Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.03330184519291 cohesive_energy=3.369970499585708 mass=26.981538 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: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.40915621646417477 Energy: 0.4465898848591715 Energy: 0.40915621646417477 Energy: 0.4465898848468548 Energy: 0.40915621646417477 Energy: 0.44658988484413953 Energy: 0.01047009764780351 Energy: 0.4091562164639509 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.40915621646417477 Energy: 0.4465898848480864 Energy: 0.4091562164639509 Energy: 0.44658988485598033 Energy: 0.40915621646417477 Energy: 0.4465898848520334 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.01047009764780351 Energy: 0.40915621646417477 Energy: 0.40915621646417477 Energy: 0.4465898848589196 Energy: 0.40915621646417477 Energy: 0.44658988484710677 Energy: 0.40915621646417477 Energy: 0.44658988485964735 minimum gb energy = 0.01047009764780351 eV minimum distance = 2.77932847035578 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.5363694416523389 Energy: 0.5075025894651509 Energy: 0.5363694416505196 Energy: 0.5075025894639381 Energy: 0.5363694416523389 Energy: 0.5075025894645444 Energy: 0.5759092011264668 Energy: 0.47689718723042446 Energy: 0.5759092011246476 Energy: 0.47689718723042446 Energy: 0.5759092011240411 Energy: 0.47689718723042446 Energy: 0.5053582303727763 Energy: 0.5576351363697641 Energy: 0.5053582303715636 Energy: 0.5576351363691577 Energy: 0.5053582303709571 Energy: 0.5576351363691577 Energy: 0.5862604826874966 Energy: 0.48631647519524407 Energy: 0.5862604826874966 Energy: 0.4863164751940312 Energy: 0.5862604826874966 Energy: 0.4863164751946376 Energy: 0.5063957985904608 Energy: 0.5722420044069167 Energy: 0.5063957985892479 Energy: 0.5722420044075232 Energy: 0.5063957985904608 Energy: 0.5722420044075232 Energy: 0.5367103010266387 Energy: 0.48682357412712746 Energy: 0.5367103010272452 Energy: 0.48682357412773386 Energy: 0.5367103010260323 Energy: 0.48682357412773386 Energy: 0.5108158168794611 Energy: 0.546730474660195 Energy: 0.5108158168812803 Energy: 0.546730474660195 Energy: 0.5108158168806739 Energy: 0.5467304746595886 Energy: 0.49366026020865017 Energy: 0.5711488267277937 Energy: 0.49366026020925663 Energy: 0.5711488267277937 Energy: 0.49366026020865017 Energy: 0.5711488267277937 Energy: 0.5501631069057562 Energy: 0.5250235615082701 Energy: 0.5501631069075755 Energy: 0.5250235615082701 Energy: 0.5501631069057562 Energy: 0.5250235615076638 Energy: 0.46562895913504787 Energy: 0.5697464710320836 Energy: 0.4656289591332286 Energy: 0.56974647103269 Energy: 0.46562895913504787 Energy: 0.5697464710332963 Energy: 0.61322389789953 Energy: 0.4728367425552699 Energy: 0.6132238979007428 Energy: 0.4728367425552699 Energy: 0.6132238979001364 Energy: 0.4728367425552699 Energy: 0.45217547284805354 Energy: 0.5592605095264532 Energy: 0.4521754728468683 Energy: 0.5592605095258469 Energy: 0.4521754728474747 Energy: 0.5592605095173568 Energy: 0.5746698572213927 Energy: 0.45665667662204057 Energy: 0.5746698572219993 Energy: 0.45665667662264703 Energy: 0.5746698572207863 Energy: 0.45665667662264703 Energy: 0.49108136559757515 Energy: 0.5104722795250434 Energy: 0.49108136559876053 Energy: 0.5104722795268627 Energy: 0.491081365598154 Energy: 0.5104722795274691 Energy: 0.5926621809694559 Energy: 0.4657183824992021 Energy: 0.5926621809700623 Energy: 0.4657183824992021 Energy: 0.5926621809694559 Energy: 0.4657183824985957 Energy: 0.5797098237665154 Energy: 0.5467768393198688 Energy: 0.5797098237671219 Energy: 0.5467768393198688 Energy: 0.579709823765909 Energy: 0.5467768393198688 Energy: 0.5258224744769026 Energy: 0.5137484313035956 Energy: 0.5258224744787219 Energy: 0.5137484313029892 Energy: 0.5258224744762963 Energy: 0.5137484313035956 Energy: 0.5155250335137611 Energy: 0.4987579384396463 Energy: 0.5155250335137611 Energy: 0.4987579384396463 Energy: 0.5155250335125483 Energy: 0.4987579384390398 Energy: 0.4879294830347123 Energy: 0.4889489961654629 Energy: 0.48792948303410594 Energy: 0.48894899616424997 Energy: 0.48792948303592515 Energy: 0.48894899616606935 Energy: 0.5730196749696461 Energy: 0.48598850220170847 Energy: 0.5730196749702526 Energy: 0.48598850220170847 Energy: 0.5730196749696461 Energy: 0.48598850220170847 Energy: 0.4781996175181749 Energy: 0.6253958322668361 Energy: 0.4781996175187814 Energy: 0.6253958322674428 Energy: 0.4781996175187814 Energy: 0.6253958322680215 Energy: 0.5431716658294603 Energy: 0.525595066744852 Energy: 0.5431716658306732 Energy: 0.525595066744852 Energy: 0.5431716658300667 Energy: 0.5255950667454585 Energy: 0.45354093775592247 Energy: 0.5548857117390295 Energy: 0.45354093775834814 Energy: 0.5548857117396357 Energy: 0.45354093775592247 Energy: 0.5548857117396357 minimum gb energy = 0.4521754728468683 eV minimum distance = 2.62897243662785 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.5455266649906043 Energy: 0.5264666450731542 Energy: 0.5455266649895695 Energy: 0.5264666450731542 Energy: 0.5455266649888796 Energy: 0.5264666450731542 Energy: 0.5426804957270559 Energy: 0.5083695887000321 Energy: 0.542680495726366 Energy: 0.5083695887000321 Energy: 0.542680495726366 Energy: 0.5083695887000321 Energy: 0.460168048257401 Energy: 0.523041652246977 Energy: 0.4601680482567111 Energy: 0.5230416522462872 Energy: 0.4601680482556763 Energy: 0.523041652246977 Energy: 0.5555677920678623 Energy: 0.5388021629049897 Energy: 0.5555677920688972 Energy: 0.5388021629056796 Energy: 0.5555677920685523 Energy: 0.5388021629056796 Energy: 0.5113956966438693 Energy: 0.5247503197973092 Energy: 0.5113956966438693 Energy: 0.5247503197966192 Energy: 0.5113956966431793 Energy: 0.5247503197966192 Energy: 0.49261367106676146 Energy: 0.4653650372137568 Energy: 0.49261367106779624 Energy: 0.465365037213067 Energy: 0.49261367106779624 Energy: 0.4653650372134119 Energy: 0.5448263807134852 Energy: 0.5207363813278642 Energy: 0.5448263807145199 Energy: 0.5207363813275192 Energy: 0.5448263807138302 Energy: 0.5207363813275192 Energy: 0.4571821212938487 Energy: 0.5815646093408418 Energy: 0.4571821212952285 Energy: 0.5815646093418766 Energy: 0.4571821212945386 Energy: 0.5815646093404968 Energy: 0.469231350083969 Energy: 0.46665248886513444 Energy: 0.4692313500843139 Energy: 0.46665248886513444 Energy: 0.469231350083969 Energy: 0.46665248886513444 Energy: 0.46306598099915425 Energy: 0.5602366801783505 Energy: 0.46306598099708474 Energy: 0.5602366801786954 Energy: 0.4630659809988094 Energy: 0.5602366801790404 Energy: 0.5782961507520242 Energy: 0.4632442455041917 Energy: 0.5782961507516792 Energy: 0.4632442455038468 Energy: 0.5782961507506443 Energy: 0.4632442455038468 Energy: 0.46517527852335994 Energy: 0.4839947522023108 Energy: 0.46517527852335994 Energy: 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Energy: 0.5157734916223692 Energy: 0.46776694008262143 Energy: 0.5157734916223692 Energy: 0.46776694008124176 Energy: 0.5157734916223692 Energy: 0.4816579393832631 Energy: 0.49414263845514006 Energy: 0.4816579393836081 Energy: 0.49414263845514006 Energy: 0.48165793938429796 Energy: 0.4941426384547951 Energy: 0.5175068267690887 Energy: 0.5475002054836084 Energy: 0.5175068267687437 Energy: 0.5475002054836084 Energy: 0.5175068267694336 Energy: 0.5475002054836084 Energy: 0.5671497665203313 Energy: 0.45626248239319556 Energy: 0.5671497665179167 Energy: 0.4562624823928506 Energy: 0.5671497665189515 Energy: 0.4562624823928506 Energy: 0.46519565962213133 Energy: 0.4677240507468187 Energy: 0.46519565962144144 Energy: 0.4677240507464738 Energy: 0.4651956596210965 Energy: 0.46772405074716367 minimum gb energy = 0.453967803442357 eV minimum distance = 2.67663394919332 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.5052607095932309 Energy: 0.5106759949283658 Energy: 0.5052607095932309 Energy: 0.5106759949283658 Energy: 0.5052607095924316 Energy: 0.5106759949275665 Energy: 0.5394882653521553 Energy: 0.48632495518053664 Energy: 0.5394882653529546 Energy: 0.48632495518053664 Energy: 0.5394882653537538 Energy: 0.48632495518053664 Energy: 0.47083557355864725 Energy: 0.583393950707744 Energy: 0.47083557355864725 Energy: 0.583393950707744 Energy: 0.47083557355864725 Energy: 0.583393950707744 Energy: 0.508379805528718 Energy: 0.44609991284640954 Energy: 0.5083798055295171 Energy: 0.44609991284640954 Energy: 0.508379805528718 Energy: 0.4460999128472087 Energy: 0.5167832610062789 Energy: 0.4926061174440103 Energy: 0.5167832610062789 Energy: 0.4926061174448095 Energy: 0.5167832610062789 Energy: 0.4926061174448095 Energy: 0.4736789448086587 Energy: 0.49248783193355355 Energy: 0.47367894480785944 Energy: 0.49248783193275436 Energy: 0.47367894480785944 Energy: 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Energy: 0.5412910199501537 Energy: 0.4845976277500129 Energy: 0.5412910199501537 Energy: 0.4845976277492137 Energy: 0.5412910199501537 Energy: 0.4845976277500129 Energy: 0.49450110655895035 Energy: 0.474901018101555 Energy: 0.49450110655895035 Energy: 0.4749010181023543 Energy: 0.49450110655895035 Energy: 0.474901018101555 Energy: 0.5076636264089331 Energy: 0.5092929197306123 Energy: 0.507663626408134 Energy: 0.5092929197306123 Energy: 0.507663626408134 Energy: 0.5092929197306123 Energy: 0.548201628534116 Energy: 0.4924449373505021 Energy: 0.548201628534116 Energy: 0.4924449373505021 Energy: 0.548201628534116 Energy: 0.49244493735130124 Energy: 0.5233250625755528 Energy: 0.5673313746188425 Energy: 0.5233250625747535 Energy: 0.5673313746188425 Energy: 0.5233250625755528 Energy: 0.5673313746180433 Energy: 0.5187849507998477 Energy: 0.4945099963303472 Energy: 0.5187849508006469 Energy: 0.494509996329548 Energy: 0.5187849507998477 Energy: 0.494509996329548 minimum gb energy = 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0.41800060033053343 Energy: 0.39477458190184445 Energy: 0.4180564716911925 Energy: 0.3947745818971038 Energy: 0.41805647169071836 Energy: 0.3947745818994741 Energy: 0.4180564716911925 Energy: 0.45511366300268663 Energy: 0.39578201663992996 Energy: 0.45511366300316064 Energy: 0.39578201663992996 Energy: 0.45511366300316064 Energy: 0.39578201663992996 Energy: 0.3962162205820428 Energy: 0.5641637704841533 Energy: 0.3962162205815688 Energy: 0.5641637704846274 Energy: 0.3962162205820428 Energy: 0.5641637704846274 Energy: 0.459351143291397 Energy: 0.5202886663471179 Energy: 0.4593511432895007 Energy: 0.5202886663471179 Energy: 0.4593511432890267 Energy: 0.5202886663471179 Energy: 0.44227512460936874 Energy: 0.41947736895765797 Energy: 0.4422751246103168 Energy: 0.41947736895765797 Energy: 0.44227512460936874 Energy: 0.41947736895908017 Energy: 0.45934021357725086 Energy: 0.5203277207613195 Energy: 0.45934021357819893 Energy: 0.5203277207613195 Energy: 0.45934021357725086 Energy: 0.5203277207613195 Energy: 0.39621999468412367 Energy: 0.5645349767028829 