018114177587735 Energy: 2.5930050662247623 Energy: 2.27757725084174 Energy: 2.592972066293088 Energy: 2.5949451640186454 Energy: 2.592972066293088 Energy: 2.2775835295361437 Energy: 2.592972066293088 minimum gb energy = 2.277291730994168 eV minimum distance = 2.23505401871087 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 3.8512510286505606 Energy: 3.946804258519131 Energy: 4.428032119545885 Energy: 3.946804258519131 Energy: 3.8512510286537585 Energy: 3.946804258519131 Energy: 3.9158567616666184 Energy: 4.180016957896907 Energy: 3.93901656392168 Energy: 4.180016957897974 Energy: 3.915856761665552 Energy: 4.180016957899039 Energy: 3.914851871362764 Energy: 4.180383332938922 Energy: 3.9161045441494555 Energy: 4.180383332941053 Energy: 3.914851871361698 Energy: 4.180383332939987 Energy: 4.179221480376132 Energy: 4.1786003879744875 Energy: 3.913055266773443 Energy: 4.178600387975554 Energy: 4.179221480375064 Energy: 4.1786003879744875 Energy: 3.9393629724450925 Energy: 4.36894730419347 Energy: 4.186414028603532 Energy: 4.36894730419347 Energy: 3.9393629724450925 Energy: 4.368947304194536 Energy: 3.8566437649951184 Energy: 4.286170473397444 Energy: 3.92282411563226 Energy: 4.286170473396378 Energy: 3.8566437649940526 Energy: 4.286170473396378 Energy: 4.181189760585258 Energy: 4.361827082401987 Energy: 3.883162072704976 Energy: 4.36182708240412 Energy: 4.181189760585258 Energy: 4.36182708240412 Energy: 3.9168641745005086 Energy: 4.243727970444597 Energy: 3.9162612632172373 Energy: 4.243727970444597 Energy: 3.9168641744994424 Energy: 4.243727970445662 Energy: 3.9180048665878764 Energy: 4.668444685911261 Energy: 3.9132043334081694 Energy: 4.668444685912327 Energy: 3.9180048665878764 Energy: 4.668444685912327 Energy: 3.9581526829135 Energy: 4.179399687547251 Energy: 4.178602205322457 Energy: 4.179399687548316 Energy: 3.9581526829145663 Energy: 4.179399687548316 Energy: 4.185157618265583 Energy: 3.9194005143571977 Energy: 3.8767510190687724 Energy: 3.919400514358264 Energy: 4.185157618267715 Energy: 3.919400514358264 Energy: 3.9165021436332146 Energy: 4.281550902678591 Energy: 3.86861253044358 Energy: 4.281550902678591 Energy: 3.9165021436321488 Energy: 4.281550902677525 Energy: 3.9156841871606907 Energy: 4.183674806090318 Energy: 4.0468016366777295 Energy: 4.183674806091384 Energy: 3.915684187157492 Energy: 4.183674806090318 Energy: 4.179626156777566 Energy: 4.66783888687962 Energy: 4.180748504194722 Energy: 4.667838886878553 Energy: 4.179626156778633 Energy: 4.667838886878553 Energy: 3.91299852658514 Energy: 4.459544781757684 Energy: 3.9193055723143475 Energy: 4.45954478499827 Energy: 3.91299852658514 Energy: 4.459544790374422 Energy: 4.184367362681545 Energy: 3.922909770793549 Energy: 3.887234427381263 Energy: 3.9229097707924834 Energy: 4.184367362681545 Energy: 3.922909770793549 Energy: 3.8827530617430033 Energy: 4.35371621146138 Energy: 3.9145210718606815 Energy: 4.353716211460314 Energy: 3.8827530617419375 Energy: 4.35371621146138 Energy: 3.923101968235435 Energy: 4.460630344689981 Energy: 3.9543218153001067 Energy: 4.460630344688915 Energy: 3.923101968234369 Energy: 4.460630344688915 Energy: 4.18830258625817 Energy: 4.1794920724641065 Energy: 4.178535961427462 Energy: 4.179492072461974 Energy: 4.18830258625817 