Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_000 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=4.044650763273239 cohesive_energy=3.3602642529834164 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: 0.010383087673540181 Energy: 0.5018814236046584 Energy: 0.010383087673540181 Energy: 0.5018814236044078 Energy: 0.010383087673540181 Energy: 0.5018814236044078 Energy: 0.5018814236044078 Energy: 0.7158988485519427 Energy: 0.5018814236046584 Energy: 0.7158988485519427 Energy: 0.5018814236044078 Energy: 0.7158988485519427 Energy: 0.010383087673540181 Energy: 0.5018814236046584 Energy: 0.010383087673540181 Energy: 0.5018814236046584 Energy: 0.010383087673540181 Energy: 0.5018814236046584 Energy: 0.5018814236044078 Energy: 0.7158988485519427 Energy: 0.5018814236046584 Energy: 0.6897451336491739 Energy: 0.5018814236046584 Energy: 0.7158988485521655 Energy: 0.010383087673540181 Energy: 0.5018814236044078 Energy: 0.010383087673540181 Energy: 0.5018814236044078 Energy: 0.010383087673540181 Energy: 0.5018814236044078 Energy: 0.5018814236044078 Energy: 0.7158988485519427 Energy: 0.5018814236044078 Energy: 0.7158988485519427 Energy: 0.5018814236044078 Energy: 0.7158988485521655 minimum gb energy = 0.010383087673540181 eV minimum distance = 2.60747464562402 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6474056356412157 Energy: 0.5964329005115268 Energy: 0.6474056356412157 Energy: 0.5964329005121298 Energy: 0.6474056356417913 Energy: 0.5964329005115268 Energy: 0.6802785607045904 Energy: 0.559589105866333 Energy: 0.6802785607039873 Energy: 0.559589105866333 Energy: 0.6802785607039873 Energy: 0.5595891058657301 Energy: 0.6120377410278003 Energy: 0.6155734930780655 Energy: 0.6120377410278003 Energy: 0.6155734929852535 Energy: 0.612037741028979 Energy: 0.6155734926555322 Energy: 0.6484761965315675 Energy: 0.5879946680482909 Energy: 0.6484761965315675 Energy: 0.5879946680464818 Energy: 0.6484761965303615 Energy: 0.5879946680482909 Energy: 0.6181509602436492 Energy: 0.641530742411761 Energy: 0.6181509602436492 Energy: 0.641530742411761 Energy: 0.6181509602430463 Energy: 0.641530742412967 Energy: 0.6607699763180391 Energy: 0.5845048112597862 Energy: 0.6607699763180391 Energy: 0.5845048112597862 Energy: 0.6607699763186421 Energy: 0.5845048112597862 Energy: 0.5829600987150355 Energy: 0.6486850089359399 Energy: 0.5829600987156385 Energy: 0.6486850089353371 Energy: 0.5829600987144323 Energy: 0.6486850089353371 Energy: 0.5989887792665318 Energy: 0.676100614423645 Energy: 0.5989887792665318 Energy: 0.676100614423645 Energy: 0.5989887792665318 Energy: 0.676100614423645 Energy: 0.6512904916730305 Energy: 0.6412298044328751 Energy: 0.6512904916736335 Energy: 0.6412298044322721 Energy: 0.6512904916736335 Energy: 0.6412298044328751 Energy: 0.5558246556098176 Energy: 0.6611363160166724 Energy: 0.5558246556098176 Energy: 0.6611354820686159 Energy: 0.5558246556098176 Energy: 0.6611329301371268 Energy: 0.6450999819393685 Energy: 0.5806860307948599 Energy: 0.6450999819381624 Energy: 0.5806860307948599 Energy: 0.6450999819387654 Energy: 0.5806860307948599 Energy: 0.5383871484453953 Energy: 0.663560970573966 Energy: 0.5383871484453953 Energy: 0.663560970575172 Energy: 0.5383871484459982 Energy: 0.6635609705745689 Energy: 0.6547189011912823 Energy: 0.5341130300973834 Energy: 0.6547189011912823 Energy: 0.5341130300973834 Energy: 0.6547189011912823 Energy: 0.5341130300967805 Energy: 0.587092480043849 Energy: 0.5963969715070003 Energy: 0.587092480043849 Energy: 0.5963969715076033 Energy: 0.587092480043849 Energy: 0.5963969715070003 Energy: 0.6910424098408328 Energy: 0.5619275626007845 Energy: 0.6910424098408328 Energy: 0.5619275626013874 Energy: 0.6910424098408328 Energy: 0.5619275626007845 Energy: 0.6930656428467586 Energy: 0.6376195806238077 Energy: 0.6930656428467586 Energy: 0.6376195806238077 Energy: 0.6930656428467586 Energy: 0.6376195806232048 Energy: 0.6432305913549524 Energy: 0.6176508960337118 Energy: 0.6432305913549524 Energy: 0.6176508960343148 Energy: 0.6432305913549524 Energy: 0.6176508960331086 Energy: 0.6461691755247372 Energy: 0.600751033197768 Energy: 0.6461691755247372 Energy: 0.6007510331989742 Energy: 0.6461691755253401 Energy: 0.600751033197768 Energy: 0.6221108203610777 Energy: 0.5980837329555198 Energy: 0.6221108203628867 Energy: 0.5980837329561227 Energy: 0.6221108203634623 Energy: 0.5980837329561227 Energy: 0.625204625618171 Energy: 0.5838347201661442 Energy: 0.6252046256187741 Energy: 0.5838347201661442 Energy: 0.6252046256193771 Energy: 0.5838347201679533 Energy: 0.5631617529588625 Energy: 0.6583544637866824 Energy: 0.5631617529588625 Energy: 0.6583544637927127 Energy: 0.5631617529576565 Energy: 0.6583544637939187 Energy: 0.6456823643019289 Energy: 0.638330562976774 Energy: 0.6456823643019289 Energy: 0.638330562976774 Energy: 0.6456823643019289 Energy: 0.638330562976774 Energy: 0.5599925831534891 Energy: 0.6655357512052568 Energy: 0.5599925831522831 Energy: 0.6655357512052568 Energy: 0.5599925831540922 Energy: 0.6655357512046537 minimum gb energy = 0.5341130300967805 eV minimum distance = 2.55706465622878 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.7033744683195874 Energy: 0.6536555472641072 Energy: 0.6827863970827436 Energy: 0.6536555472644502 Energy: 0.7033744683195874 Energy: 0.6536555472637643 Energy: 0.6430128590506335 Energy: 0.5895476477202666 Energy: 0.6430128590499476 Energy: 0.5895476477192375 Energy: 0.6430128590499476 Energy: 0.5895476477206095 Energy: 0.5659735209878403 Energy: 0.5909344431022676 Energy: 0.5659735209888693 Energy: 0.5909344431029536 Energy: 0.5659735209878403 Energy: 0.5909344431015816 Energy: 0.6585851550577452 Energy: 0.6777634542181331 Energy: 0.6585851550577452 Energy: 0.6777634542184761 Energy: 0.6585851550577452 Energy: 0.6777634542191621 Energy: 0.6169194781722417 Energy: 0.6238584308285156 Energy: 0.6169194781725846 Energy: 0.6238584308285156 Energy: 0.6169194781722417 Energy: 0.6238584308274865 Energy: 0.5867157677695587 Energy: 0.5704754427644836 Energy: 0.5867157677681867 Energy: 0.5704754427545364 Energy: 0.5867157677685299 Energy: 0.5704754427672276 Energy: 0.6549657362082804 Energy: 0.6455718074309433 Energy: 0.6549657362106814 Energy: 0.6455718074309433 Energy: 0.6549657362082804 Energy: 0.6455718074319722 Energy: 0.5384102936117217 Energy: 0.693411759844501 Energy: 0.5384102936134366 Energy: 0.6934117598441579 Energy: 0.5384102936113787 Energy: 0.6934117598441579 Energy: 0.5521835865523894 Energy: 0.567040796946088 Energy: 0.5521835865513605 Energy: 0.567040796946088 Energy: 0.5521835865496455 Energy: 0.567040796946088 Energy: 0.564972141103255 Energy: 0.6719902698422211 Energy: 0.564970325570486 Energy: 0.671990269842564 Energy: 0.564972141103255 Energy: 0.67199026983982 Energy: 0.6898486004555132 Energy: 0.5631894016185856 Energy: 0.6898486004544842 Energy: 0.5631894016185856 Energy: 0.6898486004561992 Energy: 0.5631894016189286 Energy: 0.5662695754841454 Energy: 0.6026779587997106 Energy: 0.56627000917466 Energy: 0.6026779587993677 Energy: 0.5662695754841454 Energy: 0.6026779588003965 Energy: 0.6791888854470696 Energy: 0.5495226197146302 Energy: 0.6791913914111894 Energy: 0.5495226197142873 Energy: 0.6791888854467265 Energy: 0.5495226197153164 Energy: 0.6817551095527584 Energy: 0.6230624700517879 Energy: 0.6817507443044297 Energy: 0.6232103584302529 Energy: 0.6817551095524155 Energy: 0.6230441923984099 Energy: 0.6382922058715104 Energy: 0.5907233835128385 Energy: 0.6382922058721965 Energy: 0.5907233835128385 Energy: 0.6382922058721965 Energy: 0.5907233835131814 Energy: 0.5658774277850358 Energy: 0.5934763618371647 Energy: 0.5658774277860649 Energy: 0.5934763618371647 Energy: 0.5658774277843499 Energy: 0.5934763618375076 Energy: 0.6843285341931706 Energy: 0.6470140936419431 Energy: 0.6843285341952287 Energy: 0.6470140936419431 Energy: 0.6843285341928276 Energy: 0.6470140936433151 Energy: 0.6165718880188699 Energy: 0.5701689606351937 Energy: 0.616571888019213 Energy: 0.5701689606348508 Energy: 0.616571888019556 Energy: 0.5701689606351937 Energy: 0.5828258861253199 Energy: 0.5833139797668372 Energy: 0.5828258861253199 Energy: 0.5833139797658081 Energy: 0.5828258861256629 Energy: 0.5833139797668372 Energy: 0.6533621957985912 Energy: 0.6411978128013792 Energy: 0.6533621957972192 Energy: 0.6411978128013792 Energy: 0.6533621957982483 Energy: 0.6411978128027512 Energy: 0.537352565129062 Energy: 0.6852076839996446 Energy: 0.537352565129748 Energy: 0.6852076840003305 Energy: 0.537352565129062 Energy: 0.6852076840003305 Energy: 0.5903215388208827 Energy: 0.568143045389541 Energy: 0.5903215388222545 Energy: 0.568143045389541 Energy: 0.5903215388215686 Energy: 0.568143045389198 Energy: 0.5657415105110408 Energy: 0.6725070566998503 Energy: 0.5657371049963626 Energy: 0.6725070566995073 Energy: 0.5657415105113838 Energy: 0.6725070566984783 Energy: 0.6922598571863877 Energy: 0.6154937384510927 Energy: 0.6922598571863877 Energy: 0.6154937384507497 Energy: 0.6922598571850159 Energy: 0.6154937384504067 Energy: 0.5663476866933512 Energy: 0.5843680907832205 Energy: 0.5663104907500724 Energy: 0.5843680906817542 Energy: 0.5663476866930083 Energy: 0.5843680903207287 Energy: 0.690685975413625 Energy: 0.6558029627654504 Energy: 0.6740149850924033 Energy: 0.6558029627651074 Energy: 0.690685975413282 Energy: 0.6558029627657934 Energy: 0.6902237971578283 Energy: 0.6512948501849019 Energy: 0.6738890298194133 Energy: 0.6512948501849019 Energy: 0.6902237971581713 Energy: 0.6512948501852448 Energy: 0.5670027691053678 Energy: 0.5902197569875903 Energy: 0.5670027691043389 Energy: 0.5902197569869043 Energy: 0.5670027691053678 Energy: 0.5902197569882763 Energy: 0.6721051755533296 Energy: 0.5894506434007403 Energy: 0.6721051755550447 Energy: 0.5894506434007403 Energy: 0.6721051755526437 Energy: 0.5894506434017692 Energy: 0.5638967713284034 Energy: 0.7082223834131026 Energy: 0.5638967713280605 Energy: 0.7082223834127597 Energy: 0.5638967713284034 Energy: 0.7082223834144745 Energy: 0.6283826585604297 Energy: 0.5672091365678359 Energy: 0.6283826585583717 Energy: 0.5672091365678359 Energy: 0.6283826585604297 Energy: 0.567209136568865 Energy: 0.5479896308708924 Energy: 0.6458040545508588 Energy: 0.5479896308698633 Energy: 0.6458040545501729 Energy: 0.5479896308712354 Energy: 0.6458040545498298 Energy: 0.6543172314820955 Energy: 0.641189393181268 Energy: 0.6543172314814096 Energy: 0.641189393180925 Energy: 0.6543172314820955 Energy: 0.641189393180925 Energy: 0.589960889686041 Energy: 0.634984197942554 Energy: 0.5899608896870701 Energy: 0.6349841979432399 Energy: 0.589960889685698 Energy: 0.634984197944955 Energy: 0.5924006036451396 Energy: 0.5705139209335435 Energy: 0.5924006036441106 Energy: 0.5705139209342295 Energy: 0.5924006036447967 Energy: 0.5705139209325145 Energy: 0.6794292460678983 Energy: 0.6601849300156544 Energy: 0.6794292460678983 Energy: 0.6601849300159973 Energy: 0.6794292460678983 Energy: 0.6601849300159973 Energy: 0.5664716288353746 Energy: 0.6192915090800062 Energy: 0.5664553838715156 Energy: 0.6192915090800062 Energy: 0.5664716288343457 Energy: 0.6192915090827502 Energy: 0.6016869840706706 Energy: 0.5838996246983339 Energy: 0.6010410914806639 Energy: 0.5838996246983339 Energy: 0.6016869846202538 Energy: 0.5838996246976478 Energy: 0.6818645102185612 Energy: 0.6631911938436602 Energy: 0.681860690847475 Energy: 0.6631911938443462 Energy: 0.6818645102185612 Energy: 0.6631911938433173 Energy: 0.6861539050432571 Energy: 0.5450057497920375 Energy: 0.686153905044286 Energy: 0.5450057497920375 Energy: 0.686153905042571 Energy: 0.5450057497937525 Energy: 0.5661799998230608 Energy: 0.550263714034742 Energy: 0.5661799998227176 Energy: 0.5502637140337129 Energy: 0.5661799998230608 Energy: 0.5502637140326839 minimum gb energy = 0.537352565129062 eV minimum distance = 2.6517749125068 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6216105332955325 Energy: 0.6239588947409382 Energy: 0.6216105332947378 Energy: 0.6239588947409382 Energy: 0.6216105332947378 Energy: 0.6239588947409382 Energy: 0.6430367021283299 Energy: 0.5934290526479493 Energy: 0.6430367021275352 Energy: 0.5934290526479493 Energy: 0.6430367021283299 Energy: 0.5934290526479493 Energy: 0.6025777702873161 Energy: 0.621927178072044 Energy: 0.6025777702881108 Energy: 0.621927178072044 Energy: 0.6025777702873161 Energy: 0.621927178072044 Energy: 0.6203072779683989 Energy: 0.5602506582545114 Energy: 0.6203072779683989 Energy: 0.5602506582545114 Energy: 0.6203072779683989 Energy: 0.5602506582553062 Energy: 0.6382322320587793 Energy: 0.6194832734893362 Energy: 0.6382322320587793 Energy: 0.6194832734885414 Energy: 0.6382322320587793 Energy: 0.6194832734893362 Energy: 0.6370484007024813 Energy: 0.6250036553720149 Energy: 0.6370484007024813 Energy: 0.6250036553728097 Energy: 0.6370484007016866 Energy: 0.6250036553759886 Energy: 0.6190055895426411 Energy: 0.6045329711880632 Energy: 0.6190055895426411 Energy: 0.6045329711872683 Energy: 0.6190055895418464 Energy: 0.6045329711880632 Energy: 0.5781556221799976 Energy: 0.618500869049425 Energy: 0.5781556221799976 Energy: 0.6185008690438618 Energy: 0.5781556221799976 Energy: 0.618500869046246 Energy: 0.7020882663756768 Energy: 0.5603547858158472 Energy: 0.7020882663748821 Energy: 0.5603547858158472 Energy: 0.7020882663764717 Energy: 0.5603547858158472 Energy: 0.5658012533680863 Energy: 0.7017272994829523 Energy: 0.5658012533680863 Energy: 0.7017272994829523 Energy: 0.5658012533680863 Energy: 0.7017272994829523 Energy: 0.6767240235276664 Energy: 0.551081199997989 Energy: 0.6767240235276664 Energy: 0.551081199997989 Energy: 0.6767240235268717 Energy: 0.5510811999971942 Energy: 0.6234037375217321 Energy: 0.6245496039027773 Energy: 0.6234037375217321 Energy: 0.6245496039027773 Energy: 0.6234037375217321 Energy: 0.624549603903572 Energy: 0.651050580173315 Energy: 0.5927255224471532 Energy: 0.6510505801741098 Energy: 0.5927255224471532 Energy: 0.651050580173315 Energy: 0.5927255224471532 Energy: 0.6131468923793492 Energy: 0.5808346906044085 Energy: 0.6131468923785545 Energy: 0.5808346906052033 Energy: 0.6131468923785545 Energy: 0.5808346906052033 Energy: 0.6292442423786376 Energy: 0.6180353967789337 Energy: 0.6292442423778428 Energy: 0.6180353967789337 Energy: 0.6292442423786376 Energy: 0.6180353967789337 Energy: 0.6387851801858782 Energy: 0.6206027330112832 Energy: 0.6387851801858782 Energy: 0.6206027330120779 Energy: 0.6387851801858782 Energy: 0.6206027330112832 Energy: 0.6385085291935766 Energy: 0.6711276863556306 Energy: 0.6385085291935766 Energy: 0.6711276863556306 Energy: 0.6385085291935766 Energy: 0.6711276863556306 Energy: 0.6200532900984649 Energy: 0.6064746207147927 Energy: 0.6200532900984649 Energy: 0.6064746207155874 Energy: 0.6200532900992596 Energy: 0.6064746207147927 minimum gb energy = 0.5510811999971942 eV minimum distance = 2.55723471664913 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5166782943088274 Energy: 0.5308335787023379 Energy: 0.5166782943092988 Energy: 0.5308335787028094 Energy: 0.5166782943088274 Energy: 0.5308335787028094 Energy: 0.6265520732205794 Energy: 0.6317350796024466 Energy: 0.6265520732196366 Energy: 0.6317350796019752 Energy: 0.6265520732205794 Energy: 0.6317350796010323 Energy: 0.5096942743874429 Energy: 0.6309063845364155 Energy: 0.5096942743879144 Energy: 0.6309063845364155 Energy: 0.5096942743888571 Energy: 0.6309063845364155 Energy: 0.5376975275858221 Energy: 0.5096236662286563 Energy: 0.5376975275853721 Energy: 0.5096236662286563 Energy: 0.5376975275853721 Energy: 0.5096236662286563 Energy: 0.509682451421678 Energy: 0.5174770669425699 Energy: 0.5096824514221494 Energy: 0.517477066936913 Energy: 0.5096824514212066 Energy: 0.5174770669392701 Energy: 0.5097471407248554 Energy: 0.5168245918323605 Energy: 0.5097471407253268 Energy: 0.5168245918304749 Energy: 0.5097471407248554 Energy: 0.5168245918318892 Energy: 0.5376222870266584 Energy: 0.5096224926089324 Energy: 0.5376222870276011 Energy: 0.5096224926089324 Energy: 0.5376222870271298 Energy: 0.5096224926089324 Energy: 0.5097071054694158 Energy: 0.6309200457768794 Energy: 0.5097071054689443 Energy: 0.6309200457773508 Energy: 0.5097071054684729 Energy: 0.6309200457764079 Energy: 0.6265292078574867 Energy: 0.631670229795523 Energy: 0.6265292078560725 Energy: 0.631670229795523 Energy: 0.6265292078574867 Energy: 0.631670229795523 Energy: 0.5166782943088274 Energy: 0.5308335787023379 Energy: 0.5166782943092988 Energy: 0.5308335787028094 Energy: 0.5166782943088274 Energy: 0.5308335787023379 Energy: 0.6265520732210508 Energy: 0.6317350796024466 Energy: 0.6265520732205794 Energy: 0.6317350796019752 Energy: 0.626552073220108 Energy: 0.6317350796010323 Energy: 0.5096942743893286 Energy: 0.6309063845359439 Energy: 0.5096942743888571 Energy: 0.6309063845359439 Energy: 0.5096942743883858 Energy: 0.6309063845359439 Energy: 0.5376975275858221 Energy: 0.5096236662281848 Energy: 0.5376975275858221 Energy: 0.5096236662286563 Energy: 0.5376975275858221 Energy: 0.5096236662286563 Energy: 0.5096824514221494 Energy: 0.5174770670655656 Energy: 0.5096824514221494 Energy: 0.517477067084872 Energy: 0.5096824514207352 Energy: 0.5174770670844006 Energy: 0.5097471407262697 Energy: 0.5168245918323605 Energy: 0.5097471407257982 Energy: 0.5168245918333034 Energy: 0.5097471407253268 Energy: 0.5168245918314178 Energy: 0.5376222870271298 Energy: 0.5096224926089324 Energy: 0.5376222870276011 Energy: 0.5096224926089324 Energy: 0.5376222870271298 Energy: 0.5096224926089324 Energy: 0.5097071054684729 Energy: 0.6309200457773508 Energy: 0.5097071054698872 Energy: 0.6309200457759365 Energy: 0.5097071054698872 Energy: 0.6309200457759365 Energy: 0.6265292078570154 Energy: 0.6316702297950515 Energy: 