Energy: 0.39621999468507174 Energy: 0.5645349767005126 Energy: 0.39621999468412367 Energy: 0.5645349767024088 minimum gb energy = 0.39477458189520753 eV minimum distance = 2.68399896203331 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.4311305273196668 Energy: 0.4248968410502577 Energy: 0.4311305273196668 Energy: 0.4248968410502577 Energy: 0.4311305273196668 Energy: 0.4248968410502577 Energy: 0.5465671516545859 Energy: 0.4467796649198521 Energy: 0.5465671516557471 Energy: 0.4467796649198521 Energy: 0.5465671516557471 Energy: 0.4467796649198521 Energy: 0.43027206291055436 Energy: 0.49154842453717484 Energy: 0.43027206291055436 Energy: 0.49154842453485237 Energy: 0.43027206291055436 Energy: 0.4915484245360136 Energy: 0.5498802699806208 Energy: 0.42005736025526064 Energy: 0.5498802699794596 Energy: 0.42005736025526064 Energy: 0.5498802699794596 Energy: 0.42005736025526064 Energy: 0.5626809744075412 Energy: 0.4178343709780483 Energy: 0.5626809744075412 Energy: 0.4178343709768871 Energy: 0.56268097440638 Energy: 0.4178343709757259 Energy: 0.4930235130116945 Energy: 0.5396469184579872 Energy: 0.4930235130116945 Energy: 0.5396469184579872 Energy: 0.4930235130116945 Energy: 0.5396469184568259 Energy: 0.4580407545202401 Energy: 0.4458209842871267 Energy: 0.4580407545202401 Energy: 0.4458209842871267 Energy: 0.4580407545202401 Energy: 0.4458209842871267 Energy: 0.4327396551596827 Energy: 0.42745436409261456 Energy: 0.4327396551596827 Energy: 0.42745436409261456 Energy: 0.43273965516084395 Energy: 0.42745436409377574 Energy: 0.5439959665705943 Energy: 0.44135875459358487 Energy: 0.543995966568272 Energy: 0.44135875459590734 Energy: 0.5439959665694332 Energy: 0.4413587545970685 Energy: 0.47865944585038056 Energy: 0.4983167048173405 Energy: 0.4786594458492193 Energy: 0.4983167048173405 Energy: 0.4786594458492193 Energy: 0.4983167048161792 Energy: 0.4175087103811316 Energy: 0.41756522775573274 Energy: 0.4175087103811316 Energy: 0.41756522775573274 Energy: 0.4175087103799704 Energy: 0.41756522775573274 Energy: 0.5208595171357335 Energy: 0.4717614565812457 Energy: 0.5208595171368947 Energy: 0.4717614565812457 Energy: 0.5208595171368947 Energy: 0.4717614565812457 minimum gb energy = 0.4175087103799704 eV minimum distance = 2.57976961651209 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.48314443792341155 Energy: 0.44054752760686366 Energy: 0.4831444379243904 Energy: 0.4405475276071899 Energy: 0.48314443792210643 Energy: 0.44054752760653737 Energy: 0.5522941948560952 Energy: 0.42095375495144843 Energy: 0.5522941948521799 Energy: 0.42095375495177473 Energy: 0.552294194853485 Energy: 0.420953754952101 Energy: 0.39885402603081255 Energy: 0.5778262913150626 Energy: 0.3988540260298337 Energy: 0.5778262913150626 Energy: 0.3988540260275498 Energy: 0.5778262913147363 Energy: 0.4078288350681662 Energy: 0.3970377270000111 Energy: 0.4078288350681662 Energy: 0.3970377270003374 Energy: 0.40782883506914497 Energy: 0.3970377270003374 Energy: 0.4505863397223991 Energy: 0.42665271807588223 Energy: 0.4505863397201152 Energy: 0.4266527180811026 Energy: 0.45058633972403045 Energy: 0.42665271808175514 Energy: 0.4611673298133061 Energy: 0.43690735246106593 Energy: 0.4611673298162426 Energy: 0.43690735246106593 Energy: 0.46116732981200104 Energy: 0.43690735245845574 Energy: 0.417389530498087 Energy: 0.4705143557448736 Energy: 0.417389530500015 Energy: 0.4705143557445473 Energy: 0.41738953050066757 Energy: 0.4705143557448736 Energy: 0.3852885760919093 Energy: 0.46488927614122005 Energy: 0.3852885760906042 Energy: 0.46488927614122005 Energy: 0.3852885760902779 Energy: 0.4648892761418726 Energy: 0.5330325799992117 Energy: 0.4284549682428921 Energy: 0.5330325799988854 Energy: 0.4284549682432184 Energy: 0.5330325800005168 Energy: 0.4284549682435446 Energy: 0.4546929598568593 Energy: 0.5624262359808816 Energy: 0.45469295985490166 Energy: 0.5635250180266171 Energy: 0.45469295985783814 Energy: 0.5624262359808816 Energy: 0.4086302356748208 Energy: 0.39378183446488124 Energy: 0.4086302356744945 Energy: 0.39378183446458465 Energy: 0.40863023567579965 Energy: 0.39378183446488124 Energy: 0.4261789120613841 Energy: 0.4510952593462956 Energy: 0.42617891206007896 Energy: 0.45109525934662187 Energy: 0.42617891205942643 Energy: 0.45109525934564304 Energy: 0.43041995039518266 Energy: 0.4339469278445891 Energy: 0.4304199503981191 Energy: 0.4339469278445891 Energy: 0.4304199503984454 Energy: 0.4339469278445891 Energy: 0.45187463512833775 Energy: 0.47314398960161536 Energy: 0.45187463512703263 Energy: 0.47314398960161536 Energy: 0.4518746351260538 Energy: 0.47314398960161536 Energy: 0.40218247444840793 Energy: 0.46475433633521573 Energy: 0.4021824744464503 Energy: 0.4647543363358683 Energy: 0.40218247444840793 Energy: 0.46475433633521573 Energy: 0.40048102418606774 Energy: 0.4310873574404641 Energy: 0.4004810241945509 Energy: 0.4310873574404641 Energy: 0.40048102418313125 Energy: 0.43108735744111665 Energy: 0.4900447348728548 Energy: 0.4890476301845992 Energy: 0.49004473487154976 Energy: 0.48904763018198893 Energy: 0.49004473487252853 Energy: 0.48904763018264147 Energy: 0.40584137906653067 Energy: 0.4263870970637826 Energy: 0.4058413790671832 Energy: 0.42638709706410893 Energy: 0.40584137906783574 Energy: 0.4263870970637826 Energy: 0.38758404288485243 Energy: 0.5058404026857193 Energy: 0.38758404288583126 Energy: 0.5058404026853931 Energy: 0.38758404288517867 Energy: 0.5058404026847405 Energy: 0.5469579300178629 Energy: 0.4421825763015344 Energy: 0.5469579300185153 Energy: 0.4421825763018607 Energy: 0.5469579300175366 Energy: 0.4421825763015344 Energy: 0.38440744597889587 Energy: 0.5060315650597537 Energy: 0.38440744597661186 Energy: 0.50603156506008 Energy: 0.38440744597856963 Energy: 0.5060315650607325 Energy: 0.4055835209709723 Energy: 0.4263933669634681 Energy: 0.4055835209690146 Energy: 0.4263933669634681 Energy: 0.40558352097227734 Energy: 0.4263933669634681 Energy: 0.48984188235715276 Energy: 0.49007067544253863 Energy: 0.48984188235682646 Energy: 0.49007067544123356 Energy: 0.4898418823551951 Energy: 0.490070675440581 Energy: 0.4005079470865517 Energy: 0.417035292515139 Energy: 0.4005079470819838 Energy: 0.41703529251481275 Energy: 0.40050794708589915 Energy: 0.417035292515139 Energy: 0.4022280242748555 Energy: 0.4643853220692629 Energy: 0.4022280242771394 Energy: 0.4643853220692629 Energy: 0.40222802427616056 Energy: 0.4643853220692629 Energy: 0.45271873360318976 Energy: 0.4729771261558205 Energy: 0.45271873360188464 Energy: 0.4729771261558205 Energy: 0.4527187336028635 Energy: 0.4729771261558205 Energy: 0.4304051330982012 Energy: 0.4339292760149348 Energy: 0.4304051330975487 Energy: 0.43392927601428216 Energy: 0.4304051330982012 Energy: 0.433929276013956 Energy: 0.4265956277216839 Energy: 0.3992004842686977 Energy: 0.42659562771776866 Energy: 0.3992004842686977 Energy: 0.42659562772037884 Energy: 0.39920048426902405 Energy: 0.4084355729348538 Energy: 0.3938537006917179 Energy: 0.4084355729358326 Energy: 0.3938537006920441 Energy: 0.4084355729358326 Energy: 0.3938537006917179 Energy: 0.45460377083026365 Energy: 0.6132398823309885 Energy: 0.4546037708299373 Energy: 0.6132398823313148 Energy: 0.4546037708315688 Energy: 0.6132398823313148 Energy: 0.5329422645468596 Energy: 0.42889925205110724 Energy: 0.5329422645481646 Energy: 0.42889925205078094 Energy: 0.5329422645465333 Energy: 0.4288992520498021 Energy: 0.38527269745031306 Energy: 0.4649481814102775 Energy: 0.3852726974499868 Energy: 0.4649481814112563 Energy: 0.38527269745063936 Energy: 0.46494818141093003 Energy: 0.41953370587186867 Energy: 0.4702347720220152 Energy: 0.41953370587578404 Energy: 0.4702347720220152 Energy: 0.4195337058725212 Energy: 0.4702347720220152 Energy: 0.4609640835613099 Energy: 0.5114053719185588 Energy: 0.46096408355772095 Energy: 0.5114053719185588 Energy: 0.46096408355967855 Energy: 0.5114053719188851 Energy: 0.45064592474816456 Energy: 0.4281503994885708 Energy: 0.4506459247468594 Energy: 0.4281503994882445 Energy: 0.45064592474816456 Energy: 0.4281503994905284 Energy: 0.40792660671258674 Energy: 0.39711190739071667 Energy: 0.40792660670736625 Energy: 0.39711190739071667 Energy: 0.4079266067109553 Energy: 0.3971119073903904 Energy: 0.4035456849308796 Energy: 0.5778038591393949 Energy: 0.4035456849305533 Energy: 0.5778038591397211 Energy: 0.4035456849305533 Energy: 0.5778038591393949 Energy: 0.5522455493975313 Energy: 0.462394616381332 Energy: 0.5522455493978577 Energy: 0.46239461638067947 Energy: 0.5522455493985102 Energy: 0.46239461638165824 Energy: 0.4831444379224327 Energy: 0.44054752760588484 Energy: 0.483144437926348 Energy: 0.44054752760588484 Energy: 0.48314443792112766 Energy: 0.44054752760588484 Energy: 0.5522941948596842 Energy: 0.42510955289286023 Energy: 0.5522941948538113 Energy: 0.425109552892534 Energy: 0.5522941948577266 Energy: 0.425109552892534 Energy: 0.3988540260242871 Energy: 0.5778262913170202 Energy: 0.3988540260239608 Energy: 0.5778262913166939 Energy: 0.39885402602493963 Energy: 0.5778262913170202 Energy: 0.40782883506979756 Energy: 0.39703772700131623 Energy: 0.4078288350675136 Energy: 0.39703772700098994 Energy: 0.4078288350711026 Energy: 0.39703772700098994 Energy: 0.4505863397230516 Energy: 0.4266527180703355 Energy: 0.4505863397227254 Energy: 0.4266527180765348 Energy: 0.4505863397233779 Energy: 0.42665271807229316 minimum gb energy = 0.38440744597661186 eV minimum distance = 2.62877809709676 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.2689631597506116 Energy: 0.2657418852150376 Energy: 0.21862348888652203 Energy: 0.2657418852150376 Energy: 0.2689631597513543 Energy: 0.26574188520909586 Energy: 0.33282405946662175 Energy: 0.3538118834885396 Energy: 0.3328240594621654 Energy: 0.3538118834885396 Energy: 0.33282405946662175 Energy: 0.35381188348408327 Energy: 0.28961997531938805 Energy: 0.49325981236026056 Energy: 0.28961997532013073 Energy: 0.4932598123988483 Energy: 0.28961997531938805 Energy: 0.493259812221439 Energy: 0.26739062990570467 Energy: 0.21878177255153797 Energy: 0.26739062990570467 Energy: 0.21878177255153797 Energy: 0.26739062990570467 Energy: 0.21878177255525155 Energy: 0.2872725808980207 Energy: 0.33239543091421075 Energy: 0.28727258089727803 Energy: 0.332395430913468 Energy: 0.2872725808965353 Energy: 0.3323954309112399 Energy: 0.2188140095127774 Energy: 0.2916748259573706 Energy: 0.21881400951054925 Energy: 0.2916748259573706 Energy: 0.21881400951203472 Energy: 0.291674825953657 Energy: 0.218888581147915 Energy: 0.24744030597678354 Energy: 0.218888581147915 Energy: 0.24744030597678354 Energy: 0.2188885811486577 Energy: 0.24744030597604083 Energy: 0.3327626931082368 Energy: 0.286852228490178 Energy: 0.33276269310972223 Energy: 0.286852228490178 Energy: 0.33276269310749407 Energy: 0.2868522284886926 Energy: 0.2673784007643772 Energy: 0.2187595982108881 