Energy: 4.179492072463041 Energy: 3.9127832528977207 Energy: 4.1876896889279145 Energy: 3.917172507659391 Energy: 4.187689688928981 Energy: 3.9127832528977207 Energy: 4.1876896889279145 Energy: 3.864817680759672 Energy: 4.279931277747794 Energy: 3.91507138493959 Energy: 4.27993127774886 Energy: 3.864817680756474 Energy: 4.27993127774886 Energy: 3.87670664864663 Energy: 3.91686198169344 Energy: 4.180587809454804 Energy: 3.9168619816902415 Energy: 3.8767066486476964 Energy: 3.9168619816881085 Energy: 4.182312103885871 Energy: 4.181303590974655 Energy: 3.9601618804898475 Energy: 4.181303590976786 Energy: 4.1823121038837385 Energy: 4.181303590975721 Energy: 3.9127391317525255 Energy: 4.666834013150727 Energy: 3.9154319425413218 Energy: 4.666834013150727 Energy: 3.9127391317525255 Energy: 4.666834013150727 Energy: 3.9184746041039555 Energy: 4.244713371115148 Energy: 3.9143724810957834 Energy: 4.244713371115148 Energy: 3.9184746041018235 Energy: 4.244713371115148 Energy: 3.869836049293453 Energy: 4.3658349539693955 Energy: 4.178981931387298 Energy: 4.3658349539683305 Energy: 3.869836049293453 Energy: 4.3658349539693955 Energy: 3.9285196828853137 Energy: 4.28392029688383 Energy: 3.9384852979149243 Energy: 4.28392029688383 Energy: 3.9285196828842475 Energy: 4.28392029688383 Energy: 4.181178350131141 Energy: 4.367209079958069 Energy: 3.857026019206991 Energy: 4.3672090799570045 Energy: 4.181178350131141 Energy: 4.3672090799570045 Energy: 3.9209929837935884 Energy: 4.17885460030215 Energy: 4.2434121750411675 Energy: 4.178854600301084 Energy: 3.9209929837925226 Energy: 4.17885460030215 Energy: 3.919275460069422 Energy: 4.249414814395347 Energy: 3.9175830449418085 Energy: 4.249414814394281 Energy: 3.919275460069422 Energy: 4.249414814394281 Energy: 3.9502980067967663 Energy: 4.179157970668043 Energy: 3.9166563349003054 Energy: 4.179157970668043 Energy: 3.9502980067988984 Energy: 4.1791579706648445 minimum gb energy = 3.8512510286505606 eV minimum distance = 2.08281158231396 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 4.580750869390949 Energy: 4.587431109358627 Energy: 5.040116584340499 Energy: 4.587431109360523 Energy: 4.580750869390949 Energy: 4.587431109362422 Energy: 4.4378232745655986 Energy: 4.648528667621876 Energy: 4.645722394781955 Energy: 4.648528667621876 Energy: 4.4378232745655986 Energy: 4.648528667619979 Energy: 4.649270742207368 Energy: 5.041823435801728 Energy: 4.6455963255254735 Energy: 5.041823435805523 Energy: 4.649270742209265 Energy: 5.041823435805523 Energy: 4.647469998685636 Energy: 6.632035255699696 Energy: 4.647525173876469 Energy: 6.6320352557034905 Energy: 4.647469998687533 Energy: 6.632035255701593 Energy: 4.64557446240421 Energy: 5.042135871602033 Energy: 4.645752346788168 Energy: 5.04213587160393 Energy: 4.64557446240421 Energy: 5.042135871602033 Energy: 4.645672807498454 Energy: 4.648495968856586 Energy: 4.438300754695235 Energy: 4.648495968856586 Energy: 4.645672807498454 Energy: 4.6484959688546885 Energy: 5.031530099667281 Energy: 4.587431109358627 Energy: 4.580750869390949 Energy: 4.587431109360523 Energy: 5.031530099659692 Energy: 4.587431109360523 Energy: 4.645722394781955 Energy: 4.648528667623774 Energy: 4.4378232745655986 Energy: 4.648528667627567 Energy: 4.645722394783852 Energy: 