0.626529207856544 Energy: 0.6316702297950515 Energy: 0.626529207856544 Energy: 0.631670229795523 Energy: 0.5166782943088274 Energy: 0.5308335787028094 Energy: 0.5166782943088274 Energy: 0.5308335787028094 Energy: 0.5166782943088274 Energy: 0.5308335787023379 Energy: 0.6265520732210508 Energy: 0.6317350796024466 Energy: 0.6265520732205794 Energy: 0.6317350796015038 Energy: 0.626552073220108 Energy: 0.6317350796010323 Energy: 0.5096942743879144 Energy: 0.6309063845373581 Energy: 0.5096942743879144 Energy: 0.6309063845373581 Energy: 0.5096942743879144 Energy: 0.6309063845368869 Energy: 0.5376975275858221 Energy: 0.5096236662286563 Energy: 0.5376975275858221 Energy: 0.5096236662286563 Energy: 0.5376975275858221 Energy: 0.5096236662286563 Energy: 0.5096824514221494 Energy: 0.5174770671206992 Energy: 0.5096824514221494 Energy: 0.5174770671221135 Energy: 0.509682451421678 Energy: 0.5174770671221135 Energy: 0.5097471407253268 Energy: 0.5168245918323605 Energy: 0.5097471407248554 Energy: 0.5168245918318892 Energy: 0.5097471407253268 Energy: 0.5168245918309463 Energy: 0.5376222870271298 Energy: 0.5096224926089324 Energy: 0.5376222870271298 Energy: 0.5096224926089324 Energy: 0.5376222870271298 Energy: 0.5096224926089324 Energy: 0.5097071054698872 Energy: 0.6309200457764079 Energy: 0.5097071054694158 Energy: 0.6309200457764079 Energy: 0.5097071054694158 Energy: 0.6309200457768794 Energy: 0.626529207856544 Energy: 0.6316702297950515 Energy: 0.6265292078570154 Energy: 0.6316702297950515 Energy: 0.6265292078560725 Energy: 0.6316702297950515 Energy: 0.516678294308356 Energy: 0.5308335787023379 Energy: 0.5166782943088274 Energy: 0.5308335787028094 Energy: 0.516678294308356 Energy: 0.5308335787023379 Energy: 0.626552073220108 Energy: 0.6317350796024466 Energy: 0.6265520732205794 Energy: 0.6317350796019752 Energy: 0.626552073220108 Energy: 0.6317350796010323 Energy: 0.5096942743879144 Energy: 0.6309063845364155 Energy: 0.5096942743893286 Energy: 0.6309063845368869 Energy: 0.5096942743883858 Energy: 0.6309063845364155 minimum gb energy = 0.5096224926089324 eV minimum distance = 2.56403367324502 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.528032727426566 Energy: 0.5112648269013016 Energy: 0.5280327274277208 Energy: 0.5112648269013016 Energy: 0.5280327274277208 Energy: 0.5112648269013016 Energy: 0.5343559272647503 Energy: 0.5225947444996151 Energy: 0.5343559273386259 Energy: 0.5225947444996151 Energy: 0.5343559266853445 Energy: 0.5225947444996151 Energy: 0.5334899291021394 Energy: 0.5763457706388595 Energy: 0.5334899291009848 Energy: 0.5763457706411427 Energy: 0.5334899291009848 Energy: 0.5763457706434519 Energy: 0.6337056660434528 Energy: 0.5056924235463032 Energy: 0.6337056660411432 Energy: 0.5056924235451485 Energy: 0.6337056660446074 Energy: 0.5056924235463032 Energy: 0.638516754800498 Energy: 0.5037563016645835 Energy: 0.638516754800498 Energy: 0.5037563016645835 Energy: 0.638516754800498 Energy: 0.5037563016645835 Energy: 0.6061213170563523 Energy: 0.6232104076426452 Energy: 0.6061213170551975 Energy: 0.6232104076414905 Energy: 0.6061213170563523 Energy: 0.6232104076414905 Energy: 0.5742413900679052 Energy: 0.5245710651635233 Energy: 0.5742413900679052 Energy: 0.5245710651635233 Energy: 0.5742413900667505 Energy: 0.5245710651635233 Energy: 0.5303204572787271 Energy: 0.5130498177330854 Energy: 0.5303204572787271 Energy: 0.5130498177342402 Energy: 0.5303204572787271 Energy: 0.5130498177330854 Energy: 0.6414187969382543 Energy: 0.5303399898691761 Energy: 0.6414187969382543 Energy: 0.5303399898714856 Energy: 0.6414187969394091 Energy: 0.5303399898714856 Energy: 0.5587433872351196 Energy: 0.6346315478086648 Energy: 0.5587433872351196 Energy: 0.6346315478086648 Energy: 0.5587433872351196 Energy: 0.6346315478086648 Energy: 0.6600026826717001 Energy: 0.5032215594028875 Energy: 0.5111772389921491 Energy: 0.5032215594028875 Energy: 0.5111772389921491 Energy: 0.5032215594028875 Energy: 0.6163728368006046 Energy: 0.5793150955155252 Energy: 0.6163728368006046 Energy: 0.5793150955085969 Energy: 0.6163728368006046 Energy: 0.5793150954924308 minimum gb energy = 0.5032215594028875 eV minimum distance = 2.54989854952616 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5434995008446962 Energy: 0.5121343805360563 Energy: 0.5434995008446962 Energy: 0.5121343805363808 Energy: 0.5434995008443718 Energy: 0.5121343805367052 Energy: 0.5269612313345287 Energy: 0.5115562115801289 Energy: 0.526961231335502 Energy: 0.5254404367091257 Energy: 0.5269612313345287 Energy: 0.5115562115914847 Energy: 0.48149152917962207 Energy: 0.6314759170766379 Energy: 0.48149152917962207 Energy: 0.6314759170779357 Energy: 0.481491529180271 Energy: 0.6314759170766379 Energy: 0.4783572004809715 Energy: 0.47514059853627605 Energy: 0.4783572004803227 Energy: 0.47514059853627605 Energy: 0.4783572004809715 Energy: 0.4751405985366005 Energy: 0.5224016283365924 Energy: 0.5001535318942416 Energy: 0.522401628336268 Energy: 0.5001535318935928 Energy: 0.5224016283365924 Energy: 0.500153531894566 Energy: 0.5357721104065213 Energy: 0.5228105414657184 Energy: 0.5357721102712857 Energy: 0.5583328021860879 Energy: 0.5357720974405297 Energy: 0.5427614968752527 Energy: 0.5027321321192426 Energy: 0.5374086148909566 Energy: 0.5027321321198915 Energy: 0.5374086148903077 Energy: 0.5027321321205405 Energy: 0.537408614891281 Energy: 0.46204770425018643 Energy: 0.5400481417928427 Energy: 0.46204770425051095 Energy: 0.5400481417928427 Energy: 0.46204770425083536 Energy: 0.5400481417928427 Energy: 0.5977509401633861 Energy: 0.5006215175698837 Energy: 0.5977509401640351 Energy: 0.5006215175689104 Energy: 0.5977509401646839 Energy: 0.5006215175637192 Energy: 0.5220702788004872 Energy: 0.6279134720637118 Energy: 0.5220702788027584 Energy: 0.6279134720611163 Energy: 0.5220702788021093 Energy: 0.6279134720572523 Energy: 0.4796960121890144 Energy: 0.4728197455893112 Energy: 0.4796960121890144 Energy: 0.4728197455889868 Energy: 0.4796960121890144 Energy: 0.4728197455893112 Energy: 0.49870220372519464 Energy: 0.5479217049846183 Energy: 0.4987022037248701 Energy: 0.5479217049855918 Energy: 0.49870220372519464 Energy: 0.5479217049862406 Energy: 0.5162741019726989 Energy: 0.5379700221531801 Energy: 0.5162741019733478 Energy: 0.5379700221525313 Energy: 0.5162741019717255 Energy: 0.5379700221531801 Energy: 0.5526532741435867 Energy: 0.641099791437026 Energy: 0.5526532741435867 Energy: 0.6410997914373504 Energy: 0.5526532741429377 Energy: 0.641099791437026 Energy: 0.4737471862751551 Energy: 0.5219582645825341 Energy: 0.4737471862751551 Energy: 0.5219582645828585 Energy: 0.47374718627483065 Energy: 0.5219582645825341 Energy: 0.49738452180074616 Energy: 0.5198371176061154 Energy: 0.4973845218013951 Energy: 0.5198371176041687 Energy: 0.49738452180755954 Energy: 0.5198371176064398 Energy: 0.6150932834906219 Energy: 0.4731193726272195 Energy: 0.6150932834906219 Energy: 0.47311937262657056 Energy: 0.6150932834906219 Energy: 0.4731193726272195 Energy: 0.47872141483339176 Energy: 0.4983983272381241 Energy: 0.47872141483306735 Energy: 0.4983983272377997 Energy: 0.47872141483306735 Energy: 0.4983983272377997 Energy: 0.4646931540314938 Energy: 0.6127238921035416 Energy: 0.4646931540318182 Energy: 0.6127238921028927 Energy: 0.4646931540314938 Energy: 0.6127238921035416 Energy: 0.6126891656271055 Energy: 0.575869836810167 Energy: 0.6126891656254831 Energy: 0.5758698368098426 Energy: 0.6126891656258077 Energy: 0.5625126553324419 Energy: 0.46473158761909045 Energy: 0.6098327901862197 Energy: 0.4647315876197394 Energy: 0.6098327901858953 Energy: 0.4647315876194149 Energy: 0.6098327901865441 Energy: 0.47876634911057264 Energy: 0.4983971936882641 Energy: 0.47876634911057264 Energy: 0.4983971936882641 Energy: 0.47876634911057264 Energy: 0.4983971936885885 Energy: 0.6151043794843842 Energy: 0.47312683971605 Energy: 0.6151043794843842 Energy: 0.47312683971669894 Energy: 0.6151043794843842 Energy: 0.4731268397173478 Energy: 0.5035605007271379 Energy: 0.5353655083264754 Energy: 0.5035605007274624 Energy: 0.5353655083145004 Energy: 0.5035605007271379 Energy: 0.5353655082849756 Energy: 0.47372413034787353 Energy: 0.5221505578810001 Energy: 0.47372413034787353 Energy: 0.5221505578806755 Energy: 0.4737241303475491 Energy: 0.5221505578800267 Energy: 0.552614461403851 Energy: 0.5506564072072753 Energy: 0.5526144614019043 Energy: 0.5506564072079241 Energy: 0.5526144614022288 Energy: 0.5506564072075997 Energy: 0.5162894933734327 Energy: 0.5377913587022758 Energy: 0.5162894933701881 Energy: 0.5377913587016269 Energy: 0.5162894933705126 Energy: 0.5377913587016269 Energy: 0.49876813678729426 Energy: 0.5091645894711002 Energy: 0.49876813678729426 Energy: 0.5091645894720735 Energy: 0.49876813678761867 Energy: 0.5091645894714246 Energy: 0.47970370836463816 Energy: 0.47281166649344253 Energy: 0.47970370836431375 Energy: 0.47281166649344253 Energy: 0.4797037083639893 Energy: 0.47281166649344253 Energy: 0.5225382298673825 Energy: 0.5393657443854479 Energy: 0.5225382298686803 Energy: 0.5393657445073812 Energy: 0.5225382298677069 Energy: 0.5393657443591677 Energy: 0.5965727562338181 Energy: 0.5283553193072545 Energy: 0.5965727562331692 Energy: 0.5283553193072545 Energy: 0.5965727562315469 Energy: 0.5283553193075791 Energy: 0.4620510259130941 Energy: 0.5334804647228573 Energy: 0.46205102591276964 Energy: 0.5334804647228573 Energy: 0.4620510259130941 Energy: 0.5334804647225327 Energy: 0.5026830333117148 Energy: 0.5377505962586414 Energy: 0.5026830333133371 Energy: 0.5377505962573437 Energy: 0.5026830333133371 Energy: 0.5377505962576681 Energy: 0.5391102552386012 Energy: 0.5430870578834842 Energy: 0.539110254239096 Energy: 0.5430870578831598 Energy: 0.5391102575119768 Energy: 0.5430870578834842 Energy: 0.5223161757857012 Energy: 0.49946310729620846 Energy: 0.5223161757853768 Energy: 0.49946310729653287 Energy: 0.5223161757853768 Energy: 0.499463107295884 Energy: 0.47835698543783767 Energy: 0.47520868846896863 Energy: 0.47835698543783767 Energy: 0.47520868846702197 Energy: 0.47835698543751326 Energy: 0.47520868846896863 Energy: 0.48141057170267004 Energy: 0.6310889839887563 Energy: 0.4814105717020212 Energy: 0.6310889839877831 Energy: 0.4814105717023456 Energy: 0.6310889839871342 Energy: 0.527419521858606 Energy: 0.5190609037361148 Energy: 0.5274195218579572 Energy: 0.5190609037361148 Energy: 0.5274195218576326 Energy: 0.5190609037364393 Energy: 0.5434995008446962 Energy: 0.5121343805367052 Energy: 0.5434995008443718 Energy: 0.5121343805367052 Energy: 0.5434995008446962 Energy: 0.5121343805360563 Energy: 0.5269612313296618 Energy: 0.5115562115739645 Energy: 0.5269612313309597 Energy: 0.5115562115879158 Energy: 0.5269612313299863 Energy: 0.5115562115840223 Energy: 0.4814915291805954 Energy: 0.6314759165285573 Energy: 0.48149152917897325 Energy: 0.6314759165386152 Energy: 0.48149152917897325 Energy: 0.6314759165606482 Energy: 0.4783572004809715 Energy: 0.4751405985372494 Energy: 0.4783572004809715 Energy: 0.47514059853757384 Energy: 0.4783572004806471 Energy: 0.4751405985359516 Energy: 0.5224016283356192 Energy: 0.5001535318942416 Energy: 0.522401628336268 Energy: 0.5001535318948905 Energy: 0.5224016283359436 Energy: 0.5001535318939172 minimum gb energy = 0.46204770425018643 eV minimum distance = 2.63492618868689 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.3279065606973105 Energy: 0.31921601405807415 Energy: 0.28256968798823867 Energy: 0.31921601405733563 Energy: 0.3279065606973105 Energy: 0.31921601405807415 Energy: 0.37854922614880016 Energy: 0.3147612688376252 Energy: 0.37854922614880016 Energy: 0.3147612688376252 Energy: 0.37854922614880016 Energy: 0.3147612688391023 Energy: 0.33596450899868935 Energy: 0.46615565964548356 Energy: 0.3359645089994279 Energy: 0.4661556596174182 Energy: 0.3359645089994279 Energy: 0.4661556596107712 Energy: 0.32095761020147584 Energy: 0.2826804801451438 Energy: 0.3209576102007373 Energy: 0.2826804801451438 Energy: 0.3209576102007373 Energy: 0.2826804801451438 Energy: 0.34098901559367933 Energy: 0.3752952046761311 Energy: 0.34098901559294076 Energy: 0.3752952046761311 Energy: 0.34098901559367933 Energy: 0.3752952046761311 Energy: 0.2828104888434864 Energy: 0.3401662738840007 Energy: 0.28281048884274784 Energy: 0.3401662738832622 Energy: 0.2828104888434864 Energy: 0.3401662738840007 Energy: 0.28279819326847966 Energy: 0.306692783508251 Energy: 0.28279819326847966 Energy: 0.3066927835097282 Energy: 0.28279819326847966 Energy: 0.30669278350898965 Energy: 0.3760073887293542 Energy: 0.34032784659981496 Energy: 0.3760073887293542 Energy: 0.34032784659981496 Energy: 0.3760073887286156 Energy: 0.34032784659981496 Energy: 0.3208326141034438 Energy: 0.2826865570524243 Energy: 0.3208326141034438 Energy: 0.2826865570524243 Energy: 0.3208326141034438 Energy: 0.28268655705316287 Energy: 0.30271857596298346 Energy: 0.3727490127746222 Energy: 0.30271857596224494 Energy: 0.3727490127746222 Energy: 0.30271857596224494 Energy: 0.37274901277609934 Energy: 0.3419725357455447 Energy: 0.3148111305245138 Energy: 0.3419725357455447 Energy: 0.3148111305245138 Energy: 0.3419725357455447 Energy: 0.3148111305245138 Energy: 0.3279065606973105 Energy: 0.3192160140588127 Energy: 0.2825696879897157 Energy: 0.3192160140588127 Energy: 0.3279065606973105 Energy: 0.3192160140595513 Energy: 0.37854922614880016 Energy: 0.31476126883836375 Energy: 0.37854922614880016 Energy: 0.31476126883836375 Energy: 0.37854922614880016 Energy: 0.31476126883836375 Energy: 0.3359645089994279 Energy: 0.4661556597709716 Energy: 0.3359645089994279 Energy: 0.46615565974807627 Energy: 0.3359645089994279 Energy: 0.46615565972521444 Energy: 0.32095761020147584 Energy: 0.2826804801451438 Energy: 0.3209576102007373 Energy: 0.2826804801451438 Energy: 0.3209576102007373 Energy: 0.2826804801458824 Energy: 0.3409890155944179 Energy: 0.3752952046761311 Energy: 0.34098901559367933 Energy: 0.3752952046761311 Energy: 0.3409890155944179 Energy: 0.3752952046761311 Energy: 0.2828104888434864 Energy: 0.34016627388473936 Energy: 0.28281048884274784 Energy: 0.34016627388473936 Energy: 0.2828104888434864 Energy: 0.3401662738840007 Energy: 0.28279819326847966 Energy: 0.30669278350898965 Energy: 0.28279819326847966 Energy: 0.30669278350898965 Energy: 0.28279819326921823 Energy: 0.30669278351046675 Energy: 0.3760073887293542 Energy: 0.34032784659981496 Energy: 0.3760073887286156 Energy: 0.34032784659981496 Energy: 0.3760073887293542 Energy: 0.3403278466005535 minimum gb energy = 0.28256968798823867 eV minimum distance = 2.74662625498031 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.4956481787273514 Energy: 0.49560327772661056 Energy: 0.4956481787268104 Energy: 0.49560327772661056 Energy: 0.4956481787327615 Energy: 0.49560327772715157 Energy: 0.5657516093403347 Energy: 0.47982978287516237 Energy: 0.5657516092354281 Energy: 0.47982978287516237 Energy: 0.5657516093435808 Energy: 0.47982978287516237 Energy: 0.5024876925261137 Energy: 0.5961409686885059 Energy: 0.5024876925261137 Energy: 0.5961409686874238 Energy: 0.5024876925255726 Energy: 0.5961409686879648 Energy: 0.5674013342298729 Energy: 0.4941743182369586 Energy: 0.5674013341606237 Energy: 0.4941743182369586 Energy: 0.5674013341379505 Energy: 0.4941743182374997 Energy: 0.48623362022239214 Energy: 0.4361809191383025 Energy: 0.48623362022293304 Energy: 0.4361809191383025 Energy: 0.4862336202218511 Energy: 0.4361809191383025 Energy: 0.5074550934070322 Energy: 0.4711961846134432 Energy: 0.5074551050373672 Energy: 0.4711961846129022 Energy: 0.5074551105937845 Energy: 0.4711961846129022 Energy: 0.45309289825904514 Energy: 0.49976284592001174 Energy: 0.45309289825850413 Energy: 0.49976284283384553 Energy: 0.45309289825850413 Energy: 0.49976284500934454 Energy: 0.4854519121607867 Energy: 0.4352208845635799 Energy: 0.4854519121607867 Energy: 0.4352208845635799 Energy: 0.4854519121607867 Energy: 0.4352208845641209 Energy: 0.48657490666088493 Energy: 0.4329673217494499 Energy: 0.48657490666088493 Energy: 0.4329673217494499 Energy: 0.4865749066619669 Energy: 0.4329673217494499 Energy: 0.4357168550682238 Energy: 0.5676353050798598 Energy: 0.43571685506768276 Energy: 0.5676353050809418 Energy: 0.4357168550682238 Energy: 0.5676353050820239 Energy: 0.5702549947166959 Energy: 0.5720655995163819 Energy: 0.5702549947166959 Energy: 0.5720655995163819 Energy: 0.5702549947166959 Energy: 0.5720655995158409 Energy: 0.47890934254237355 Energy: 0.4378432858726491 Energy: 0.47890934254291456 Energy: 0.43784328587319005 Energy: 0.4789093425434556 Energy: 0.4378432858726491 Energy: 0.5015657814295722 Energy: 0.4889172628941787 Energy: 0.5015657814295722 Energy: 0.4889172628936377 Energy: 0.5015657814295722 Energy: 0.4889172628941787 Energy: 0.5103495003771785 Energy: 0.5833436301881336 Energy: 0.5103495003766376 Energy: 0.5833436301870516 Energy: 0.5103495003771785 Energy: 0.5833436301875926 Energy: 0.5517599819764454 Energy: 0.4817690629635469 Energy: 0.5517599819726584 Energy: 0.481769062963006 Energy: 0.5517599819721174 Energy: 0.4817690629635469 Energy: 0.4976525589780083 Energy: 0.49247788257738934 Energy: 0.4976525589780083 Energy: 0.49247788257793035 Energy: 0.4976525589774673 Energy: 0.49247788257738934 Energy: 0.45423244255479417 Energy: 0.4794508533467248 Energy: 0.4542324425542531 Energy: 0.4794508533467248 Energy: 0.4542324425542531 Energy: 0.4794508533467248 Energy: 0.5779037377711593 Energy: 0.5815393031940621 Energy: 0.5779037377711593 Energy: 0.5815393031329772 Energy: 0.5779037377711593 Energy: 0.5815393031351413 Energy: 0.5047944606573281 Energy: 0.473189980005795 Energy: 0.5047944606557051 Energy: 0.473189980005795 Energy: 0.5047944606913626 Energy: 0.473189980004713 Energy: 0.4905663491497007 Energy: 