Model name: model_name=EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.614999994635582 cohesive_energy=3.5402781770682505 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=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: -2.00930524461851e-07 eV ======================================== theta = 0.0 ======================================== Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.7711182547778996 Energy: 0.8032128214790075 Energy: 0.7711182547778996 Energy: 0.803212821477788 Energy: 0.7711182547778996 Energy: 0.803212821473502 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.7711182547778996 Energy: 0.8032128214759413 Energy: 0.7711182547778996 Energy: 0.8032128214750353 Energy: 0.7711182547778996 Energy: 0.8032128214741294 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.013693119235731473 Energy: 0.7711182547778996 Energy: 0.7711182547778996 Energy: 0.8032128214759413 Energy: 0.7711182547778996 Energy: 0.803212821477788 Energy: 0.7711182547778996 Energy: 0.803212821473502 minimum gb energy = 0.013693119235731473 eV minimum distance = 2.37246932584096 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9383606144104636 Energy: 0.8817621517401297 Energy: 0.9383606144104636 Energy: 0.8817621517423945 Energy: 0.9383606144104636 Energy: 0.8817621517408847 Energy: 1.0091886830671526 Energy: 0.82160710721991 Energy: 1.0091886830709271 Energy: 0.8216071072191551 Energy: 1.0091886830731918 Energy: 0.82160710721991 Energy: 0.8877646367348128 Energy: 0.9277546668041542 Energy: 0.8877646367340578 Energy: 0.9277546668049091 Energy: 0.8877646367348128 Energy: 0.9277546668064189 Energy: 0.9911719899808286 Energy: 0.861874885654989 Energy: 0.9911719899800737 Energy: 0.861874885654989 Energy: 0.9911719899793188 Energy: 0.861874885654989 Energy: 0.8928645812864784 Energy: 0.9376528200867027 Energy: 0.892864581289498 Energy: 0.937652820085193 Energy: 0.892864581289498 Energy: 0.9376528200829283 Energy: 0.9359383162845012 Energy: 0.8386671183863029 Energy: 0.9359383162845012 Energy: 0.8386671183855477 Energy: 0.9359383162829916 Energy: 0.8386671183863029 Energy: 0.8867844373861163 Energy: 0.9217262331816848 Energy: 0.8867844373883811 Energy: 0.9217262331779104 Energy: 0.8867844373883811 Energy: 0.9217262331779104 Energy: 0.8621572680968497 Energy: 0.9924883097300105 Energy: 0.8621572680960948 Energy: 0.9924883097292554 Energy: 0.8621572680968497 Energy: 0.9924883097307654 Energy: 0.9538066788644572 Energy: 0.9281886510038956 Energy: 0.9538066788652121 Energy: 0.9281886510038956 Energy: 0.9538066788644572 Energy: 0.9281886510038956 Energy: 0.8117188844891695 Energy: 0.9796251885925028 Energy: 0.8117188844899242 Energy: 0.9796251886000519 Energy: 0.8117188844899242 Energy: 0.9796251885955224 Energy: 0.9761032443044779 Energy: 0.8381579518842684 Energy: 0.9761032443059877 Energy: 0.8381579518842684 Energy: 0.9761032443067424 Energy: 0.8381579518842684 Energy: 0.7944568301471568 Energy: 0.9557088486720716 Energy: 0.7944568301479118 Energy: 0.9557088486750912 Energy: 0.7944568301479118 Energy: 0.955708848677356 Energy: 1.019861374112284 Energy: 0.7892423438657838 Energy: 1.0198613741183231 Energy: 0.7892423438650291 Energy: 1.0198613741137939 Energy: 0.7892423438650291 Energy: 0.8519824636001267 Energy: 0.869138304203413 Energy: 0.8519824636001267 Energy: 0.8691383042041677 Energy: 0.8519824636008816 Energy: 0.8691383042049227 Energy: 1.0399038823904643 Energy: 0.8221812392398614 Energy: 1.0399038823919742 Energy: 0.8221812392398614 Energy: 1.0399038823919742 Energy: 0.8221812392406163 Energy: 1.0398463053255647 Energy: 0.9359151622014494 Energy: 1.0398463053255647 Energy: 0.9359151621999395 Energy: 1.0398463053255647 Energy: 0.9359151621991847 Energy: 0.9123254030265112 Energy: 0.9056703969104196 Energy: 0.9123254030204722 Energy: 0.9056703969119293 Energy: 0.9123254030227366 Energy: 0.9056703969104196 Energy: 0.9123668141770845 Energy: 0.8707123702941767 Energy: 0.9123668141755746 Energy: 0.8707123702949316 Energy: 0.9123668141785942 Energy: 0.870712370292667 Energy: 0.8139478752113902 Energy: 0.8614971863812796 Energy: 0.8139478752106355 Energy: 0.8614971863820347 Energy: 0.8139478752106355 Energy: 0.8614971863835442 Energy: 0.9381450049657547 Energy: 0.8385798766846086 Energy: 0.9381450049619802 Energy: 0.8385798766838537 Energy: 0.938145004962735 Energy: 0.8385798766846086 Energy: 0.8315120725653398 Energy: 0.9886550936620306 Energy: 0.8315120725653398 Energy: 0.9886550936612757 Energy: 0.8315120725653398 Energy: 0.9886550936605207 Energy: 0.940122884801358 Energy: 0.9234584666717959 Energy: 0.940122884801358 Energy: 0.9234584666717959 Energy: 0.9401228848043774 Energy: 0.9234584666725509 Energy: 0.7813711743256687 Energy: 0.9934874413019772 Energy: 0.7813711743256687 Energy: 0.9934874413042419 Energy: 0.7813711743256687 Energy: 0.9934874413004676 minimum gb energy = 0.7813711743256687 eV minimum distance = 2.29953922435544 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.0182241840116346 Energy: 0.99660081469729 Energy: 0.9379524308581553 Energy: 0.9966008146960019 Energy: 1.0182241840056232 Energy: 0.9966008146960019 Energy: 1.0060074977386222 Energy: 0.8706967613146247 Energy: 1.0060074977399103 Energy: 0.8706967613146247 Energy: 1.006007497735187 Energy: 0.8706967613141952 Energy: 0.8505091603372399 Energy: 0.7847506867636761 Energy: 0.850509160335093 Energy: 0.7847506867744105 Energy: 0.8505091603372399 Energy: 0.7847506867847156 Energy: 0.8766793402899298 Energy: 0.7578341989040616 Energy: 0.8766793397328669 Energy: 0.7578341995388422 Energy: 0.876679339166748 Energy: 0.757834200017836 Energy: 0.9384540214123878 Energy: 0.8270100742755611 Energy: 0.9384540214115289 Energy: 0.8270100741545537 Energy: 0.9384540214110995 Energy: 0.827010074135661 Energy: 0.8553811569929027 Energy: 0.8504678818221365 Energy: 0.855381156981739 Energy: 0.850383211235795 Energy: 0.8553811569783039 Energy: 0.8504678818264303 Energy: 0.8434438906352282 Energy: 0.7999895341122613 Energy: 0.8434438943369968 Energy: 0.8332499764986541 Energy: 0.843443897211271 Energy: 0.7999894661701875 Energy: 0.7854025474145447 Energy: 0.9663227611151594 Energy: 0.7854025474205563 Energy: 0.9663227610657805 Energy: 0.7854025474171211 Energy: 0.9663227610035593 Energy: 0.8340003017091455 Energy: 0.8529819025870645 Energy: 0.8340003017039929 Energy: 0.8529819025844882 Energy: 0.8340003017074279 Energy: 0.8529819025806239 Energy: 0.8364337853870539 Energy: 0.8654939195885389 