Energy: 0.2673784007643772 Energy: 0.2187595982108881 Energy: 0.2673784007643772 Energy: 0.21875959820791718 Energy: 0.2457570721676329 Energy: 0.32169951256304175 Energy: 0.24575707217134649 Energy: 0.32169951256304175 Energy: 0.2457570721676329 Energy: 0.32169951256824075 Energy: 0.28726741769542885 Energy: 0.3418171403751894 Energy: 0.2872674176961716 Energy: 0.34181714037444666 Energy: 0.2872674176961716 Energy: 0.34181714037444666 Energy: 0.26896315975581064 Energy: 0.2657418852150376 Energy: 0.21862348888652203 Energy: 0.2657418852150376 Energy: 0.26896315975581064 Energy: 0.26574188520983855 Energy: 0.33282405946662175 Energy: 0.3538118834922532 Energy: 0.33282405946365085 Energy: 0.3538118834922532 Energy: 0.33282405946810717 Energy: 0.3538118834863115 Energy: 0.28961997531938805 Energy: 0.49325981241295996 Energy: 0.2896199753208734 Energy: 0.49325981236397415 Energy: 0.28961997531938805 Energy: 0.4932598121538513 Energy: 0.2673906299042192 Energy: 0.2187817725500525 Energy: 0.267390629904962 Energy: 0.21878177255079523 Energy: 0.2673906299042192 Energy: 0.21878177255822243 Energy: 0.2872725808980207 Energy: 0.33239543091718166 Energy: 0.2872725808987634 Energy: 0.3323954309164389 Energy: 0.2872725808980207 Energy: 0.3323954309156962 Energy: 0.21881400951129198 Energy: 0.29167482595662786 Energy: 0.21881400950832108 Energy: 0.29167482595662786 Energy: 0.21881400951129198 Energy: 0.2916748259529143 Energy: 0.218888581147915 Energy: 0.24744030597529812 Energy: 0.218888581147915 Energy: 0.24744030597529812 Energy: 0.218888581147915 Energy: 0.24744030597529812 Energy: 0.3327626931089795 Energy: 0.2868522284931489 Energy: 0.33276269310972223 Energy: 0.2868522284938916 Energy: 0.3327626931089795 Energy: 0.286852228490178 minimum gb energy = 0.21862348888652203 eV minimum distance = 2.75727168219003 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.4338628494438614 Energy: 0.42813155417730026 Energy: 0.4338628494454936 Energy: 0.42813155417730026 Energy: 0.4338628494444054 Energy: 0.42813155417675614 Energy: 0.46997538069125316 Energy: 0.4197924895989401 Energy: 0.46997538069125316 Energy: 0.41979248959839616 Energy: 0.4699753806928853 Energy: 0.4197924895989401 Energy: 0.44990200781597905 Energy: 0.5671880377143479 Energy: 0.4499020078170672 Energy: 0.5671880377138039 Energy: 0.449902007814891 Energy: 0.5671880377148919 Energy: 0.48635212682991813 Energy: 0.41626653496618876 Energy: 0.48635212683209433 Energy: 0.41626653496564464 Energy: 0.4863521268315503 Energy: 0.41626653496618876 Energy: 0.4159149328682642 Energy: 0.3899664878298447 Energy: 0.41591493286717607 Energy: 0.3899664878293007 Energy: 0.41591493286772013 Energy: 0.3899664878298447 Energy: 0.43930322080933004 Energy: 0.4560294361154567 Energy: 0.4393032208109623 Energy: 0.45602943611491265 Energy: 0.4393032208104182 Energy: 0.4560294361154567 Energy: 0.38094181306502867 Energy: 0.49852804360969943 Energy: 0.38094181299108615 Energy: 0.49852804360915537 Energy: 0.38094181300137375 Energy: 0.49852804360915537 Energy: 0.44900499180691744 Energy: 0.373605568217087 Energy: 0.44900499180474124 Energy: 0.37360556821654295 Energy: 0.44900499180691744 Energy: 0.37360556821654295 Energy: 0.4181212331935517 Energy: 0.3789537688977615 Energy: 0.41812123319463984 Energy: 0.3789537688977615 Energy: 0.4181212331940957 Energy: 0.3789537688977615 Energy: 0.37702950905112337 Energy: 0.5033971723847538 Energy: 0.3770295090527555 Energy: 0.5033971723852978 Energy: 0.37702950905112337 Energy: 0.5033971723847538 Energy: 0.44342109173951644 Energy: 0.4997320595361135 Energy: 0.44342109174114863 Energy: 0.4997320595361135 Energy: 0.4434210917362521 Energy: 0.4997320595361135 Energy: 0.4172099925420129 Energy: 0.3839566336265707 Energy: 0.4172099925414688 Energy: 0.38395663362711474 Energy: 0.41720999254310104 Energy: 0.38395663362711474 Energy: 0.42448736541458004 Energy: 0.4140196004706584 Energy: 0.4244873654129478 Energy: 0.4140196004701143 Energy: 0.4244873654140359 Energy: 0.4140196004706584 Energy: 0.4770539171470421 Energy: 0.5561939790949575 Energy: 0.47705391714649803 Energy: 0.5561939790949575 Energy: 0.47705391714649803 Energy: 0.5561939790949575 Energy: 0.48996699819247047 Energy: 0.4222666415304817 Energy: 0.489966998196823 Energy: 0.42226664153211385 Energy: 0.48996699819464673 Energy: 0.4222666415310258 Energy: 0.4346053225386097 Energy: 0.4225695437370166 Energy: 0.4346053225386097 Energy: 0.4225695437375607 Energy: 0.43460532253915385 Energy: 0.4225695437370166 Energy: 0.3914010890158892 Energy: 0.41445024252013607 Energy: 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Energy: 0.4285159977610906 Energy: 0.45087291074242286 Energy: 0.4285159977605465 Energy: 0.4199628664835165 Energy: 0.39980077283944804 Energy: 0.4199628664835165 Energy: 0.39980077283944804 Energy: 0.41996286648297243 Energy: 0.39980077283944804 Energy: 0.3773373791558112 Energy: 0.498130845165146 Energy: 0.37733737915635523 Energy: 0.498130845164602 Energy: 0.3773373791541791 Energy: 0.49813084516405787 Energy: 0.5742313984498479 Energy: 0.49907282726221913 Energy: 0.574231398450392 Energy: 0.49907282726221913 Energy: 0.574231398450392 Energy: 0.49907282726221913 minimum gb energy = 0.37360556821654295 eV minimum distance = 2.64332630907973 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.4836792131209338 Energy: 0.4149092021872034 Energy: 0.4836792131217914 Energy: 0.4149092021867746 Energy: 0.4836792131213626 Energy: 0.4149092021872034 Energy: 0.4829192408298945 Energy: 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Energy: 0.4964380305650076 Energy: 0.5030687682614711 Energy: 0.5065844243604681 Energy: 0.5030687682614711 Energy: 0.5065844243600067 Energy: 0.5030687682619324 Energy: 0.5065844243600067 Energy: 0.5127172556845889 Energy: 0.4979776412510126 Energy: 0.512717255683666 Energy: 0.4979776412514741 Energy: 0.5127172556850503 Energy: 0.4979776412510126 Energy: 0.5338360605897107 Energy: 0.5178186298560049 Energy: 0.5338360605906335 Energy: 0.5178186298555434 Energy: 0.5338360605924791 Energy: 0.5178186298550821 Energy: 0.5565102911939492 Energy: 0.5035011131756055 Energy: 0.5565102911925649 Energy: 0.5035011131760668 Energy: 0.5565102911962563 Energy: 0.5035011131756055 Energy: 0.5123576878543515 Energy: 0.5207414178153337 Energy: 0.512357687854813 Energy: 0.5207414178153337 Energy: 0.5123576878538901 Energy: 0.5207414178148722 Energy: 0.5034124753923022 Energy: 0.5194653058356988 Energy: 0.5034124753918408 Energy: 0.5194653058352374 Energy: 0.5034124753923022 Energy: 0.5194653058352374 Energy: 0.5243794097667396 Energy: 0.49243555296437 Energy: 0.5243794097685851 Energy: 0.4924355529648315 Energy: 0.5243794097662781 Energy: 0.4924355529648315 Energy: 0.4890917678518981 Energy: 0.5081186061875338 Energy: 0.48909176785143677 Energy: 0.5081186061875338 Energy: 0.48909176785235964 Energy: 0.5081186061875338 Energy: 0.49088829614355173 Energy: 0.5617504037334635 Energy: 0.4908882961430904 Energy: 0.5617504037334635 Energy: 0.49088829614355173 Energy: 0.5617504037334635 Energy: 0.5118187781497062 Energy: 0.5075813710393042 Energy: 0.5118187781487834 Energy: 0.5075813710393042 Energy: 0.5118187781492448 Energy: 0.5075813710393042 Energy: 0.5515783856189087 Energy: 0.5238720043792097 Energy: 0.551578385617986 Energy: 0.5238720043792097 Energy: 0.5515783856193702 Energy: 0.5238720043792097 Energy: 0.5027231089479149 Energy: 0.5007555579977724 Energy: 0.5027231089488378 Energy: 0.5007555579982337 Energy: 0.5027231089479149 Energy: 0.5007555579982337 Energy: 0.514634784722854 Energy: 0.5028607054955996 Energy: 0.5146347847233154 Energy: 0.5028607054955996 Energy: 0.5146347847237768 Energy: 0.5028607054955996 Energy: 0.5119225323371457 Energy: 0.48846031774152937 Energy: 0.5119225323366843 Energy: 0.48846031774152937 Energy: 0.5119225323376071 Energy: 0.48846031774152937 Energy: 0.5462136856378103 Energy: 0.5497061098186805 Energy: 0.5462136856378103 Energy: 0.5497061098186805 Energy: 0.5462136856378103 Energy: 0.5497061098186805 Energy: 0.48882237635034925 Energy: 0.5394165425776858 Energy: 0.48882237635034925 Energy: 0.5394165425772245 Energy: 0.48882237635081066 Energy: 0.5394165425772245 minimum gb energy = 0.48846031774152937 eV minimum distance = 2.57475474304922 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5116682973509233 Energy: 0.443950434248424 Energy: 0.5116682973533131 Energy: 0.4439504342478266 Energy: 0.5116682973509233 Energy: 0.4439504342478266 Energy: 0.47369931118962894 Energy: 0.47119520983538965 Energy: 0.47369931119082387 Energy: 0.47119520983538965 Energy: 0.47369931119082387 Energy: 0.47119520983538965 Energy: 0.48847782845005394 Energy: 0.5488487263469125 Energy: 0.4884778284488591 Energy: 0.5488487263475099 Energy: 0.48847782845005394 Energy: 0.5488487263475099 Energy: 0.47237979442428857 Energy: 0.5043061727662913 Energy: 0.4723797944248589 Energy: 0.5043061727656939 Energy: 0.47237979442428857 Energy: 0.5043061727656939 Energy: 0.5351196132950641 Energy: 0.5020691276217386 Energy: 0.535119613296259 Energy: 0.5020691276217386 Energy: 0.5351196132950641 Energy: 0.5020691276217386 Energy: 0.48841762545587053 Energy: 0.48955129017038873 Energy: 0.4884176254552731 Energy: 0.48955129017038873 Energy: 0.4884176254552731 Energy: 0.48955129017098614 Energy: 0.5439873042434801 Energy: 0.5127901950556988 Energy: 0.5439873042440774 Energy: 0.5127901950551013 Energy: 0.5439873042434801 Energy: 0.5127901950551013 Energy: 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Energy: 0.46609246934777243 Energy: 0.549014306325535 Energy: 0.46609246934720217 Energy: 0.5490143063243401 Energy: 0.46609246934777243 Energy: 0.5508663736812088 Energy: 0.4627641188426151 Energy: 0.5508663736800139 Energy: 0.46276411884204477 Energy: 0.5508663736800139 Energy: 0.46276411884204477 Energy: 0.5341131495167752 Energy: 0.46352426036744027 Energy: 0.534113149519165 Energy: 0.46352426036863525 Energy: 0.5341131495185675 Energy: 0.4635242603656479 Energy: 0.4316981644097336 Energy: 0.47471583382950333 Energy: 0.4316981644097336 Energy: 0.47471583383010074 Energy: 0.4316981644103038 Energy: 0.4747158338312957 Energy: 0.5027386612566671 Energy: 0.4309205127544701 Energy: 0.5027386612554723 Energy: 0.43092051275685983 Energy: 0.5027386612566671 Energy: 0.4309205127550675 Energy: 0.4316758264816189 Energy: 0.4746438686862033 Energy: 0.43167582648221636 Energy: 0.47464386868500846 Energy: 0.43167582648042396 Energy: 0.4746438686879957 Energy: 0.5342669660040656 Energy: 0.46307409666555577 Energy: 0.5342669660040656 Energy: 0.4630740966637635 Energy: 0.5342669660040656 Energy: 0.46307409666495836 Energy: 0.5498896443610928 Energy: 0.4627636494207583 Energy: 0.5498896443610928 Energy: 0.4627636494207583 Energy: 0.5498896443604954 Energy: 0.4627636494201609 Energy: 0.5488746773840236 Energy: 