0.4572691421618484 Energy: 0.4905663491497007 Energy: 0.4572691421618484 Energy: 0.4905663491497007 Energy: 0.45726914216076636 Energy: 0.435779216622021 Energy: 0.4781144458684193 Energy: 0.43577921662256197 Energy: 0.4781144458695013 Energy: 0.43577921662310304 Energy: 0.47811444586733726 Energy: 0.47750098677612035 Energy: 0.5673865720956359 Energy: 0.47750098677612035 Energy: 0.5673865766018545 Energy: 0.47750098677774333 Energy: 0.567386572713174 Energy: 0.4867114716255378 Energy: 0.4963365372652265 Energy: 0.4867114716260788 Energy: 0.4963365372825388 Energy: 0.48671147162499684 Energy: 0.49633653729926097 Energy: 0.4886317779565615 Energy: 0.4611763320558826 Energy: 0.4886317779565615 Energy: 0.4611763320553416 Energy: 0.4886317779571025 Energy: 0.4611763320553416 Energy: 0.436388956608923 Energy: 0.5608622497313678 Energy: 0.436388956608923 Energy: 0.5608622497308268 Energy: 0.436388956610005 Energy: 0.5608622497319088 Energy: 0.6570423292566965 Energy: 0.57472290677832 Energy: 0.6570423292572375 Energy: 0.574722906777779 Energy: 0.6570423292572375 Energy: 0.574722906777779 minimum gb energy = 0.4329673217494499 eV minimum distance = 2.62389036215437 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5403344670918231 Energy: 0.4686513566423334 Energy: 0.5403344670918231 Energy: 0.46865135664275975 Energy: 0.5403344670918231 Energy: 0.4686513566423334 Energy: 0.5768064735982537 Energy: 0.5234794538916272 Energy: 0.5768064736020914 Energy: 0.5234794538912007 Energy: 0.5768064735982537 Energy: 0.5234794538916272 Energy: 0.5953604648418835 Energy: 0.5832504020929246 Energy: 0.5953604648418835 Energy: 0.5832504020933509 Energy: 0.5953604648418835 Energy: 0.5832504020942038 Energy: 0.5544881517538991 Energy: 0.4612845256159209 Energy: 0.554488151761148 Energy: 0.46128452561549455 Energy: 0.5544881517538991 Energy: 0.4612845256159209 Energy: 0.4499526055690253 Energy: 0.4832420282225385 Energy: 0.4499526055690253 Energy: 0.4832420282225385 Energy: 0.4499526055690253 Energy: 0.4832420282225385 Energy: 0.5362967881155452 Energy: 0.583722254651115 Energy: 0.5362967881155452 Energy: 0.583722254651115 Energy: 0.5362967881151188 Energy: 0.583722254651115 Energy: 0.4843216450362445 Energy: 0.5921279452225973 Energy: 0.48432164503581804 Energy: 0.5921279452225973 Energy: 0.48432164503539166 Energy: 0.5921279452225973 Energy: 0.4601305003088228 Energy: 0.4612964596429242 Energy: 0.4601305003088228 Energy: 0.4612964596429242 Energy: 0.4601305003088228 Energy: 0.4612964596429242 Energy: 0.45029214269367235 Energy: 0.46171074345767077 Energy: 0.45029214269367235 Energy: 0.4617107434572443 Energy: 0.45029214269367235 Energy: 0.4617107434563915 Energy: 0.5602145887080588 Energy: 0.5389409042087733 Energy: 0.5602145887089116 Energy: 0.5389409042053813 Energy: 0.5602145887076324 Energy: 0.5389409042053813 Energy: 0.5268397388764401 Energy: 0.5379111098665874 Energy: 0.5268397388764401 Energy: 0.537911109866161 Energy: 0.5268397388764401 Energy: 0.5379111098674403 Energy: 0.4510952506892291 Energy: 0.5136094340281431 Energy: 0.4510952506892291 Energy: 0.5236509141952911 Energy: 0.4510952506888027 Energy: 0.49598966498698493 Energy: 0.4617264277785068 Energy: 0.46265658945744104 Energy: 0.4617264277789332 Energy: 0.46265658945744104 Energy: 0.4617264277789332 Energy: 0.4626565894578675 Energy: 0.4486408178539718 Energy: 0.5281819557681335 Energy: 0.4486408178539718 Energy: 0.528181955767707 Energy: 0.4486408178535454 Energy: 0.5281819557689863 Energy: 0.536821740439814 Energy: 0.532002149640805 Energy: 0.536821740439814 Energy: 0.532002149640805 Energy: 0.5368217404334179 Energy: 0.532002149640805 Energy: 0.45150220008332304 Energy: 0.5189116036767767 Energy: 0.45150220008332304 Energy: 0.5189116036767767 Energy: 0.45150220008332304 Energy: 0.5189116036767767 Energy: 0.46056757810271215 Energy: 0.4626867822562895 Energy: 0.46056757810271215 Energy: 0.4626867822562895 Energy: 0.46056757810271215 Energy: 0.4626867822558632 Energy: 0.53719137744618 Energy: 0.584301714416667 Energy: 0.5371913774466064 Energy: 0.5843017144162406 Energy: 0.5371913774466064 Energy: 0.5843017144170934 Energy: 0.5695081377120143 Energy: 0.5227420287443408 Energy: 0.5695081377388781 Energy: 0.5227420287443408 Energy: 0.5695081377009472 Energy: 0.5227420287439144 Energy: 0.544363358833973 Energy: 0.5502660758509473 Energy: 0.544363358833973 Energy: 0.5502660758509473 Energy: 0.544363358833973 Energy: 0.5725785861519085 Energy: 0.4509612931179777 Energy: 0.5479347874992098 Energy: 0.4509612931179777 Energy: 0.5479347874996362 Energy: 0.4509612931179777 Energy: 0.5479347875004891 Energy: 0.6388456889888078 Energy: 0.5745270066048933 Energy: 0.6388456889892341 Energy: 0.5745270066223567 Energy: 0.6388456889883813 Energy: 0.574527006606599 Energy: 0.5201765861747188 Energy: 0.4619595147024972 Energy: 0.5201765861742925 Energy: 0.4619595147024972 Energy: 0.5201765861747188 Energy: 0.4619595147024972 Energy: 0.45134027507798063 Energy: 0.5414758667810191 Energy: 0.45134027507840707 Energy: 0.5414758667814455 Energy: 0.45134027507840707 Energy: 0.541475866781872 Energy: 0.4458142397388618 Energy: 0.5380323810147263 Energy: 0.4458142397388618 Energy: 0.5380323810147263 Energy: 0.4458142397384353 Energy: 0.5380323810147263 Energy: 0.48318846766809004 Energy: 0.4850755919087488 Energy: 0.4831884676685164 Energy: 0.4850755919083224 Energy: 0.48318846766809004 Energy: 0.4850755919087488 Energy: 0.46277844554372644 Energy: 0.4619784731891629 Energy: 0.46277844554372644 Energy: 0.4619784731891629 Energy: 0.46277844554330005 Energy: 0.4619784731891629 Energy: 0.45128234470507295 Energy: 0.5532426468773031 Energy: 0.45128234470507295 Energy: 0.5532426468777294 Energy: 0.45128234470507295 Energy: 0.5532426468777294 Energy: 0.5496406163415053 Energy: 0.5502675533727198 Energy: 0.5496406163449166 Energy: 0.5502675533612068 Energy: 0.5496406163415053 Energy: 0.5502675533667502 Energy: 0.5705011520935828 Energy: 0.44562519877441514 Energy: 0.5705011520944356 Energy: 0.4456251987692983 Energy: 0.5705011520952884 Energy: 0.44562519877441514 Energy: 0.44710778386139316 Energy: 0.49796128169212095 Energy: 0.4471077838618196 Energy: 0.4979612816916946 Energy: 0.44710778386139316 Energy: 0.49796128169212095 Energy: 0.46076449649487494 Energy: 0.46112872124792004 Energy: 0.4607644964953014 Energy: 0.46112872124792004 Energy: 0.46076449649487494 Energy: 0.46112872124792004 Energy: 0.4454301600296706 Energy: 0.5208257915215689 Energy: 0.4454301600296706 Energy: 0.5208257915215689 Energy: 0.44543016003009706 Energy: 0.5208257915215689 minimum gb energy = 0.4454301600296706 eV minimum distance = 2.63625044483808 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.48869820400408426 Energy: 0.47011360870304997 Energy: 0.48869820400378494 Energy: 0.4701136087024514 Energy: 0.48869820400318653 Energy: 0.4701136087027506 Energy: 0.628621433867938 Energy: 0.4631186194495947 Energy: 0.6286214338574642 Energy: 0.4631186194495947 Energy: 0.6286214335810592 Energy: 0.46311861944929544 Energy: 0.6150984344651567 Energy: 0.7085639961456799 Energy: 0.6150984344654559 Energy: 0.7085639949132841 Energy: 0.6150984344657551 Energy: 0.7085639961148564 Energy: 0.5948199681409994 Energy: 0.46976658496010637 Energy: 0.5948199681404008 Energy: 0.469766584959807 Energy: 0.5948199681418972 Energy: 0.46976658496010637 Energy: 0.46537118906729863 Energy: 0.6081268324918687 Energy: 0.46537118906670016 Energy: 0.6081268324924671 Energy: 0.46537118906729863 Energy: 0.6081268324918687 Energy: 0.6105289108474579 Energy: 0.4760094526886558 Energy: 0.6105289108474579 Energy: 0.4760094526886558 Energy: 0.6105289108474579 Energy: 0.4760094526886558 Energy: 0.5122891233616943 Energy: 0.5788047163286429 Energy: 0.512289123361395 Energy: 0.5788047163334311 Energy: 0.5122891233610957 Energy: 0.5788047163340295 Energy: 0.5381336170081806 Energy: 0.6017773714685674 Energy: 0.5381336170019234 Energy: 0.6017773714679687 Energy: 0.5381336170045895 Energy: 0.6017773714709613 Energy: 0.6353193619870559 Energy: 0.47511274543962007 Energy: 0.6353193619867566 Energy: 0.47511274543932086 Energy: 0.6353193619870559 Energy: 0.47511274543932086 Energy: 0.6158179974370488 Energy: 0.4750719049725353 Energy: 0.6158179974187941 Energy: 0.4750719049728347 Energy: 0.6158179974217867 Energy: 0.4750719049725353 Energy: 0.5231608113397288 Energy: 0.5544409735412054 Energy: 0.5231608113397288 Energy: 0.5544409735415047 Energy: 0.5231608113397288 Energy: 0.5544409735397091 Energy: 0.608139284357319 Energy: 0.46946846495562194 Energy: 0.6081392843567205 Energy: 0.46946846495472416 Energy: 0.6081392843567205 Energy: 0.46946846495442496 Energy: 0.47592191931001976 Energy: 0.6162603410665924 Energy: 0.4759219193097205 Energy: 0.6162603410662932 Energy: 0.475921919309122 Energy: 0.6162603410662932 Energy: 0.5876973789144143 Energy: 0.5452653607136474 Energy: 0.587697378884815 Energy: 0.5452653607139466 Energy: 0.5876973789266837 Energy: 0.5452653607133482 Energy: 0.5656648891307946 Energy: 0.512512821847989 Energy: 0.5656648891313931 Energy: 0.5125128218461934 Energy: 0.5656648891307946 Energy: 0.5125128218476898 Energy: 0.4766537655100392 Energy: 0.6058119328541566 Energy: 0.47665376551033845 Energy: 0.6058119328538573 Energy: 0.47665376550944066 Energy: 0.6058119328553263 Energy: 0.6130077072611954 Energy: 0.4659448615052474 Energy: 0.6130077072599983 Energy: 0.4659448615055466 Energy: 0.6130077072599983 Energy: 0.4659448615049481 Energy: 0.45883984929690647 Energy: 0.5211614766313059 Energy: 0.4588398492957095 Energy: 0.5211614766229266 Energy: 0.45883984929690647 Energy: 0.5211614766244229 Energy: 0.6317156684130462 Energy: 0.6122123578133357 Energy: 0.6317156684112507 Energy: 0.6122123578133357 Energy: 0.6317156684106521 Energy: 0.6122123578133357 Energy: 0.6172217306181659 Energy: 0.47829577231817605 Energy: 0.6172217306178667 Energy: 0.47829577231817605 Energy: 0.6172217306181659 Energy: 0.47829577231727827 Energy: 0.4707657481006066 Energy: 0.48921747825541495 Energy: 0.4707657481009059 Energy: 0.48921747825601347 Energy: 0.4707657481012051 Energy: 0.4892174782551157 Energy: 0.4633123028762486 Energy: 0.5744448083924318 Energy: 0.4633123028762486 Energy: 0.5744448088728213 Energy: 0.4633123028762486 Energy: 0.5744448082835565 Energy: 0.5677901376818966 Energy: 0.5494682633914084 Energy: 0.5677901376806995 Energy: 0.5494682633914084 Energy: 0.5677901376818966 Energy: 0.5494682633911091 Energy: 0.46788648053382276 Energy: 0.6177467570705026 Energy: 0.467886480535319 Energy: 0.6177467570705026 Energy: 0.46788648053382276 Energy: 0.6177467570708021 Energy: 0.6375433845958035 Energy: 0.4660607070312423 Energy: 0.6375433845958035 Energy: 0.4660607070312423 Energy: 0.637543384596402 Energy: 0.4660607070303445 Energy: 0.4711031044069862 Energy: 0.587659173605545 Energy: 0.4711031044069862 Energy: 0.5876591736046471 Energy: 0.4711031044069862 Energy: 0.5876591736052458 Energy: 0.5711834284423093 Energy: 0.5110376222586828 Energy: 0.5711834319163327 Energy: 0.5110376222583835 Energy: 0.5711834288012548 Energy: 0.5110376222586828 Energy: 0.4908761788412816 Energy: 0.47268556788907945 Energy: 0.49087617884188006 Energy: 0.4726855678893787 Energy: 0.49087617884337637 Energy: 0.4726855678893787 Energy: 0.47603807890916267 Energy: 0.6156560815141846 Energy: 0.4760380789094619 Energy: 0.6156560815126882 Energy: 0.47603807890916267 Energy: 0.6156560815138853 Energy: 0.4765551478644312 Energy: 0.6197725623866616 Energy: 0.47655514786383263 Energy: 0.6197725622870632 Energy: 0.476555147864132 Energy: 0.619772562409405 Energy: 0.5186105892327056 Energy: 0.4609731691914128 Energy: 0.5186105892321071 Energy: 0.4609731691911134 Energy: 0.5186105892318079 Energy: 0.4609731691911134 Energy: 0.46778953213179536 Energy: 0.6102672250104805 Energy: 0.4677895321323938 Energy: 0.6102672250104805 Energy: 0.46778953213179536 Energy: 0.6102672250116774 Energy: 0.6146354810639802 Energy: 0.475319470736674 Energy: 0.6146354810642796 Energy: 0.47531947073577624 Energy: 0.6146354810639802 Energy: 0.475319470736674 Energy: 0.5217836862032975 Energy: 0.5675898161754699 Energy: 0.5217836862029984 Energy: 0.5675898161757692 Energy: 0.5217836862032975 Energy: 0.5675898161751707 Energy: 0.5221773789946911 Energy: 0.5675410994397254 Energy: 0.5221773789940926 Energy: 0.5675410994394262 Energy: 0.5221773789949904 Energy: 0.5675410994394262 Energy: 0.6147044015738835 Energy: 0.4753232268218541 Energy: 0.6147044015735844 Energy: 0.4753232268221533 Energy: 0.6147044015738835 Energy: 0.47532322682245254 Energy: 0.46791144618434505 Energy: 0.609984372921679 Energy: 0.46791144618494357 Energy: 0.6099843729210804 Energy: 0.46791144618464436 Energy: 0.609984372921679 Energy: 0.5185224268235772 Energy: 0.46081178198726813 Energy: 0.5185224268235772 Energy: 0.46081178198726813 Energy: 0.5185224268226795 Energy: 0.4608117819884651 Energy: 0.47656974069607655 Energy: 0.619555573573797 Energy: 0.47656974069727354 Energy: 0.6195555735989073 Energy: 0.47656974069697433 Energy: 0.6195555735878621 Energy: 0.4758516317022683 Energy: 0.6162120430066284 Energy: 0.475851631701969 Energy: 0.6162120430060297 Energy: 0.4758516317010712 Energy: 0.616212043006329 Energy: 0.49105013049652313 Energy: 0.4727831265025335 Energy: 0.4910501304959246 Energy: 0.4727831265028327 Energy: 0.49105013049652313 Energy: 0.47278312650223425 Energy: 0.5742628592760269 Energy: 0.5109798620689132 Energy: 0.5742628592751292 Energy: 0.5109798620695118 Energy: 0.5742628592775232 Energy: 0.5109798620692125 Energy: 0.47125825334968613 Energy: 0.5881688261794694 Energy: 0.47125825334968613 Energy: 0.5881688261818634 Energy: 0.47125825335088317 Energy: 0.588168826182462 Energy: 0.6349484030553527 Energy: 0.4659911589792707 Energy: 0.6349484030541557 Energy: 0.4659911589786721 Energy: 0.6349484030538564 Energy: 0.4659911589786721 Energy: 0.46790312970731024 Energy: 0.6168314222591749 Energy: 0.467903129708208 Energy: 0.6168314222588757 Energy: 0.4679031297085073 Energy: 0.6168314222591749 Energy: 0.5674970331846535 Energy: 0.5493028750467769 Energy: 0.567497033185252 Energy: 0.5493028750434851 Energy: 0.5674970331855513 Energy: 0.5493028750464776 Energy: 0.46314952315194224 Energy: 0.5714858167325896 Energy: 0.4631495231522415 Energy: 0.5714858167313925 Energy: 0.46314952315194224 Energy: 0.5714858167319911 minimum gb energy = 0.4588398492957095 eV minimum distance = 2.57391333095555 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.4414096952103962 Energy: 0.42835865640011067 Energy: 0.44140969521100987 Energy: 0.4283586563997016 Energy: 0.4414096952100099 Energy: 0.42835865640011067 Energy: 0.4050559167201445 Energy: 0.3919583689473227 Energy: 0.4050559167201445 Energy: 0.3919583689475273 Energy: 0.4050559167203491 Energy: 0.3919583689475273 Energy: 0.6763674249825022 Energy: 0.6311497645802322 Energy: 0.7818416750191379 Energy: 0.6311497645802322 Energy: 0.5004617069568106 Energy: 0.6311497645800277 Energy: 0.40505005086366885 Energy: 0.3919419453920125 Energy: 0.40505005086366885 Energy: 0.3919419453920125 Energy: 0.4050500508634643 Energy: 0.39194194539160343 Energy: 0.44140969521080525 Energy: 0.4283586563991107 Energy: 0.44140969521100987 Energy: 0.4283586563997016 Energy: 0.44140969521119167 Energy: 0.42835865639931525 Energy: 0.40505591672094 Energy: 0.3919583689481182 Energy: 0.40505591672114455 Energy: 0.3919583689481182 Energy: 0.40505591672094 Energy: 0.39195836894832276 Energy: 0.39276622618704227 Energy: 0.6311497645800277 Energy: 0.5000539598575102 Energy: 0.6311497645804367 Energy: 0.5478338193670571 Energy: 0.6311497645796413 minimum gb energy = 0.39194194539160343 eV minimum distance = 2.673463210674 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.6404214644237036 Energy: 0.4932093215963254 Energy: 0.6404214644166273 Energy: 0.493209321595781 Energy: 0.640421464417716 Energy: 0.49320932159469233 Energy: 0.5509024612903832 Energy: 0.49109200689490795 Energy: 0.5523267036310687 Energy: 0.4910920068957492 Energy: 0.5511037571627341 Energy: 0.49109200689436366 Energy: 0.5025318361704365 Energy: 0.690316188000675 Energy: 0.502531836170981 Energy: 0.6903161880011698 Energy: 0.502531836170981 Energy: 0.6903161880009223 Energy: 0.5863377685775863 Energy: 0.48767453390966986 Energy: 0.5863377685645222 Energy: 0.4876745325391227 Energy: 0.5863377685650665 Energy: 0.48767453277714745 Energy: 0.5317050551025023 Energy: 0.5475028435758135 Energy: 0.5317050572470503 Energy: 0.5475028435766548 Energy: 0.5317050573920918 Energy: 0.5475028435741804 Energy: 0.49990288473389943 Energy: 0.5831199858347128 Energy: 0.49990288474206446 Energy: 0.5831199858600493 Energy: 0.4999028847428562 Energy: 0.5831199858377314 Energy: 0.5657500149067551 Energy: 0.6293892187946157 Energy: 0.5657500149062109 Energy: 0.629389218793527 Energy: 0.5657500149062109 Energy: 0.6293892187957045 Energy: 0.581047051672075 Energy: 0.5033687370093884 Energy: 0.5810470479714098 Energy: 0.5061867139494919 Energy: 0.5810470489505275 Energy: 0.5061867139481063 Energy: 0.49623091493169735 Energy: 0.5661609407370863 Energy: 0.49623091493169735 Energy: 0.5661609407370863 Energy: 0.49623091493199434 Energy: 0.566160940738175 Energy: 0.5289725394504409 Energy: 0.5563118914777313 Energy: 0.528972539464841 Energy: 0.5563118914771868 Energy: 0.5289725394517769 Energy: 0.5563118914760983 Energy: 0.5546547813819768 Energy: 0.5948666195042193 Energy: 0.5546547813806406 Energy: 0.594866619498479 Energy: 0.554654781382818 Energy: 0.5948666194976873 Energy: 0.4975587290951303 Energy: 0.5205238095906796 Energy: 0.49755867891378697 Energy: 0.5205238097250818 Energy: 0.4975587149066819 Energy: 0.5205238096902441 Energy: 0.5011458539509968 