Energy: 0.8364323932289228 Energy: 0.865493766807638 Energy: 0.8364337853776074 Energy: 0.8654936152168635 Energy: 0.8670575519239472 Energy: 0.8377161157168727 Energy: 0.8670575519209414 Energy: 0.8377161157078555 Energy: 0.8670575519260939 Energy: 0.8377161157065675 Energy: 0.8505053229878122 Energy: 0.908443694400109 Energy: 0.8505054603840038 Energy: 0.908443694398821 Energy: 0.8505053229860948 Energy: 0.9084436943992503 Energy: 0.8907120545566567 Energy: 0.850632777125905 Energy: 0.890712054530035 Energy: 0.8506327771241873 Energy: 0.8907120545081366 Energy: 0.8506327771306281 Energy: 0.946640292944889 Energy: 0.9980215284448533 Energy: 0.9466402929440303 Energy: 0.9980215284418477 Energy: 0.9466402929410244 Energy: 0.9980215284435652 Energy: 0.9438835029904996 Energy: 0.8702774141665901 Energy: 0.9438835029904996 Energy: 0.8702774141661606 Energy: 0.943883502987494 Energy: 0.8702774141640138 Energy: 0.8506512758086411 Energy: 0.794992398254289 Energy: 0.8506512758077821 Energy: 0.7949923982512834 Energy: 0.8506512758133641 Energy: 0.7949923982499953 Energy: 0.8465584194010416 Energy: 0.9518360147897866 Energy: 0.8465584190224841 Energy: 0.9518360147932218 Energy: 0.8465584186568079 Energy: 0.9518360147915043 Energy: 0.9370709126540175 Energy: 0.8500378891583518 Energy: 0.9370709126462887 Energy: 0.8499156500905176 Energy: 0.9370709126415656 Energy: 0.8500378891592105 Energy: 0.8968920119331185 Energy: 0.8425469947739646 Energy: 0.8968920119361241 Energy: 0.8704188411129026 Energy: 0.8968920119314011 Energy: 0.8425469947765409 Energy: 0.9986820468764411 Energy: 0.9804422715529545 Energy: 0.9986820468742942 Energy: 0.9401544326198458 Energy: 0.9986820468738647 Energy: 0.9804422715563897 Energy: 0.7834854988615949 Energy: 0.8476002812781886 Energy: 0.7834854988620243 Energy: 0.8476002808888964 Energy: 0.783485498862883 Energy: 0.8476002804554171 Energy: 0.7678738419414011 Energy: 0.8530508886817166 Energy: 0.7678738419452654 Energy: 0.8530508886812873 Energy: 0.7678738419529944 Energy: 0.8530508886842929 Energy: 0.8351548470305931 Energy: 0.8652586428288075 Energy: 0.8351556049205276 Energy: 0.8652586506297564 Energy: 0.8351548470280168 Energy: 0.8652586583951056 Energy: 0.8665984299928812 Energy: 0.9379908405470748 Energy: 0.866598429948694 Energy: 0.9379908405444987 Energy: 0.8665984299048972 Energy: 0.9379908405487924 Energy: 0.8504547855562107 Energy: 0.8594106134518749 Energy: 0.850463871165773 Energy: 0.8594106134544511 Energy: 0.8504547855514875 Energy: 0.8594106134617507 Energy: 0.9711669708777947 Energy: 0.8615647847647384 Energy: 0.9265273293063104 Energy: 0.861564781662112 Energy: 0.9711669708885292 Energy: 0.861564777977089 Energy: 0.9657113898965937 Energy: 0.7924153140550649 Energy: 0.7867454435381246 Energy: 0.7924153143310396 Energy: 0.9657113898326158 Energy: 0.7924153147143206 Energy: 0.8502063220602426 Energy: 0.8707465793606516 Energy: 0.8502063220580958 Energy: 0.8707465793627983 Energy: 0.8502063220576664 Energy: 0.8707465793675215 Energy: 0.8758791478105392 Energy: 0.8700584417557929 Energy: 0.8758792375254132 Energy: 0.870058441757081 Energy: 0.8758792528900197 Energy: 0.8700584417587987 Energy: 0.8353213039810632 Energy: 0.829746305499639 Energy: 0.8353213039853571 Energy: 0.8297463056159232 Energy: 0.8353213039797752 Energy: 0.829746305630522 Energy: 0.9370963068165022 Energy: 0.8529317684001163 Energy: 0.9370963068207959 Energy: 0.8529398908574796 Energy: 0.9370963068203665 Energy: 0.8529317683988283 Energy: 0.8496511795770872 Energy: 0.7437318868746637 Energy: 0.8496511795766577 Energy: 0.8204219352995739 Energy: 0.8496511795740815 Energy: 0.7437311267533551 Energy: 0.9991270660441455 Energy: 0.9401180543445883 Energy: 0.9991270660415692 Energy: 0.9803878106879723 Energy: 0.9991270660480098 Energy: 0.9401180543450176 Energy: 0.8725578024631025 Energy: 0.9433711338936641 Energy: 0.8725578024622437 Energy: 0.943371133892376 Energy: 0.8725578024643906 Energy: 0.9433711338975286 Energy: 0.7957585840845541 Energy: 0.8503927103021661 Energy: 0.795758584086701 Energy: 0.8503927103021661 Energy: 0.795758584087989 Energy: 0.8503927103021661 Energy: 0.9552137800062838 Energy: 0.8477798047371776 Energy: 0.9552137800024193 Energy: 0.8477798047920992 Energy: 0.9552137800037076 Energy: 0.8477798048521735 Energy: 0.8501926322249274 Energy: 0.937017105670794 Energy: 0.8501932797541945 Energy: 0.9370171056720822 Energy: 0.8501926322330465 Energy: 0.9370171056733703 Energy: 0.8705666170145496 Energy: 0.8559259705645701 Energy: 0.870566617010685 Energy: 0.8559259705611352 Energy: 0.870566617012832 Energy: 0.8559259705525476 Energy: 0.9464697509860307 Energy: 1.0004091845875727 Energy: 0.9464697509903246 Energy: 1.0004091845854257 Energy: 0.946469750989466 Energy: 1.0004091845837082 Energy: 0.8516684087348565 Energy: 0.7839249614433226 Energy: 0.8516684072730104 Energy: 0.7839249614424638 Energy: 0.8516684058429776 Energy: 0.7839249614398877 Energy: 0.8506106336218636 Energy: 0.831569285204989 Energy: 0.8506106336265867 Energy: 0.8315692852037009 Energy: 0.8506106336240103 Energy: 0.8315692852075652 minimum gb energy = 0.7437311267533551 eV minimum distance = 2.40018895817335 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.9177528475593807 Energy: 0.9286686479279175 Energy: 0.9177528475583856 Energy: 0.9286686479279175 Energy: 0.9177528475593807 Energy: 0.9286686479269227 Energy: 0.9810295630840558 Energy: 0.8716831977129244 Energy: 0.9810295630850505 Energy: 0.8716831977129244 Energy: 0.9810295630850505 Energy: 0.8716831977129244 Energy: 0.8779332824233392 Energy: 0.9214892905774268 Energy: 0.8779332824243339 Energy: 0.921489290575437 Energy: 0.8779332824233392 Energy: 0.9214892905764319 Energy: 0.9104471814145554 Energy: 0.8035077956533259 Energy: 0.9104471814135605 Energy: 0.8035077956533259 Energy: 0.9104471814125658 Energy: 0.8035077956533259 Energy: 0.9291758389885454 Energy: 0.8888614514873017 Energy: 0.9291758389885454 Energy: 0.8888614514892913 Energy: 0.9291758389895403 Energy: 0.8888614514882965 Energy: 0.9278861756623676 Energy: 0.888807763251326 Energy: 0.9278861756613728 Energy: 0.8888077632523209 Energy: 0.9278861756613728 Energy: 0.8888077632523209 Energy: 0.876972169993992 Energy: 0.8890181117159445 Energy: 0.8769721699949868 Energy: 0.8890181117159445 Energy: 0.876972169993992 Energy: 0.8890181117159445 Energy: 0.8450687450131368 Energy: 0.8896328033590275 Energy: 0.8450687450131368 Energy: 0.8896328033580326 Energy: 