0.550628610497479 Energy: 0.5488746773834262 Energy: 0.5506286104962842 Energy: 0.5488746773834262 Energy: 0.5506286104968817 Energy: 0.46980450491241355 Energy: 0.471142400449892 Energy: 0.4698045049118161 Energy: 0.471142400449892 Energy: 0.46980450491420583 Energy: 0.4711424004504894 Energy: 0.5343755873182915 Energy: 0.4991828147132989 Energy: 0.534375587318889 Energy: 0.4991828147127015 Energy: 0.534375587318889 Energy: 0.4991828147127015 minimum gb energy = 0.4309205127544701 eV minimum distance = 2.683954162493 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 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0.4488347702355535 Energy: 0.4624922327944052 Energy: 0.4488347702355535 Energy: 0.4624922327944052 Energy: 0.4488347702355535 Energy: 0.4624922327944052 Energy: 0.4475443510909098 Energy: 0.43605804625318095 Energy: 0.44754435109259966 Energy: 0.43605804625318095 Energy: 0.44754435109006485 Energy: 0.43605804625318095 Energy: 0.4777748059174927 Energy: 0.5007964959317256 Energy: 0.4777748059183376 Energy: 0.5007964959308806 Energy: 0.4777748059183376 Energy: 0.5007964959308806 Energy: 0.47531274570762294 Energy: 0.49583586212151753 Energy: 0.475312745706778 Energy: 0.49583586212151753 Energy: 0.47531274570762294 Energy: 0.4958358621189828 Energy: 0.46087094381032545 Energy: 0.4362114649930129 Energy: 0.46087094381032545 Energy: 0.4362114649938579 Energy: 0.46087094380948046 Energy: 0.4362114649930129 minimum gb energy = 0.4241148162372028 eV minimum distance = 2.64650156008043 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 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0.41460229759258016 Energy: 0.44406952052925147 Energy: 0.3942114690181882 Energy: 0.3702732097210263 Energy: 0.39421146901925075 Energy: 0.3702732097210263 Energy: 0.39421146901925075 Energy: 0.3702732097210263 Energy: 0.43197657902834746 Energy: 0.4536283806643117 Energy: 0.4319765790267537 Energy: 0.4536283806632492 Energy: 0.43197657902834746 Energy: 0.453628380664843 Energy: 0.4321380348141816 Energy: 0.4640169022272371 Energy: 0.43213803481205665 Energy: 0.4640169022272371 Energy: 0.43213803481365043 Energy: 0.46401690222776837 Energy: 0.4287028713321868 Energy: 0.36975479644420445 Energy: 0.42870287133643686 Energy: 0.36975479644473563 Energy: 0.4287028713321868 Energy: 0.36975479644473563 Energy: 0.4126655991377437 Energy: 0.44221254600476495 Energy: 0.41266559913721246 Energy: 0.44221254600476495 Energy: 0.412665599138275 Energy: 0.4422125460058275 minimum gb energy = 0.36664561292799824 eV minimum distance = 2.64046924252571 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.4351846914119084 Energy: 0.3491482590185913 Energy: 0.4351846914142309 Energy: 0.3491482590182043 Energy: 0.4351846914142309 Energy: 0.34914825901897845 Energy: 0.375758879970343 Energy: 0.37836688345286557 Energy: 0.3757588799711172 Energy: 0.37836688345286557 Energy: 0.3757588799715043 Energy: 0.37836688345247843 Energy: 0.3667127298692274 Energy: 0.3803515337453672 Energy: 0.3667127298700016 Energy: 0.38035153374614133 Energy: 0.36671272986961456 Energy: 0.38035153374575426 Energy: 0.4189395988204454 Energy: 0.34144189519547735 Energy: 0.4189395988123168 Energy: 0.3414418951950903 Energy: 0.4189395988196713 Energy: 0.34144189519547735 Energy: 0.41777573310015576 Energy: 0.3600160548320872 Energy: 0.4177757330989946 Energy: 0.3600160548317002 Energy: 0.41777573310015576 Energy: 0.3600160548317002 Energy: 0.334943676787101 Energy: 0.3777916450939081 Energy: 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Energy: 0.34462435147835835 Energy: 0.34479920811450426 Energy: 0.34462435147371345 Energy: 0.37352751862677624 Energy: 0.3444859765779527 Energy: 0.3735275186279375 Energy: 0.3444859765775656 Energy: 0.37352751862600214 Energy: 0.3444859765775656 Energy: 0.4057513936889323 Energy: 0.40943384136074124 Energy: 0.40575139368858043 Energy: 0.40943384136112837 Energy: 0.40575139369009355 Energy: 0.40943384136112837 Energy: 0.35288950780482126 Energy: 0.3449348124167528 Energy: 0.35288950780482126 Energy: 0.344934812417914 Energy: 0.35288950780520834 Energy: 0.3449348124186882 Energy: 0.35592409102642664 Energy: 0.3316615775330024 Energy: 0.3559240910260396 Energy: 0.3316615775326154 Energy: 0.35592409102874906 Energy: 0.3316615775330024 Energy: 0.40993602220878494 Energy: 0.3975150902399362 Energy: 0.4099360222107204 Energy: 0.3975150902399362 Energy: 0.40993602220994624 Energy: 0.3975150902399362 Energy: 0.3283789550886967 Energy: 0.3916008505366409 Energy: 0.32837895508714837 Energy: 0.39160085053702803 Energy: 0.3283789550883096 Energy: 0.39160085054747906 Energy: 0.37736711981429333 Energy: 0.3519590714650947 Energy: 0.37736711981351917 Energy: 0.3519590714654818 Energy: 0.3773671198146804 Energy: 0.3519590714650947 Energy: 0.38630645401197716 Energy: 0.41360977032482915 Energy: 0.38630645401236424 Energy: 0.41360977032482915 Energy: 0.3863064540115901 Energy: 0.413609770324442 Energy: 0.35713460559735216 Energy: 0.37767535534795027 Energy: 0.3571346055969651 Energy: 0.3776753559522801 Energy: 0.3571346055969651 Energy: 0.37767535538704483 Energy: 0.37795322165447726 Energy: 0.3843135845676239 Energy: 0.37795322165447726 Energy: 0.3843135845676239 Energy: 0.3779532216506065 Energy: 0.3843135845672368 Energy: 0.3878939542880099 Energy: 0.3734779293415784 Energy: 0.3878939542891711 Energy: 0.3734779293415784 Energy: 0.3878939542876228 Energy: 0.37347792934119134 Energy: 0.36634390584792004 Energy: 0.41864172478850176 Energy: 0.3663439058455975 Energy: 0.4186417247823086 Energy: 0.3663439058463717 Energy: 0.4186417247737929 Energy: 0.3617905047650489 Energy: 0.37668434317236854 Energy: 0.36179050476427477 Energy: 0.3766843431727556 Energy: 0.36179050476388763 Energy: 0.3766843431719814 Energy: 0.3654396513247043 Energy: 0.34280732552967846 Energy: 0.36543965132586553 Energy: 0.34280732552967846 Energy: 0.3654396513262526 Energy: 0.34280732552967846 Energy: 0.3411073443675356 Energy: 0.40710284245497924 Energy: 0.34110734436637435 Energy: 0.40710284245691464 Energy: 0.3411073443675356 Energy: 0.4071028424553663 Energy: 0.34746495422494356 Energy: 0.3639550870893848 Energy: 0.3474649542226211 Energy: 0.36395508709093305 Energy: 0.34746495422494356 Energy: 0.36395508709093305 Energy: 0.37172049873048846 Energy: 0.32397438556648206 Energy: 0.37172049873319796 Energy: 0.32397438556648206 Energy: 0.37172049873048846 Energy: 0.32397438556648206 Energy: 0.35080067577138396 Energy: 0.39723881213212453 Energy: 0.35080067577331936 Energy: 0.3972388121356082 Energy: 0.35080067577060986 Energy: 0.39723881213328577 Energy: 0.35500056445254974 Energy: 0.409235026255905 Energy: 0.35500056445487216 Energy: 0.40923502625629204 Energy: 0.3550005644533239 Energy: 0.4092350262574533 Energy: 0.3409380936064367 Energy: 0.31904520636340783 Energy: 0.3409380936041142 Energy: 0.3190452063630207 Energy: 0.34093809360488836 Energy: 0.3190452063630207 Energy: 0.34431251588504536 Energy: 0.36284320560301764 Energy: 0.3443125158865937 Energy: 0.3628432056034047 Energy: 0.3443125158842712 Energy: 0.36284320560301764 Energy: 0.38339449014842 Energy: 0.39819531016868975 Energy: 0.3833944901491941 Energy: 0.39819531016868975 Energy: 0.38339449014842 Energy: 0.39819531016868975 Energy: 0.340610730996691 Energy: 0.34237989885747766 Energy: 0.3406107309982393 Energy: 0.34237989885786474 Energy: 0.34061073099746514 Energy: 0.34237989885709064 Energy: 0.33140565231091 Energy: 0.36260040877810595 Energy: 0.33140565231091 Energy: 0.36260040877810595 Energy: 0.33140565231091 Energy: 0.362600408778493 minimum gb energy = 0.3190452063630207 eV minimum distance = 2.61710935518195 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.17491349284132207 Energy: 0.19410692695318063 Energy: 0.07441313813089087 Energy: 0.19410692695303516 Energy: 0.17491349284132207 Energy: 0.19410692695531392 Energy: 0.34418218258674643 Energy: 0.07482069136778971 Energy: 0.3441821825860354 Energy: 0.07482069136793518 Energy: 0.34418218258674643 Energy: 0.0748206913649453 Energy: 0.3285034612650815 Energy: 0.07546365261396175 Energy: 0.32850346126593805 Energy: 0.07546365261538394 Energy: 0.3285034612650815 Energy: 0.07546365261253954 Energy: 0.07441313813089087 Energy: 0.1941069269561705 Energy: 0.07441313813061613 Energy: 0.19410692695587958 Energy: 0.0744131381307454 Energy: 0.19410692695744725 Energy: 0.3441821825890252 Energy: 0.07482069136594732 Energy: 0.34418218258858885 Energy: 0.07482069136580187 Energy: 0.3441821825890252 Energy: 0.0748206913649453 Energy: 0.32850346126522695 Energy: 0.07546365261352539 Energy: 0.3285034612662128 Energy: 0.07546365261423649 Energy: 0.32850346126522695 Energy: 0.07546365261281429 Energy: 0.17491349284288973 Energy: 0.19410692695759268 Energy: 0.07441313813089087 Energy: 0.19410692695773812 Energy: 0.1749134928430352 Energy: 0.19410692695886944 Energy: 0.3441821825877323 Energy: 0.07482069136808063 Energy: 0.34418218258674643 Energy: 0.07482069136864627 Energy: 0.34418218258760297 Energy: 0.07482069136651297 Energy: 0.32850346126593805 Energy: 0.07546365261622434 Energy: 0.32850346126677843 Energy: 0.0754636526163698 Energy: 0.32850346126606733 Energy: 0.0754636526145274 Energy: 0.0744131381307454 Energy: 0.1941069269543281 Energy: 0.07441313813103632 Energy: 0.19410692695460283 Energy: 0.07441313813089087 Energy: 0.19410692695646142 minimum gb energy = 0.07441313813061613 eV minimum distance = 2.80892477635466 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.41633278487277886 Energy: 0.3588377135969531 Energy: 0.41633278487320446 Energy: 0.3588377135969531 Energy: 0.41633278487277886 Energy: 0.3588377135969531 Energy: 0.37081407320005466 Energy: 0.3646388786982644 Energy: 0.37081407320005466 Energy: 0.3646388786982644 Energy: 0.3708140732004802 Energy: 0.3646388786982644 Energy: 0.3994457994630402 Energy: 0.3548317506213665 Energy: 0.3994457994638914 Energy: 0.3548317506217922 Energy: 0.3994457994638914 Energy: 0.3548317506217922 Energy: 0.3925604841860973 Energy: 0.3620798089054926 Energy: 0.3925604841852461 Energy: 0.3620798089063437 Energy: 0.3925604841848204 Energy: 0.3620798089059181 Energy: 0.34661425527897866 Energy: 0.38086836336877633 Energy: 0.34661425527642503 Energy: 0.38086836336877633 Energy: 0.34661425527855305 Energy: 0.3808683633683507 Energy: 0.3862446167983384 Energy: 0.40342027087610016 Energy: 0.3862446167983384 Energy: 0.40342027087610016 Energy: 0.3862446167979128 Energy: 0.40342027087610016 Energy: 0.3875968098585324 Energy: 0.3673198478826578 Energy: 0.3875968098602348 Energy: 0.3673198478826578 Energy: 0.3875968098593836 Energy: 0.36731984788308336 Energy: 0.3421524239470095 Energy: 0.3743010792045894 Energy: 0.3421524239465839 Energy: 0.3743010792045894 Energy: 0.3421524239470095 Energy: 0.37430107920416383 Energy: 0.3886218717870191 Energy: 0.3997217723959642 