4.648528667623774 Energy: 4.6455963255254735 Energy: 5.0418234358093175 Energy: 4.649270742207368 Energy: 5.041823435805523 Energy: 4.6455963255254735 Energy: 5.04182343580742 Energy: 4.647525173878366 Energy: 6.632035255699696 Energy: 4.647469998685636 Energy: 6.632035255699696 Energy: 4.647525173880263 Energy: 6.632035255699696 Energy: 4.645752346791962 Energy: 5.042135871602033 Energy: 4.64557446240421 Energy: 5.042135871602033 Energy: 4.645752346791962 Energy: 5.042135871600135 Energy: 4.438300754693338 Energy: 4.648495968856586 Energy: 4.645672807502248 Energy: 4.648495968856586 Energy: 4.438300754693338 Energy: 4.6484959688546885 Energy: 4.580750869390949 Energy: 4.587431109360523 Energy: 5.031530099667281 Energy: 4.587431109360523 Energy: 4.580750869390949 Energy: 4.587431109358627 Energy: 4.4378232745655986 Energy: 4.648528667623774 Energy: 4.645722394781955 Energy: 4.6485286676180815 Energy: 4.437823274569393 Energy: 4.648528667621876 Energy: 4.649270742209265 Energy: 5.041823435805523 Energy: 4.6455963255254735 Energy: 5.041823435805523 Energy: 4.649270742207368 Energy: 5.041823435803626 Energy: 4.647469998687533 Energy: 6.6320352557034905 Energy: 4.647525173878366 Energy: 6.632035255699696 Energy: 4.647469998685636 Energy: 6.632035255699696 Energy: 4.64557446240421 Energy: 5.042135871602033 Energy: 4.645752346790065 Energy: 5.042135871600135 Energy: 4.64557446240421 Energy: 5.042135871602033 minimum gb energy = 4.4378232745655986 eV minimum distance = 2.09673581509401 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 4.991149200531992 Energy: 4.8759121650137045 Energy: 5.5646755985219984 Energy: 4.8759121650137045 Energy: 4.991149200531992 Energy: 4.8759121650137045 Energy: 4.777841178043114 Energy: 4.900035940429458 Energy: 4.868401318709705 Energy: 4.900035940423261 Energy: 4.777841178044662 Energy: 4.900035940423261 Energy: 5.061946403444151 Energy: 5.063947635814656 Energy: 4.874031011245143 Energy: 5.063947635813106 Energy: 5.061946403444151 Energy: 5.063947635811557 Energy: 5.062269110251397 Energy: 5.12139257436413 Energy: 4.922988296329461 Energy: 5.121392574368707 Energy: 5.062269110251397 Energy: 5.1213925743702555 Energy: 4.7763205042387 Energy: 5.5912508038247095 Energy: 4.8724417628876155 Energy: 5.5912508038278075 Energy: 4.776320504246445 Energy: 5.5912508038262585 Energy: 5.062060299138578 Energy: 5.063750350432318 Energy: 4.96848366746673 Energy: 5.063750350429219 Energy: 5.062060299138578 Energy: 5.063750350429219 Energy: 5.073544853070732 Energy: 5.069311582370517 Energy: 4.875816747298469 Energy: 5.069311582375163 Energy: 5.073544853069183 Energy: 5.069311582375163 Energy: 4.786625614788484 Energy: 5.126312770723894 Energy: 4.868419747416183 Energy: 5.126312770723894 Energy: 4.786625614783836 Energy: 5.126312770723894 Energy: 4.7660910688799705 Energy: 4.870237934325173 Energy: 4.92693131886306 Energy: 4.870237934325173 Energy: 4.7660910688799705 Energy: 4.870237934325173 Energy: 5.174530617057566 Energy: 5.071021221890669 Energy: 4.868931013056963 Energy: 5.071021221895316 Energy: 5.174530617059116 Energy: 5.071021221895316 Energy: 5.071705158169149 Energy: 5.20459465589427 Energy: 4.954849467073527 Energy: 5.204594655892721 Energy: 5.071705158169149 Energy: 5.204594655892721 Energy: 