0.8450687450131368 Energy: 0.8896328033590275 Energy: 1.044976549800709 Energy: 0.7995674572146612 Energy: 1.0449765497997143 Energy: 0.7995674572146612 Energy: 1.0449765498026988 Energy: 0.7995674572136663 Energy: 0.8213040402285119 Energy: 0.937450410381296 Energy: 0.8213040402285119 Energy: 0.9374504103703977 Energy: 0.8213040402285119 Energy: 0.9374504103375669 Energy: 0.9647266034137141 Energy: 0.8033612977840946 Energy: 0.9647266034137141 Energy: 0.8033612977840946 Energy: 0.9647266034147087 Energy: 0.8033612977840946 Energy: 0.9209513921663582 Energy: 0.9307572228887274 Energy: 0.9209513921663582 Energy: 0.9307572228887274 Energy: 0.9209513921663582 Energy: 0.9307572228887274 Energy: 0.978223144790557 Energy: 0.8701078702779745 Energy: 0.9782231447895624 Energy: 0.8701078702779745 Energy: 0.978223144792547 Energy: 0.8701078702779745 Energy: 0.8777887899956066 Energy: 0.8573927210850772 Energy: 0.8777887899946117 Energy: 0.8573927210850772 Energy: 0.8777887899956066 Energy: 0.8573927210850772 Energy: 0.910601696290284 Energy: 0.9212557484482825 Energy: 0.910601696290284 Energy: 0.9212557484482825 Energy: 0.910601696290284 Energy: 0.9212557484482825 Energy: 0.9271805012254423 Energy: 0.8888301711384329 Energy: 0.9271805012264369 Energy: 0.8888301711384329 Energy: 0.9271805012264369 Energy: 0.8888301711384329 Energy: 0.9285532627465382 Energy: 0.9651789732369375 Energy: 0.9285532627465382 Energy: 0.965178973239922 Energy: 0.9285532627465382 Energy: 0.9651789732389272 Energy: 0.9089415819433279 Energy: 0.8930194446984245 Energy: 0.908941581942333 Energy: 0.8930194446984245 Energy: 0.908941581942333 Energy: 0.8930194446994194 minimum gb energy = 0.7995674572136663 eV minimum distance = 2.29547350275849 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7613853823996437 Energy: 0.7705357280704995 Energy: 0.7613853823996437 Energy: 0.7705357280704995 Energy: 0.7613853823990535 Energy: 0.7705357280704995 Energy: 0.8438396100208551 Energy: 0.9216373159788352 Energy: 0.843839610021445 Energy: 0.9216373159794253 Energy: 0.843839610021445 Energy: 0.9216373159794253 Energy: 0.7279965647785493 Energy: 0.9194623219391219 Energy: 0.7279965647785493 Energy: 0.9194623219391219 Energy: 0.7279965647785493 Energy: 0.919462321939712 Energy: 0.7977355997161879 Energy: 0.7280099986357813 Energy: 0.7977355997161879 Energy: 0.7280099986351911 Energy: 0.7977355997161879 Energy: 0.7280099986357813 Energy: 0.7494837728635532 Energy: 0.7589158383382243 Energy: 0.7494837728629631 Energy: 0.7589158383382243 Energy: 0.7494837728629631 Energy: 0.7589158383382243 Energy: 0.7494745811445425 Energy: 0.758799481976981 Energy: 0.7494745811439791 Energy: 0.758799481976981 Energy: 0.7494745811445425 Energy: 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0.7977355997161879 Energy: 0.7280099986357813 Energy: 0.7977355997161879 Energy: 0.7280099986351911 Energy: 0.7977355997155977 Energy: 0.7280099986351911 Energy: 0.7494837728635532 Energy: 0.7589158383382243 Energy: 0.7494837728629631 Energy: 0.7589158383382243 Energy: 0.7494837728635532 Energy: 0.7589158383376341 Energy: 0.7494745811439791 Energy: 0.758799481976981 Energy: 0.7494745811439791 Energy: 0.758799481976981 Energy: 0.7494745811445425 Energy: 0.7587994819763909 Energy: 0.797494744766563 Energy: 0.7280832922170357 Energy: 0.797494744766563 Energy: 0.7280832922170357 Energy: 0.797494744766563 Energy: 0.7280832922170357 Energy: 0.7279606930667882 Energy: 0.919379813749751 Energy: 0.7279606930667882 Energy: 0.9193798137521115 Energy: 0.7279606930667882 Energy: 0.9193798137491609 Energy: 0.8436879354909921 Energy: 0.9214615143146613 Energy: 0.8436879354945328 Energy: 0.9214615143146613 Energy: 0.8436879354909921 Energy: 0.9214615143146613 Energy: 0.7613853823996437 Energy: 0.7705357280704995 Energy: 0.7613853823990535 Energy: 0.7705357280704995 Energy: 0.7613853823996437 Energy: 0.7705357280704995 Energy: 0.8438396100208551 Energy: 0.9216373159794253 Energy: 0.8438396100208551 Energy: 0.9216373159800155 Energy: 0.843839610021445 Energy: 0.9216373159800155 Energy: 0.7279965647785493 Energy: 0.9194623219385318 Energy: 0.7279965647785493 Energy: 0.9194623219385318 Energy: 0.7279965647785493 Energy: 0.9194623219403022 Energy: 0.7977355997161879 Energy: 0.7280099986351911 Energy: 0.7977355997155977 Energy: 0.7280099986351911 Energy: 0.7977355997161879 Energy: 0.7280099986351911 Energy: 0.7494837728629631 Energy: 0.7589158383376341 Energy: 0.7494837728629631 Energy: 0.7589158383382243 Energy: 0.7494837728629631 Energy: 0.7589158383382243 Energy: 0.7494745811445425 Energy: 0.758799481976981 Energy: 0.7494745811439791 Energy: 0.7587994819763909 Energy: 0.7494745811445425 Energy: 0.758799481976981 Energy: 0.797494744766563 Energy: 0.7280832922170357 Energy: 0.797494744766563 Energy: 0.7280832922170357 Energy: 0.797494744766563 Energy: 0.7280832922170357 Energy: 0.7279606930667882 Energy: 0.919379813749751 Energy: 0.7279606930667882 Energy: 0.9193798137509315 Energy: 0.7279606930667882 Energy: 0.919379813749751 Energy: 0.8436879354909921 Energy: 0.9214615143146613 Energy: 0.8436879354921722 Energy: 0.9214615143146613 Energy: 0.8436879354939427 Energy: 0.9214615143146613 Energy: 0.7613853823996437 Energy: 0.7705357280704995 Energy: 0.7613853823996437 Energy: 0.7705357280704995 Energy: 0.7613853823990535 Energy: 0.7705357280704995 Energy: 0.843839610021445 Energy: 0.9216373159794253 Energy: 0.8438396100196749 Energy: 0.9216373159794253 Energy: 0.843839610021445 Energy: 0.9216373159794253 Energy: 0.7279965647785493 Energy: 0.9194623219391219 Energy: 0.7279965647785493 Energy: 0.919462321939712 Energy: 0.7279965647785493 Energy: 0.919462321939712 minimum gb energy = 0.7279606930667882 eV minimum distance = 2.31076190710825 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7527097040899762 Energy: 0.7293578339933982 Energy: 0.7527097040899762 Energy: 0.7293578339933982 Energy: 0.7527097040899762 Energy: 0.7293578339933982 Energy: 0.8615302166126017 Energy: 0.7582479485232445 Energy: 0.861530216614047 Energy: 0.7582479485232445 Energy: 0.861530216614047 Energy: 0.7582479485232445 Energy: 0.7557024539549846 Energy: 0.8382854673531226 Energy: 0.7557024539535391 Energy: 0.8382854673545681 Energy: 0.7557024539549846 Energy: 0.8382854673531226 Energy: 0.8441001627406037 Energy: 0.7085933735153829 Energy: 0.8441001627391582 Energy: 0.7085933735153829 Energy: 0.8441001627391582 Energy: 0.7085933735153829 Energy: 0.8420886122141146 Energy: 