Energy: 0.49513572533069483 Energy: 0.5011458539528771 Energy: 0.49513584541954103 Energy: 0.5011458539528771 Energy: 0.4951357919567726 Energy: 0.5266576328273003 Energy: 0.5899327982024244 Energy: 0.5266576328273003 Energy: 0.5899327982244453 Energy: 0.5266576328286859 Energy: 0.5899327982168246 Energy: 0.5904948992831874 Energy: 0.5389148315986366 Energy: 0.5904948992592365 Energy: 0.538914831599181 Energy: 0.5904948992913525 Energy: 0.5389148315986366 Energy: 0.6175479675733101 Energy: 0.5272009273092022 Energy: 0.6175479675776647 Energy: 0.5272009273396357 Energy: 0.6175479675746461 Energy: 0.5272009273045506 Energy: 0.5579136681459987 Energy: 0.5519755786990387 Energy: 0.5579136681452069 Energy: 0.5519755787278887 Energy: 0.5579136681457513 Energy: 0.5519755785747313 Energy: 0.4886570418107086 Energy: 0.6256332738692751 Energy: 0.48865704180853126 Energy: 0.6256333363414511 Energy: 0.48865704180882824 Energy: 0.6256332887718471 Energy: 0.617658200796353 Energy: 0.5327762897685805 Energy: 0.6176582005906919 Energy: 0.5327762897685805 Energy: 0.6176582005161174 Energy: 0.5327762897685805 Energy: 0.49758967373471064 Energy: 0.517776163622069 Energy: 0.49758967372491253 Energy: 0.5177761637977917 Energy: 0.49758967376816277 Energy: 0.5177761635842623 Energy: 0.5203076388208704 Energy: 0.6306339137510326 Energy: 0.5203076388216621 Energy: 0.6306339137317332 Energy: 0.5203076388205734 Energy: 0.6306339137284672 Energy: 0.47095377102026365 Energy: 0.6422712062048408 Energy: 0.47095376388852944 Energy: 0.6422712061822261 Energy: 0.47095376565872055 Energy: 0.6422712062048408 Energy: 0.5874539090765424 Energy: 0.47473313376110676 Energy: 0.5874539090645668 Energy: 0.47473313376189846 Energy: 0.5874539090754538 Energy: 0.47473313376110676 Energy: 0.5257334127385234 Energy: 0.5392944663449571 Energy: 0.5257334127371378 Energy: 0.5392944663452046 Energy: 0.5257334127385234 Energy: 0.5392944663452046 Energy: 0.516369596323177 Energy: 0.629183063071226 Energy: 0.5163695963245626 Energy: 0.6291830630755806 Energy: 0.5163695963242657 Energy: 0.6291830630693455 Energy: 0.4975890580695683 Energy: 0.6002445342884938 Energy: 0.49758905806605486 Energy: 0.6002445342860195 Energy: 0.49758905808505727 Energy: 0.6002445342806256 Energy: 0.5552597055596051 Energy: 0.5295314309434905 Energy: 0.5552597055438193 Energy: 0.5295314309431937 Energy: 0.5552597055332295 Energy: 0.5295314309431937 Energy: 0.5326358283270465 Energy: 0.46653131534555375 Energy: 0.532635828327294 Energy: 0.4665313153453063 Energy: 0.5326358283278381 Energy: 0.4665313153659417 Energy: 0.5235860186488673 Energy: 0.5512035795696317 Energy: 0.5235860186505004 Energy: 0.5512035975169897 Energy: 0.5235860186507477 Energy: 0.5512036414384324 Energy: 0.5739577164067675 Energy: 0.554544341879915 Energy: 0.5739577164059263 Energy: 0.5545443416608926 Energy: 0.5739577164051346 Energy: 0.5545443419819044 Energy: 0.620002398013531 Energy: 0.5203857784671088 Energy: 0.6200023980137784 Energy: 0.5203857786747 Energy: 0.6200023980105124 Energy: 0.520385778935587 Energy: 0.5609351590681583 Energy: 0.4911319441959636 Energy: 0.5609351590684551 Energy: 0.49113194420576173 Energy: 0.5609351590681583 Energy: 0.49113194418972844 Energy: 0.5451201027299022 Energy: 0.5369160726016193 Energy: 0.5451201027299022 Energy: 0.536916072688664 Energy: 0.5451201027299022 Energy: 0.5369160726010749 Energy: 0.5923366675405131 Energy: 0.5357029505418761 Energy: 0.5923366666291408 Energy: 0.5357029505418761 Energy: 0.5923366667616627 Energy: 0.5357029505424205 Energy: 0.5702422395672313 Energy: 0.5433950143583441 Energy: 0.570242239566687 Energy: 0.5433950143741301 Energy: 0.5702422395702004 Energy: 0.5433950143719527 Energy: 0.5346327952721566 Energy: 0.6305934093550826 Energy: 0.5346327952721566 Energy: 0.6305934093553299 Energy: 0.5346327952724533 Energy: 0.6305934093553299 Energy: 0.4667957145040519 Energy: 0.531149662435803 Energy: 0.4667957145065261 Energy: 0.5311496624360997 Energy: 0.46679571450514057 Energy: 0.5311496624360997 Energy: 0.6324831264101793 Energy: 0.48745773705824363 Energy: 0.6324831257469267 Energy: 0.4874577370579467 Energy: 0.6324831268761831 Energy: 0.48745773705824363 Energy: 0.493303317614412 Energy: 0.6571276783884253 Energy: 0.493303317614412 Energy: 0.6571276786264995 Energy: 0.493303317614412 Energy: 0.6571276784749257 Energy: 0.5195258742115482 Energy: 0.6323635807466755 Energy: 0.5195258742115482 Energy: 0.6323635807480117 Energy: 0.5195258742142699 Energy: 0.6323635807491003 Energy: 0.5526664187870525 Energy: 0.5826049929656746 Energy: 0.5526691963014754 Energy: 0.5826049929659715 Energy: 0.5526653812951126 Energy: 0.5826049929659715 Energy: 0.6460161493011746 Energy: 0.46731609452055434 Energy: 0.6460161492943455 Energy: 0.46731609452134604 Energy: 0.6460161493003332 Energy: 0.46731609452025746 Energy: 0.4862151133795983 Energy: 0.639634328714779 Energy: 0.486215113379054 Energy: 0.6396343287142345 Energy: 0.4862151133798952 Energy: 0.6396343287142345 Energy: 0.5728397672991843 Energy: 0.49090715231947624 Energy: 0.5728397672994318 Energy: 0.4909071522984944 Energy: 0.572839767297007 Energy: 0.4909071523281857 Energy: 0.6159122415593997 Energy: 0.5087358973171842 Energy: 0.6159122415338157 Energy: 0.5087358973182728 Energy: 0.615912241522929 Energy: 0.5087358973166398 Energy: 0.6607143640313496 Energy: 0.49478191812791333 Energy: 0.6607143613886818 Energy: 0.4947819181295463 Energy: 0.6607143628846744 Energy: 0.49478191812821026 Energy: 0.5130772419117815 Energy: 0.586956764382068 Energy: 0.5130772419112372 Energy: 0.5869567643809793 Energy: 0.5130772419115341 Energy: 0.5869567643796432 Energy: 0.509827908942675 Energy: 0.4898732322955241 Energy: 0.5098279089429225 Energy: 0.4904233725283664 Energy: 0.5098279089429225 Energy: 0.48976579839100415 Energy: 0.4991786618213541 Energy: 0.5416052473620399 Energy: 0.4991786755712631 Energy: 0.5416052473628317 Energy: 0.4991786431174637 Energy: 0.5416052473614956 Energy: 0.5973726048503438 Energy: 0.5589345989335197 Energy: 0.5973726048508883 Energy: 0.5589345989329754 Energy: 0.5973726048536099 Energy: 0.5589345989337671 Energy: 0.5352324975751301 Energy: 0.5790835955099037 Energy: 0.5352324975745857 Energy: 0.5790835955079737 Energy: 0.5352324975718641 Energy: 0.5790835955096068 minimum gb energy = 0.4665313153453063 eV minimum distance = 2.5556792511924 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.6150336843827319 Energy: 0.523617564558408 Energy: 0.5998745316085548 Energy: 0.5236175645587816 Energy: 0.6150336843711518 Energy: 0.5236175645587816 Energy: 0.538238012703601 Energy: 0.5488782329719388 Energy: 0.5382380127032276 Energy: 0.5488782329719388 Energy: 0.5382380127032276 Energy: 0.5488782329715652 Energy: 0.54866677942921 Energy: 0.4666288415817512 Energy: 0.5285313160705216 Energy: 0.4666288415813776 Energy: 0.54866677942921 Energy: 0.46662884158100404 Energy: 0.4907530753051506 Energy: 0.5167070815914474 Energy: 0.4907530753047771 Energy: 0.516707081676209 Energy: 0.4907530753055241 Energy: 0.5167070816933584 Energy: 0.5297576294425039 Energy: 0.48664733956274087 Energy: 0.5297576294439982 Energy: 0.48664733956274087 Energy: 0.5297576294421303 Energy: 0.4866473395619938 Energy: 0.49705075266043924 Energy: 0.5307608366986514 Energy: 0.49705075266043924 Energy: 0.5307608366986514 Energy: 0.49705075266043924 Energy: 0.530760836699025 Energy: 0.530196133434984 Energy: 0.5349328706472541 Energy: 0.530196133434984 Energy: 0.5349328706465071 Energy: 0.5301961334353575 Energy: 0.5349328706472541 Energy: 0.5865562954220728 Energy: 0.6177267165897112 Energy: 0.5866071579906121 Energy: 0.617726716588964 Energy: 0.5865562954198313 Energy: 0.6177267165908318 Energy: 0.5535088419350472 Energy: 0.5259600479544949 Energy: 0.553508841936168 Energy: 0.5259600479544949 Energy: 0.5535088419346736 Energy: 0.5259600479533743 Energy: 0.539306559479627 Energy: 0.6210942436903081 Energy: 0.5393065594807477 Energy: 0.6213005054553508 Energy: 0.5393065594800006 Energy: 0.6212540249687836 Energy: 0.521786174294733 Energy: 0.528700679877036 Energy: 0.5217861742943595 Energy: 0.5287006798762889 Energy: 0.5217861742951065 Energy: 0.528700679877783 Energy: 0.5119333408107999 Energy: 0.5348862316752448 Energy: 0.511885991030533 Energy: 0.5348862316756184 Energy: 0.5119333408107999 Energy: 0.5348862316756184 Energy: 0.5365484205598451 Energy: 0.5406988571748463 Energy: 0.5365484205620864 Energy: 0.5407002153017734 Energy: 0.5365484205602187 Energy: 0.5406970482296463 Energy: 0.5275913393458931 Energy: 0.5193560968545743 Energy: 0.5275913393470137 Energy: 0.5193560968538271 Energy: 0.5275913393458931 Energy: 0.51935609685308 Energy: 0.46703535261265455 Energy: 0.48033848652421857 Energy: 0.4670353526145224 Energy: 0.4803384865245921 Energy: 0.4670353526167636 Energy: 0.4803384865238449 Energy: 0.5833400686547111 Energy: 0.5291419691522182 Energy: 0.5833400686550846 Energy: 0.5291419691522182 Energy: 0.5833400686550846 Energy: 0.5291419691525918 Energy: 0.549931975971376 Energy: 0.6003404411220313 Energy: 0.549976456308664 Energy: 0.6003404411227784 Energy: 0.5499319758735739 Energy: 0.6003404411227784 Energy: 0.5274520269106178 Energy: 0.6154530223821029 Energy: 0.5274132294604147 Energy: 0.6154530222043614 Energy: 0.527452026911365 Energy: 0.615453022054636 Energy: 0.46825949749436163 Energy: 0.5459523747960211 Energy: 0.46825949749286744 Energy: 0.5459523751391769 Energy: 0.46825949749436163 Energy: 0.5459523750734663 Energy: 0.5157991763580959 Energy: 0.5509005080041253 Energy: 0.5157991763513718 Energy: 0.5509005079914245 Energy: 0.5157991763312003 Energy: 0.5509005080041253 Energy: 0.4875014230933576 Energy: 0.5607611500253961 Energy: 0.487501423092237 Energy: 0.5607611500257698 Energy: 0.4875014230926105 Energy: 0.560761150023902 Energy: 0.5386977317351515 Energy: 0.590347509282773 Energy: 0.518363237506332 Energy: 0.590347509015787 Energy: 0.538697731734778 Energy: 0.5903475088250052 Energy: 0.5921487421648134 Energy: 0.6090469147218822 Energy: 0.5785474294298444 Energy: 0.6090469147226293 Energy: 0.5921487415793598 Energy: 0.6090469147237499 Energy: 0.6181738553709805 Energy: 0.5852596440860734 Energy: 0.6181738553709805 Energy: 0.5852596440860734 Energy: 0.618173855371354 Energy: 0.5852596440913032 Energy: 0.5300921306021655 Energy: 0.5508936952945283 Energy: 0.5300921305804996 Energy: 0.5508936952945283 Energy: 0.5300921305842351 Energy: 0.5508936952941548 Energy: 0.4684213948068792 Energy: 0.6343614652020115 Energy: 0.4684213948057585 Energy: 0.6343614652020115 Energy: 0.46842139480613204 Energy: 0.6343614652031322 Energy: 0.5273484121330715 Energy: 0.4918853692811502 Energy: 0.5273484121330715 Energy: 0.4918853692755469 Energy: 0.527348412132698 Energy: 0.49188536927666754 Energy: 0.5598144950515199 Energy: 0.6076127933354968 Energy: 0.5598144950515199 Energy: 0.6076127933351232 Energy: 0.5598144950515199 Energy: 0.6076127933358704 Energy: 0.5600318031183927 Energy: 0.5366822586320998 Energy: 0.5611752158466461 Energy: 0.5366822586324733 Energy: 0.5600318031116688 Energy: 0.5366822586335941 Energy: 0.4667376608783415 Energy: 0.4799634615804912 Energy: 0.4667376608794621 Energy: 0.4799634615808647 Energy: 0.4667376608790885 Energy: 0.47996346158161185 Energy: 0.5166670691885522 Energy: 0.683357125596184 Energy: 0.5166670691889258 Energy: 0.683357125596184 Energy: 0.5166670691881785 Energy: 0.6833571255987989 Energy: 0.5189171268758871 Energy: 0.5303436192615886 Energy: 0.5189171268762608 Energy: 0.5303436833461387 Energy: 0.5189171268758871 Energy: 0.5303436385434886 Energy: 0.5109087427525018 Energy: 0.5810362382802818 Energy: 0.5115947665629058 Energy: 0.5810362382799082 Energy: 0.5109087427424158 Energy: 0.5810362382802818 Energy: 0.5128610185165355 Energy: 0.529337406740492 Energy: 0.5127958875359353 Energy: 0.529337406740492 Energy: 0.5128610185165355 Energy: 0.5293374067419861 Energy: 0.5470708109611375 Energy: 0.6799332290836467 Energy: 0.547261835381484 Energy: 0.6799319823116204 Energy: 0.5470708109603903 Energy: 0.6799336929061546 Energy: 0.5259014902131456 Energy: 0.5608303280858615 Energy: 0.5259014902131456 Energy: 0.560830328122843 Energy: 0.5259014902131456 Energy: 0.5608303280877291 Energy: 0.5643393379358802 Energy: 0.5545811485100893 Energy: 0.5643393379306505 Energy: 0.5545811485104628 Energy: 0.5643393379474602 Energy: 0.5545811485115834 Energy: 0.530874360119335 Energy: 0.5338450534009397 Energy: 0.5308743601189615 Energy: 0.5338450534013133 Energy: 0.5308743601185879 Energy: 0.5338450534013133 minimum gb energy = 0.46662884158100404 eV minimum distance = 2.58864228984988 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 0.6109900386729445 Energy: 0.5084631180538602 Energy: 0.6109900386756976 Energy: 0.5084631180538602 Energy: 0.610990038674321 Energy: 0.5084631180538602 Energy: 0.5517716738911489 Energy: 0.48034660030852083 Energy: 0.5517716738929843 Energy: 0.4803466002846821 Energy: 0.5517716738920667 Energy: 0.4803466003144857 Energy: 0.5320618997898765 Energy: 0.6091236150411957 Energy: 0.5320618997898765 Energy: 0.6091236150411957 Energy: 0.5320618997894176 Energy: 0.6091236150411957 Energy: 0.5740127481361152 Energy: 0.4950187096726213 Energy: 0.5740127481356564 Energy: 0.495018709673539 Energy: 0.5740127481361152 Energy: 0.495018709673539 Energy: 0.5261359277576346 Energy: 0.5062697614408045 Energy: 0.5261359277580935 Energy: 0.5062697614408045 Energy: 0.5261359277585522 Energy: 0.5062697614408045 Energy: 0.5367486970528629 Energy: 0.5214301411195467 Energy: 0.5367486970597246 Energy: 0.521430142887117 Energy: 0.53674869706156 Energy: 0.5214301280420287 Energy: 0.5401170132547074 Energy: 0.5658402121800029 Energy: 0.5401170132611312 Energy: 0.5658402121804617 Energy: 0.5401170132629664 Energy: 0.5658402121804617 Energy: 0.5454953164942222 Energy: 0.5249165148192212 Energy: 0.5454953089661869 Energy: 0.5249165148192212 Energy: 0.5454952682311668 Energy: 0.5249165148192212 Energy: 0.603853992856474 Energy: 0.4760087550626286 Energy: 0.6038539928560153 Energy: 0.4760087550630875 Energy: 0.603853992856474 Energy: 0.4760087550630875 Energy: 0.4978543271031795 Energy: 0.5759251511760328 Energy: 0.4978543271027206 Energy: 0.5759247174131586 Energy: 0.4978543271031795 Energy: 0.5759252468329787 Energy: 0.5923260633937535 Energy: 0.5204256139942486 Energy: 0.5923260633937535 Energy: 0.5204256139942486 Energy: 0.5923260633937535 Energy: 0.520425613993331 Energy: 0.49296764826697054 Energy: 0.5064198891434095 Energy: 0.49296764826742934 Energy: 0.5063782788007699 Energy: 0.4929676482665117 Energy: 0.5063980607715697 Energy: 0.5283323584753112 Energy: 0.5946133253373992 Energy: 0.5283323582258284 Energy: 0.5946133253429052 Energy: 0.5283323591724536 Energy: 0.5946133253424465 Energy: 0.47581285746029156 Energy: 0.6233249866195741 Energy: 0.4758128574607504 Energy: 0.6233255217934353 Energy: 0.4758128574607504 Energy: 0.623326180811932 Energy: 0.5601793072632544 Energy: 0.5530195156572572 Energy: 0.5601793072632544 Energy: 0.5530195156577159 Energy: 0.5601793072637132 Energy: 0.5530195156577159 Energy: 0.5628709105088303 Energy: 0.5420187535638082 Energy: 0.5628709105056184 Energy: 0.5420187535642671 Energy: 0.5628709105083715 Energy: 0.5420187535638082 Energy: 0.5323885830316353 Energy: 0.481818892316948 Energy: 0.5323885832077457 Energy: 0.48181889231740693 Energy: 0.5323885820166849 Energy: 0.48181889231740693 Energy: 0.5795109569577351 Energy: 0.5441018861694752 Energy: 0.5795109569591117 Energy: 0.5441018861694752 Energy: 0.579510956958194 Energy: 0.5441018861694752 Energy: 0.5615572620173667 Energy: 0.5406935669176074 Energy: 0.5615572620169078 Energy: 0.5406935669176074 Energy: 0.5615572620169078 Energy: 0.5406935669166897 Energy: 0.5286422566949742 Energy: 0.4814474988534368 Energy: 0.5286422566940565 Energy: 0.48144749885435445 Energy: 0.5286422566945154 Energy: 0.48144749885297794 Energy: 0.4997853447771792 Energy: 0.5495305337851162 Energy: 0.4997853447386367 Energy: 0.5495305337869516 Energy: 0.4997853446854532 Energy: 0.5495305337864927 Energy: 0.5641234144840989 Energy: 0.5391449015520652 Energy: 0.5641234144831812 Energy: 0.5391449015520652 Energy: 0.5641234144850165 Energy: 0.5391449015520652 Energy: 0.47593353049848874 Energy: 0.5566702626699063 Energy: 0.47593353049848874 Energy: 0.5566702627052158 Energy: 0.47593353049848874 Energy: 0.5566702626841094 Energy: 0.5295222974407326 Energy: 0.5976187445357897 Energy: 0.5295222974407326 Energy: 0.5976187445435691 Energy: 0.5295222974407326 Energy: 0.5976187445371661 Energy: 0.5439614327066801 Energy: 0.49923930282168316 Energy: 0.5439614327126242 Energy: 0.4992393028212243 Energy: 0.5439614327094123 Energy: 0.49923930282076545 Energy: 0.5932423146192408 Energy: 0.5374538811996586 Energy: 0.5932423146196997 Energy: 0.5374538811996586 Energy: 0.5932423146206174 Energy: 0.5374538811996586 Energy: 0.4965895634924943 Energy: 0.5572222589186802 Energy: 0.49658956349203537 Energy: 0.5572222589136329 Energy: 0.49658956349203537 Energy: 0.5572222589209743 Energy: 0.5775735139158308 Energy: 0.4751540214868159 Energy: 0.5775735138901568 Energy: 0.47515402148727476 Energy: 0.5775735138906155 Energy: 0.47515402148727476 Energy: 0.5425635154115136 Energy: 0.5263078295114199 Energy: 0.5425635114085455 Energy: 0.5263078295114199 Energy: 0.5425634843945017 Energy: 0.5263078295114199 Energy: 0.5245967381453459 Energy: 0.540329226861861 Energy: 0.5245967385241797 Energy: 0.5403292268623198 Energy: 0.5245967393625607 Energy: 0.5403292268627787 Energy: 0.5385047524607702 Energy: 0.5576340077655101 Energy: 0.5385047524626057 Energy: 0.5576344967332882 Energy: 0.5385047524662764 Energy: 0.5576340777563538 minimum gb