5.063067432080173 Energy: 5.064215483706577 Energy: 4.987489580392369 Energy: 5.064215483705028 Energy: 5.063067432078623 Energy: 5.064215483705028 Energy: 5.068112776974909 Energy: 5.065371848595712 Energy: 4.982730376331826 Energy: 5.065371848594165 Energy: 5.068112776976457 Energy: 5.065371848595712 Energy: 5.06531672596334 Energy: 5.0629547378563045 Energy: 4.921809703267651 Energy: 5.062954737853207 Energy: 5.06531672596334 Energy: 5.062954737853207 Energy: 5.172267725967255 Energy: 5.069696061254115 Energy: 4.9209235322123215 Energy: 5.069696061252565 Energy: 5.172267725967255 Energy: 5.069696061252565 Energy: 4.784226018237871 Energy: 5.09855932805385 Energy: 4.924737865942035 Energy: 5.098559328050753 Energy: 4.784226018230126 Energy: 5.098559328052302 Energy: 4.783802002425842 Energy: 5.092070879287762 Energy: 4.906398646040657 Energy: 5.092070879289311 Energy: 4.78380200242894 Energy: 5.092070879292409 Energy: 5.407038491725258 Energy: 5.065301930128376 Energy: 4.868785647174147 Energy: 5.065301930128376 Energy: 5.407038491725258 Energy: 5.065301930129926 Energy: 5.072255910662056 Energy: 5.063846604914029 Energy: 4.985335986288317 Energy: 5.063846604917127 Energy: 5.072255910662056 Energy: 5.063846604915578 Energy: 5.064128613438092 Energy: 5.591667364931709 Energy: 4.94604489909117 Energy: 5.591667364928611 Energy: 5.0641286134396415 Energy: 5.591667364930161 Energy: 5.071267358482709 Energy: 5.0639574018055 Energy: 4.959668339481849 Energy: 5.063957401802403 Energy: 5.071267358485806 Energy: 5.063957401802403 minimum gb energy = 4.7660910688799705 eV minimum distance = 2.0919675753325 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 5.362779881580994 Energy: 4.988347916881189 Energy: 5.694620430360662 Energy: 4.988347916878577 Energy: 5.362779881579688 Energy: 4.988347916878577 Energy: 4.974354894053129 Energy: 4.934923553075535 Energy: 4.903823127044491 Energy: 4.934923553071617 Energy: 4.974354894054436 Energy: 4.934923553070312 Energy: 5.011284812444997 Energy: 5.009416138507298 Energy: 4.9039141624466 Energy: 5.009416138507298 Energy: 5.011284812444997 Energy: 5.009416138507298 Energy: 5.00783983854814 Energy: 5.0946858144032205 Energy: 5.0472047361471075 Energy: 5.094685814407138 Energy: 5.00783983854814 Energy: 5.094685814404526 Energy: 4.873727279900676 Energy: 5.350464422869838 Energy: 4.876228048689653 Energy: 5.350464422868533 Energy: 4.873727279899369 Energy: 5.350464422871145 Energy: 5.12167695509177 Energy: 5.122108162690699 Energy: 5.098120637625791 Energy: 5.122108162690699 Energy: 5.12167695509177 Energy: 5.122108162692005 Energy: 4.887014428156297 Energy: 5.096240488239615 Energy: 4.983765514193247 Energy: 5.096240488239615 Energy: 4.8870144281576025 Energy: 5.096240488237003 Energy: 4.90272014676771 Energy: 5.006916606715231 Energy: 4.98373165025325 Energy: 5.006916606717843 Energy: 4.902720146766405 Energy: 5.006916606717843 Energy: 5.261778378156201 Energy: 4.980834926208891 Energy: 5.249930006742036 Energy: 4.980834926203668 Energy: 5.261778378154895 Energy: 4.980834926204974 Energy: 4.902557009076385 Energy: 4.903189266801846 Energy: 4.943607322412167 Energy: 4.903189266803152 Energy: 4.902557009076385 Energy: 4.903189266804458 Energy: 4.902363891462254 Energy: 4.873523266573105 