0.708606075375608 Energy: 0.8420886122141146 Energy: 0.708606075375608 Energy: 0.8420886122141146 Energy: 0.708606075375608 Energy: 0.8558733589332006 Energy: 0.8932285777647988 Energy: 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0.8152252821435818 Energy: 0.8888463753731176 Energy: 0.8152252821450273 minimum gb energy = 0.7085933735153829 eV minimum distance = 2.28979973600726 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7559139520154159 Energy: 0.7229852851505821 Energy: 0.7559139520162282 Energy: 0.722985285150176 Energy: 0.7559139520150098 Energy: 0.722985285150176 Energy: 0.7177137037935835 Energy: 0.6526054905947944 Energy: 0.7177137037931773 Energy: 0.7483004880047758 Energy: 0.7177137037895219 Energy: 0.6931465019051896 Energy: 0.6588174056373828 Energy: 0.7358522964351857 Energy: 0.6588174056361643 Energy: 0.7358522964327487 Energy: 0.6588174056373828 Energy: 0.7358522964339672 Energy: 0.6798731081163456 Energy: 0.6528198671223454 Energy: 0.6798731081155333 Energy: 0.6528198671227516 Energy: 0.6798731081167517 Energy: 0.6528198671219393 Energy: 0.7180164280626055 Energy: 0.7020079309597131 Energy: 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0.6527224990456001 Energy: 0.6798582036318976 Energy: 0.6527224990460063 Energy: 0.6798582036323038 Energy: 0.6527224990460063 Energy: 0.6587534698023187 Energy: 0.7358648125833952 Energy: 0.6587534698027249 Energy: 0.7358648125838014 Energy: 0.6587534698031311 Energy: 0.735864812582583 Energy: 0.7176043420203124 Energy: 0.6950711494461008 Energy: 0.7176043420097524 Energy: 0.6950711494444763 Energy: 0.7176043420195002 Energy: 0.6950711494469132 Energy: 0.7559139520190712 Energy: 0.7229852851546438 Energy: 0.7559139520170405 Energy: 0.7229852851542377 Energy: 0.7559139520174467 Energy: 0.7229852851546438 Energy: 0.7177137037911465 Energy: 0.6526054905947944 Energy: 0.717713703792365 Energy: 0.6526054905943883 Energy: 0.7177137037903343 Energy: 0.6526054905947944 Energy: 0.6588174056365704 Energy: 0.7358522964372165 Energy: 0.6588174056369765 Energy: 0.7358522964364042 Energy: 0.6588174056357582 Energy: 0.7358522964351857 Energy: 0.6798731081200011 Energy: 0.6528198671255946 Energy: 0.6798731081191888 Energy: 0.6528198671260007 Energy: 0.6798731081187825 Energy: 0.6528198671255946 Energy: 0.7180164280605746 Energy: 0.7020079309629256 Energy: 0.7180164280605746 Energy: 0.7020079309629256 Energy: 0.7180164280597623 Energy: 0.7020079309629256 minimum gb energy = 0.6355111841865976 eV minimum distance = 2.35748646480025 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.332199898787523 Energy: 0.33962988346996703 Energy: 0.332199898787523 Energy: 0.3396298834690425 Energy: 0.332199898787523 Energy: 0.3396298834690425 Energy: 0.41261626815639874 Energy: 0.3330813833165166 Energy: 0.41261626815639874 Energy: 0.3330813833165166 Energy: 0.4126162681573233 Energy: 0.3330813833165166 Energy: 0.37009561919485623 Energy: 0.406987832337859 Energy: 0.37009561919485623 Energy: 0.4069878323369345 Energy: 0.3700956191957808 Energy: 0.406987832337859 Energy: 0.3417776384639262 Energy: 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Energy: 0.41476992353642367 Energy: 0.42016778426603035 Energy: 0.41476992353642367 Energy: 0.42016778426695495 Energy: 0.33235888362497423 Energy: 0.3692914272531187 Energy: 0.33235888362497423 Energy: 0.3692914272531187 Energy: 0.3323588836240497 Energy: 0.3692914272531187 Energy: 0.3323574773804471 Energy: 0.36995684818744 Energy: 0.3323574773795226 Energy: 0.36995684818744 Energy: 0.3323574773804471 Energy: 0.36995684818744 Energy: 0.4147801296621485 Energy: 0.42013300301589296 Energy: 0.4147801296621485 Energy: 0.4201330030168175 Energy: 0.4147801296621485 Energy: 0.4201330030168175 minimum gb energy = 0.33203787695938436 eV minimum distance = 2.44371066595138 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5958146566068349 Energy: 0.5823079259046137 Energy: 0.5958146566068349 Energy: 0.5823079259032592 Energy: 0.5958146566068349 Energy: 0.5823079259052909 Energy: 0.7308521471491918 Energy: 0.621589817299124 Energy: 0.7308521471532554 Energy: 0.6215898172984468 Energy: 0.7308521471519009 Energy: 0.6215898172998012 Energy: 0.7257814337959787 Energy: 0.8222309416396899 Energy: 0.7257814337959787 Energy: 0.8222309416383354 Energy: 0.7257814337959787 Energy: 0.8222309416403671 Energy: 0.7474561581961288 Energy: 0.5632450201161231 Energy: 0.7474561581947742 Energy: 0.5632450201168003 Energy: 0.7474561581954515 Energy: 0.5632450201161231 Energy: 0.5583138390000979 Energy: 0.5411955378403135 Energy: 0.5583138390014525 Energy: 0.5411955378416679 Energy: 0.5583138389987434 Energy: 0.5411955378409906 Energy: 0.6744417594041411 Energy: 0.5555587961917287 Energy: 0.6744417594048183 Energy: 0.5555587961917287 Energy: 0.6744417594041411 Energy: 0.5555587961917287 Energy: 0.5371447804527062 Energy: 0.5928836821811568 Energy: 0.5371447804513517 Energy: 0.5928836821798023 Energy: 0.5371447804527062 Energy: 0.5928836821791251 Energy: 0.7287412973771672 Energy: 0.5188768079770362 Energy: 0.7287412973771672 Energy: 0.5188768079777135 Energy: 0.7287412973764898 Energy: 0.5188768079770362 Energy: 0.7261981083532792 Energy: 0.5216846239382623 Energy: 0.7261981083526021 Energy: 0.5216846239389396 Energy: 0.7261981083526021 Energy: 0.5216846239382623 Energy: 0.5310992068301964 Energy: 0.7718408961634977 Energy: 0.5310992068295192 Energy: 0.7718408961634977 Energy: 0.5310992068301964 Energy: 0.7718408961628205 Energy: 0.7531030799544953 Energy: 0.6899471523156482 Energy: 0.7531030799531409 Energy: 0.6899471523156482 Energy: 0.7531030799544953 Energy: 0.689947152314971 Energy: 0.5581684626382167 Energy: 0.5437065036100255 Energy: 0.5581684626314443 Energy: 0.5437065036100255 Energy: 0.5581684626409258 Energy: 0.5437065036093482 Energy: 0.64121330110511 Energy: 0.5670458842579609 Energy: 0.6412133011024009 Energy: 0.5670458842579609 Energy: 0.6412133011030783 Energy: 0.5670458842579609 Energy: 0.7104480226749686 Energy: 0.8013072302870591 Energy: 0.7104480226776775 Energy: 0.8013072302877363 Energy: 0.7104480226776775 Energy: 0.8013072302884136 Energy: 0.7442178246652267 Energy: 0.6235029671765512 Energy: 0.7442178246645494 Energy: 0.6235029671745195 Energy: 0.7442178246645494 Energy: 0.6235029671765512 Energy: 0.5925575070820305 Energy: 0.5843579631581929 Energy: 0.5925575070813532 Energy: 0.5843579631365209 Energy: 0.592557507080676 Energy: 0.5843579631195894 Energy: 0.5924374572558574 