energy = 0.4751540214868159 eV minimum distance = 2.56796988276747 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5977063949383017 Energy: 0.47950654680942595 Energy: 0.5977063949377076 Energy: 0.47950654680942595 Energy: 0.5977063949377076 Energy: 0.47950654680942595 Energy: 0.5068814737454578 Energy: 0.4534638858119699 Energy: 0.5068814737448637 Energy: 0.4534638858119699 Energy: 0.5068814737454578 Energy: 0.4534638858113758 Energy: 0.5415419414222387 Energy: 0.5658906865351853 Energy: 0.5415419414222387 Energy: 0.5658906865351853 Energy: 0.5415419414222387 Energy: 0.5658906865351853 Energy: 0.6442156435337506 Energy: 0.5018330156954027 Energy: 0.6442156435331565 Energy: 0.5018330156954027 Energy: 0.6442156435343447 Energy: 0.5018330156954027 Energy: 0.6466798843743925 Energy: 0.568553060346326 Energy: 0.6466798843743925 Energy: 0.568553060346326 Energy: 0.6466798843743925 Energy: 0.568553060346326 Energy: 0.5408816894620601 Energy: 0.518460777697644 Energy: 0.5408816894620601 Energy: 0.5184607775509829 Energy: 0.5408816894620601 Energy: 0.5184607770165112 Energy: 0.5351201185540243 Energy: 0.5544168450868429 Energy: 0.5351201185546184 Energy: 0.5544168450868429 Energy: 0.5351201185546184 Energy: 0.5544168450868429 Energy: 0.5549552387456622 Energy: 0.4803885257608099 Energy: 0.5549552387426918 Energy: 0.480388525761404 Energy: 0.5549552387450681 Energy: 0.4803885257608099 Energy: 0.5931257901472177 Energy: 0.52697150151671 Energy: 0.5931257901472177 Energy: 0.52697150151671 Energy: 0.5931257901478117 Energy: 0.5269715015161159 Energy: 0.4604736941202601 Energy: 0.515258052476547 Energy: 0.4604736941202601 Energy: 0.5152580524836761 Energy: 0.4604736941208542 Energy: 0.5152580524807057 Energy: 0.5350194451807911 Energy: 0.6218588147904259 Energy: 0.5350194451825735 Energy: 0.6218588147916141 Energy: 0.5350194451825735 Energy: 0.6218588147904259 Energy: 0.5981300616235038 Energy: 0.515302163969582 Energy: 0.5981300616235038 Energy: 0.5153021645141262 Energy: 0.5981300616240979 Energy: 0.5153021641512947 Energy: 0.5090753664739867 Energy: 0.5272410430248 Energy: 0.5090753664739867 Energy: 0.5272410430248 Energy: 0.5090753664739867 Energy: 0.5272410430248 Energy: 0.5787264639450034 Energy: 0.45767269670007504 Energy: 0.5787264639450034 Energy: 0.45767269670007504 Energy: 0.5787264639450034 Energy: 0.4576726967006691 Energy: 0.5303532346396749 Energy: 0.5169939463505249 Energy: 0.5303532346396749 Energy: 0.5169939463505249 Energy: 0.5303532346390808 Energy: 0.5169939463505249 Energy: 0.5934328660531797 Energy: 0.5003964408673026 Energy: 0.5934328660531797 Energy: 0.5003964408678967 Energy: 0.5934328660525855 Energy: 0.5003964408673026 Energy: 0.4570553422036045 Energy: 0.5070490563023249 Energy: 0.45705534220419863 Energy: 0.5070490563035129 Energy: 0.4570553422036045 Energy: 0.5070490563017307 Energy: 0.5345141163131 Energy: 0.509488766304157 Energy: 0.5345141163131 Energy: 0.509488766304157 Energy: 0.5345141163131 Energy: 0.509488766304157 Energy: 0.4569638182010637 Energy: 0.5069574253829903 Energy: 0.4569638182016577 Energy: 0.5069574253823963 Energy: 0.4569638182010637 Energy: 0.5069574253829903 Energy: 0.5925621611184132 Energy: 0.5004091155017164 Energy: 0.5925621611184132 Energy: 0.5004091155017164 Energy: 0.5925621611184132 Energy: 0.5004091155017164 Energy: 0.5303046902638112 Energy: 0.5170966896063515 Energy: 0.5303046902644053 Energy: 0.5170966896063515 Energy: 0.5303046902638112 Energy: 0.5170966896063515 Energy: 0.5787288217335459 Energy: 0.4939083136105292 Energy: 0.5787288217335459 Energy: 0.4939083136105292 Energy: 0.5787288217335459 Energy: 0.4939083136105292 Energy: 0.509122467293691 Energy: 0.5272940831595482 Energy: 0.509122467293691 Energy: 0.5272940831595482 Energy: 0.509122467293691 Energy: 0.5272940831595482 Energy: 0.5980342907816543 Energy: 0.5153181218460715 Energy: 0.5980342907822483 Energy: 0.5153181275878609 Energy: 0.5980342907816543 Energy: 0.515318123454185 minimum gb energy = 0.4534638858113758 eV minimum distance = 2.55479645402241 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.5958525683888701 Energy: 0.4743603700832419 Energy: 0.5958525683888701 Energy: 0.4743603700832419 Energy: 0.5958525683888701 Energy: 0.4743603700832419 Energy: 0.5118081756091036 Energy: 0.45194892262422365 Energy: 0.5118081756091036 Energy: 0.45194892262422365 Energy: 0.5118081756091036 Energy: 0.45194892262422365 Energy: 0.49696305562098536 Energy: 0.511253014725635 Energy: 0.49696305562098536 Energy: 0.511253014759223 Energy: 0.49696305562098536 Energy: 0.511253014711352 Energy: 0.5651502517564062 Energy: 0.5072289468456079 Energy: 0.5651502517564062 Energy: 0.5072289468472883 Energy: 0.5651502517564062 Energy: 0.5072289468128599 Energy: 0.5630677818578308 Energy: 0.5654738369378043 Energy: 0.5630677818578308 Energy: 0.5654738369336033 Energy: 0.5630677818578308 Energy: 0.5654738369268819 Energy: 0.4819899503904962 Energy: 0.5095042378433792 Energy: 0.4819899503904962 Energy: 0.5095042378442195 Energy: 0.4819899503904962 Energy: 0.5095042378433792 Energy: 0.49617409771729776 Energy: 0.5379400353008866 Energy: 0.4961740977198183 Energy: 0.5379400353025668 Energy: 0.49617409771645754 Energy: 0.5379400353025668 Energy: 0.5649972733237048 Energy: 0.567267138081616 Energy: 0.5649972733237048 Energy: 0.567267138081616 Energy: 0.5649972733237048 Energy: 0.567267138081616 Energy: 0.48678592698476103 Energy: 0.5290548782357399 Energy: 0.48678592698560114 Energy: 0.5290548782357399 Energy: 0.48678592698476103 Energy: 0.5290548782348997 Energy: 0.47035269580217953 Energy: 0.45821778128012136 Energy: 0.47035269580301975 Energy: 0.45821778128012136 Energy: 0.47035269580217953 Energy: 0.45821778128012136 Energy: 0.4720158433742118 Energy: 0.5118126582313522 Energy: 0.472015843384294 Energy: 0.5118126582313522 Energy: 0.4720158433641297 Energy: 0.5118126582313522 Energy: 0.5554692775096194 Energy: 0.5701158257094201 Energy: 0.5554692775096194 Energy: 0.5701158257094201 Energy: 0.5554692775096194 Energy: 0.5701158257094201 Energy: 0.4360712567930017 Energy: 0.5094969251390087 Energy: 0.4360712567930017 Energy: 0.509496925139849 Energy: 0.4360712567930017 Energy: 0.509496925139849 Energy: 0.47871997684391787 Energy: 0.5096983827581814 Energy: 0.47871997684223755 Energy: 0.5096983827581814 Energy: 0.4787199768430777 Energy: 0.5096983827581814 Energy: 0.4813290332099332 Energy: 0.5649121349008411 Energy: 0.4813290332099332 Energy: 0.5649121349008411 Energy: 0.4813290332099332 Energy: 0.5649121349000201 Energy: 0.4815310712973622 Energy: 0.6153430573963031 Energy: 0.4815310712982024 Energy: 0.6153430573963031 Energy: 0.4815310712982024 Energy: 0.6153430573963031 Energy: 0.47685212316780845 Energy: 0.5112245861901462 Energy: 0.47685212316780845 Energy: 0.5112245861901462 Energy: 0.4768521231661281 Energy: 0.5112245861901462 minimum gb energy = 0.4360712567930017 eV minimum distance = 2.64009361104356 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.5689248037259942 Energy: 0.4406778533186393 Energy: 0.568924803726643 Energy: 0.44067785331896375 Energy: 0.5689248037256697 Energy: 0.44067785331896375 Energy: 0.4964203729001654 Energy: 0.44264633345391147 Energy: 0.4964203729004898 Energy: 0.4426463334526137 Energy: 0.4964203729001654 Energy: 0.44264633345423593 Energy: 0.465413636144844 Energy: 0.49504125143660793 Energy: 0.46541363614549286 Energy: 0.49504125143660793 Energy: 0.46541363614549286 Energy: 0.49504125143660793 Energy: 0.5389026466378407 Energy: 0.46628223984449274 Energy: 0.5389026466375163 Energy: 0.46628223984222156 Energy: 0.5389026466368674 Energy: 0.46628223984092376 Energy: 0.5660349346438619 Energy: 0.4892858957830313 Energy: 0.5660349346438619 Energy: 0.4892858957840046 Energy: 0.5660349346441568 Energy: 0.4892858957840046 Energy: 0.46762237892095787 Energy: 0.44338484571443554 Energy: 0.46762237892095787 Energy: 0.44338484571540887 Energy: 0.4676223789212823 Energy: 0.44338484571540887 Energy: 0.4977468664125868 Energy: 0.4506472097281466 Energy: 0.49774686641485794 Energy: 0.4506472097278222 Energy: 0.4977468664138846 Energy: 0.4506472097281466 Energy: 0.5362310690430784 Energy: 0.5308343828607561 Energy: 0.5362310690430784 Energy: 0.5308343828607561 Energy: 0.5362310690424295 Energy: 0.5308343828617295 Energy: 0.5159176579673583 Energy: 0.4582303595018234 Energy: 0.5159176579465936 Energy: 0.4582303594976055 Energy: 0.5159176579637894 Energy: 0.4582303595037701 Energy: 0.4983639303524067 Energy: 0.4125059520606503 Energy: 0.49836393035273113 Energy: 0.41250595205935253 Energy: 0.49836393035662446 Energy: 0.41250595205935253 Energy: 0.5423560566095634 Energy: 0.5187555300156791 Energy: 0.5423560566105075 Energy: 0.5187555300143812 Energy: 0.5423560566098878 Energy: 0.5187555300153546 Energy: 0.468568120329429 Energy: 0.5490169794591934 Energy: 0.46856812032910455 Energy: 0.5490169794591934 Energy: 0.46856812032910455 Energy: 0.5490169794608155 Energy: 0.5076291431375058 Energy: 0.48679305919175764 Energy: 0.5076291431378007 Energy: 0.48679305919045984 Energy: 0.5076291431371814 Energy: 0.48679305919110877 Energy: 0.44718819421899514 Energy: 0.4790938991096906 Energy: 0.4471881942245107 Energy: 0.47909389910936606 Energy: 0.44718819424200146 Energy: 0.4790938991096906 Energy: 0.5258987198369164 Energy: 0.5449741767749989 Energy: 0.5258987198375653 Energy: 0.5449741767743501 Energy: 0.5258987198349697 Energy: 0.5449741767753233 Energy: 0.4222233123576608 Energy: 0.49863893124595604 Energy: 0.4222233123576608 Energy: 0.49863893124952496 Energy: 0.42222331235798527 Energy: 0.49863893124595604 Energy: 0.44657240101239193 Energy: 0.4568729294564772 Energy: 0.44657240101271645 Energy: 0.4568729294564772 Energy: 0.44657240101466306 Energy: 0.4568729294564772 Energy: 0.4735049559113567 Energy: 0.5297029948004741 Energy: 0.47350495737169584 Energy: 0.5297029948001497 Energy: 0.4735049566400663 Energy: 0.5297029948004741 Energy: 0.45169514365475 Energy: 0.5693813930126396 Energy: 0.451695143654101 Energy: 0.5693813930119906 Energy: 0.45169514365475 Energy: 0.5693813930136129 Energy: 0.4466363306637635 Energy: 0.41242159018695373 Energy: 0.4466363306637635 Energy: 0.41242159018662927 Energy: 0.4466363306644125 Energy: 0.41242159018662927 Energy: 0.4514387841082162 Energy: 0.569410213490078 Energy: 0.4514387841117851 Energy: 0.5694102134897536 Energy: 0.45143878410626953 Energy: 0.5694102134897536 Energy: 0.4719824997324859 Energy: 0.529712410659443 Energy: 0.4719825111155563 Energy: 0.5297124106597674 Energy: 0.47198253327229556 Energy: 0.5297124106597674 Energy: 0.4470674132850107 Energy: 0.45690862566963525 Energy: 0.4470674132850107 Energy: 0.45690862566963525 Energy: 0.4470674132850107 Energy: 0.45690862566963525 Energy: 0.42276199329854114 Energy: 0.5379847332064823 Energy: 0.42276199329724334 Energy: 0.5379847332058334 Energy: 0.42276199329724334 Energy: 0.5379847332061579 Energy: 0.5257817702518385 Energy: 0.5450326537982484 Energy: 0.5257817702511896 Energy: 0.5450326537969508 Energy: 0.5257817702521629 Energy: 0.5450326537969508 Energy: 0.44707128955611886 Energy: 0.47845952586267515 Energy: 0.44707128955611886 Energy: 0.47845952586299967 Energy: 0.44707128955611886 Energy: 0.47845952586267515 Energy: 0.5076491539206545 Energy: 0.48670619512970775 Energy: 0.50764915392033 Energy: 0.48670619512192104 Energy: 0.50764915392033 Energy: 0.4867061951134854 Energy: 0.46765799591776386 Energy: 0.5490418212436108 Energy: 0.46765799591743934 Energy: 0.5490418212432864 Energy: 0.4676579959180883 Energy: 0.5490418212442597 Energy: 0.5424444131880106 Energy: 0.5181795407514644 Energy: 0.5424444131886595 Energy: 0.5181795407514644 Energy: 0.5424444131883351 Energy: 0.5181795407514644 Energy: 0.4995734211866874 Energy: 0.41247463160361003 Energy: 0.4995734211870119 Energy: 0.41247463160425896 Energy: 0.49957342118766074 Energy: 0.41247463160393444 Energy: 0.5179855325553159 Energy: 0.45830475071141075 Energy: 0.5179855325572625 Energy: 0.4583047507149797 Energy: 0.517985532556938 Energy: 0.4583047507191975 Energy: 0.5357790623674802 Energy: 0.5303744966320231 Energy: 0.5357790623681291 Energy: 0.5303744966304008 Energy: 0.5357790623671558 Energy: 0.5303744966313743 Energy: 0.4967492986932933 Energy: 0.4506339832050208 Energy: 0.49674929869653783 Energy: 0.4506339832046964 Energy: 0.49674929869783563 Energy: 0.4506339832053453 Energy: 0.4677070565447002 Energy: 0.4314889575039959 Energy: 0.4677070565447002 Energy: 0.431488957503347 Energy: 0.46770705654502465 Energy: 0.4314889575036715 Energy: 0.5661425946285248 Energy: 0.4893240791025621 Energy: 0.5661425946288493 Energy: 0.489324079099996 Energy: 0.5661425946285248 Energy: 0.4893240790993471 Energy: 0.5397109118053407 Energy: 0.4705692120134609 Energy: 0.5397109118053407 Energy: 0.4705692120235188 Energy: 0.5397109118053407 Energy: 0.4705692120160565 Energy: 0.4654644473670857 Energy: 0.4947342956377002 Energy: 0.4654644473664368 Energy: 0.4947342956380246 Energy: 0.4654644473664368 Energy: 0.4947342956377002 Energy: 0.4969375806342591 Energy: 0.431045618424155 Energy: 0.4969375806345835 Energy: 0.431045618424155 Energy: 0.4969375806345835 Energy: 0.4310456184244794 Energy: 0.5689248037250209 Energy: 0.44067785331896375 Energy: 0.5689248037253453 Energy: 0.44067785331896375 Energy: 0.5689248037256697 Energy: 0.44067785331928816 Energy: 0.496420372899192 Energy: 0.5053066884711855 Energy: 0.49642037289659646 Energy: 0.5053066884698878 Energy: 0.4964203728972453 Energy: 0.5053066884698878 Energy: 0.46541363614614173 Energy: 0.49504125143595906 Energy: 0.4654136361458173 Energy: 0.4950412514362835 Energy: 0.46541363614549286 Energy: 0.4950412514362835 Energy: 0.5389026466371919 Energy: 0.466282239854875 Energy: 0.5389026466368674 Energy: 0.4662822398551995 Energy: 0.5389026466378407 Energy: 0.4662822398522794 Energy: 0.5660349346435374 Energy: 0.4892858957853024 Energy: 0.5660349346435374 Energy: 0.48928589578854687 Energy: 0.5660349346435374 Energy: 0.489285895784978 minimum gb energy = 0.41242159018662927 eV minimum distance = 2.52155467562143 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5479558513315977 Energy: 0.412027441665004 Energy: 0.5479558514461862 Energy: 0.41202744166553223 Energy: 0.5479558509635798 Energy: 0.41202744166553223 Energy: 0.4590359294426603 Energy: 0.46532237451867625 Energy: 0.45903592944160376 Energy: 0.4653223745192045 Energy: 0.45903592944160376 Energy: 0.465322374518148 Energy: 0.45077309056766685 Energy: 0.4642440454361319 Energy: 0.4507730905666103 Energy: 0.4642440454366602 Energy: 0.4507730905666103 Energy: 0.4642440454366602 Energy: 0.5151335295116201 Energy: 0.4410137642187582 Energy: 0.5151335295116201 Energy: 0.44101376420872096 Energy: 0.5151335295121483 Energy: 0.4410137642066079 Energy: 0.5148026142882207 Energy: 0.457378902110579 Energy: 0.5148026142845228 Energy: 0.457378902110579 Energy: 0.5148026142818812 Energy: 0.4573789021111073 Energy: 0.43783476332840887 Energy: 0.4066175195297271 Energy: 0.4378347633273523 Energy: 0.4066175195302553 Energy: 0.43783476332840887 Energy: 0.4066175195302553 Energy: 0.5099987289906108 Energy: 0.4299937055813296 Energy: 0.5099987289900826 Energy: 0.4299937055834428 Energy: 0.5099987289911391 Energy: 0.42999370558397104 Energy: 0.4970175619606998 Energy: 0.5045234738737313 Energy: 0.4970175619601715 Energy: 0.5045234738732031 Energy: 0.4970175619601715 Energy: 0.5045234738732031 Energy: 0.41305144459166077 Energy: 0.4077650603578263 Energy: 0.41305144459166077 Energy: 0.4077650603578263 Energy: 0.4130514445927173 Energy: 0.4077650603588828 Energy: 0.46709084262529066 Energy: 0.41886422109182325 Energy: 0.46709084533199724 Energy: 0.41886422109182325 Energy: 0.4670908270279177 Energy: 0.41886422109340804 Energy: 0.5040302066910757 Energy: 0.503338267864622 Energy: 0.5040302066910757 Energy: 0.5033382678662068 Energy: 0.5040302066900192 Energy: 0.5033382678667351 Energy: 0.42633715588145593 Energy: 0.5123442523822751 Energy: 0.4263371558809277 Energy: 0.512344252387558 Energy: 0.42633715588145593 Energy: 0.5123442523954821 Energy: 0.46529936124403765 Energy: 0.4516383387885635 Energy: 0.46529936124403765 Energy: 0.45163833878697873 Energy: 0.46529936124403765 Energy: 0.45163833878697873 Energy: 0.516163754366411 Energy: 0.46979447938647745 Energy: 0.516163754366411 Energy: 0.4697944793891189 Energy: 0.5161637543658827 Energy: 0.46979447939070373 Energy: 0.44068479041228753 Energy: 0.5246680495244509 Energy: 0.44068479041228753 Energy: 0.5246680495270923 Energy: 0.44068479041329606 Energy: 0.5246680495307903 Energy: 0.47290250271942785 Energy: 0.4614247472306191 Energy: 0.4729025027199561 Energy: 0.46142474722903437 Energy: 0.4729025027199561 Energy: 0.461424747232204 Energy: 0.4798778720404069 Energy: 0.45634145598510545 Energy: 0.4798778720398786 Energy: 0.45634145598510545 Energy: 0.4798778720404069 Energy: 0.45634145598510545 Energy: 0.4881244782599898 Energy: 0.5230494573055408 Energy: 0.488124478260518 Energy: 0.5230494571861979 Energy: 0.488124478260518 Energy: 0.5230494573092387 Energy: 0.4630395599586051 Energy: 0.4765859891295494 Energy: 0.46303955995754853 Energy: 0.4765859891195121 Energy: 0.46303955995807683 Energy: 0.4765859891195121 Energy: 0.4640145021060419 Energy: 0.43489402327086063 Energy: 0.4640145021060419 Energy: 0.43489402327086063 Energy: 0.4640145021065702 Energy: 0.43489402327086063 Energy: 0.4398247929930483 Energy: 0.5035723493460161 Energy: 0.43982479298565247 Energy: 0.5035723493428463 Energy: 0.4398247929708606 Energy: 0.5035723493328091 Energy: 0.39199507668130945 Energy: 0.5314314480615603 Energy: 0.3919950766807812 Energy: 0.5314314480615603 Energy: 0.3919950766807812 Energy: 0.5314314480615603 