Energy: 4.943667887123337 Energy: 4.8735232665718 Energy: 4.902363891463559 Energy: 4.8735232665718 Energy: 5.26098622724513 Energy: 4.980455233823416 Energy: 5.0467562163847495 Energy: 4.980455233827273 Energy: 5.26098622724513 Energy: 4.980455233826028 Energy: 4.902572082467188 Energy: 5.362921287525969 Energy: 4.984406212248003 Energy: 5.362921287525969 Energy: 4.9025720824684935 Energy: 5.362921287525969 Energy: 4.883643554646892 Energy: 5.094479886531009 Energy: 4.982496015656752 Energy: 5.094479886531009 Energy: 4.883643554646892 Energy: 5.094479886531009 Energy: 5.091640874930469 Energy: 5.127259242765909 Energy: 5.098649428136708 Energy: 5.127259242765909 Energy: 5.091640874933081 Energy: 5.127259242765909 Energy: 4.8739123884916475 Energy: 5.350464422871145 Energy: 4.874687043609904 Energy: 5.350464422865921 Energy: 4.873912388492953 Energy: 5.350464422871145 Energy: 5.003781732042286 Energy: 5.0968682480745 Energy: 5.040765547372557 Energy: 5.096868248071889 Energy: 5.003781732043591 Energy: 5.096868248073195 Energy: 5.010738360588947 Energy: 5.009690282641745 Energy: 4.904307637499432 Energy: 5.009690282640439 Energy: 5.010738360586335 Energy: 5.009690282640439 Energy: 4.980812749075949 Energy: 4.928328005520099 Energy: 4.9040955880905885 Energy: 4.928328005522709 Energy: 4.980812749074643 Energy: 4.928328005522709 Energy: 5.362779881580994 Energy: 4.988347916885106 Energy: 5.694620430359356 Energy: 4.9883479168824945 Energy: 5.362779881580994 Energy: 4.988347916881189 Energy: 4.974354894053129 Energy: 4.934923553075535 Energy: 4.903823127045797 Energy: 4.934923553071617 Energy: 4.974354894057047 Energy: 4.934923553071617 Energy: 5.011284812443692 Energy: 5.009416138507298 Energy: 4.903914162445294 Energy: 5.009416138509908 Energy: 5.011284812443692 Energy: 5.009416138511216 Energy: 5.0078398385494465 Energy: 5.094685814401915 Energy: 5.0472047361471075 Energy: 5.094685814408443 Energy: 5.0078398385494465 Energy: 5.094685814408443 Energy: 4.873727279896758 Energy: 5.350464422875061 Energy: 4.876228048688347 Energy: 5.350464422871145 Energy: 4.8737272798980635 Energy: 5.350464422867227 Energy: 5.121676955090464 Energy: 5.122108162690699 Energy: 5.098120637621874 Energy: 5.122108162689393 Energy: 5.121676955089159 Energy: 5.122108162689393 minimum gb energy = 4.8735232665718 eV minimum distance = 2.09030543438272 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 5.308171292868294 Energy: 4.928972117767831 Energy: 5.43550435442069 Energy: 4.928972117767831 Energy: 5.308171292868294 Energy: 4.928972117767831 Energy: 4.899428863327054 Energy: 4.829365165106633 Energy: 4.755923134723541 Energy: 4.829365165111142 Energy: 4.899428863327054 Energy: 4.829365165111142 Energy: 4.92410228410606 Energy: 4.981055072182587 Energy: 4.7560145652942225 Energy: 4.98105507218146 Energy: 4.92410228410606 Energy: 4.98105507218146 Energy: 4.898032952020037 Energy: 5.069791378914944 Energy: 5.065362060528481 Energy: 5.069791378916071 Energy: 4.898032952020037 Energy: 5.069791378914944 Energy: 4.8775145580417325 Energy: 5.35307741875838 Energy: 5.061986953025357 Energy: 5.353077418757253 Energy: 4.877514558040605 Energy: 5.353077418757253 Energy: 4.932059877422708 Energy: 5.06210922535976 Energy: 5.06108888351654 Energy: 