Energy: 0.6195580079823001 Energy: 0.5924374572578891 Energy: 0.6195580079823001 Energy: 0.5924374572572119 Energy: 0.6195580079823001 Energy: 0.8380885441213103 Energy: 0.624043731629937 Energy: 0.838088544120633 Energy: 0.624043731629937 Energy: 0.838088544117924 Energy: 0.624043731629937 Energy: 0.6708208708077086 Energy: 0.5607529269389236 Energy: 0.6708208708070313 Energy: 0.5607529269389236 Energy: 0.6708208708063541 Energy: 0.5607529269396009 Energy: 0.5596011228643535 Energy: 0.6493395425056117 Energy: 0.559601122868417 Energy: 0.6493395425056117 Energy: 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0.6497987933065997 Energy: 0.5658849093915125 Energy: 0.7006526235303621 Energy: 0.5658849093915125 Energy: 0.7006526235303621 Energy: 0.5658849093920463 Energy: 0.6191056693455183 Energy: 0.5728320540839881 Energy: 0.5899364246346566 Energy: 0.5728320540845219 Energy: 0.5899364246346566 Energy: 0.5728320540845219 Energy: 0.5899364246346566 Energy: 0.5527951078173196 Energy: 0.6487499215650262 Energy: 0.5527951078173196 Energy: 0.6487499215660938 Energy: 0.5527951078178535 Energy: 0.6487499215660938 Energy: 0.6295723129917878 Energy: 0.6431624410674127 Energy: 0.6295723129923216 Energy: 0.6431624410663451 Energy: 0.6295723129917878 Energy: 0.6431624410674127 Energy: 0.5522058162948043 Energy: 0.6104772898546176 Energy: 0.5522058162948043 Energy: 0.690763734234247 Energy: 0.5522058162948043 Energy: 0.6030236664479761 Energy: 0.5764340588470791 Energy: 0.5897992644831425 Energy: 0.5764340588460116 Energy: 0.5897992644831425 Energy: 0.5764340588465454 Energy: 0.5897992644831425 Energy: 0.6010220384719821 Energy: 0.7017447475087659 Energy: 0.601022038472516 Energy: 0.7017447475103672 Energy: 0.601022038472516 Energy: 0.7017447475092997 Energy: 0.6440017879684856 Energy: 0.6354971127578616 Energy: 0.6440017879679517 Energy: 0.6354971127680036 Energy: 0.6440017879690193 Energy: 0.6354971127626657 Energy: 0.6290341988758331 Energy: 0.5930994897870817 Energy: 0.6290341988774344 Energy: 0.5930994897844127 Energy: 0.6290341988758331 Energy: 0.5930994897828114 Energy: 0.5993612319257442 Energy: 0.6362717622852341 Energy: 0.5993612319257442 Energy: 0.6362717622836328 Energy: 0.5993612319257442 Energy: 0.636271762285768 Energy: 0.6140081901044997 Energy: 0.6977005158132071 Energy: 0.614008190103966 Energy: 0.6977005158164099 Energy: 0.6140081901050335 Energy: 0.6977005158158761 Energy: 0.6339549348204612 Energy: 0.5892612984516791 Energy: 0.6339549348204612 Energy: 0.5892612984522129 Energy: 0.6339549348199275 Energy: 0.5892612984522129 Energy: 0.5523045451640289 Energy: 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0.6896408141779864 Energy: 0.6133950569377158 Energy: 0.6896408141758512 Energy: 0.6133950569387834 Energy: 0.5683387276966311 Energy: 0.737057320652783 Energy: 0.5683387276966311 Energy: 0.737057320652783 Energy: 0.5683387276971648 Energy: 0.7370573206533167 Energy: 0.5915284739081164 Energy: 0.6200670273957222 Energy: 0.59152847390865 Energy: 0.6200670273957222 Energy: 0.5915284739091838 Energy: 0.6200670273951883 Energy: 0.5573155910993056 Energy: 0.606238558552365 Energy: 0.5573155910993056 Energy: 0.6062385585528988 Energy: 0.5573155910987718 Energy: 0.6062385585528988 minimum gb energy = 0.5522058162948043 eV minimum distance = 2.37787055127666 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6957604719486471 Energy: 0.6169816206067611 Energy: 0.6957604719478979 Energy: 0.6169816206060119 Energy: 0.6957604719490217 Energy: 0.6169816206063864 Energy: 0.6899487386381207 Energy: 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0.77029959641951 Energy: 0.8215307862902269 Energy: 0.7702995964189355 Energy: 0.7638415328951045 Energy: 0.7140367644061876 Energy: 0.7638415328928069 Energy: 0.7140367644056133 Energy: 0.7638415328922324 Energy: 0.7140367644056133 Energy: 0.8049656781473392 Energy: 0.7148011444911543 Energy: 0.804965678145616 Energy: 0.7148011444911543 Energy: 0.8049656781433184 Energy: 0.7148011444911543 Energy: 0.7493832533117268 Energy: 0.7801355074628658 Energy: 0.7493832533111525 Energy: 0.7801355074634402 Energy: 0.7493832533111525 Energy: 0.7801355074628658 Energy: 0.7862214049243551 Energy: 0.8059248523923438 Energy: 0.7862214049243551 Energy: 0.8059248523923438 Energy: 0.7862214049249295 Energy: 0.8059248523929181 Energy: 0.7458130180965624 Energy: 0.770793216402899 Energy: 0.7458130180965624 Energy: 0.770793216402899 Energy: 0.7458130180971367 Energy: 0.770793216402899 minimum gb energy = 0.6899386299673622 eV minimum distance = 2.36694311702989 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.8117439430565195 Energy: 0.701874762211509 Energy: 0.8117439430565195 Energy: 0.7018747622122526 Energy: 0.8117439430565195 Energy: 0.7018747622122526 Energy: 0.7540332814922092 Energy: 0.6811054681964177 Energy: 0.7540332814914654 Energy: 0.6811054681964177 Energy: 0.7540332814914654 Energy: 0.6811054681964177 Energy: 0.7653830692809521 Energy: 0.8482114447248446 Energy: 0.7653830692816959 Energy: 0.8482114447255883 Energy: 0.7653830692787209 Energy: 0.8482114447255883 Energy: 0.7622887274543853 Energy: 0.7857152944632764 Energy: 0.7622887274536415 Energy: 0.78571529446402 Energy: 0.7622887274543853 Energy: 0.7857152944655075 Energy: 0.7250283867798499 Energy: 0.7867898441195772 Energy: 0.7250283867798499 Energy: 0.7867898441195772 Energy: 0.7250283867805937 Energy: 0.7867898441188335 Energy: 0.7595583122319904 Energy: 0.7568585520394933 Energy: 0.7595583122312468 Energy: 0.7568585520394933 Energy: 0.7595583122409151 Energy: 0.756858552040237 Energy: 0.7677832106491347 Energy: 0.8341064118454414 Energy: 0.7677832106498783 Energy: 0.8341064118454414 Energy: 0.7677832106491347 Energy: 0.8341064118454414 Energy: 0.7635869897645462 Energy: 0.6888320262329625 Energy: 0.7635869897645462 Energy: 0.6888320262329625 Energy: 0.7635869897638025 Energy: 0.6888320262329625 Energy: 0.7328741783303534 Energy: 0.6829584373775643 Energy: 0.7328741783310971 Energy: 0.6829584373768206 Energy: 0.7328741783296098 Energy: 0.6829584373768206 Energy: 0.6636967261167066 Energy: 0.7392716783630816 Energy: 0.6636967261174503 Energy: 0.7392716783630816 Energy: 0.663696726118194 Energy: 0.7392716783630816 Energy: 0.767697490625433 Energy: 0.787843627987771 Energy: 0.767697490625433 Energy: 0.7878436279885148 Energy: 0.7676974906261766 Energy: 0.787843627987771 Energy: 0.7282300505820926 Energy: 0.8032488580584257 Energy: 0.7282300505820926 Energy: 