Energy: 0.4182987009242797 Energy: 0.42665137888917576 Energy: 0.41829870092322313 Energy: 0.42665137888917576 Energy: 0.4182987009237514 Energy: 0.42665137888917576 Energy: 0.4312991171061013 Energy: 0.5513906339941681 Energy: 0.4312991171061013 Energy: 0.5513906339936879 Energy: 0.43129911710557295 Energy: 0.5513906339931597 Energy: 0.4215106012186642 Energy: 0.5015244572201489 Energy: 0.42151060121813594 Energy: 0.5015244572201489 Energy: 0.42151060121760764 Energy: 0.5015244572196207 Energy: 0.41157876893298395 Energy: 0.4264899853507715 Energy: 0.41157876893087086 Energy: 0.4264899853507715 Energy: 0.4115787689319274 Energy: 0.4264899853507715 Energy: 0.398389916122024 Energy: 0.4769291400745713 Energy: 0.3983899161225523 Energy: 0.4769291400217434 Energy: 0.39838991612149577 Energy: 0.4769291400745713 minimum gb energy = 0.3919950766807812 eV minimum distance = 2.54468473999181 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.500247644464038 Energy: 0.3741667763679672 Energy: 0.5002476444636531 Energy: 0.374166776368737 Energy: 0.5002476444644229 Energy: 0.37416677636642764 Energy: 0.40349388360433347 Energy: 0.4167372998107771 Energy: 0.4034938836200796 Energy: 0.4167372998127016 Energy: 0.4034938836074127 Energy: 0.4167372998134714 Energy: 0.38842023346281146 Energy: 0.4175968382839535 Energy: 0.38842023346281146 Energy: 0.41759683828930716 Energy: 0.3884202334582276 Energy: 0.4175968382847233 Energy: 0.474309432236878 Energy: 0.38123688885800905 Energy: 0.4743094323969289 Energy: 0.3812368860987234 Energy: 0.47430943224534594 Energy: 0.381236887393337 Energy: 0.44335329273160085 Energy: 0.40480860341935526 Energy: 0.4433532927323707 Energy: 0.40480860341858543 Energy: 0.44335329273160085 Energy: 0.40480860342051 Energy: 0.3791430202809693 Energy: 0.4061435889281605 Energy: 0.3791430202809693 Energy: 0.4061435889277756 Energy: 0.3791430202809693 Energy: 0.4061435889285454 Energy: 0.45465229256515 Energy: 0.37658222528635754 Energy: 0.454652292564765 Energy: 0.376582229077541 Energy: 0.454652292564765 Energy: 0.3765822239728485 Energy: 0.4714492527719131 Energy: 0.4443050835267831 Energy: 0.4714492527696037 Energy: 0.444305083527168 Energy: 0.47144925277114325 Energy: 0.444305083527168 Energy: 0.3691794968209531 Energy: 0.4035026187546807 Energy: 0.36917949682056816 Energy: 0.4035026187550655 Energy: 0.369179496821303 Energy: 0.40350261875391086 Energy: 0.48285070713148703 Energy: 0.36696637895355994 Energy: 0.48285070713148703 Energy: 0.3669663789681863 Energy: 0.48285070713187195 Energy: 0.36696637896202783 Energy: 0.43747717550387677 Energy: 0.43581222448976564 Energy: 0.43747717551003523 Energy: 0.43581222448976564 Energy: 0.4374771755050315 Energy: 0.4358122244889958 Energy: 0.3986022670266322 Energy: 0.4030364158981175 Energy: 0.398602267027402 Energy: 0.4030364158985025 Energy: 0.398602267027402 Energy: 0.4030364158985025 Energy: 0.4098172125089039 Energy: 0.3558472619129914 Energy: 0.4098172125065944 Energy: 0.3558472619133763 Energy: 0.40981721250428504 Energy: 0.3558472619133763 Energy: 0.44466589747431506 Energy: 0.4446088708110427 Energy: 0.44466589747085095 Energy: 0.44460887081219747 Energy: 0.4446658974700811 Energy: 0.44460887081181255 Energy: 0.3960344600194906 Energy: 0.4030440092347774 Energy: 0.3960344600244945 Energy: 0.40304400923631706 Energy: 0.39603446002103027 Energy: 0.40304400923708683 Energy: 0.4146391726604598 Energy: 0.3786154930075116 Energy: 0.41463917266122957 Energy: 0.3786154930094361 Energy: 0.4146391726600749 Energy: 0.3786154930194437 Energy: 0.44984311781647024 Energy: 0.4425167485730053 Energy: 0.44984311781647024 Energy: 0.44251674857069595 Energy: 0.44984311781685515 Energy: 0.44251674856838646 Energy: 0.3766502501296354 Energy: 0.4591016638001828 Energy: 0.3766502501292505 Energy: 0.45910166370245165 Energy: 0.3766502501292505 Energy: 0.4591016637997979 Energy: 0.40522319746821667 Energy: 0.39379870593121713 Energy: 0.40522319746821667 Energy: 0.39379870593083227 Energy: 0.4052231974686015 Energy: 0.39379870593044736 Energy: 0.46251678650386435 Energy: 0.4439095797525457 Energy: 0.4625167865042493 Energy: 0.4439095797525457 Energy: 0.46251678650270966 Energy: 0.44390957975293066 Energy: 0.385149786973444 Energy: 0.4926826207822863 Energy: 0.3851497870288354 Energy: 0.4926826207822863 Energy: 0.38514978703730335 Energy: 0.4926826207842109 Energy: 0.42119684415597913 Energy: 0.4055904646044893 Energy: 0.4211968436300577 Energy: 0.4055904645964063 Energy: 0.4211968790010584 Energy: 0.4055904645798903 Energy: 0.42403393598847405 Energy: 0.4001021751380179 Energy: 0.42403393598808914 Energy: 0.4001021751380179 Energy: 0.4240339359873194 Energy: 0.4001021751380179 Energy: 0.4250825969389401 Energy: 0.4909846528762515 Energy: 0.42508259684162897 Energy: 0.4909846528750967 Energy: 0.4250825969058732 Energy: 0.4909846528743269 Energy: 0.40478488280410996 Energy: 0.4045827673068037 Energy: 0.40478488280410996 Energy: 0.40458276731912063 Energy: 0.40478488280410996 Energy: 0.4045827673160414 Energy: 0.4043372706526556 Energy: 0.382356264140144 Energy: 0.4043372706534254 Energy: 0.382356264140144 Energy: 0.4043372706522707 Energy: 0.382356264140144 Energy: 0.3938470935792629 Energy: 0.4683477901103785 Energy: 0.39384709357849307 Energy: 0.46834779013154837 Energy: 0.393847093578878 Energy: 0.4683477901157672 Energy: 0.34070786711149775 Energy: 0.3982248410795157 Energy: 0.34070786711149775 Energy: 0.3982248680128885 Energy: 0.3407078671118826 Energy: 0.3982248255916358 Energy: 0.3598453191580569 Energy: 0.3680164664453686 Energy: 0.3598453191592116 Energy: 0.36801646644498376 Energy: 0.35984531915882667 Energy: 0.3680164664453686 Energy: 0.36379766624462023 Energy: 0.44925210999529963 Energy: 0.3634119107425181 Energy: 0.44925210999568455 Energy: 0.3634484580451602 Energy: 0.44925210999529963 Energy: 0.4050849894753194 Energy: 0.48192866238236043 Energy: 0.3355479453699036 Energy: 0.48192866238236043 Energy: 0.40508498947493454 Energy: 0.48192866238236043 Energy: 0.40108892994656214 Energy: 0.36349176395030275 Energy: 0.40108892994656214 Energy: 0.36349176394991783 Energy: 0.4010889299457923 Energy: 0.36349176394991783 Energy: 0.35565306173969946 Energy: 0.4816192853393066 Energy: 0.35565306174008443 Energy: 0.4816192853400764 Energy: 0.3556530617389297 Energy: 0.4816192853400764 Energy: 0.4429845181033691 Energy: 0.441644545465878 Energy: 0.4429845181033691 Energy: 0.4416445454551356 Energy: 0.4429845181029842 Energy: 0.4416445454662629 Energy: 0.4005810777193211 Energy: 0.3838859224676563 Energy: 0.40058107771778145 Energy: 0.3838859224676563 Energy: 0.4005810777158569 Energy: 0.3838859224676563 Energy: 0.3371770414116741 Energy: 0.40460674375240163 Energy: 0.3371770414116741 Energy: 0.4046067437516318 Energy: 0.33717704141282884 Energy: 0.40460674375240163 minimum gb energy = 0.3355479453699036 eV minimum distance = 2.55254084967264 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.15995499438600225 Energy: 0.18152656367566491 Energy: 0.08365584233905088 Energy: 0.18152656367566491 Energy: 0.15995499438600225 Energy: 0.18152656367553635 Energy: 0.3149460383481648 Energy: 0.08529904698428062 Energy: 0.3149460383477309 Energy: 0.08529904698215926 Energy: 0.3149460383481648 Energy: 0.08529904698315566 Energy: 0.3397647111286138 Energy: 0.08393282563212412 Energy: 0.33976471112817985 Energy: 0.08393282563212412 Energy: 0.33976471112817985 Energy: 0.08393282563212412 Energy: 0.08365584233905088 Energy: 0.18152656367595418 Energy: 0.08365584233919553 Energy: 0.18152656367595418 Energy: 0.08365584233919553 Energy: 0.18152656367595418 Energy: 0.3149460383481648 Energy: 0.08529904701354564 Energy: 0.3149460383477309 Energy: 0.0852990470211793 Energy: 0.314946038348438 Energy: 0.08529904701608483 Energy: 0.3397647111284691 Energy: 0.08393282563197949 Energy: 0.3397647111283245 Energy: 0.08393282563197949 Energy: 0.3397647111284691 Energy: 0.08393282563197949 Energy: 0.15995499438629152 Energy: 0.18152656367624348 Energy: 0.08365584233934016 Energy: 0.18152656367609885 Energy: 0.15995499438629152 Energy: 0.18152656367609885 Energy: 0.3149460383481648 Energy: 0.08529904704083394 Energy: 0.31494603834802015 Energy: 0.08529904704281065 Energy: 0.31494603834802015 Energy: 0.0852990470406893 Energy: 0.3397647111280513 Energy: 0.08393282563212412 Energy: 0.33976471112817985 Energy: 0.08393282563239732 Energy: 0.3397647111279067 Energy: 0.08393282563212412 Energy: 0.08365584233905088 Energy: 0.18152656367609885 Energy: 0.08365584233905088 Energy: 0.18152656367609885 Energy: 0.08365584233919553 Energy: 0.18152656367595418 minimum gb energy = 0.08365584233905088 eV minimum distance = 2.78988266686087 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.44852262496951145 Energy: 0.39089563004671557 Energy: 0.44852262496824186 Energy: 0.39089563004671557 Energy: 0.4485226249690883 Energy: 0.39089563004671557 Energy: 0.41787408359962774 Energy: 0.42518837689023364 Energy: 0.4178740836529335 Energy: 0.42518837689023364 Energy: 0.4178740837836488 Energy: 0.4251883768898104 Energy: 0.42745073110209325 Energy: 0.4263051728027493 Energy: 0.40987406849192004 Energy: 0.4263051728023261 Energy: 0.4098740684914968 Energy: 0.4263051728023261 Energy: 0.4267631409151023 Energy: 0.39943871737079123 Energy: 0.4267631409151023 Energy: 0.399438717370368 Energy: 0.4267631409155256 Energy: 0.39943871737121445 Energy: 0.38324624366649757 Energy: 0.4257765551334728 Energy: 0.38324624366649757 Energy: 0.4257765551334728 Energy: 0.38324624366607435 Energy: 0.4257765551330496 Energy: 0.4100321395153894 Energy: 0.41009776424679517 Energy: 0.4100321395153894 Energy: 0.4100977642472184 Energy: 0.41003213951581263 Energy: 0.41009776424679517 Energy: 0.4150861296769191 Energy: 0.42318995474330706 Energy: 0.4150861296764959 Energy: 0.42318995474330706 Energy: 0.4150861296764959 Energy: 0.4231899547437303 Energy: 0.3549683325126064 Energy: 0.4264540100984662 Energy: 0.3549683325130295 Energy: 0.4264540100993126 Energy: 0.3549683325126064 Energy: 0.4264540101001591 Energy: 0.41402703381081934 Energy: 0.4119999935343773 Energy: 0.4140270338112425 Energy: 0.41199999353480055 Energy: 0.4140270338112425 Energy: 0.4119999935326844 Energy: 0.4160120030576895 Energy: 0.40259251786845374 Energy: 0.41601200305811276 Energy: 0.40259251786845374 Energy: 0.4160120030576895 Energy: 0.40259251786887695 Energy: 0.36723957425984033 Energy: 0.4367955433299949 Energy: 0.36723957425984033 Energy: 0.43679554333041815 Energy: 0.36723957425984033 Energy: 0.4367955433299949 Energy: 0.42562011911135794 Energy: 0.42318276935398963 Energy: 0.4256201191058562 Energy: 0.4231827692279104 Energy: 0.4256201191054329 Energy: 0.4231827691818186 Energy: 0.4259869062498753 Energy: 0.3529598676913029 Energy: 0.4259869062507217 Energy: 0.3529598676913029 Energy: 0.4259869062507217 Energy: 0.3529598676913029 Energy: 0.4177850394483039 Energy: 0.4144721454571767 Energy: 0.4177850394483039 Energy: 0.41447214545675354 Energy: 0.4177850394483039 Energy: 0.41447214545675354 Energy: 0.41748940564190257 Energy: 0.4193678410055168 Energy: 0.41748940564190257 Energy: 0.41936784100467034 Energy: 0.41748940564190257 Energy: 0.4193678410055168 Energy: 0.42487725574058144 Energy: 0.3512648472828204 Energy: 0.42487725574058144 Energy: 0.35126484728324364 Energy: 0.42487725574058144 Energy: 0.3512648472828204 Energy: 0.4279225071098632 Energy: 0.4219950563116543 Energy: 0.4279225071098632 Energy: 0.4219950563116543 Energy: 0.4279225071094399 Energy: 0.4219950563112311 Energy: 0.424677925430626 Energy: 0.4075996974640156 Energy: 0.42467792543231886 Energy: 0.40759969746359237 Energy: 0.42467792543147237 Energy: 0.40759969746359237 Energy: 0.42447569419375714 Energy: 0.41789651492958446 Energy: 0.42447569419375714 Energy: 0.41789651492958446 Energy: 0.4244756941941611 Energy: 0.4178965149300077 Energy: 0.42320916695492233 Energy: 0.4401998327237175 Energy: 0.42320916695492233 Energy: 0.4401998327220246 Energy: 0.42320916695534555 Energy: 0.4401998327241407 Energy: 0.41052821684652957 Energy: 0.3972944168636928 Energy: 0.41052821684610635 Energy: 0.3972944168615767 Energy: 0.41052821684652957 Energy: 0.3972944168603071 Energy: 0.4282662948613608 Energy: 0.39993330229469837 Energy: 0.4282662948600912 Energy: 0.39993330229469837 Energy: 0.4282662948613608 Energy: 0.39993330229469837 Energy: 0.39712422189292174 Energy: 0.4441961651359697 Energy: 0.39712422189249846 Energy: 0.44419616514189464 Energy: 0.39712422189292174 Energy: 0.4441961651397786 Energy: 0.42513597796270375 Energy: 0.38827881457942015 Energy: 0.42513597796270375 Energy: 0.38827881457942015 Energy: 0.42513597796312697 Energy: 0.38827881457942015 Energy: 0.41404381370092463 Energy: 0.42127111928553096 Energy: 0.4140438137013479 Energy: 0.4212711192859542 Energy: 0.4140438137000783 Energy: 0.4212711192859542 Energy: 0.3838409887088523 Energy: 0.4157845039921761 Energy: 0.3838409887084291 Energy: 0.4157845039921761 Energy: 0.3838409887088523 Energy: 0.4157845039921761 Energy: 0.4438105758931045 Energy: 0.4012876911262979 Energy: 0.4438105758931045 Energy: 0.4012876911262979 Energy: 0.4438105758931045 Energy: 0.4012876911262979 Energy: 0.40734841154872425 Energy: 0.4153935248621411 Energy: 0.4073484115491475 Energy: 0.4153935248617178 Energy: 0.4073484115495514 Energy: 0.4153935248617178 Energy: 0.36892292408055516 Energy: 0.425790837269172 Energy: 0.36892292408055516 Energy: 0.42579083726409334 Energy: 0.36892292408013194 Energy: 0.4257908372687487 Energy: 0.41442877036777964 Energy: 0.41736444748884816 Energy: 0.41442877036693315 Energy: 0.41736444748884816 Energy: 0.4144287703660868 Energy: 0.41736444748884816 Energy: 0.44655511065903997 Energy: 0.42140064159593776 Energy: 0.4465551106607136 Energy: 0.42140064159593776 Energy: 0.44655511065861675 Energy: 0.4214006415955146 Energy: 0.39737834478480527 Energy: 0.41916061576307123 Energy: 0.39737834478480527 Energy: 0.419160615762648 Energy: 0.39737834478522854 Energy: 0.41916061576349445 Energy: 0.41101673022924196 Energy: 0.4248003254918516 Energy: 0.41101673022924196 Energy: 0.4248003254918516 Energy: 0.41101673022924196 Energy: 0.4248003254918516 minimum gb energy = 0.3512648472828204 eV minimum distance = 2.65205060474573 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.5208517738743416 Energy: 0.4613241559087437 Energy: 0.5208517738791657 Energy: 0.4613241559093468 Energy: 0.5208517739002719 Energy: 0.4613241559093468 Energy: 0.4598162684422726 Energy: 0.48638902567857256 Energy: 0.45981626844287554 Energy: 0.4863890256821907 Energy: 0.4598162684422726 Energy: 0.4863890256875906 Energy: 0.4811532992328674 Energy: 0.48592206364575086 Energy: 0.48115329923226435 Energy: 0.48592206364575086 Energy: 0.48115329923226435 Energy: 0.48592206364575086 Energy: 0.49047652233726463 Energy: 0.4548328178502472 Energy: 0.4904765223378677 Energy: 0.4548328178502472 Energy: 0.49047652233726463 Energy: 0.4548328178502472 Energy: 0.44765478980229395 Energy: 0.4882027604683147 Energy: 0.44765478980229395 Energy: 0.4882027604683147 Energy: 0.44765478980229395 Energy: 0.4882027604683147 Energy: 0.4940976599346993 Energy: 0.4862921948822874 Energy: 0.4940976599346993 Energy: 0.4862921948822874 Energy: 0.4940976599346993 Energy: 0.4862921948822874 Energy: 0.48088411284980054 Energy: 0.49025107748631197 Energy: 0.48088411284919746 Energy: 0.49025107748631197 Energy: 0.48088411284919746 Energy: 0.49025107748631197 Energy: 0.46994220773327006 Energy: 0.4877576297834783 Energy: 0.469942207733873 Energy: 0.4877576297834783 Energy: 0.469942207733873 Energy: 0.4877576297834783 Energy: 0.4940682404332708 Energy: 0.49316526610594136 Energy: 0.4940682404332708 Energy: 0.4931652661053383 Energy: 0.4940682404332708 Energy: 0.49316526610594136 Energy: 0.47722982985528273 Energy: 0.4210898336504248 Energy: 0.4772298298546797 Energy: 0.4210898336504248 Energy: 0.47722982985528273 Energy: 0.4210898336510277 Energy: 0.4944820637834463 Energy: 0.48201407360262205 Energy: 0.49448206378404924 Energy: 0.48201407360262205 Energy: 0.49448206378404924 Energy: 0.48201407360262205 Energy: 0.47719713462218827 Energy: 0.4765316243354211 Energy: 0.47719713462218827 Energy: 0.4765316243354211 Energy: 0.47719713462218827 Energy: 0.47653162433602414 Energy: 0.47712292509163984 Energy: 0.4801528760053479 Energy: 0.47712292509224286 Energy: 0.4801528760053479 Energy: 0.47712292509163984 Energy: 0.4801528760053479 Energy: 0.48589533036277605 Energy: 0.4968714354133883 Energy: 0.4858953303633791 Energy: 0.49687143539228223 Energy: 0.48589533036277605 Energy: 0.4968714353892671 Energy: 0.4606123760244767 Energy: 0.45719896773190155 Energy: 0.46061237602507965 Energy: 0.4571989677240621 Energy: 0.4606123760244767 Energy: 0.4571989677240621 Energy: 0.4920047021560744 Energy: 0.47581331681330286 Energy: 0.4920047021560744 Energy: 0.47581331681390593 Energy: 0.4920047021560744 Energy: 0.47581331681390593 Energy: 0.4553414590501304 Energy: 0.5003044345372684 Energy: 0.4553414590501304 Energy: 0.5003044345378714 Energy: 0.4553414590501304 Energy: 0.5003044345378714 Energy: 0.4754940260067776 Energy: 0.4487809205578237 Energy: 0.4754940260061745 Energy: 0.4487809205572207 Energy: 0.4754940260061745 Energy: 0.4487809205578237 Energy: 0.4845707637154856 Energy: 0.4933755834719204 Energy: 0.4845707637154856 Energy: 0.4933755834719204 Energy: 0.4845707637154856 Energy: 0.4933755834719204 Energy: 0.4954242378480823 Energy: 0.4980866599795066 Energy: 0.4954242378480823 Energy: 0.4980866599795066 Energy: 0.4954242378480823 Energy: 0.4980866599795066 Energy: 0.5168368194630666 Energy: 0.4502996475941517 Energy: 0.5168368194630666 Energy: 0.4502996475941517 Energy: 0.5168368194654788 