Energy: 0.38862187178744473 Energy: 0.39972177239638984 Energy: 0.38862187178787033 Energy: 0.39972177239638984 Energy: 0.3644339932296939 Energy: 0.3375910822414331 Energy: 0.3644339932305451 Energy: 0.3375910822410074 Energy: 0.36443399323011955 Energy: 0.3375910822414331 Energy: 0.35013835775976326 Energy: 0.3745097333541972 Energy: 0.3501383577601695 Energy: 0.3745097333541972 Energy: 0.3501383577601695 Energy: 0.3745097333537715 Energy: 0.3961089284494928 Energy: 0.402125064473138 Energy: 0.39610892844991835 Energy: 0.4021250644727124 Energy: 0.39610892845034396 Energy: 0.4021250644727124 Energy: 0.3815804380267088 Energy: 0.3329467209267579 Energy: 0.3815804380267088 Energy: 0.3329467209271836 Energy: 0.3815804380267088 Energy: 0.3329467209267579 Energy: 0.34300631597109643 Energy: 0.3799007126531248 Energy: 0.3430063159723732 Energy: 0.3799007126544016 Energy: 0.343006315971522 Energy: 0.3799007126535504 Energy: 0.38457640008450905 Energy: 0.39585331563540405 Energy: 0.38457640008450905 Energy: 0.39585331563540405 Energy: 0.3845764000836772 Energy: 0.39585331563497844 Energy: 0.3540248167836005 Energy: 0.3408475036526745 Energy: 0.3540248167793445 Energy: 0.3408475036526745 Energy: 0.35402481678232367 Energy: 0.3408475036526745 Energy: 0.37075031401506925 Energy: 0.3944777491171238 Energy: 0.37075031401506925 Energy: 0.3944777491171238 Energy: 0.37075031401592046 Energy: 0.3944777491171238 Energy: 0.36721891772835524 Energy: 0.3899731371649875 Energy: 0.36721891772835524 Energy: 0.3899731371658387 Energy: 0.36721891772707843 Energy: 0.38997313716796667 Energy: 0.36676140792880124 Energy: 0.3767321576116073 Energy: 0.3667614079292269 Energy: 0.37673215761118173 Energy: 0.3667614079292269 Energy: 0.3767321576116073 Energy: 0.3734744304470681 Energy: 0.40655555298697543 Energy: 0.3734744304466424 Energy: 0.40655555298697543 Energy: 0.37347443044579126 Energy: 0.406555552987401 Energy: 0.3897053993826728 Energy: 0.37029530509358366 Energy: 0.38970539938182164 Energy: 0.3702953050931581 Energy: 0.38970539938224724 Energy: 0.3702953050931581 Energy: 0.3890171220865094 Energy: 0.38085688516366706 Energy: 0.3890171220852326 Energy: 0.38085688516366706 Energy: 0.3890171220856582 Energy: 0.38085688516366706 Energy: 0.3823087346794724 Energy: 0.38502133324462307 Energy: 0.3823087346790468 Energy: 0.3850213332463255 Energy: 0.3823087346790468 Energy: 0.3850213332467511 Energy: 0.38827356045737077 Energy: 0.3559667089467874 Energy: 0.38827356045737077 Energy: 0.355966708947213 Energy: 0.3882735604577964 Energy: 0.3559667089467874 Energy: 0.36520442509457557 Energy: 0.39944444466132695 Energy: 0.36520442509542683 Energy: 0.39944444466132695 Energy: 0.3652044250950011 Energy: 0.3994444446609014 Energy: 0.34081276568061475 Energy: 0.39962219644902625 Energy: 0.34081276568018914 Energy: 0.3996221964486006 Energy: 0.34081276568104035 Energy: 0.39962219644987745 Energy: 0.40662307196454267 Energy: 0.35612446711005125 Energy: 0.4066230719653939 Energy: 0.35612446711005125 Energy: 0.40662307196496833 Energy: 0.35612446711005125 Energy: 0.39115518198023613 Energy: 0.3892852131526006 Energy: 0.39115518198023613 Energy: 0.3892852131526006 Energy: 0.3911551819806617 Energy: 0.3892852131526006 Energy: 0.3288713210674391 Energy: 0.3829948229763529 Energy: 0.3288713210678647 Energy: 0.3829948229759273 Energy: 0.3288713210674391 Energy: 0.3829948229759273 Energy: 0.3950535479583455 Energy: 0.36363234651560894 Energy: 0.39505354795749437 Energy: 0.36363234651518334 Energy: 0.3950535479583455 Energy: 0.36363234651518334 Energy: 0.39149526482061087 Energy: 0.38591089740805606 Energy: 0.39149526482061087 Energy: 0.38591089740763046 Energy: 0.39149526482061087 Energy: 0.38591089740763046 Energy: 0.33584365189096704 Energy: 0.3479269285412075 Energy: 0.33584365189054144 Energy: 0.3479269285416331 Energy: 0.33584365189139265 Energy: 0.3479269285424843 Energy: 0.3711608226343965 Energy: 0.37420563719989697 Energy: 0.3711608226343965 Energy: 0.3742056372003225 Energy: 0.37116082263354533 Energy: 0.3742056372003225 minimum gb energy = 0.3288713210674391 eV minimum distance = 2.66426167772066 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.45849561354226204 Energy: 0.4216004267800224 Energy: 0.45849561354226204 Energy: 0.4216004267800224 Energy: 0.45849561354226204 Energy: 0.4216004267800224 Energy: 0.42246912634006367 Energy: 0.40590090707203885 Energy: 0.42246912634006367 Energy: 0.40590090707203885 Energy: 0.42246912634006367 Energy: 0.40590090707143234 Energy: 0.445847928131377 Energy: 0.42255552730121376 Energy: 0.445847928131377 Energy: 0.42255552730060736 Energy: 0.4458479281331963 Energy: 0.42255552730121376 Energy: 0.4476982319804482 Energy: 0.39874764095262505 Energy: 0.44769823197862885 Energy: 0.3987476409532315 Energy: 0.44769823198166103 Energy: 0.3987476409532315 Energy: 0.3989683254221998 Energy: 0.41437420179430057 Energy: 0.3989683254228062 Energy: 0.4143742017924813 Energy: 0.3989683254228062 Energy: 0.41437420179430057 Energy: 0.4454966414200301 Energy: 0.441021912684439 Energy: 0.4454966414194237 Energy: 0.44102191268504554 Energy: 0.44549664142063655 Energy: 0.44102191268504554 Energy: 0.38648617911213884 Energy: 0.40291363108870376 Energy: 0.38648617911031957 Energy: 0.40291363108870376 Energy: 0.3864861791115325 Energy: 0.4029136310880973 Energy: 0.44232222311329106 Energy: 0.39725712409134745 Energy: 0.4423222231145039 Energy: 0.3972571240919539 Energy: 0.44232222311389746 Energy: 0.39725712409316677 Energy: 0.45539989017295096 Energy: 0.46194289421440243 Energy: 0.4553998901735574 Energy: 0.46194289421440243 Energy: 0.45539989017295096 Energy: 0.4619428942150089 Energy: 0.38337044133773274 Energy: 0.39871159140043244 Energy: 0.3833704413407649 Energy: 0.3987115914010388 Energy: 0.3833704413371264 Energy: 0.39871159140043244 Energy: 0.42810538295636896 Energy: 0.43030811799838736 Energy: 0.42810538295576256 Energy: 0.4303081179989937 Energy: 0.42810538295697537 Energy: 0.43030811799838736 Energy: 0.39735053784168445 Energy: 0.43904626410955155 Energy: 0.39735053784107804 Energy: 0.43904626410775976 Energy: 0.39735053784168445 Energy: 0.4390462641083663 Energy: 0.4021215636674408 Energy: 0.4320731580593233 Energy: 0.4021215636692601 Energy: 0.4320731580587169 Energy: 0.4021215636692601 Energy: 0.4320731580587169 Energy: 0.40722578402914456 Energy: 0.437844303385501 Energy: 0.40722578402914456 Energy: 0.437844303385501 Energy: 0.40722578402793175 Energy: 0.43784430338610747 Energy: 0.4044188060726061 Energy: 0.4088372437264073 Energy: 0.40441880607078684 Energy: 0.4088372437264073 Energy: 0.4044188060726061 Energy: 0.4088372437264073 Energy: 0.4044400483551006 Energy: 0.4367652831999484 Energy: 0.40444004835328135 Energy: 0.4367652832005549 Energy: 0.4044400483551006 Energy: 0.4367652832005549 Energy: 0.42015761899655063 Energy: 0.4064897714422002 Energy: 0.4201576189959442 Energy: 0.4064897714415938 Energy: 0.42015761899715715 Energy: 0.4064897714415938 Energy: 0.4346292415879325 Energy: 0.39478869958940593 Energy: 0.4346292415867196 Energy: 0.39478869958940593 Energy: 0.4346292415873261 Energy: 0.39478869959001234 Energy: 0.44522921066354615 Energy: 0.45013788209914135 Energy: 0.44522921066293975 Energy: 0.45013788209914135 Energy: 0.44522921066293975 Energy: 0.45013788209914135 Energy: 0.4147647709071405 Energy: 0.4070421586185335 Energy: 0.41476477090532116 Energy: 0.4070421586185335 Energy: 0.4147647709059276 Energy: 0.4070421586185335 Energy: 0.47485117992855747 Energy: 0.39534469061836375 Energy: 0.47485117992673814 Energy: 0.39534469061836375 Energy: 0.47485117992855747 Energy: 0.39534469061836375 Energy: 0.47614998348219345 Energy: 0.45132606675670733 Energy: 0.4761499834827999 Energy: 0.4513260667573138 Energy: 0.47614998348219345 Energy: 0.4513260667573138 Energy: 0.3944637986115277 Energy: 0.39315394701871265 Energy: 0.3944637986115277 Energy: 0.3931539470181062 Energy: 0.39446379861213415 Energy: 0.3931539470168933 minimum gb energy = 0.3833704413371264 eV minimum distance = 2.66993610062533 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.48513979942084623 Energy: 0.412583235811013 Energy: 0.4851397994200769 Energy: 0.412583235811013 Energy: 0.4851397994200769 Energy: 0.412583235811013 Energy: 0.4373998406299145 Energy: 0.4501379001958183 Energy: 0.43739984063068393 Energy: 0.4501379001954336 Energy: 0.4373998406299145 Energy: 0.4501379001958183 Energy: 0.47127619153858785 Energy: 0.4319633156306659 Energy: 0.4712761915393573 Energy: 0.4319633156306659 Energy: 0.4712761915405113 Energy: 0.4319633156310506 Energy: 0.4792402162790113 Energy: 0.42286905404552744 Energy: 0.4792402162782419 Energy: 0.4228690540459122 Energy: 0.4792402162786266 Energy: 0.4228690540459122 Energy: 0.4437946282360183 Energy: 0.443112751937167 Energy: 0.4437946282375572 Energy: 0.44311275193793637 Energy: 0.4437946282348642 Energy: 0.44311275193639754 Energy: 0.5051809980361875 Energy: 0.5031563777429325 Energy: 0.5051809980369569 Energy: 0.5031563777429325 Energy: 0.5051809980377264 Energy: 0.5031563777429325 Energy: 0.44817517790617317 Energy: 0.44693753757707233 Energy: 0.4481751779050191 Energy: 0.44693753757707233 Energy: 0.44817517790540373 Energy: 0.446937537577457 Energy: 0.450415213372735 Energy: 0.47926391616088276 Energy: 0.45041521337388907 Energy: 0.47926391616126746 Energy: 0.4504152133723503 Energy: 0.47926391616088276 Energy: 0.4295331603867973 Energy: 0.4745068982442037 Energy: 0.429533160387182 Energy: 0.47450689824381903 Energy: 0.42953316038756667 Energy: 0.47450689824381903 Energy: 0.47819790462842393 Energy: 0.43832688194170516 Energy: 0.47819790462842393 Energy: 0.43832688194132047 Energy: 0.47819790462765455 Energy: 0.4383268819409358 Energy: 0.44550971993298777 Energy: 0.4718297252702343 Energy: 0.44550971993452665 Energy: 0.47182972526984956 Energy: 0.4455097199341419 Energy: 0.471829725270619 Energy: 0.43913952346262547 Energy: 0.44587764211700315 Energy: 0.4391395234630101 Energy: 0.44587764211700315 Energy: 0.43913952346262547 Energy: 0.44587764211700315 Energy: 0.4905866495426289 Energy: 0.4138331457428953 Energy: 0.49058664954147485 Energy: 0.4138331457436647 Energy: 0.4905866495422443 Energy: 0.4138331457421259 Energy: 0.446270584979821 Energy: 0.43267566144296415 Energy: 0.4462705849794363 Energy: 0.4326756614425795 Energy: 0.446270584979821 Energy: 0.4326756614425795 Energy: 0.46718996428759246 Energy: 0.4316092549551079 Energy: 0.46718996428643833 Energy: 0.43160925495395386 Energy: 0.4671899642868231 Energy: 0.4316092549547232 Energy: 0.47931772383027443 Energy: 0.4737319162162252 Energy: 0.4793177238306592 Energy: 0.4737319162158404 Energy: 0.4793177238310439 Energy: 0.4737319162158404 Energy: 0.43730477440190896 Energy: 0.445433392593899 Energy: 0.4373047744030631 Energy: 0.4454333925935142 Energy: 0.43730477440190896 