0.803248858057682 Energy: 0.7282300505820926 Energy: 0.8032488580584257 Energy: 0.7329932970997636 Energy: 0.6827951536757012 Energy: 0.7329932970945576 Energy: 0.6827951536757012 Energy: 0.732993297096045 Energy: 0.6827951536757012 Energy: 0.7680459062461445 Energy: 0.6843834400495815 Energy: 0.7680459062483758 Energy: 0.6843834400503251 Energy: 0.7680459062542916 Energy: 0.6843834400495815 Energy: 0.7372860211497437 Energy: 0.6822218737101807 Energy: 0.737286021149 Energy: 0.6822218737101807 Energy: 0.7372860211504874 Energy: 0.6822218737101807 Energy: 0.736807655536461 Energy: 0.6853753205130806 Energy: 0.736807655536461 Energy: 0.6853753205130806 Energy: 0.736807655536461 Energy: 0.6853753205130806 Energy: 0.6649074039760746 Energy: 0.7533614480416757 Energy: 0.664907403977562 Energy: 0.7533614480416757 Energy: 0.6649074039790495 Energy: 0.7533614480416757 Energy: 0.7653335489099338 Energy: 0.7565320380147459 Energy: 0.76533354890919 Energy: 0.7565320380125147 Energy: 0.7653335489114211 Energy: 0.7565320380147459 Energy: 0.6645574121489574 Energy: 0.7533827625252258 Energy: 0.664557412149701 Energy: 0.7533827625244821 Energy: 0.6645574121504448 Energy: 0.7533827625244821 Energy: 0.7369133138872193 Energy: 0.6855621396582866 Energy: 0.7369133138872193 Energy: 0.6855621396575429 Energy: 0.7369133138872193 Energy: 0.6855621396575429 Energy: 0.7373046612331682 Energy: 0.6820995290096755 Energy: 0.7373046612353994 Energy: 0.6820995290096755 Energy: 0.7373046612331682 Energy: 0.6820995290096755 Energy: 0.7665019585305717 Energy: 0.7022236999327268 Energy: 0.766501958527597 Energy: 0.7022236999319831 Energy: 0.766501958524622 Energy: 0.7022236999327268 Energy: 0.7332879962914546 Energy: 0.6828325315150526 Energy: 0.7332879962899672 Energy: 0.6828325315150526 Energy: 0.7332879962936857 Energy: 0.6828325315157964 Energy: 0.7282844828983851 Energy: 0.8031833584592387 Energy: 0.7282844828983851 Energy: 0.8031833584607261 Energy: 0.7282844828998725 Energy: 0.8031833584607261 minimum gb energy = 0.6636967261167066 eV minimum distance = 2.38536619361543 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.7733460478380004 Energy: 0.6947181226206975 Energy: 0.7733460478380004 Energy: 0.6947181226206975 Energy: 0.7733460478369487 Energy: 0.6947181226217493 Energy: 0.6740281193662846 Energy: 0.6661631493292474 Energy: 0.6740281193662846 Energy: 0.6661631493292474 Energy: 0.6740281193662846 Energy: 0.6661631493302751 Energy: 0.8043283350518512 Energy: 0.7940179025032128 Energy: 0.8043283350518512 Energy: 0.7940179025021612 Energy: 0.8043283350518512 Energy: 0.7940179025032128 Energy: 0.6465493824603684 Energy: 0.7704458383347709 Energy: 0.6465493824603684 Energy: 0.770445838333719 Energy: 0.6465493824603684 Energy: 0.7704458383347709 Energy: 0.7135177711869702 Energy: 0.7404736007435552 Energy: 0.713517771188022 Energy: 0.7404736007414516 Energy: 0.7135177711869702 Energy: 0.7404736007425033 Energy: 0.705206819354889 Energy: 0.763958075725965 Energy: 0.705206819354889 Energy: 0.7639580757270168 Energy: 0.705206819354889 Energy: 0.763958075725965 Energy: 0.727613910692454 Energy: 0.6639406379823385 Energy: 0.727613910692454 Energy: 0.6639406379823385 Energy: 0.727613910692454 Energy: 0.6639406379823385 Energy: 0.647649746420212 Energy: 0.7551391798396887 Energy: 0.6476497464191603 Energy: 0.7551391798396887 Energy: 0.6476497464191603 Energy: 0.7551391798396887 Energy: 0.7406189660592528 Energy: 0.66641583290617 Energy: 0.7406189660592528 Energy: 0.66641583290617 Energy: 0.7406189660592528 Energy: 0.6664158329051184 Energy: 0.7154809475338365 Energy: 0.6705594830694616 Energy: 0.7154809475338365 Energy: 0.6705594830694616 Energy: 0.7154809475338365 Energy: 0.6705594830694616 Energy: 0.7055232653745813 Energy: 0.6801526896761133 Energy: 0.7055232653745813 Energy: 0.6801526896761133 Energy: 0.7055232653745813 Energy: 0.6801526896761133 Energy: 0.7054787802154778 Energy: 0.6666790887809115 Energy: 0.705478780214426 Energy: 0.6666790887809115 Energy: 0.7054787802154778 Energy: 0.6666790887809115 Energy: 0.6255013900141608 Energy: 0.7667064019843404 Energy: 0.6255013900141608 Energy: 0.7667064019843404 Energy: 0.6255013900141608 Energy: 0.7667064019843404 Energy: 0.7156464219218958 Energy: 0.7495606341769957 Energy: 0.7156464219229474 Energy: 0.7495606341769957 Energy: 0.7156464219218958 Energy: 0.7495606341769957 Energy: 0.7051790860870935 Energy: 0.6533431893232698 Energy: 0.7051790860870935 Energy: 0.6533431893232698 Energy: 0.7051790860881452 Energy: 0.6533431893253733 Energy: 0.7049908873453442 Energy: 0.7687684427472308 Energy: 0.7049908873453442 Energy: 0.7687684427472308 Energy: 0.7049908873463959 Energy: 0.7687684427472308 Energy: 0.7139253836314593 Energy: 0.7488184810625894 Energy: 0.7139253836314593 Energy: 0.7488184810615377 Energy: 0.7139253836314593 Energy: 0.7488184810615377 minimum gb energy = 0.6255013900141608 eV minimum distance = 2.34344217254739 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.7040800244611363 Energy: 0.6306194255337394 Energy: 0.7040800244603239 Energy: 0.6306194255337394 Energy: 0.7040800244607301 Energy: 0.6306194255337394 Energy: 0.6428257079436493 Energy: 0.6331407613648692 Energy: 0.6428257079448678 Energy: 0.6331407613652753 Energy: 0.6428257079432432 Energy: 0.6331407613705553 Energy: 0.7048369007686048 Energy: 0.6692818447275811 Energy: 0.704836900769011 Energy: 0.6692818447267688 Energy: 0.7048369007686048 Energy: 0.669281844727175 Energy: 0.5921068143233321 Energy: 0.6627406465765345 Energy: 0.5921068143237382 Energy: 0.6627406465773469 Energy: 0.5921068143233321 Energy: 0.6627406465753161 Energy: 0.6417108261637038 Energy: 0.6100964651438242 Energy: 0.6417108261819436 Energy: 0.6100964651438242 Energy: 0.6417108261531437 Energy: 0.6100964651434181 Energy: 0.6711169293652736 Energy: 0.6177655137718245 Energy: 0.6711169293656797 Energy: 0.6177655137714183 Energy: 0.6711169293660859 Energy: 0.6177655137718245 Energy: 0.6427770549636646 Energy: 0.6404166902422466 Energy: 0.6427770549632584 Energy: 0.6404166902418404 Energy: 0.6427770549612277 Energy: 0.6404166902422466 Energy: 0.6504205496583428 Energy: 0.714217259659603 Energy: 0.6504205496615921 Energy: 0.7142172596587907 Energy: 0.6504205496603737 Energy: 0.7142172596600092 Energy: 0.6576989974875105 Energy: 0.6773356111393684 Energy: 0.6576989974871043 Energy: 0.6773356111393684 Energy: 0.6576989974875105 Energy: 0.6773356111389622 Energy: 0.6410966340856952 Energy: 