Energy: 0.4502996475941517 Energy: 0.4951048989881808 Energy: 0.5151611905501704 Energy: 0.4951048989881808 Energy: 0.5151611905501704 Energy: 0.4951048989881808 Energy: 0.5151611905501704 Energy: 0.4291654547722025 Energy: 0.4969802940261727 Energy: 0.4291654547728056 Energy: 0.4969802940267758 Energy: 0.4291654547728056 Energy: 0.4969802940261727 minimum gb energy = 0.4210898336504248 eV minimum distance = 2.59277966437435 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5524275010494691 Energy: 0.48173444007906907 Energy: 0.5524275010494691 Energy: 0.48173444007906907 Energy: 0.5524275010498517 Energy: 0.48173444007906907 Energy: 0.49490469940682036 Energy: 0.5188865541507864 Energy: 0.49490469940720294 Energy: 0.5188865541507864 Energy: 0.4949046994075855 Energy: 0.5188865541507864 Energy: 0.5268681932051503 Energy: 0.5184020185476369 Energy: 0.5268681932051503 Energy: 0.5184020185480195 Energy: 0.5268681932051503 Energy: 0.5184020185480195 Energy: 0.5284653447271314 Energy: 0.48766146321750864 Energy: 0.5284653447275139 Energy: 0.48766146321750864 Energy: 0.5284653447267488 Energy: 0.48766146321712606 Energy: 0.4927506695415528 Energy: 0.5340650044469244 Energy: 0.4927506695419353 Energy: 0.5340650044469244 Energy: 0.4927506695419353 Energy: 0.5340650044469244 Energy: 0.5551217797899969 Energy: 0.5339399329127843 Energy: 0.5551217797899969 Energy: 0.544692466238063 Energy: 0.5551217797896142 Energy: 0.5466245485042992 Energy: 0.5281435324163998 Energy: 0.5375835209116484 Energy: 0.5281435324163998 Energy: 0.5375835209116484 Energy: 0.5281435324163998 Energy: 0.5375835209116484 Energy: 0.5164633917976804 Energy: 0.5239131028844004 Energy: 0.5164633917976804 Energy: 0.5239131028840178 Energy: 0.5164633917972977 Energy: 0.5239131028844004 Energy: 0.513550150557354 Energy: 0.5326209768590567 Energy: 0.513550150557354 Energy: 0.5326209768590567 Energy: 0.5135501505569713 Energy: 0.5326209768594392 Energy: 0.5519520001727842 Energy: 0.537888471737241 Energy: 0.5519520001716366 Energy: 0.5496112076501316 Energy: 0.5519520001720192 Energy: 0.5361628864277725 Energy: 0.5271819276387647 Energy: 0.5279331674055822 Energy: 0.5271819276383821 Energy: 0.5279331677084239 Energy: 0.5271819276387647 Energy: 0.5279331670067544 Energy: 0.4932101957329438 Energy: 0.4967016206955522 Energy: 0.49321019573256114 Energy: 0.4967016206951697 Energy: 0.4932101957329438 Energy: 0.4967016206955522 Energy: 0.5254794244125283 Energy: 0.5005278672960844 Energy: 0.5254794244129108 Energy: 0.5005278672960844 Energy: 0.5254794244125283 Energy: 0.5005278672960844 Energy: 0.5085099383109435 Energy: 0.5097543388600997 Energy: 0.5085099383109435 Energy: 0.5097543388600997 Energy: 0.5085099383105609 Energy: 0.5097543388597171 Energy: 0.5053001346156062 Energy: 0.49765310089647946 Energy: 0.5053001346156062 Energy: 0.497653100896862 Energy: 0.5053001346156062 Energy: 0.49765310089724446 Energy: 0.5285864322537006 Energy: 0.5272998721678335 Energy: 0.5285864322537006 Energy: 0.527299872168216 Energy: 0.5285864322537006 Energy: 0.527299872168216 Energy: 0.48739308604954057 Energy: 0.5280597996536431 Energy: 0.4873930860480103 Energy: 0.5280597996536431 Energy: 0.48739308604954057 Energy: 0.5280597996536431 Energy: 0.5436503975357075 Energy: 0.5423408707531877 Energy: 0.5436503975353251 Energy: 0.5423408707528051 Energy: 0.5436503975353251 Energy: 0.5423408707524574 Energy: 0.4955850228372942 Energy: 0.5444825114076435 Energy: 0.4955850228495359 Energy: 0.5444825114076435 Energy: 0.4955850228384419 Energy: 0.5444825114076435 Energy: 0.5381031226246736 Energy: 0.5189679753705964 Energy: 0.5381031226246736 Energy: 0.5189679753705964 Energy: 0.5381031226242909 Energy: 0.5189679753705964 Energy: 0.520915892441698 Energy: 0.5261136354651764 Energy: 0.520915892441698 Energy: 0.5261136354651764 Energy: 0.5209158924420806 Energy: 0.5261136354651764 Energy: 0.515649007037548 Energy: 0.4864930143420533 Energy: 0.5156490070383131 Energy: 0.4864930143420533 Energy: 0.5156490070383131 Energy: 0.4864930143420533 Energy: 0.4842195621079978 Energy: 0.5284832540733558 Energy: 0.4842195621072327 Energy: 0.5284832540775639 Energy: 0.48421956210761524 Energy: 0.5284832540714431 Energy: 0.5385662902306017 Energy: 0.4919106715539853 Energy: 0.5385662902298365 Energy: 0.4919106715539853 Energy: 0.5385662902298365 Energy: 0.4919106715539853 Energy: 0.5208379793582832 Energy: 0.49869002311631905 Energy: 0.5208379793579009 Energy: 0.4986900231159364 Energy: 0.5208379793579009 Energy: 0.49869002311631905 Energy: 0.48431478451430027 Energy: 0.538479811090431 Energy: 0.48431478451430027 Energy: 0.538479811090431 Energy: 0.4843147845139178 Energy: 0.5384798110900484 Energy: 0.5290572889706205 Energy: 0.4879078584334968 Energy: 0.529057288970238 Energy: 0.4879078584331143 Energy: 0.5290572889710031 Energy: 0.4879078584331143 Energy: 0.5408003791854824 Energy: 0.5518497187313615 Energy: 0.5408003791866302 Energy: 0.5518497187313615 Energy: 0.5408003791843348 Energy: 0.551849718731744 Energy: 0.5409809116560803 Energy: 0.5344185153711388 Energy: 0.5409809116652615 Energy: 0.5344185153703735 Energy: 0.5409809116732952 Energy: 0.5344185153707561 Energy: 0.498170053011492 Energy: 0.5121412082908323 Energy: 0.4981700530198733 Energy: 0.5121412082904497 Energy: 0.4981700530198733 Energy: 0.5121412082900673 Energy: 0.5548594323165064 Energy: 0.5425272389514516 Energy: 0.5548594323168887 Energy: 0.5425272389514516 Energy: 0.5548594323172714 Energy: 0.5425272389514516 Energy: 0.5250993497637685 Energy: 0.5194429786567651 Energy: 0.5250993497649161 Energy: 0.5194429786571476 Energy: 0.5250993497618558 Energy: 0.5194429786575303 Energy: 0.5249791311405433 Energy: 0.5262216075834759 Energy: 0.5249791311409259 Energy: 0.5262216075819458 Energy: 0.5249791311409259 Energy: 0.5262216075853887 Energy: 0.5058788649354741 Energy: 0.5187105054963802 Energy: 0.5058788649358564 Energy: 0.5187105054963802 Energy: 0.5058788649354741 Energy: 0.5187105054963802 Energy: 0.4918490943156648 Energy: 0.5184773823612686 Energy: 0.49184909431604734 Energy: 0.5184773823612686 Energy: 0.49184909431604734 Energy: 0.5184773823612686 Energy: 0.5434629087074694 Energy: 0.5019688105484668 Energy: 0.5434629087086171 Energy: 0.5019688105484668 Energy: 0.5434629087082344 Energy: 0.5019688105484668 Energy: 0.4916211503665832 Energy: 0.4972357849791158 Energy: 0.49162115036696574 Energy: 0.4972357849791158 Energy: 0.49162115036696574 Energy: 0.4972357849787332 minimum gb energy = 0.48173444007906907 eV minimum distance = 2.63696202871642 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5882147783922643 Energy: 0.5392899799570126 Energy: 0.5882147783922643 Energy: 0.5392899799570126 Energy: 0.5882147783922643 Energy: 0.5392899799570126 Energy: 0.5419689535720011 Energy: 0.5663555631870512 Energy: 0.5419689535720011 Energy: 0.5663555631870512 Energy: 0.5419689535709566 Energy: 0.5663555631870512 Energy: 0.6138862736945894 Energy: 0.5660982312306021 Energy: 0.6166141783376808 Energy: 0.5660982312306021 Energy: 0.5980572078158584 Energy: 0.5660982312306021 Energy: 0.5861606945093553 Energy: 0.5989164051546526 Energy: 0.5861606945083108 Energy: 0.5989164051546526 Energy: 0.5861606945093553 Energy: 0.5989164051546526 Energy: 0.596493088310008 Energy: 0.5719651240477255 Energy: 0.5964930883110524 Energy: 0.5719651240477255 Energy: 0.596493088312097 Energy: 0.5719651240477255 Energy: 0.5953464051180869 Energy: 0.5799131889598669 Energy: 0.5953464051201759 Energy: 0.5799131889598669 Energy: 0.5953464051191314 Energy: 0.5799131889598669 Energy: 0.5789875341663367 Energy: 0.5961013984263851 Energy: 0.5789875341673811 Energy: 0.5961013984263851 Energy: 0.5789875341673811 Energy: 0.5961013984263851 Energy: 0.5620388962821385 Energy: 0.5652619183435412 Energy: 0.5620388962821385 Energy: 0.5652619183435412 Energy: 0.562038896281094 Energy: 0.5652619183435412 Energy: 0.5445579758379285 Energy: 0.5373324042741099 Energy: 0.5445579758379285 Energy: 0.5373324042741099 Energy: 0.5445579758379285 Energy: 0.5373324042741099 Energy: 0.5803084182466351 Energy: 0.5508023188566437 Energy: 0.5803084182466351 Energy: 0.5508023188566437 Energy: 0.5803084182476796 Energy: 0.5508023188566437 Energy: 0.5435923182253414 Energy: 0.5663556859437094 Energy: 0.5435923182253414 Energy: 0.5663556859437094 Energy: 0.5435923182253414 Energy: 0.5663556859437094 Energy: 0.566806033060538 Energy: 0.5661071424113466 Energy: 0.566806033060538 Energy: 0.5661071424113466 Energy: 0.566806033060538 Energy: 0.5661071424113466 Energy: 0.5909001725199089 Energy: 0.5611175326618821 Energy: 0.5909001725199089 Energy: 0.5611175326618821 Energy: 0.5909001725199089 Energy: 0.5611175326618821 Energy: 0.5983430188253277 Energy: 0.574321349763735 Energy: 0.5983430188263722 Energy: 0.574321349763735 Energy: 0.5983430188253277 Energy: 0.574321349763735 minimum gb energy = 0.5373324042741099 eV minimum distance = 2.51559121688287 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.6020183889012645 Energy: 0.5922682634834736 Energy: 0.6020183889012645 Energy: 0.592268263488062 Energy: 0.6020183889012645 Energy: 0.5922682634715437 Energy: 0.5537284433537082 Energy: 0.5829890106685333 Energy: 0.5537284433537082 Energy: 0.5829890106703686 Energy: 0.5537284433537082 Energy: 0.5829890106699098 Energy: 0.6172315625935129 Energy: 0.5759374736109203 Energy: 0.602104376472918 Energy: 0.5759374736109203 Energy: 0.6172315625935129 Energy: 0.5759374736109203 Energy: 0.5802401323459913 Energy: 0.5608698155169073 Energy: 0.5802401323469089 Energy: 0.5608698155164484 Energy: 0.5802401323459913 Energy: 0.560869815517825 Energy: 0.6171942626342761 Energy: 0.5819808292088319 Energy: 0.6171942626338173 Energy: 0.5819808292088319 Energy: 0.6171942626342761 Energy: 0.5819808292088319 Energy: 0.5917812595162906 Energy: 0.6017345795138789 Energy: 0.5917812595162906 Energy: 0.6017345795138789 Energy: 0.5917812595162906 Energy: 0.6017345795129612 Energy: 0.5838164945667454 Energy: 0.569908989939216 Energy: 0.583816494573628 Energy: 0.569908989939216 Energy: 0.5838164945713338 Energy: 0.569908989939216 Energy: 0.5658274128638897 Energy: 0.583723835777837 Energy: 0.5658274128638897 Energy: 0.583723835777837 Energy: 0.5658274128643485 Energy: 0.583723835777837 Energy: 0.5723356166536198 Energy: 0.5966745814026915 Energy: 0.5723356166531608 Energy: 0.5966745814022325 Energy: 0.5723356166540785 Energy: 0.5966745814022325 Energy: 0.5793075201225639 Energy: 0.5785676007664574 Energy: 0.5793075201225639 Energy: 0.5785676007664574 Energy: 0.5793075201225639 Energy: 0.5785676007664574 Energy: 0.5718831794767623 Energy: 0.587642560112278 Energy: 0.5718831794772211 Energy: 0.5876425601141134 Energy: 0.5718831794776799 Energy: 0.5876425601145722 Energy: 0.5956848756072691 Energy: 0.6030815988622064 Energy: 0.5956848756072691 Energy: 0.6030815988626443 Energy: 0.5956848756072691 Energy: 0.6030815988626443 Energy: 0.5755818121657252 Energy: 0.5674357336680964 Energy: 0.575581812166184 Energy: 0.5674357336685553 Energy: 0.5755818121657252 Energy: 0.5674357336685553 Energy: 0.6013984139566649 Energy: 0.5868705475776953 Energy: 0.6013984139562062 Energy: 0.5868705475763187 Energy: 0.6013984139562062 Energy: 0.586870547578613 Energy: 0.5656220692724322 Energy: 0.5743475147820761 Energy: 0.5649569714228435 Energy: 0.5743475147820761 Energy: 0.5649569714228435 Energy: 0.5743475147834527 Energy: 0.583195718652711 Energy: 0.6120526921943704 Energy: 0.583195718652711 Energy: 0.6120526921943704 Energy: 0.583195718652711 Energy: 0.6120526921948292 Energy: 0.5701687900550059 Energy: 0.5828966106917209 Energy: 0.5701687900559236 Energy: 0.5828966106921797 Energy: 0.5701687900559236 Energy: 0.5828966106917209 Energy: 0.5830587452658031 Energy: 0.5860158522141052 Energy: 0.5830587452667209 Energy: 0.5860158522136465 Energy: 0.583058745266262 Energy: 0.5860158522136465 Energy: 0.5837869824761348 Energy: 0.5532694637811464 Energy: 0.5837869824756761 Energy: 0.5532694637848171 Energy: 0.5837869824761348 Energy: 0.5532694637866524 Energy: 0.6107204370429133 Energy: 0.5791646123989465 Energy: 0.6107204370429133 Energy: 0.5791646123989465 Energy: 0.6107204370429133 Energy: 0.5791646124049112 Energy: 0.5608123354016531 Energy: 0.5651746480676457 Energy: 0.560812335402112 Energy: 0.565174648067187 Energy: 0.5608123354025707 Energy: 0.5651746480676457 Energy: 0.5978545200699671 Energy: 0.5887363144806131 Energy: 0.5978545200699671 Energy: 0.5887363144801544 Energy: 0.5978545200704258 Energy: 0.5887363144806131 Energy: 0.5580197449577956 Energy: 0.5722212151453272 Energy: 0.5580197449577956 Energy: 0.5722212151457859 Energy: 0.5580197449573367 Energy: 0.5722212151453272 Energy: 0.5835319307914629 Energy: 0.5823830697983221 Energy: 0.5835319307919217 Energy: 0.5823830698001574 Energy: 0.5835319307914629 Energy: 0.5823830698001574 Energy: 0.5858694322776059 Energy: 0.6052750465940466 Energy: 0.5858694322776059 Energy: 0.6052750465945056 Energy: 0.5858694322776059 Energy: 0.6052750465940466 Energy: 0.5656702152544861 Energy: 0.5786228479170703 Energy: 0.5656702152549449 Energy: 0.5786228479120232 Energy: 0.5656702152549449 Energy: 0.5786228479179881 Energy: 0.5897405291936566 Energy: 0.5927755784621298 Energy: 0.5897405291936566 Energy: 0.5927755784616708 Energy: 0.5897405291931977 Energy: 0.5927755784616708 Energy: 0.5797467153625392 Energy: 0.5565261061831414 Energy: 0.5797467153625392 Energy: 0.5565261061836002 Energy: 0.5797467153625392 Energy: 0.5565261061831414 Energy: 0.5760939746907512 Energy: 0.5889110670645981 Energy: 0.5760939746907512 Energy: 0.5889110670655157 Energy: 0.5760939746907512 Energy: 0.5889110670650569 Energy: 0.5655045595747347 Energy: 0.5531971562982465 Energy: 0.5655045595747347 Energy: 0.5531971562973288 Energy: 0.5655045595751936 Energy: 0.5531971562987054 Energy: 0.5794582881628558 Energy: 0.6038754678838223 Energy: 0.5794582881628558 Energy: 0.6038754678833634 Energy: 0.5794582881628558 Energy: 0.6038754678838223 minimum gb energy = 0.5531971562973288 eV minimum distance = 2.51067863409992 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5184206453007574 Energy: 0.5074907961255761 Energy: 0.518420645301574 Energy: 0.5074907961255761 Energy: 0.518420645301574 Energy: 0.5074907961255761 Energy: 0.5878911539965945 Energy: 0.5769667428411108 Energy: 0.5878911539957781 Energy: 0.5769667428411108 Energy: 0.5878911539957781 Energy: 0.5769667428411108 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5129911908979927 Energy: 0.5245726501354325 Energy: 0.5129911908979927 Energy: 0.6135554828610548 Energy: 0.5129911908979927 Energy: 0.5245726501354325 Energy: 0.5476473391005768 Energy: 0.5329060053088708 Energy: 0.5476473391005768 Energy: 0.5329060053088708 Energy: 0.5476473391005768 Energy: 0.5329060053088708 Energy: 0.5878476469696338 Energy: 0.5653042258101159 Energy: 0.5878476469696338 Energy: 0.5634446190370613 Energy: 0.5878476469696338 Energy: 0.5169249798950943 Energy: 0.518420645301574 Energy: 0.5074907961263926 Energy: 0.518420645301574 Energy: 0.5074907961255761 Energy: 0.5184206453007574 Energy: 0.5074907961263926 Energy: 0.5878911539965945 Energy: 0.5769667428411108 Energy: 0.5878911539965945 Energy: 0.5769667428411108 Energy: 0.5878911539965945 Energy: 0.5769667428411108 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5461525275199138 Energy: 0.5328999942201621 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5129911908988093 Energy: 0.5103351491392023 Energy: 0.5129911908988093 Energy: 0.5103351491400188 Energy: 0.5129911908979927 Energy: 0.5103351491400188 Energy: 0.5476473391005768 Energy: 0.5329060053080542 Energy: 0.5476473391005768 Energy: 0.5329060053080542 Energy: 0.5476473391005768 Energy: 0.5329060053080542 Energy: 0.5878476469704502 Energy: 0.5169249798959109 Energy: 0.5878476469704502 Energy: 0.5169249798950943 Energy: 0.5878476469704502 Energy: 0.5169249798959109 Energy: 0.5184206453007574 Energy: 0.5074907961255761 Energy: 0.5184206453007574 Energy: 0.5074907961255761 Energy: 0.5184206453007574 Energy: 0.5074907961255761 Energy: 0.5878911539957781 Energy: 0.5769667428411108 Energy: 0.5878911539965945 Energy: 0.5769667428411108 Energy: 0.5878911539957781 Energy: 0.5769667428402944 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5461525275190973 Energy: 0.5328999942193456 Energy: 0.5129911908979927 Energy: 0.5103351491400188 Energy: 0.5129911908988093 Energy: 0.5103351491392023 Energy: 0.5129911908979927 Energy: 0.5103351491392023 Energy: 0.5476473391005768 Energy: 0.5329060053088708 Energy: 0.5476473391005768 Energy: 0.5329060053088708 Energy: 0.5476473391005768 Energy: 0.5329060053088708 minimum gb energy = 0.5074907961255761 eV minimum distance = 2.58668027580652 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5833392038573306 Energy: 0.548695040595476 Energy: 0.5833392038573306 Energy: 0.548695040595476 Energy: 0.5833392038579973 Energy: 0.548695040595476 Energy: 0.5693871406716438 Energy: 0.5711247511641608 Energy: 0.5693871406716438 Energy: 0.5711247511641608 Energy: 0.5693871406723103 Energy: 0.5711247511641608 Energy: 0.5734087171582973 Energy: 0.5641259239024263 Energy: 0.6245786738473338 Energy: 0.5641259239024263 Energy: 0.6245786738540007 Energy: 0.5641259239030929 Energy: 0.5630614265602459 Energy: 0.5971359249148199 Energy: 0.5630614265595792 Energy: 0.5971359249148199 Energy: 0.5630614265595792 Energy: 0.5971359249154866 Energy: 0.5617947890990798 Energy: 0.5702577565962856 Energy: 0.5617947890997463 Energy: 0.5702577565949523 Energy: 0.5617947891010798 Energy: 0.5702577565949523 Energy: 0.5650504281381123 Energy: 0.5714360431612158 Energy: 0.5650504281381123 Energy: 0.5714360431612158 Energy: 0.5650504281381123 Energy: 