Energy: 0.445433392593899 Energy: 0.5063630325446505 Energy: 0.474929783124131 Energy: 0.506363032544266 Energy: 0.47492978312336154 Energy: 0.5063630325446505 Energy: 0.47492978312374623 Energy: 0.43729771643812343 Energy: 0.4882712074267873 Energy: 0.43729771643966225 Energy: 0.4882712074267873 Energy: 0.4372977164392775 Energy: 0.4882712074267873 Energy: 0.4426049514195011 Energy: 0.42959680299696185 Energy: 0.4426049514195011 Energy: 0.4295968029965771 Energy: 0.4426049514191165 Energy: 0.4295968029961924 Energy: 0.47609178091270715 Energy: 0.47957806981370166 Energy: 0.47609178091421106 Energy: 0.47957806981370166 Energy: 0.4760917809138263 Energy: 0.47957806981370166 Energy: 0.453821194916474 Energy: 0.426819660112137 Energy: 0.4538211949149351 Energy: 0.426819660112137 Energy: 0.45382119491724343 Energy: 0.426819660112137 Energy: 0.44215171999148456 Energy: 0.4718773281928282 Energy: 0.44215171999148456 Energy: 0.4718773281928282 Energy: 0.4421517199903304 Energy: 0.4718773281928282 Energy: 0.46774966262627254 Energy: 0.4487609379499752 Energy: 0.46774966262704204 Energy: 0.4487609379499752 Energy: 0.4677496626258879 Energy: 0.4487609379499752 Energy: 0.43052406493654727 Energy: 0.4366737072613659 Energy: 0.4305240649350085 Energy: 0.4366737072613659 Energy: 0.43052406493616263 Energy: 0.4366737072613659 Energy: 0.44409026126043455 Energy: 0.4634003906255033 Energy: 0.44409026126120393 Energy: 0.463400390625888 Energy: 0.444090261262358 Energy: 0.4634003906255033 Energy: 0.44874044679266684 Energy: 0.4539206100135678 Energy: 0.44874044679228203 Energy: 0.4539206100135678 Energy: 0.44874044679343617 Energy: 0.4539206100135678 Energy: 0.47751543165304633 Energy: 0.4984544799736237 Energy: 0.47751543165458515 Energy: 0.4984544799736237 Energy: 0.47751543165381577 Energy: 0.4984544799743931 Energy: 0.4478837467181089 Energy: 0.44355399070373414 Energy: 0.4478837467188783 Energy: 0.4435539907045037 Energy: 0.4478837467181089 Energy: 0.44355399070373414 Energy: 0.43592676161834015 Energy: 0.4474553103879893 Energy: 0.43592676161834015 Energy: 0.4474553103879893 Energy: 0.43592676161834015 Energy: 0.4474553103879893 Energy: 0.5144332742416455 Energy: 0.49215215042376775 Energy: 0.5144332742416455 Energy: 0.49215215042415245 Energy: 0.5144332742420302 Energy: 0.492152150423383 Energy: 0.4431951225466442 Energy: 0.4344812542701178 Energy: 0.4431951225474136 Energy: 0.4344812542712718 Energy: 0.443195122547029 Energy: 0.4344812542712718 Energy: 0.47768513781041216 Energy: 0.47095450423310264 Energy: 0.47768513781041216 Energy: 0.47095450423348734 Energy: 0.47768513781041216 Energy: 0.47095450423310264 Energy: 0.4454158965665835 Energy: 0.43175579845448187 Energy: 0.4454158965669682 Energy: 0.43175579845602075 Energy: 0.4454158965677376 Energy: 0.43175579845409723 Energy: 0.44771224857062464 Energy: 0.4319397519838371 Energy: 0.4477122485690858 Energy: 0.4319397519830677 Energy: 0.44771224857177877 Energy: 0.4319397519830677 Energy: 0.4840854299307692 Energy: 0.4145623077828007 Energy: 0.4840854299319233 Energy: 0.4145623077828007 Energy: 0.4840854299303845 Energy: 0.4145623077820313 Energy: 0.43700223454973525 Energy: 0.43370199014923655 Energy: 0.4370022345493505 Energy: 0.43370199014923655 Energy: 0.4370022345493505 Energy: 0.43370199014923655 minimum gb energy = 0.412583235811013 eV minimum distance = 2.65176931837706 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5275718574301241 Energy: 0.4788045073979327 Energy: 0.5275718574301241 Energy: 0.4788045073979327 Energy: 0.5275718574301241 Energy: 0.4788045073979327 Energy: 0.49076115602792125 Energy: 0.48358416596565457 Energy: 0.49076115602792125 Energy: 0.48358416596670495 Energy: 0.49076115602792125 Energy: 0.48358416596565457 Energy: 0.5193668327394829 Energy: 0.49344867298864736 Energy: 0.5193668327394829 Energy: 0.49344867298864736 Energy: 0.5193668327394829 Energy: 0.49344867298864736 Energy: 0.5022495706021525 Energy: 0.5088969474450372 Energy: 0.5022495706032027 Energy: 0.508896947443987 Energy: 0.5022495706021525 Energy: 0.5088969474450372 Energy: 0.5347986066756105 Energy: 0.4840784226056246 Energy: 0.5347986066745601 Energy: 0.4840784226056246 Energy: 0.5347986066756105 Energy: 0.4840784226066511 Energy: 0.5390766669448743 Energy: 0.514013633510616 Energy: 0.5390766669427736 Energy: 0.514013633510616 Energy: 0.5390766669448743 Energy: 0.5140136335116663 Energy: 0.5187936368437668 Energy: 0.47392624686468154 Energy: 0.5187936368427166 Energy: 0.47392624686468154 Energy: 0.5187936368437668 Energy: 0.47392624686468154 Energy: 0.48984446750703087 Energy: 0.49419153946185185 Energy: 0.48984446750808125 Energy: 0.49419153946185185 Energy: 0.48984446750703087 Energy: 0.49419153946185185 Energy: 0.48350846934000546 Energy: 0.4687842662966318 Energy: 0.48350846934000546 Energy: 0.46878426629558145 Energy: 0.48350846934000546 Energy: 0.46878426629558145 Energy: 0.5005950193072338 Energy: 0.4797753494732673 Energy: 0.5005950193072338 Energy: 0.4797753494732673 Energy: 0.5005950193082842 Energy: 0.4797753494732673 Energy: 0.4867004366508267 Energy: 0.4934266313090656 Energy: 0.4867004366508267 Energy: 0.4934266313090656 Energy: 0.4867004366497764 Energy: 0.4934266313090656 Energy: 0.5073003955933242 Energy: 0.48371927009208043 Energy: 0.5073003955933242 Energy: 0.48371927009208043 Energy: 0.5073003955933242 Energy: 0.48371927009208043 Energy: 0.526951114446938 Energy: 0.510717933589672 Energy: 0.526951114446938 Energy: 0.510717933589672 Energy: 0.5269511144458876 Energy: 0.5107179335886218 Energy: 0.5349226962590211 Energy: 0.4939166029611748 Energy: 0.5349226962590211 Energy: 0.4939166029601244 Energy: 0.5349226962590211 Energy: 0.4939166029611748 minimum gb energy = 0.46878426629558145 eV minimum distance = 2.64717699621935 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5712249519376967 Energy: 0.5309715489635353 Energy: 0.5712249519381583 Energy: 0.5309715489635353 Energy: 0.5712249519372354 Energy: 0.5309715489635353 Energy: 0.537126433926152 Energy: 0.5375034363329286 Energy: 0.5371264339252292 Energy: 0.5375034363329286 Energy: 0.5371264339256905 Energy: 0.5375034363324672 Energy: 0.5434121774601509 Energy: 0.544471524000918 Energy: 0.5434121774601509 Energy: 0.544471524000918 Energy: 0.5434121774601509 Energy: 0.544471524000918 Energy: 0.557435025362798 Energy: 0.5404047529123801 Energy: 0.5574350253623366 Energy: 0.5404047529123801 Energy: 0.5574350253623366 Energy: 0.5404047529123801 Energy: 0.5531004794135203 Energy: 0.5389715317457306 Energy: 0.5531004794135203 Energy: 0.538971531746192 Energy: 0.5531004794139817 Energy: 0.5389715317452691 Energy: 0.5301224036705143 Energy: 0.5607740412656108 Energy: 0.5301224036705143 Energy: 0.5607740412656108 Energy: 0.5301224036705143 Energy: 0.5607740412656108 Energy: 0.5497828779970537 Energy: 0.5326254773752944 Energy: 0.5497828779961309 Energy: 0.5326254773752944 Energy: 0.5497828779961309 Energy: 0.5326254773752944 Energy: 0.537208713367646 Energy: 0.5469648400848169 Energy: 0.537208713367646 Energy: 0.5469648400848169 Energy: 0.5372087133672054 Energy: 0.5469648400843556 Energy: 0.548672130434397 Energy: 0.5310404380953839 Energy: 0.5486721304339357 Energy: 0.5310404380949225 Energy: 0.5486721304339357 Energy: 0.5310404380949225 Energy: 0.5375175769552339 Energy: 0.5549756536476638 Energy: 0.5375175769543111 Energy: 0.5549756536476638 Energy: 0.5375175769547726 Energy: 0.5549756536472024 Energy: 0.5340938840394297 Energy: 0.5481607038605335 Energy: 0.5340938840385068 Energy: 0.5481607038605335 Energy: 0.5340938840394297 Energy: 0.5481607038605335 Energy: 0.538694022585911 Energy: 0.5662169602369841 Energy: 0.5386940225854496 Energy: 0.5662169602369841 Energy: 0.538694022585911 Energy: 0.5662169602369841 Energy: 0.5546671715241575 Energy: 0.5404629073080222 Energy: 0.5546671715246188 Energy: 0.5404629073080222 Energy: 0.5546671715236959 Energy: 0.5404629073080222 Energy: 0.522765382288052 Energy: 0.5465271027255312 Energy: 0.5227653822866677 Energy: 0.5465271027255312 Energy: 0.5227653822866677 Energy: 0.5465271027255312 Energy: 0.5346284942970578 Energy: 0.5335672452958531 Energy: 0.5346284942975192 Energy: 0.5335672452963144 Energy: 0.5346284942965964 Energy: 0.5335672452958531 Energy: 0.5463705434176831 Energy: 0.5326774975074187 Energy: 0.5463705434172216 Energy: 0.5326774975078802 Energy: 0.5463705434181444 Energy: 0.5326774975078802 Energy: 0.5341429948544265 Energy: 0.54130556405812 Energy: 0.534142994854888 Energy: 0.54130556405812 Energy: 0.5341429948539651 Energy: 0.5413055640576795 Energy: 0.5553408154705916 Energy: 0.5546376838767659 Energy: 0.55534081547013 Energy: 0.5546376838767659 Energy: 0.5553408154705916 Energy: 0.5546376838772273 Energy: 0.5273394962421791 Energy: 0.5179670055640067 Energy: 0.5273394962421791 Energy: 0.5179670055644471 Energy: 0.5273394962417178 Energy: 0.5179670055644471 Energy: 0.5499507369605828 Energy: 0.5402450957720976 Energy: 0.5499507369615056 Energy: 0.5402450957720976 Energy: 0.5499507369610442 Energy: 0.5402450957720976 Energy: 0.5341795969734823 Energy: 0.5312395934892983 Energy: 0.5341795969734823 Energy: 0.5312395934897596 Energy: 0.5341795969734823 Energy: 0.5312395934892983 Energy: 0.5704553210388307 Energy: 0.5321227422470552 Energy: 0.5704553210388307 Energy: 0.5321227422475168 Energy: 0.5704553210388307 Energy: 0.5321227422475168 Energy: 0.5428921176285936 Energy: 0.5414448128777845 Energy: 0.5428921176295164 Energy: 0.5414448128777845 Energy: 0.5428921176285936 Energy: 0.541444812878246 Energy: 0.5608885470541406 Energy: 0.5339498475839309 Energy: 0.5608885470546021 Energy: 0.5339498475839309 Energy: 0.5608885470541406 Energy: 0.5339498475839309 Energy: 0.5344734559760437 Energy: 0.537715052338217 Energy: 0.5344734559755822 Energy: 0.5377150523386574 Energy: 0.5344734559755822 Energy: 0.5377150523391189 Energy: 0.5486703508648776 Energy: 0.5512364509178558 Energy: 0.5486703508653391 Energy: 0.5512364509178558 Energy: 0.5486703508658004 Energy: 0.5512364509183173 Energy: 0.5224586902508227 Energy: 0.5444386823004367 Energy: 0.5224586902508227 Energy: 0.5444386823032052 Energy: 0.5224586902512841 Energy: 0.5444386823027438 Energy: 0.5504168119405443 Energy: 0.5370421994731306 Energy: 0.550416811940083 Energy: 0.5370421994731306 Energy: 0.550416811940083 Energy: 0.5370421994731306 Energy: 0.524194267671122 Energy: 0.5483385143861788 Energy: 0.5241942676715834 Energy: 0.5483385143861788 Energy: 0.5241942676720448 Energy: 0.5483385143861788 Energy: 0.5314352960651839 Energy: 0.5297197337017364 Energy: 0.5314352960656453 Energy: 0.5297197337017364 Energy: 0.5314352960651839 Energy: 0.5297197337017364 Energy: 0.5415289092002444 Energy: 0.5674633720203724 Energy: 0.5415289092007057 Energy: 0.5674633720203724 Energy: 0.5415289092007057 Energy: 0.5674633720203724 minimum gb energy = 0.5179670055640067 eV minimum distance = 2.6259832496096 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5021190819208502 Energy: 0.510906655819084 Energy: 0.5021190819216713 Energy: 0.5109066558199051 Energy: 0.502119081920029 Energy: 0.5109066558199051 Energy: 0.5384372198557383 Energy: 0.5773673580399019 Energy: 0.5384372198557383 Energy: 0.5773673580399019 Energy: 0.5384372198549171 Energy: 0.5773673580399019 Energy: 0.518723254902155 Energy: 0.5145447484601215 Energy: 0.5187232549005129 Energy: 0.5145447484584793 Energy: 0.5187232549005129 Energy: 0.5145447484593004 Energy: 0.5258612866239266 Energy: 0.5551069687505235 Energy: 0.5258612866239266 Energy: 0.5551069687472389 Energy: 0.5258612866239266 Energy: 0.55510696874806 Energy: 0.5187370527977145 Energy: 0.5145687491585955 Energy: 0.5187370527968935 Energy: 0.5145687491594166 Energy: 0.5187370527977145 Energy: 0.5145687491635222 Energy: 0.5382061040303795 Energy: 0.5047142225311853 Energy: 0.538206104029577 Energy: 0.504714222528722 Energy: 0.538206104029577 Energy: 0.5047142225295431 Energy: 0.5021190819241346 Energy: 0.5109066558166206 Energy: 0.5021190819257768 Energy: 0.5109066558166206 Energy: 0.5021190819241346 Energy: 0.5109066558166206 Energy: 0.5384372198590227 Energy: 0.577367358040723 Energy: 0.5384372198582016 Energy: 0.577367358040723 Energy: 0.5384372198590227 Energy: 0.577367358040723 Energy: 0.5187232548980681 Energy: 0.5145447484560159 Energy: 0.5187232548980681 Energy: 0.5145447484568371 Energy: 0.5187232548980681 Energy: 0.5145447484560159 Energy: 0.5258612866255689 Energy: 0.5891112589259501 Energy: 0.52586128662639 Energy: 0.6217715891467274 Energy: 0.52586128662639 Energy: 0.5704450186421846 Energy: 0.5187370527985357 Energy: 0.51456874916188 Energy: 0.5187370527977145 Energy: 0.5145687491577744 Energy: 0.5187370527977145 Energy: 0.5145687491577744 Energy: 0.5382061040246504 Energy: 0.5047142225279009 Energy: 0.5382061040246504 Energy: 0.5047142225270798 Energy: 0.5382061040246504 Energy: 0.5047142225262587 Energy: 0.5021190819208502 Energy: 0.510906655819084 Energy: 0.5021190819216713 Energy: 0.510906655819084 Energy: 0.5021190819208502 Energy: 0.510906655819084 Energy: 0.5384372198557383 Energy: 0.5773673580399019 Energy: 0.5384372198557383 Energy: 0.5773673580399019 Energy: 0.5384372198565593 Energy: 0.5773673580390808 Energy: 0.518723254901334 Energy: 0.5145447484593004 Energy: 0.5187232548996916 Energy: 0.5145447484568371 Energy: 0.518723254901334 Energy: 0.5145447484601215 Energy: 0.5258612866239266 Energy: 0.5891112589243079 Energy: 0.5258612866239266 Energy: 0.589111258925129 Energy: 0.5258612866239266 Energy: 0.6217715891450851 Energy: 0.5187370527960724 Energy: 0.5145687491585955 Energy: 0.5187370527968935 Energy: 0.5145687491594166 Energy: 0.5187370527977145 Energy: 0.51456874916188 minimum gb energy = 0.502119081920029 eV minimum distance = 2.63507238308013 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5425251075847767 Energy: 0.5457720364722538 Energy: 0.542525107586788 Energy: 0.5457720364722538 Energy: 0.5425251075854471 Energy: 0.5457720364715835 Energy: 0.5695791092315426 Energy: 0.5492313639487495 Energy: 0.5695791092295313 Energy: 0.549231363948079 Energy: 0.5695791092295313 Energy: 0.549231363948079 Energy: 0.5562276046539674 Energy: 0.551317586013966 Energy: 0.5562276046526264 Energy: 0.5513175860146365 Energy: 0.5562276046546378 Energy: 0.5513175860146365 Energy: 0.5367151309067848 Energy: 0.5838826615844576 Energy: 0.5367151309081256 Energy: 0.5838826615844576 Energy: 0.5367151309067848 Energy: 0.5838826615851281 Energy: 0.5854330653930461 Energy: 0.547372324132321 Energy: 0.5854330653930461 Energy: 0.547372324132321 Energy: 0.5854330653930461 Energy: 0.5473723241309801 Energy: 0.5682767789029268 Energy: 0.5456560297655333 Energy: 0.5682767789029268 Energy: 0.5456560297662036 Energy: 0.5682767789022565 Energy: 0.5456560297655333 Energy: 0.53359463926765 Energy: 0.5464621086011556 Energy: 0.5335946392683205 Energy: 0.546462108602466 Energy: 0.5335946392683205 Energy: 0.546462108602466 Energy: 0.5581968464463958 Energy: 0.6004956787689749 Energy: 0.5581968464443845 Energy: 0.6004956787696453 Energy: 0.5581968464457253 Energy: 0.6004956787703158 Energy: 0.600057986802005 Energy: 0.5493557536236574 Energy: 0.6000579868026754 Energy: 0.5493557536216461 Energy: 0.6000579868026754 Energy: 0.5493557536196347 Energy: 0.5247105516492518 Energy: 0.5406478794070367 Energy: 0.5247105516499222 Energy: 0.5406478794070367 Energy: 0.5247105516499222 Energy: 0.5406478794070367 Energy: 0.5556140998012784 Energy: 0.5573208339143939 Energy: 0.5556140998012784 Energy: 0.5573208339150644 Energy: 0.5556140998039297 Energy: 0.5573208339150644 Energy: 0.5624868305466281 Energy: 0.5315281168719788 Energy: 0.5624868305452873 Energy: 0.531528116869297 Energy: 0.5624868305466281 Energy: 0.5315281168699675 Energy: 0.5372506504460078 Energy: 0.5864391960569882 Energy: 0.5372506504473487 Energy: 0.5864391960569882 Energy: 0.5372506504466782 Energy: 0.5864391960569882 Energy: 0.5737871528767999 Energy: 0.5587250870154313 Energy: 0.5737871528761295 Energy: 0.5587250870154313 Energy: 0.5737871528774703 Energy: 0.5587250870154313 Energy: 0.5704417565247901 Energy: 0.5487466292872734 Energy: 0.5704417565247901 Energy: 0.5487466292872734 Energy: 0.5704417565234493 Energy: 0.5487466292872734 Energy: 0.538371171874123 Energy: 0.5477312449353742 Energy: 0.538371171872782 Energy: 0.5477312449347037 Energy: 0.5383711718768046 Energy: 0.5477312449353742 Energy: 0.5542988431771853 Energy: 0.5482084304504129 Energy: 0.5542988431771853 Energy: 0.5482084304497425 Energy: 0.5542988431778557 Energy: 0.5482084304497425 Energy: 0.606014737743217 Energy: 0.5424318479635334 Energy: 0.606014737743217 Energy: 0.5424318479635334 Energy: 0.6060147377438875 Energy: 0.5424318479635334 Energy: 0.5457284777498165 Energy: 0.5575659943453861 Energy: 0.5457284777484757 Energy: 0.5575659943453861 Energy: 0.545728477749146 Energy: 0.5575659943453861 Energy: 0.53917330999664 Energy: 0.5574805997450846 Energy: 0.5391733099959695 Energy: 0.5574805997450846 Energy: 0.5391733099979809 Energy: 0.5574805997450846 Energy: 0.5605914671194566 Energy: 0.5299748006156365 Energy: 0.5605914671194566 Energy: 0.5299748006156365 Energy: 0.5605914671194566 Energy: 0.5299748006149662 minimum gb energy = 0.5247105516492518 eV minimum distance = 2.61620636876486 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.5951090093387739 Energy: 0.5348236643615886 Energy: 0.5951090093387739 Energy: 0.5348236643615886 Energy: 0.5951090093382088 Energy: 0.5348236643610235 Energy: 0.5278041375830423 Energy: 0.5195213701663215 Energy: 0.5278041375841727 Energy: 0.5195213701663215 Energy: 0.527804137581912 Energy: 0.5195213701668866 Energy: 0.5427411869885658 Energy: 0.5026803814081365 Energy: 0.542741186989131 Energy: 0.5026803814075715 Energy: 0.542741186989131 Energy: 0.5026803814081365 Energy: 0.5355539017199134 Energy: 0.5461748517359958 Energy: 0.5355539017204783 Energy: 0.5461748517331702 Energy: 0.5355539017216087 Energy: 0.5461748517343004 Energy: 0.5320766126606912 Energy: 0.5203329119006345 Energy: 0.5320766126612564 Energy: 0.5203329119000693 Energy: 0.5320766126618215 Energy: 0.5203329119006345 Energy: 0.5071641983454784 Energy: 0.5722584085353947 Energy: 0.5071641983460434 Energy: 0.572258408532569 Energy: 0.5071641983460434 Energy: 0.5722584085331343 Energy: 0.4986257533738524 Energy: 0.5249321301591854 Energy: 0.49862575337441756 Energy: 0.5249321301586203 Energy: 0.4986257533738524 Energy: 0.5249321301591854 Energy: 0.5037691214264401 Energy: 0.5185816393791242 Energy: 0.5037691214241798 Energy: 0.5185816393791242 Energy: 0.50376912142531 Energy: 0.518581639377994 Energy: 0.5114948865590009 Energy: 0.5352152863319563 Energy: 0.5114948865573056 Energy: 0.5352152863342167 Energy: 0.5114948865584359 Energy: 0.5352152863353469 Energy: 0.5354887686722085 Energy: 0.509113521270469 Energy: 0.5354887686722085 Energy: 0.509113521269904 Energy: 0.5354887686727736 Energy: 0.509113521269904 Energy: 0.53549375224936 Energy: 0.5205122888027293 Energy: 0.5354937522482298 Energy: 0.5205122888027293 Energy: 0.5354937522482298 Energy: 0.5205122888027293 Energy: 0.5221128461538275 Energy: 0.5158169051620498 Energy: 0.5221128461538275 Energy: 0.5158169051620498 Energy: 0.5221128461538275 Energy: 0.5158169051620498 Energy: 0.5076838818659719 Energy: 0.5460699551119206 Energy: 0.5076838818654068 Energy: 0.5460699551113555 Energy: 0.5076838818654068 Energy: 0.5460699551113555 Energy: 0.48969541231912167 Energy: 0.5095910013770081 Energy: 0.489695412320252 Energy: 0.509591001376443 Energy: 0.48969541231912167 Energy: 0.5095910013770081 Energy: 0.5071311988414116 Energy: 0.5598512744875601 Energy: 0.5071311988414116 Energy: 0.5598512744869949 Energy: 0.5071311988397162 Energy: 0.5598512744875601 Energy: 0.5184950567888426 Energy: 0.547858091174647 Energy: 0.5184950567899729 Energy: 0.5478580911740819 Energy: 0.5184950567899729 Energy: 0.5478580911740819 Energy: 0.5109988596440336 Energy: 0.5431972057162036 Energy: 0.5109988596434686 Energy: 0.5431972057162036 Energy: 0.5109988596440336 Energy: 0.5431972057162036 Energy: 0.5447982567570102 Energy: 0.5323944224702212 Energy: 0.5447982567570102 Energy: 0.5323944224702212 Energy: 0.5447982567564451 Energy: 0.5323944224702212 Energy: 0.4727133400761685 Energy: 0.5315005734159085 Energy: 0.4727133400756034 Energy: 0.5315005734153434 Energy: 0.47271334007449883 Energy: 0.5315005734176038 Energy: 0.5951090093376437 Energy: 0.534823664363284 Energy: 0.5951090093365135 Energy: 0.5348236643627188 Energy: 0.5951090093382088 Energy: 0.534823664363284 Energy: 0.5278041375796516 Energy: 0.5195213701702774 Energy: 0.5278041375790865 Energy: 0.5195213701702774 Energy: 0.5278041375785214 Energy: 0.5195213701708424 Energy: 0.5427411869863054 Energy: 0.5026803814115275 Energy: 0.5427411869874356 Energy: 0.5026803814103972 Energy: 0.5427411869880007 Energy: 0.5026803814109623 Energy: 0.535553901722739 Energy: 0.5461748517286491 Energy: 0.5355539017238692 Energy: 0.5461748517309096 Energy: 0.5355539017221738 Energy: 0.5461748517286491 Energy: 0.5320766126635169 Energy: 0.5203329119057205 Energy: 0.5320766126612564 Energy: 0.5203329119057205 Energy: 0.5320766126629518 Energy: 0.5203329119057205 Energy: 0.5071641983443481 Energy: 0.5722584085376551 Energy: 0.5071641983443481 Energy: 0.5722584085370901 Energy: 0.507164198343783 Energy: 0.5722584085376551 minimum gb energy = 0.47271334007449883 eV minimum distance = 2.63089010428005 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5234811091419949 Energy: 0.588191526851682 Energy: 0.523481109141507 Energy: 0.5881915268521697 Energy: 0.5234811091419949 Energy: 0.588191526851682 Energy: 0.53341163076637 Energy: 0.5147971368640722 Energy: 0.53341163076637 