0.5780595244710494 Energy: 0.6410966340869136 Energy: 0.5780595244710494 Energy: 0.6410966340865074 Energy: 0.5780595244706431 Energy: 0.5908923405436443 Energy: 0.7862954028367458 Energy: 0.5908923405440504 Energy: 0.7862954028367458 Energy: 0.5908923405440504 Energy: 0.7862954028375583 Energy: 0.7080629194941551 Energy: 0.6276112087511321 Energy: 0.7080629194945612 Energy: 0.6276112087519443 Energy: 0.7080629194945612 Energy: 0.6276112087515382 Energy: 0.6543731483496277 Energy: 0.6268205719836953 Energy: 0.6543731483500338 Energy: 0.6268205719816645 Energy: 0.6543731483492216 Energy: 0.6268205719820706 Energy: 0.6453242598545268 Energy: 0.6355483131140012 Energy: 0.6453242598553391 Energy: 0.6355483131131889 Energy: 0.645324259854933 Energy: 0.6355483131127828 Energy: 0.6735024291688435 Energy: 0.6279813712050821 Energy: 0.6735024291680313 Energy: 0.6279813712022391 Energy: 0.673502429170062 Energy: 0.6279813712026452 Energy: 0.5907638080069161 Energy: 0.7002140019703796 Energy: 0.5907638080061037 Energy: 0.7002140019715981 Energy: 0.59076380800651 Energy: 0.6679678602329696 Energy: 0.654615998147879 Energy: 0.66202879836247 Energy: 0.6546159981486913 Energy: 0.6620287983628761 Energy: 0.6546159981474728 Energy: 0.66202879836247 Energy: 0.6766270393385776 Energy: 0.6670838205238463 Energy: 0.676627039339796 Energy: 0.6670838205234402 Energy: 0.6766270393377652 Energy: 0.6670838205250648 Energy: 0.6509063076820495 Energy: 0.6693367733520718 Energy: 0.6509063076812373 Energy: 0.6693367733532902 Energy: 0.6509063076788004 Energy: 0.6693367733541025 Energy: 0.6539648323030897 Energy: 0.6468087790664153 Energy: 0.6539648323034959 Energy: 0.6600343927588109 Energy: 0.6539648323030897 Energy: 0.6377327812523943 Energy: 0.6508835685179133 Energy: 0.6693069691237251 Energy: 0.650883568517101 Energy: 0.6693069691229128 Energy: 0.6508835685219748 Energy: 0.6693069691229128 Energy: 0.6766861355058789 Energy: 0.6667806647571807 Energy: 0.6766861355054727 Energy: 0.6667806647583991 Energy: 0.6766861355083158 Energy: 0.6667806647563683 Energy: 0.654338412074766 Energy: 0.6619087855038587 Energy: 0.6543384120743598 Energy: 0.6619087855042649 Energy: 0.6543384120743598 Energy: 0.6619087855038587 Energy: 0.5910108294842817 Energy: 0.7155575185053887 Energy: 0.5910108294859063 Energy: 0.7155575185053887 Energy: 0.5910108294814387 Energy: 0.715557518505795 Energy: 0.6731317643394117 Energy: 0.6277919577363813 Energy: 0.6731317643398178 Energy: 0.6277919577367874 Energy: 0.6731317643377871 Energy: 0.6277919577335381 Energy: 0.6452504754427129 Energy: 0.6316119139303107 Energy: 0.6452504754419005 Energy: 0.6316119139307168 Energy: 0.6452504754435251 Energy: 0.6316119139303107 Energy: 0.6544476645085383 Energy: 0.627007779086305 Energy: 0.654447664507726 Energy: 0.627007779086305 Energy: 0.6544476645085383 Energy: 0.6270077790858989 Energy: 0.7080320638640227 Energy: 0.6275404742765928 Energy: 0.7080320638644289 Energy: 0.6275404742765928 Energy: 0.7080320638640227 Energy: 0.6275404742765928 Energy: 0.5909016913331909 Energy: 0.7860221226558953 Energy: 0.5909016913327848 Energy: 0.7860221226558953 Energy: 0.5909016913327848 Energy: 0.7860221226558953 Energy: 0.6407374156608344 Energy: 0.6732706323451376 Energy: 0.6407374156628652 Energy: 0.6732706323451376 Energy: 0.6407374156608344 Energy: 0.67327063234595 Energy: 0.6577331669471752 Energy: 0.6774830826593751 Energy: 0.6577331669471752 Energy: 0.6774830826622182 Energy: 0.6577331669455506 Energy: 0.6774830826638429 Energy: 0.6504240591120892 Energy: 0.7131821377346352 Energy: 0.65042405911412 Energy: 0.7131821377293553 Energy: 0.6504240591104646 Energy: 0.7131821377297616 Energy: 0.641965504537646 Energy: 0.6405982554827185 Energy: 0.6419655045380521 Energy: 0.640598255483937 Energy: 0.6419655045380521 Energy: 0.6405982554835309 Energy: 0.6709071460703674 Energy: 0.6248371444956276 Energy: 0.6709071460715859 Energy: 0.6248371444956276 Energy: 0.6709071460699613 Energy: 0.6248371444952213 Energy: 0.6411864605809136 Energy: 0.6101132888715316 Energy: 0.6411864605772581 Energy: 0.6101132888719377 Energy: 0.6411864605837565 Energy: 0.6101132888719377 Energy: 0.5919895057925505 Energy: 0.6626788472176733 Energy: 0.5919895057929566 Energy: 0.6626788472176733 Energy: 0.5919895057941751 Energy: 0.6626788472176733 Energy: 0.7050329919670413 Energy: 0.6693466612251278 Energy: 0.705032991966229 Energy: 0.6693466612247216 Energy: 0.7050329919674475 Energy: 0.6693466612247216 Energy: 0.6423284483923734 Energy: 0.6164356701782321 Energy: 0.6423284483964349 Energy: 0.6164356701782321 Energy: 0.6423284483952164 Energy: 0.6164356701790443 Energy: 0.7040800244631671 Energy: 0.6306194255345516 Energy: 0.704080024462761 Energy: 0.6306194255345516 Energy: 0.704080024462761 Energy: 0.6306194255341455 Energy: 0.6428257079448678 Energy: 0.6096535469656773 Energy: 0.6428257079444617 Energy: 0.6096535469652712 Energy: 0.6428257079440555 Energy: 0.6096535469652712 Energy: 0.704836900769011 Energy: 0.669281844724738 Energy: 0.7048369007686048 Energy: 0.669281844724738 Energy: 0.704836900769011 Energy: 0.669281844724738 Energy: 0.592106814325769 Energy: 0.6881638761158092 Energy: 0.592106814325769 Energy: 0.688163876115403 Energy: 0.5921068143241445 Energy: 0.688163876115403 Energy: 0.6417108261373037 Energy: 0.6100964651446366 Energy: 0.6417108261340545 Energy: 0.6100964651442304 Energy: 0.6417108261425837 Energy: 0.6100964651442304 minimum gb energy = 0.5780595244706431 eV minimum distance = 2.37650879361243 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6473912127773487 Energy: 0.5853168766580208 Energy: 0.6473912127773487 Energy: 0.5853168766580208 Energy: 0.64739121277801 Energy: 0.5853168766580208 Energy: 0.6860482320563005 Energy: 0.5768089538754284 Energy: 0.6860482320596071 Energy: 0.5768089538760898 Energy: 0.6860482320582844 Energy: 0.5768089538760898 Energy: 0.691321757135073 Energy: 0.6237557746482136 Energy: 0.691321757133089 Energy: 0.6237557746488749 Energy: 0.6913217571363957 Energy: 0.6237557746488749 Energy: 0.5599440499192023 Energy: 0.6388361327213239 Energy: 0.5599440499198637 Energy: 0.6388361327213239 Energy: 0.5599440499198637 Energy: 0.6388361327213239 Energy: 0.5849420015005313 Energy: 0.5399924650653737 Energy: 0.5849420014965634 Energy: 0.5399924650660348 Energy: 0.5849420014919341 Energy: 0.5399924650660348 Energy: 0.6353787501532263 Energy: 0.576578756515325 Energy: 0.6353787501532263 Energy: 0.5765787565159863 