5.06210922535976 Energy: 4.932059877422708 Energy: 5.062109225360887 Energy: 4.876301579816117 Energy: 5.466547738634381 Energy: 5.064722548401909 Energy: 5.466547738636635 Energy: 4.876301579817244 Energy: 5.466547738636635 Energy: 4.8778083100374765 Energy: 5.179665332530192 Energy: 5.060480363921504 Energy: 5.179665332524555 Energy: 4.8778083100374765 Energy: 5.1796653325256825 Energy: 4.876164118882403 Energy: 5.1806815508060495 Energy: 5.308711703312151 Energy: 5.180681550808304 Energy: 4.876164118880149 Energy: 5.180681550807177 Energy: 4.876169824996876 Energy: 5.214775531561055 Energy: 4.756037646011637 Energy: 5.21477553156331 Energy: 4.87616982499913 Energy: 5.21477553156331 Energy: 4.890925300445354 Energy: 4.882460384715801 Energy: 4.755939199406954 Energy: 4.882460384718055 Energy: 4.890925300446482 Energy: 4.882460384718055 Energy: 4.794605624214508 Energy: 4.7570492903116675 Energy: 4.758056377969325 Energy: 4.7570492903127946 Energy: 4.7946056242156345 Energy: 4.7570492903127946 Energy: 4.794181580383958 Energy: 4.756796025361873 Energy: 4.757207648186379 Energy: 4.756796025364127 Energy: 4.794181580383958 Energy: 4.7567960253652535 Energy: 4.932146365450475 Energy: 4.881646890326288 Energy: 4.981299693757137 Energy: 4.881646890326288 Energy: 4.932146365452729 Energy: 4.88164689032516 Energy: 4.881261184934807 Energy: 5.0693664178328515 Energy: 4.756645151897478 Energy: 5.069366417830597 Energy: 4.881261184934807 Energy: 5.069366417830597 Energy: 4.875903727563737 Energy: 5.0638442629622515 Energy: 4.763753123106225 Energy: 5.063844262963379 Energy: 4.875903727563737 Energy: 5.063844262965632 Energy: 4.922186201585399 Energy: 5.063994019192703 Energy: 4.762505712178073 Energy: 5.063994019196084 Energy: 4.922186201585399 Energy: 5.063994019194957 Energy: 4.876575214563705 Energy: 5.467905865118936 Energy: 4.755030113678607 Energy: 5.467905865118936 Energy: 4.876575214563705 Energy: 5.467905865121189 Energy: 4.922201295991463 Energy: 5.064148759865807 Energy: 4.7625181929153255 Energy: 5.064148759863553 Energy: 4.922201295990336 Energy: 5.064148759863553 Energy: 4.875930105386797 Energy: 5.063971881781267 Energy: 4.763760521052753 Energy: 5.06397188178014 Energy: 4.875930105386797 Energy: 5.06397188178014 Energy: 4.881187238511084 Energy: 5.069262692933132 Energy: 4.756871990461845 Energy: 5.069262692927497 Energy: 4.881187238509957 Energy: 5.069262692928625 Energy: 4.932173785488617 Energy: 4.881644399053527 Energy: 4.981406632590551 Energy: 4.881644399053527 Energy: 4.93217378548749 Energy: 4.881644399053527 Energy: 4.794218921119127 Energy: 4.756888110032178 Energy: 4.757161531982575 Energy: 4.756888110032178 Energy: 4.794218921120254 Energy: 4.756888110033306 Energy: 4.794542029103434 Energy: 4.7570300743864 Energy: 4.7580424993436425 Energy: 4.757030074385273 Energy: 4.794542029103434 Energy: 4.757030074385273 Energy: 4.890931832729732 Energy: 4.882564547089776 Energy: 4.829466705074062 Energy: 4.882564547090904 Energy: 4.890931832729732 Energy: 4.882564547090904 Energy: 4.876335142097872 Energy: 5.214815724772707 Energy: 4.756027152728643 Energy: 5.214815724770454 Energy: 4.876335142097872 Energy: 5.214815724771581 Energy: 4.876175508214733 Energy: 5.180269984894029 Energy: 5.169932992185707 Energy: 