0.5714360431618823 Energy: 0.56257180005595 Energy: 0.5983654331249643 Energy: 0.56257180005595 Energy: 0.5983654331256308 Energy: 0.56257180005595 Energy: 0.5983654331249643 Energy: 0.5611131630401928 Energy: 0.5816073446131745 Energy: 0.5611131630395262 Energy: 0.5816073446138412 Energy: 0.5611131630388595 Energy: 0.5816073446131745 Energy: 0.6313871167463175 Energy: 0.5810160410636006 Energy: 0.6313871167456508 Energy: 0.5810160410609339 Energy: 0.6313871167469842 Energy: 0.5810160410589339 Energy: 0.5633478761123306 Energy: 0.572276926096907 Energy: 0.5633478761129973 Energy: 0.572276926096907 Energy: 0.5633478761123306 Energy: 0.572276926096907 Energy: 0.5517934805913729 Energy: 0.5714517525149413 Energy: 0.551793480593373 Energy: 0.5714517525149413 Energy: 0.551793480593373 Energy: 0.571451752515608 Energy: 0.595188083183526 Energy: 0.5775618111655137 Energy: 0.595188083183526 Energy: 0.5775618111655137 Energy: 0.595188083183526 Energy: 0.5775618111655137 Energy: 0.5707558537254999 Energy: 0.637358569027427 Energy: 0.5707558537268332 Energy: 0.6373585684763278 Energy: 0.5707558537254999 Energy: 0.6373585689914264 Energy: 0.5635246916546245 Energy: 0.5685706016458042 Energy: 0.5635246916539578 Energy: 0.5685706016458042 Energy: 0.5635246916546245 Energy: 0.5685706016451375 Energy: 0.5917130660241445 Energy: 0.5694655852560774 Energy: 0.5917130660241445 Energy: 0.5694655852560774 Energy: 0.5917130660241445 Energy: 0.5694655852560774 Energy: 0.585768570096876 Energy: 0.5662438526386812 Energy: 0.585768570096876 Energy: 0.566243852639348 Energy: 0.585768570096876 Energy: 0.566243852639348 Energy: 0.5785720729225501 Energy: 0.5668438779131995 Energy: 0.5785720729218833 Energy: 0.5668438779131995 Energy: 0.5785720729225501 Energy: 0.5668438779131995 Energy: 0.6129329218286379 Energy: 0.5752377299397524 Energy: 0.6129329218293046 Energy: 0.5752377299390857 Energy: 0.6129329218293046 Energy: 0.5752377299397524 Energy: 0.5573673099899613 Energy: 0.5715460355480908 Energy: 0.5573673099906279 Energy: 0.5715460355474241 Energy: 0.5573673099899613 Energy: 0.5715460355474241 Energy: 0.563007460356371 Energy: 0.5497040042057143 Energy: 0.5630074603557043 Energy: 0.549704004206381 Energy: 0.563007460356371 Energy: 0.549704004206381 Energy: 0.5936100194384795 Energy: 0.5761308557423166 Energy: 0.5936100194384795 Energy: 0.5761308557423166 Energy: 0.5936100194384795 Energy: 0.5761308557423166 minimum gb energy = 0.548695040595476 eV minimum distance = 2.58777918525016 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.6028341288810896 Energy: 0.6182068903940015 Energy: 0.6028341289063521 Energy: 0.6182068903940015 Energy: 0.6028341289052281 Energy: 0.6182068903940015 Energy: 0.5838596005172869 Energy: 0.5818225346471618 Energy: 0.5838596005167251 Energy: 0.5818225346471618 Energy: 0.5838596005167251 Energy: 0.5818225346471618 Energy: 0.5674340885409773 Energy: 0.5597104401878774 Energy: 0.5674340885404154 Energy: 0.5597104401878774 Energy: 0.5674340885409773 Energy: 0.5597104401884394 Energy: 0.5660499522202439 Energy: 0.5780344164235021 Energy: 0.5660499522219298 Energy: 0.578034416424064 Energy: 0.5660499522196819 Energy: 0.578034416424626 Energy: 0.5599801463189438 Energy: 0.5671338093585232 Energy: 0.5599801463200677 Energy: 0.5671338093585232 Energy: 0.5599801463195057 Energy: 0.5671338093585232 Energy: 0.5687511973092885 Energy: 0.58831008589196 Energy: 0.5687511973098506 Energy: 0.58831008589196 Energy: 0.5687511973098506 Energy: 0.58831008589196 Energy: 0.5774845399921169 Energy: 0.5805147864067797 Energy: 0.5774845399921169 Energy: 0.5805147864062178 Energy: 0.5774845399921169 Energy: 0.5805147864062178 Energy: 0.5786964666513875 Energy: 0.5641523134586994 Energy: 0.5786964666513875 Energy: 0.5641523134586994 Energy: 0.5786964666513875 Energy: 0.5641523134586994 Energy: 0.56359815299534 Energy: 0.5681060220671031 Energy: 0.563598152994778 Energy: 0.5681060220676651 Energy: 0.563598152994778 Energy: 0.5681060220676651 Energy: 0.5661119746487335 Energy: 0.5657642520952467 Energy: 0.5661119746498574 Energy: 0.5657642520946847 Energy: 0.5661119746492954 Energy: 0.5657642520941227 Energy: 0.5660070022013325 Energy: 0.5736260972415179 Energy: 0.5660070022013325 Energy: 0.5736260972403939 Energy: 0.5660070022007706 Energy: 0.5736260972432038 Energy: 0.5835360367917565 Energy: 0.5757594652869038 Energy: 0.5835360367934423 Energy: 0.5757594652874658 Energy: 0.5835360367917565 Energy: 0.5757594652869038 Energy: 0.5804495237180421 Energy: 0.5786423422327495 Energy: 0.5804495237186041 Energy: 0.5786423422327495 Energy: 0.5804495237186041 Energy: 0.5786423422327495 Energy: 0.5659454730478212 Energy: 0.5610154354865728 Energy: 0.5659454730472592 Energy: 0.5610154354865728 Energy: 0.5659454730472592 Energy: 0.5610154354871348 Energy: 0.5691893826174463 Energy: 0.5928297042605983 Energy: 0.5691893826185702 Energy: 0.5928297042611603 Energy: 0.5691893826174463 Energy: 0.5928297042605983 Energy: 0.5827947901702906 Energy: 0.5691260087064642 Energy: 0.5827947901702906 Energy: 0.5691260087064642 Energy: 0.5827947901702906 Energy: 0.5691260087064642 Energy: 0.5774184587230032 Energy: 0.5638678703858857 Energy: 0.5774184587230032 Energy: 0.5638678703858857 Energy: 0.5774184587235651 Energy: 0.5638678703858857 Energy: 0.5805074373332925 Energy: 0.5596441210175667 Energy: 0.5805074373338545 Energy: 0.5596441210170048 Energy: 0.5805074373338545 Energy: 0.5596441210170048 Energy: 0.553362866424266 Energy: 0.5600777859512001 Energy: 0.553362866424266 Energy: 0.5600777859512001 Energy: 0.553362866424266 Energy: 0.5600777859523239 Energy: 0.6028341287698726 Energy: 0.6182068903934396 Energy: 0.6028341287591953 Energy: 0.6182068903945636 Energy: 0.6028341287535758 Energy: 0.6182068903945636 Energy: 0.5838596005178489 Energy: 0.5818225346471618 Energy: 0.5838596005178489 Energy: 0.5818225346471618 Energy: 0.5838596005178489 Energy: 0.5818225346471618 Energy: 0.5674340885404154 Energy: 0.5597104401867536 Energy: 0.5674340885404154 Energy: 0.5597104401867536 Energy: 0.5674340885404154 Energy: 0.5597104401878774 Energy: 0.5660499522208059 Energy: 0.5780344164223781 Energy: 0.5660499522202439 Energy: 0.5780344164235021 Energy: 0.5660499522219298 Energy: 0.5780344164235021 Energy: 0.5599801463206296 Energy: 0.5671338093573993 Energy: 0.5599801463200677 Energy: 0.5671338093573993 Energy: 0.5599801463200677 Energy: 0.5671338093573993 Energy: 0.5687511973104125 Energy: 0.588310085893084 Energy: 0.5687511973109745 Energy: 0.588310085892522 Energy: 0.5687511973109745 Energy: 0.588310085892522 minimum gb energy = 0.553362866424266 eV minimum distance = 2.59924854358701 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5654700980295957 Energy: 0.5838295919534621 Energy: 0.5654700980295957 Energy: 0.5838295919524918 Energy: 0.5654700980295957 Energy: 0.5838295919524918 Energy: 0.5819485999840234 Energy: 0.5652506671325243 Energy: 0.5819485999840234 Energy: 0.5652506671330093 Energy: 0.5819485999845085 Energy: 0.5652506671330093 Energy: 0.5715309607256122 Energy: 0.5414265332088753 Energy: 0.6162906784841099 Energy: 0.5414265332093604 Energy: 0.5758289179833628 Energy: 0.5414265332088753 Energy: 0.5418356829873869 Energy: 0.5845715390843523 Energy: 0.5418356829864167 Energy: 0.5845715390843523 Energy: 0.5418356829869018 Energy: 0.5845715390843523 Energy: 0.5763101773386328 Energy: 0.5869031500581986 Energy: 0.5763101773386328 Energy: 0.5869031500581986 Energy: 0.5763101773381477 Energy: 0.5869031500581986 Energy: 0.5920949448024275 Energy: 0.5481701927018391 Energy: 0.5920949448029126 Energy: 0.5481701927018391 Energy: 0.5920949448029126 Energy: 0.5481701927018391 Energy: 0.5450727560895936 Energy: 0.5953594370859354 Energy: 0.5450727560891085 Energy: 0.5953594370859354 Energy: 0.5450727560895936 Energy: 0.5953594370859354 Energy: 0.5559326784619781 Energy: 0.5979223327352666 Energy: 0.5559326784629482 Energy: 0.5979223327357517 Energy: 0.5559326784634333 Energy: 0.5979223327352666 Energy: 0.6041059090115098 Energy: 0.5346423578226648 Energy: 0.6041059090115098 Energy: 0.5346423578221796 Energy: 0.6041059090115098 Energy: 0.5346423578221796 Energy: 0.5737878977251747 Energy: 0.576601673981475 Energy: 0.5737878977256597 Energy: 0.5766016739819602 Energy: 0.5737878977256597 Energy: 0.57660167398099 Energy: 0.5360667441043727 Energy: 0.6182864623912304 Energy: 0.5360667441038877 Energy: 0.6182864623912304 Energy: 0.5360667441048578 Energy: 0.6182864623917156 Energy: 0.6202373892728943 Energy: 0.5428492347550713 Energy: 0.620237389265133 Energy: 0.5428492347550713 Energy: 0.6202373892738645 Energy: 0.5428492347545861 Energy: 0.5779793689600974 Energy: 0.5639345651859435 Energy: 0.5779793689600974 Energy: 0.5639345651873987 Energy: 0.5779793689600974 Energy: 0.5639345651869136 Energy: 0.5468603849393684 Energy: 0.5856249558114978 Energy: 0.5468603849383983 Energy: 0.5856249558114978 Energy: 0.5468603849393684 Energy: 0.5856249558110127 Energy: 0.6038630399335653 Energy: 0.5450529883413202 Energy: 0.603863039932595 Energy: 0.5450529888795148 Energy: 0.6038630399321099 Energy: 0.5450529891369814 Energy: 0.5734079659438852 Energy: 0.5352090579703656 Energy: 0.5734079659463105 Energy: 0.5352090579713356 Energy: 0.5734079659453404 Energy: 0.5352090579698805 Energy: 0.5465639984709891 Energy: 0.5842475771094601 Energy: 0.5465639984705041 Energy: 0.5842475771094601 Energy: 0.5465639984714743 Energy: 0.584247577108975 Energy: 0.5785003276877259 Energy: 0.57717165559986 Energy: 0.5785003276872408 Energy: 0.5771716556042257 Energy: 0.5785003276877259 Energy: 0.577171655600345 Energy: 0.5760892457523071 Energy: 0.5474324855542589 Energy: 0.576089245751337 Energy: 0.547432485554744 Energy: 0.5760892457518221 Energy: 0.547432485554744 Energy: 0.5543451543487972 Energy: 0.583300664588663 Energy: 0.5543451543487972 Energy: 0.583300664588663 Energy: 0.5543451543497674 Energy: 0.583300664588663 Energy: 0.5476569410182912 Energy: 0.5967154786534298 Energy: 0.5476569410178062 Energy: 0.5967154786510045 Energy: 0.5476569410182912 Energy: 0.5967154786510045 Energy: 0.6050713774133054 Energy: 0.541397906613805 Energy: 0.6050713774133054 Energy: 0.541397906613805 Energy: 0.6050713774137905 Energy: 0.54139790661332 Energy: 0.5909423363384539 Energy: 0.5731580690810106 Energy: 0.590942336337969 Energy: 0.5731580690800626 Energy: 0.590942336337969 Energy: 0.5731580690805477 Energy: 0.5619424362180375 Energy: 0.5805952390297788 Energy: 0.5619424362165824 Energy: 0.5805952390302638 Energy: 0.5619424362170674 Energy: 0.5805952390302638 Energy: 0.5766184210797988 Energy: 0.5414243884487921 Energy: 0.5766184210797988 Energy: 0.5414243884424862 Energy: 0.5766184210793136 Energy: 0.5414243884599269 Energy: 0.57915363268972 Energy: 0.5561492699232712 Energy: 0.5791536326902049 Energy: 0.5561492699227861 Energy: 0.57915363268972 Energy: 0.5561492699218159 Energy: 0.5329332744136348 Energy: 0.5842804687957022 Energy: 0.53293327441412 Energy: 0.584280468795217 Energy: 0.53293327441412 Energy: 0.5842804687942469 Energy: 0.5802536441090268 Energy: 0.5580852758641144 Energy: 0.5802536441090268 Energy: 0.5580852758655694 Energy: 0.5802536441090268 Energy: 0.5580852758621739 Energy: 0.5777886040220178 Energy: 0.547605846477403 Energy: 0.5777886040234731 Energy: 0.547605846477403 Energy: 0.5777886040225029 Energy: 0.5476058464783731 minimum gb energy = 0.5329332744136348 eV minimum distance = 2.5844495042505 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.5276958455222863 Energy: 0.5845107787712699 Energy: 0.5276958455222863 Energy: 0.5845107787708435 Energy: 0.5276958455222863 Energy: 0.5845107787708435 Energy: 0.5597671353316626 Energy: 0.536847460800164 Energy: 0.5597671556008995 Energy: 0.5409730601648101 Energy: 0.5597671388892992 Energy: 0.5321448076393818 Energy: 0.5821150806597778 Energy: 0.5149402783355412 Energy: 0.5821150806597778 Energy: 0.5149402783363941 Energy: 0.5821150806597778 Energy: 0.5149402783359678 Energy: 0.5000606959721564 Energy: 0.5630384680595536 Energy: 0.5000606959721564 Energy: 0.5916959460905646 Energy: 0.50006069597173 Energy: 0.5831186673978759 Energy: 0.5386444613803313 Energy: 0.5480456199307663 Energy: 0.5386444613803313 Energy: 0.5480456199299136 Energy: 0.538644461379905 Energy: 0.54804561993034 Energy: 0.5852817426172574 Energy: 0.5097310503547557 Energy: 0.5852817426172574 Energy: 0.5097310503547557 Energy: 0.5852817426164046 Energy: 0.5097310503547557 Energy: 0.5334659602007328 Energy: 0.5536521541308979 Energy: 0.5334659601998799 Energy: 0.5536521541308979 Energy: 0.5334659601990271 Energy: 0.5536521541317507 Energy: 0.5000633943060107 Energy: 0.563938553420045 Energy: 0.5000633943068635 Energy: 0.5670422792221729 Energy: 0.5000633943064371 Energy: 0.5679018395772553 Energy: 0.5841149033863252 Energy: 0.510370592639876 Energy: 0.5841149033867516 Energy: 0.5103705926394496 Energy: 0.5841149033867516 Energy: 0.5103705926403025 Energy: 0.5335941544796189 Energy: 0.5571022370277926 Energy: 0.5335941544800453 Energy: 0.5913778423977644 Energy: 0.5335941544796189 Energy: 0.5647336593358783 Energy: 0.49890718643985865 Energy: 0.6207144779134742 Energy: 0.49890718643985865 Energy: 0.6207144779134742 Energy: 0.49890718643985865 Energy: 0.6207144779134742 Energy: 0.5690335302342193 Energy: 0.5299723553932666 Energy: 0.5690335302346458 Energy: 0.5368621774200375 Energy: 0.5690335302337929 Energy: 0.5239518556809233 Energy: 0.5714269269926212 Energy: 0.5150476798253055 Energy: 0.5714269269926212 Energy: 0.5150476796718763 Energy: 0.5714269269921948 Energy: 0.515047679602837 Energy: 0.5303960663866234 Energy: 0.5767625137402339 Energy: 0.5303960663866234 Energy: 0.5767625137402339 Energy: 0.5303960663866234 Energy: 0.5767625137406605 Energy: 0.5612583944491518 Energy: 0.5482349860389764 Energy: 0.5612583944534159 Energy: 0.5482349860389764 Energy: 0.5612583944602191 Energy: 0.5482349860389764 Energy: 0.5832225390754063 Energy: 0.5162584431862257 Energy: 0.58322253907498 Energy: 0.5162584431862257 Energy: 0.5832225390741272 Energy: 0.5162584431866523 Energy: 0.4994337714558559 Energy: 0.5614854020156621 Energy: 0.49943377145542944 Energy: 0.5614854020156621 Energy: 0.4994337714558559 Energy: 0.5614854020156621 Energy: 0.49697023166376525 Energy: 0.5795893104234381 Energy: 0.49697023166376525 Energy: 0.5795893104238645 Energy: 0.4969702316641917 Energy: 0.579589310426423 Energy: 0.585080385049545 Energy: 0.5104464075588268 Energy: 0.5850803850521034 Energy: 0.510446407557974 Energy: 0.5850803850499714 Energy: 0.5104464075592532 Energy: 0.533749189702677 Energy: 0.5535656674979406 Energy: 0.5337491897031034 Energy: 0.5535656674979406 Energy: 0.533749189702677 Energy: 0.5535656674983671 Energy: 0.505898186369516 Energy: 0.6106853519027265 Energy: 0.5058981863703689 Energy: 0.6106853519027265 Energy: 0.5058981863699424 Energy: 0.6106853519023002 Energy: 0.5745725938225474 Energy: 0.5098302911477406 Energy: 0.5745725938225474 Energy: 0.5098302911477406 Energy: 0.5745725938225474 Energy: 0.509830291148167 Energy: 0.5741895928996386 Energy: 0.5073597016101598 Energy: 0.5741895928992121 Energy: 0.5073597016097334 Energy: 0.5741895928992121 Energy: 0.5073597016097334 Energy: 0.5000313059370756 Energy: 0.586955795100478 Energy: 0.500031305937502 Energy: 0.5869557950996251 Energy: 0.500031305937502 Energy: 0.5869557951000517 Energy: 0.5693042603750933 Energy: 0.5460684166281319 Energy: 0.5693042603763725 Energy: 0.5460684166281319 Energy: 0.5693042603763725 Energy: 0.5460684166277054 Energy: 0.5749125575438996 Energy: 0.5162633490569792 Energy: 0.5749125575438996 Energy: 0.5162633490578319 Energy: 0.5749125575438996 Energy: 0.5162633490574056 Energy: 0.5278863065342184 Energy: 0.5641378715108315 Energy: 0.5278863065350712 Energy: 0.5641378715108315 Energy: 0.5278863065350712 Energy: 0.5641378715108315 Energy: 0.5297375109501901 Energy: 0.5755641353832568 Energy: 0.529737726443283 Energy: 0.5755641353828304 Energy: 0.5297404210963075 Energy: 0.5755641353828304 Energy: 0.5868375614467374 Energy: 0.5147905151500863 Energy: 0.586837561446311 Energy: 0.5147905151500863 Energy: 0.5868375614471638 Energy: 0.5147905151500863 Energy: 0.4975997761873415 Energy: 0.5625993563557053 Energy: 0.4975997645801334 Energy: 0.5625993563557053 Energy: 0.49759975190907646 Energy: 0.5625993563552789 Energy: 0.4993457785671709 Energy: 0.5698871428283452 Energy: 0.4993457785667445 Energy: 0.5698871428279187 Energy: 0.4993457785671709 Energy: 0.5698871428283452 Energy: 0.5745737394130358 Energy: 0.5098484732684606 Energy: 0.5745737394126095 Energy: 0.5098484732688869 Energy: 0.5745737394126095 Energy: 0.5098484732684606 Energy: 0.5709443546882983 Energy: 0.5073224947726874 Energy: 0.5709443546878719 Energy: 0.5073224947735402 Energy: 0.5709443546882983 Energy: 0.5073224947731138 minimum gb energy = 0.49697023166376525 eV minimum distance = 2.59929719875216 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011733830893736358 Energy: 0.3926119508428232 Energy: 0.011733830893736358 Energy: 0.39261195084315775 Energy: 0.011733830893736358 Energy: 0.39261195084315775 Energy: 0.013071489906458482 Energy: 0.17518083569318624 Energy: 0.013071489906458482 Energy: 0.17518083569318624 Energy: 0.013071489906104192 Energy: 0.1751808356935405 Energy: 0.9499458408156767 Energy: 0.17555560691972746 Energy: 0.3931105906424925 Energy: 0.17555607968065384 Energy: 0.3930919994203239 Energy: 0.17555639073673018 Energy: 0.013071489906458482 Energy: 0.1751808356935405 Energy: 0.013071489906458482 Energy: 0.1751808356935405 Energy: 0.013071489906458482 Energy: 0.1751808356935405 minimum gb energy = 0.011733830893736358 eV minimum distance = 2.83530824446066 Angstroms sigma value = 1