Energy: 0.5147971368826092 Energy: 0.5334116307668578 Energy: 0.5147971368304355 Energy: 0.5317165731833106 Energy: 0.4743143778547739 Energy: 0.5317165731828227 Energy: 0.4743143778533105 Energy: 0.5317165731837983 Energy: 0.47431437785574954 Energy: 0.4704817657105389 Energy: 0.535208122124392 Energy: 0.4704817657085877 Energy: 0.535208122124392 Energy: 0.4704817657095633 Energy: 0.535208122124392 Energy: 0.506521863242953 Energy: 0.5333908531009104 Energy: 0.5065218632366115 Energy: 0.5333908531009104 Energy: 0.5065218632390506 Energy: 0.5333908531013982 Energy: 0.5248223934282743 Energy: 0.47278305770456824 Energy: 0.5248223934287621 Energy: 0.4727830577070073 Energy: 0.5248223934282743 Energy: 0.4727830577050561 Energy: 0.5063884070981561 Energy: 0.5383841234908441 Energy: 0.5063884070971805 Energy: 0.5383841234893806 Energy: 0.5063884070971805 Energy: 0.5383841234898684 Energy: 0.4915328680648019 Energy: 0.5688309383830676 Energy: 0.4915328680599238 Energy: 0.5688309383825798 Energy: 0.4915328680604116 Energy: 0.5688309383825798 Energy: 0.5428185095104806 Energy: 0.4637419684824618 Energy: 0.5428185095104806 Energy: 0.4637419684824618 Energy: 0.5428185095109683 Energy: 0.46374196848294963 Energy: 0.5440655672974628 Energy: 0.5156647416272431 Energy: 0.5440655672979506 Energy: 0.5156647416277309 Energy: 0.5440655672979506 Energy: 0.5156647416277309 Energy: 0.46693455535419287 Energy: 0.563951111125524 Energy: 0.4669345553429732 Energy: 0.563951111125524 Energy: 0.4669345553444366 Energy: 0.563951111125524 Energy: 0.5463108869542388 Energy: 0.5012517210182016 Energy: 0.5463108869547266 Energy: 0.5012517210182016 Energy: 0.546310886953751 Energy: 0.5012517210182016 Energy: 0.5150948688821246 Energy: 0.5060735648804158 Energy: 0.5150948688918808 Energy: 0.506076483961183 Energy: 0.5150948688879784 Energy: 0.5060819101580425 Energy: 0.47137545198160496 Energy: 0.5210026648226982 Energy: 0.47137545197965375 Energy: 0.5210026648222105 Energy: 0.47137545198160496 Energy: 0.5210026648222105 Energy: 0.5248785918075772 Energy: 0.46348385279957166 Energy: 0.5248785918109918 Energy: 0.4634838527956691 Energy: 0.5248785918095284 Energy: 0.46348385279274223 Energy: 0.5293057705354506 Energy: 0.46448434702507435 Energy: 0.5293057705364262 Energy: 0.4644843470206841 Energy: 0.5293057705359384 Energy: 0.46448434702361097 Energy: 0.49157185198017483 Energy: 0.5333031058916479 Energy: 0.4915718519787114 Energy: 0.5333031058921356 Energy: 0.491571851979687 Energy: 0.5333031058916479 Energy: 0.5335156025145826 Energy: 0.5215866133569642 Energy: 0.5335156025121435 Energy: 0.5215866133584276 Energy: 0.5335156025092167 Energy: 0.5215866133579398 Energy: 0.545782604384951 Energy: 0.47423699207636794 Energy: 0.545782604384951 Energy: 0.4742369920753923 Energy: 0.545782604384951 Energy: 0.47423699207734354 Energy: 0.4736343317305046 Energy: 0.5432069948695982 Energy: 0.47363433163737684 Energy: 0.5432069948695982 Energy: 0.47363433180023956 Energy: 0.5432069948695982 Energy: 0.4632723019667218 Energy: 0.5636046364527598 Energy: 0.4632725016634551 Energy: 0.5636046364527598 Energy: 0.46327230637069006 Energy: 0.5636046364532477 Energy: 0.5423030283041881 Energy: 0.47425837843576313 Energy: 0.5423030283051636 Energy: 0.4742583784362509 Energy: 0.5423030283032124 Energy: 0.4742583784362509 Energy: 0.5351896873423695 Energy: 0.5097538397228419 Energy: 0.5351896873409061 Energy: 0.5097538397213784 Energy: 0.5351896873394426 Energy: 0.5097538397189394 Energy: 0.4997613284111684 Energy: 0.5768682756127311 Energy: 0.4997613284126318 Energy: 0.576868275613219 Energy: 0.49976132841165616 Energy: 0.5768682756127311 Energy: 0.5431762386058137 Energy: 0.4750011775534674 Energy: 0.5431762386063015 Energy: 0.47500117755639426 Energy: 0.5431762386058137 Energy: 0.475001177554443 Energy: 0.5181783795292928 Energy: 0.49364835594975753 Energy: 0.5181783795297805 Energy: 0.4936483559521966 Energy: 0.518178379528805 Energy: 0.49364835595317225 Energy: 0.4639063713621619 Energy: 0.5224278762579252 Energy: 0.4639063713655765 Energy: 0.5224278762574374 Energy: 0.4639063713631375 Energy: 0.5224278762574374 Energy: 0.5424954213704352 Energy: 0.4823751398530051 Energy: 0.5424954213704352 Energy: 0.48237513984763913 Energy: 0.5424954213694596 Energy: 0.482375139850566 Energy: 0.5590804626458974 Energy: 0.4725687510714638 Energy: 0.5590804626463852 Energy: 0.47256875107097596 Energy: 0.5590804626463852 Energy: 0.4725687510704882 minimum gb energy = 0.4632723019667218 eV minimum distance = 2.61066022451315 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.4649284323142152 Energy: 0.5294638865826299 Energy: 0.46492843231550174 Energy: 0.5294638865826299 Energy: 0.464928432317217 Energy: 0.529463886582201 Energy: 0.5146410676032318 Energy: 0.453786192780015 Energy: 0.5146410676015166 Energy: 0.4537861929373106 Energy: 0.514641067602803 Energy: 0.45378619254641056 Energy: 0.5300676882609023 Energy: 0.48209815552378454 Energy: 0.5300676882613311 Energy: 0.4820981555233557 Energy: 0.5300676882613311 Energy: 0.4820981555233557 Energy: 0.4388218510063605 Energy: 0.5424139357533397 Energy: 0.43882185100678933 Energy: 0.5424139357537686 Energy: 0.43882185100464527 Energy: 0.5424139357533397 Energy: 0.4483467050982913 Energy: 0.512340771015046 Energy: 0.44834670416775224 Energy: 0.5123407710159036 Energy: 0.4483467049906987 Energy: 0.5123407710154748 Energy: 0.5230007316795062 Energy: 0.4401309320748334 Energy: 0.5230007316795062 Energy: 0.440130932075691 Energy: 0.5230007316795062 Energy: 0.44013093207652915 Energy: 0.4701776706804849 Energy: 0.5320119330074559 Energy: 0.4701776706774832 Energy: 0.532011933007027 Energy: 0.4701776706774832 Energy: 0.532011933007027 Energy: 0.44386902181695403 Energy: 0.5360883659699389 Energy: 0.44386902181695403 Energy: 0.5360883659707965 Energy: 0.4438690218220803 Energy: 0.5360883659712253 Energy: 0.5230555337876868 Energy: 0.4416237379389325 Energy: 0.5230555337881156 Energy: 0.44162373794064774 Energy: 0.5230555337876868 Energy: 0.4416237379402189 Energy: 0.4814879396915948 Energy: 0.4978341338557094 Energy: 0.48148793969631165 Energy: 0.49783413220379363 Energy: 0.4814879396924524 Energy: 0.4978341344424786 Energy: 0.4376614713497329 Energy: 0.5740721543873716 Energy: 0.4376614713510193 Energy: 0.5740721543873716 Energy: 0.43766147135059047 Energy: 0.5740721543873716 Energy: 0.5414084986164456 Energy: 0.47899430184760267 Energy: 0.5414084986147303 Energy: 0.4789943018450298 Energy: 0.5414084986173032 Energy: 0.478994301846745 Energy: 0.5152646087578613 Energy: 0.44625613969945804 Energy: 0.5152646087578613 Energy: 0.4462561397024597 Energy: 0.5152646087587189 Energy: 0.4462561397033173 Energy: 0.4805964170254742 Energy: 0.5193707365122885 Energy: 0.480596417025903 Energy: 0.5193707365118595 Energy: 0.4805964170254742 Energy: 0.5193707365122885 Energy: 0.4817062154799044 Energy: 0.48773394836492906 Energy: 0.48170621547561626 Energy: 0.4877339483657867 Energy: 0.4817062154657536 Energy: 0.48773394836535794 Energy: 0.5203346182954335 Energy: 0.48122180364182643 Energy: 0.5203346182958623 Energy: 0.48122180364225525 Energy: 0.5203346182954335 Energy: 0.48122180364054 Energy: 0.4377540311907049 Energy: 0.5443765728459911 Energy: 0.4377540311795559 Energy: 0.5443765728464198 Energy: 0.4377540311834152 Energy: 0.5443765728464198 Energy: 0.43805666841360474 Energy: 0.5104498737194259 Energy: 0.43805666842046564 Energy: 0.5104498737194259 Energy: 0.43805666841660634 Energy: 0.5104498737198547 Energy: 0.5224983827752581 Energy: 0.4416340541886755 Energy: 0.5224983827752581 Energy: 0.4416340541878179 Energy: 0.5224983827744005 Energy: 0.4416340541895332 Energy: 0.47009282423924054 Energy: 0.4666927051131808 Energy: 0.47009282423581006 Energy: 0.46669742574771267 Energy: 0.47009282424181337 Energy: 0.4666987631164049 Energy: 0.4444584396859595 Energy: 0.60283251844523 Energy: 0.4444584396906765 Energy: 0.60283251844523 Energy: 0.44445843968767473 Energy: 0.60283251844523 Energy: 0.5750923938769632 Energy: 0.4408174909801354 Energy: 0.5750923938752479 Energy: 0.44081749097713363 Energy: 0.575092393877392 Energy: 0.44081749097670486 Energy: 0.515415849381718 Energy: 0.44141961155601994 Energy: 0.5154158493937052 Energy: 0.44141961162201776 Energy: 0.5154158493791451 Energy: 0.44141961176303807 Energy: 0.43892976922011734 Energy: 0.5329920134009337 Energy: 0.43892976922140375 Energy: 0.5329920134009337 Energy: 0.4389297692205461 Energy: 0.532992013400505 Energy: 0.5287796866633018 Energy: 0.4679682623545379 Energy: 0.5287796866620154 Energy: 0.4679820436560617 Energy: 0.528779686662873 Energy: 0.4679690290339528 Energy: 0.5143843187428536 Energy: 0.4470922919138524 Energy: 0.5143843187445688 Energy: 0.4470922919099931 Energy: 0.51438431874414 Energy: 0.44709229191771177 Energy: 0.4818063079962299 Energy: 0.5492940203937671 Energy: 0.4818063079975164 Energy: 0.5492940203941958 Energy: 0.4818063079962299 Energy: 0.5492940203937671 Energy: 0.48175042612625957 Energy: 0.5137542389116937 Energy: 0.4817504261211139 Energy: 0.5137542389121225 Energy: 0.48175042612240027 Energy: 0.5137542389112649 Energy: 0.53318867438176 Energy: 0.44579091336779414 Energy: 0.5331886743821888 Energy: 0.4457909133660789 Energy: 0.53318867438176 Energy: 0.4457909133673654 Energy: 0.43840979495876814 Energy: 0.4913906483503563 Energy: 0.43840979495362237 Energy: 0.49139518280032907 Energy: 0.43840979495705285 Energy: 0.49138477703361433 Energy: 0.4378405000173861 Energy: 0.5170165515294469 Energy: 0.4378405000148133 Energy: 0.5170165515294469 Energy: 0.4378405000178149 Energy: 0.5170165515298758 Energy: 0.522856343773181 Energy: 0.44108438353289675 Energy: 0.522856343773181 Energy: 0.4410843835333256 Energy: 0.5228563437740388 Energy: 0.4410843835324679 Energy: 0.5732577275673844 Energy: 0.4403156193858936 Energy: 0.5732577275665266 Energy: 0.44031561938117664 Energy: 0.5732577275669554 Energy: 0.44031561939747144 minimum gb energy = 0.4376614713497329 eV minimum distance = 2.63082469241867 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011837676978749849 Energy: 0.46688606415805084 Energy: 0.011837676978749849 Energy: 0.46688606415838735 Energy: 0.011837676978749849 Energy: 0.46688606415805084 Energy: 0.012794219852018314 Energy: 0.1783754271054267 Energy: 0.012794219851325539 Energy: 0.17837542710473392 Energy: 0.012794219851681821 Energy: 0.17837542710509022 Energy: 0.46696137973563595 Energy: 0.17910579642353683 Energy: 0.4669614368860685 Energy: 0.17910579642213148 Energy: 0.46696130974205896 Energy: 0.17910579642284408 Energy: 0.012794219851681821 Energy: 0.17837542710473392 Energy: 0.012794219851325539 Energy: 0.1783754271054267 Energy: 0.012794219851325539 Energy: 0.17837542710473392 minimum gb energy = 0.011837676978749849 eV minimum distance = 2.83077592841775 Angstroms sigma value = 1