5.180269984894029 Energy: 4.876175508214733 Energy: 5.180269984894029 Energy: 4.877884945492478 Energy: 5.179700312934833 Energy: 5.060359303682394 Energy: 5.179700312932579 Energy: 4.877884945492478 Energy: 5.179700312933706 Energy: 4.87641121844862 Energy: 5.466547738636635 Energy: 5.064696448571175 Energy: 5.466547738635508 Energy: 4.876411218447493 Energy: 5.466547738634381 minimum gb energy = 4.755030113678607 eV minimum distance = 2.09228214286921 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 5.246686194781103 Energy: 4.924716217750626 Energy: 5.283236942741705 Energy: 4.9247162177456705 Energy: 5.246686194782094 Energy: 4.924716217746661 Energy: 4.706861280833851 Energy: 4.7274788373375936 Energy: 4.705634258496076 Energy: 4.7274788373375936 Energy: 4.706861280833851 Energy: 4.727478837335612 Energy: 4.841900094255089 Energy: 4.747054509157553 Energy: 4.706219354854177 Energy: 4.747054509157553 Energy: 4.841900094254098 Energy: 4.747054509157553 Energy: 4.701273050012162 Energy: 4.848134914614396 Energy: 4.845127447960922 Energy: 4.8481349146134045 Energy: 4.701273050012162 Energy: 4.8481349146134045 Energy: 4.708998223355294 Energy: 4.843774235413787 Energy: 4.849155844502171 Energy: 4.843774235412797 Energy: 4.7089982233582655 Energy: 4.843774235412797 Energy: 4.847225257390974 Energy: 5.397198126270659 Energy: 4.703967798903573 Energy: 5.397198126270659 Energy: 4.847225257391965 Energy: 5.397198126269669 Energy: 4.850656688619646 Energy: 5.6450115626271264 Energy: 4.705404820875773 Energy: 5.645011562626136 Energy: 4.850656688621627 Energy: 5.645011562626136 Energy: 4.840031107151895 Energy: 5.644053074340473 Energy: 4.84185614222112 Energy: 5.644053074339482 Energy: 4.840031107149914 Energy: 5.644053074340473 Energy: 4.711422256390901 Energy: 5.396905474572209 Energy: 4.846364017752237 Energy: 5.396905474574191 Energy: 4.711422256391892 Energy: 5.396905474574191 Energy: 4.701112542924004 Energy: 5.398237139619898 Energy: 4.701969935616314 Energy: 5.398237139617916 Energy: 4.701112542924995 Energy: 5.3982371396189075 Energy: 5.124547591226066 Energy: 5.316365357575708 Energy: 4.998899075330293 Energy: 5.3163653575737255 Energy: 5.124547591226066 Energy: 5.3163653575737255 Energy: 4.7061219564424634 Energy: 4.704571170424912 Energy: 4.702499087245784 Energy: 4.704571170425902 Energy: 4.706121956441473 Energy: 4.704571170424912 Energy: 4.70611380399274 Energy: 4.772683140042956 Energy: 4.704772994608534 Energy: 4.772683140041965 Energy: 4.706113803990759 Energy: 4.772683140041965 Energy: 4.845041949628349 Energy: 4.83464093143594 Energy: 4.7058929436398484 Energy: 4.83464093143594 Energy: 4.845041949627359 Energy: 4.83464093143594 Energy: 4.70783935543367 Energy: 5.180553474183386 Energy: 4.7056484640765825 Energy: 5.180553474184377 Energy: 4.707839355435651 Energy: 5.180553474183386 Energy: 4.705707726740526 Energy: 4.772234276643465 Energy: 4.84817686827641 Energy: 4.772234276644455 Energy: 4.705707726741516 Energy: 4.772234276643465 Energy: 4.706218252487595 Energy: 4.915212940002007 Energy: 4.7021538935132705 Energy: 4.915212940001017 Energy: 4.706218252486604 Energy: 4.915212940002007 Energy: 4.841020453632066 Energy: 4.840566995870346 Energy: 4.702003506588504 Energy: 4.840566995868365 Energy: 4.841020453634047 Energy: 4.840566995869355 Energy: 4.746660484691549 Energy: 5.4128849066464895 Energy: 4.83964156590281 Energy: 5.412884906644509 Energy: 4.746660484690558 Energy: 5.412884906645499 Energy: 4.702279559597661 Energy: 5.647707446103222 Energy: 4.701608302309891 Energy: 5.647707446104214 Energy: 4.702279559598653 Energy: 5.647707446104214 Energy: 4.889597518249859 Energy: 4.8919346158496975 Energy: 4.84944056464734 Energy: 4.891934615848707 Energy: 4.889597518248869 Energy: 4.891934615847717 Energy: 4.703582370885516 Energy: 5.396400815631532 Energy: 4.702188905279501 Energy: 5.396400815631532 Energy: 4.703582370884525 Energy: 5.396400815631532 Energy: 4.845104208598986 Energy: 5.411487821389887 Energy: 4.707336266109538 Energy: 5.411487821391869 Energy: 4.8451042085999765 Energy: 5.41148782139286 Energy: 4.701302948911313 Energy: 5.1500291558674025 Energy: 5.132183667689724 Energy: 5.150029155865422 Energy: 4.701302948910323 Energy: 5.150029155866411 Energy: 4.70860298466414 Energy: 5.124661150577921 Energy: 4.6921856574281495 Energy: 5.124661150576931 Energy: 4.70860298466414 Energy: 5.124661150576931 Energy: 4.705064640275499 Energy: 4.773018119577339 Energy: 4.705789417821573 Energy: 4.773018119577339 Energy: 4.7050646402764915 Energy: 4.773018119577339 Energy: 4.706386473390768 Energy: 4.7026226714229065 Energy: 4.703768187929592 Energy: 4.702622671424887 Energy: 4.706386473390768 Energy: 4.702622671424887 Energy: 4.706272817566279 Energy: 4.704232864018581 Energy: 4.704134635965893 Energy: 4.704232864018581 Energy: 4.706272817566279 Energy: 4.704232864017591 Energy: 5.03652019965676 Energy: 4.772277652663854 Energy: 4.975146710886694 Energy: 4.772277652663854 Energy: 5.03652019965676 Energy: 4.772277652663854 Energy: 4.701286665990842 Energy: 4.7601114847055355 Energy: 4.703344493513129 Energy: 4.760111484704544 Energy: 4.701286665989851 Energy: 4.7601114847055355 Energy: 4.702686221679311 Energy: 4.845249120404098 Energy: 4.838689409810606 Energy: 4.845249120405089 Energy: 4.702686221681293 Energy: 4.845249120405089 Energy: 4.704127551122726 Energy: 5.413015126772501 Energy: 4.703657125074017 Energy: 5.413015126774482 Energy: 4.704127551123717 Energy: 5.413015126773492 Energy: 4.709159697142562 Energy: 5.128222785959512 Energy: 4.850384104865355 Energy: 5.128222785959512 Energy: 4.709159697143553 Energy: 5.128222785960503 minimum gb energy = 4.6921856574281495 eV minimum distance = 2.10640059382603 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.034136124952147615 Energy: 0.03492799020951946 Energy: 6.048280468492819 Energy: 0.034927990208787736 Energy: 0.03413612495132442 Energy: 0.034927990208787736 Energy: 0.03439308641746458 Energy: 3.2105347076636774 Energy: 0.03439308641746458 Energy: 3.210534707664501 Energy: 0.03439308641746458 Energy: 3.210534707664501 Energy: 6.0482804684887945 Energy: 0.034927990208787736 Energy: 0.034136124952147615 Energy: 0.034927990208787736 Energy: 6.0482804684887945 Energy: 0.03492799020796455 Energy: 0.03439308641746458 Energy: 3.210534707664501 Energy: 0.03439308641746458 Energy: 3.2105347076636774 Energy: 0.03439308641746458 Energy: 3.2105347076636774 minimum gb energy = 0.03413612495132442 eV minimum distance = 2.28611592895467 Angstroms sigma value = 1