Energy: 0.6353787501532263 Energy: 0.5765787565159863 Energy: 0.5551769692735883 Energy: 0.6177580252385619 Energy: 0.5551769692749109 Energy: 0.6177580252385619 Energy: 0.5551769692742496 Energy: 0.6177580252405458 Energy: 0.7499563745032785 Energy: 0.6015307053725343 Energy: 0.7499563745039397 Energy: 0.6015307053698891 Energy: 0.7499563745032785 Energy: 0.601530705375841 Energy: 0.5808485594870817 Energy: 0.5779230331924402 Energy: 0.5808485594870817 Energy: 0.5779230331924402 Energy: 0.5808485594857591 Energy: 0.5779230331924402 Energy: 0.5908171272544844 Energy: 0.5922155466261648 Energy: 0.5908171272544844 Energy: 0.5922155466268262 Energy: 0.5908171272531616 Energy: 0.5922155466261648 Energy: 0.5485954632869201 Energy: 0.6670708565019327 Energy: 0.5485954632862589 Energy: 0.667070856504578 Energy: 0.5485954632855975 Energy: 0.6670708565032554 Energy: 0.6058298283819042 Energy: 0.5539620241312633 Energy: 0.6058298283825656 Energy: 0.5539620241312633 Energy: 0.6058298283832269 Energy: 0.5539620241306019 Energy: 0.5887367601102981 Energy: 0.6270943766286858 Energy: 0.5887367601096367 Energy: 0.6270943766293472 Energy: 0.5887367601102981 Energy: 0.6270943766293472 Energy: 0.5576517537650146 Energy: 0.6139047978389505 Energy: 0.5576517537650146 Energy: 0.6139047978389505 Energy: 0.5576517537650146 Energy: 0.6139047978382892 Energy: 0.6523060271702052 Energy: 0.5875812797135247 Energy: 0.6523060271708666 Energy: 0.5875812797161699 Energy: 0.6523060271708666 Energy: 0.5875812797161699 Energy: 0.5882543752723483 Energy: 0.5840465009525871 Energy: 0.5882543752730096 Energy: 0.5840465009519258 Energy: 0.588254375273671 Energy: 0.5840465009519258 Energy: 0.6084756885503038 Energy: 0.6636896524770942 Energy: 0.6084756885503038 Energy: 0.6636896524770942 Energy: 0.6084756885489813 Energy: 0.6636896524770942 Energy: 0.624485657929346 Energy: 0.6403542161001311 Energy: 0.6244856579273621 Energy: 0.6403542160988085 Energy: 0.6244856579280234 Energy: 0.6403542160981472 Energy: 0.5674341057870022 Energy: 0.6941615714871714 Energy: 0.5674341057870022 Energy: 0.6941615714871714 Energy: 0.5674341057870022 Energy: 0.6941615714865101 Energy: 0.5600196414096323 Energy: 0.6329856639551883 Energy: 0.5600196414096323 Energy: 0.6329856639551883 Energy: 0.5600196414102936 Energy: 0.6329856639558495 Energy: 0.6205131087789466 Energy: 0.6176266807520813 Energy: 0.6205131087796079 Energy: 0.6176266807534039 Energy: 0.6205131087802692 Energy: 0.6176266807527425 Energy: 0.5475039813170195 Energy: 0.6992280937900911 Energy: 0.547503981318342 Energy: 0.6992280937900911 Energy: 0.547503981318342 Energy: 0.6992280937900911 Energy: 0.6063131081469572 Energy: 0.6056557471230458 Energy: 0.6063131081462958 Energy: 0.6056557471230458 Energy: 0.6063131081476184 Energy: 0.6056557471230458 Energy: 0.6092497003646355 Energy: 0.6977200374415983 Energy: 0.6092497003639742 Energy: 0.6977200374415983 Energy: 0.6092497003633129 Energy: 0.6977200374422595 Energy: 0.5991839365314081 Energy: 0.7455447968082956 Energy: 0.5991839365274403 Energy: 0.7455447968082956 Energy: 0.5991839365228111 Energy: 0.7455447968089569 Energy: 0.587659193150006 Energy: 0.6047610289659388 Energy: 0.5876591931486833 Energy: 0.6047610289652775 Energy: 0.5876591931493446 Energy: 0.6047610289659388 Energy: 0.557276091284601 Energy: 0.6946212773048922 Energy: 0.557276091286585 Energy: 0.6946212773048922 Energy: 0.5572760912852625 Energy: 0.6946212773048922 minimum gb energy = 0.5399924650653737 eV minimum distance = 2.33342112182952 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.564026092030457 Energy: 0.5297744759688829 Energy: 0.5640260920299752 Energy: 0.5297744759688829 Energy: 0.564026092030457 Energy: 0.5297744759688829 Energy: 0.5787456172757728 Energy: 0.5373266696999103 Energy: 0.5787456172757728 Energy: 0.5373266696999103 Energy: 0.5787456172757728 Energy: 0.5373266697003922 Energy: 0.599450877810261 Energy: 0.5397990571511325 Energy: 0.5994508778097792 Energy: 0.5397990571501688 Energy: 0.599450877810261 Energy: 0.5397990571501688 Energy: 0.538438696535258 Energy: 0.5528895450020667 Energy: 0.538438696535258 Energy: 0.5528895450020667 Energy: 0.538438696535258 Energy: 0.5528895450025485 Energy: 0.5770547547974374 Energy: 0.5117178122447293 Energy: 0.5770547547984011 Energy: 0.5117178122447293 Energy: 0.5770547547988829 Energy: 0.5117178122442475 Energy: 0.5428547145544532 Energy: 0.520305308190441 Energy: 0.5428547145539714 Energy: 0.520305308190441 Energy: 0.5428547145544532 Energy: 0.5203053081899591 Energy: 0.49507864666132095 Energy: 0.5372734088184263 Energy: 0.49507864666132095 Energy: 0.5372734088184263 Energy: 0.4950786466622847 Energy: 0.5372734088174625 Energy: 0.5730162033428463 Energy: 0.5022499975465333 Energy: 0.573016203340919 Energy: 0.5022499975465333 Energy: 0.5730162033399552 Energy: 0.5022499975465333 Energy: 0.5203159894818116 Energy: 0.5130783019081349 Energy: 0.5203159894822934 Energy: 0.5130783019081349 Energy: 0.5203159894822934 Energy: 0.513078301907653 Energy: 0.5806070006096753 Energy: 0.5113801406660858 Energy: 0.5806070006096753 Energy: 0.5113801406670496 Energy: 0.5806070006111209 Energy: 0.5113801406680132 Energy: 0.6262899846395362 Energy: 0.5614541110971175 Energy: 0.6262899846395362 Energy: 0.5614541110971175 Energy: 0.6262899846395362 Energy: 0.5614541110975992 Energy: 0.4942417669154299 Energy: 0.5145618398876148 Energy: 0.4942417669154299 Energy: 0.5145618398876148 Energy: 0.4942417669154299 Energy: 0.514561839887133 Energy: 0.5793144236963966 Energy: 0.49215328041395767 Energy: 0.5793144236963966 Energy: 0.4921532804134758 Energy: 0.5793144236954328 Energy: 0.49215328041395767 Energy: 0.6246201585586675 Energy: 0.6190904198564239 Energy: 0.6246201585591493 Energy: 0.6190904198564239 Energy: 0.6246201585586675 Energy: 0.6190904198564239 Energy: 0.5112905487766658 Energy: 0.5144234454407477 Energy: 0.5112905487752203 Energy: 0.5144234454407477 Energy: 0.511290548776184 Energy: 0.5144234454402659 Energy: 0.5448651855590653 Energy: 0.539554725550684 Energy: 0.5448651855590653 Energy: 0.5395547255516475 Energy: 0.5448651855590653 Energy: 0.5395547255511658 Energy: 0.5266568816480515 Energy: 0.6170975395439988 Energy: 0.5266568816470879 Energy: 0.617097539543517 Energy: 0.526656881646606 Energy: 0.6170975395439988 Energy: 0.5290588373441836 Energy: 0.5143500510919597 Energy: 0.5290588373446655 Energy: 0.5143500510924416 Energy: 0.5290588373441836 Energy: 0.5143500510919597 Energy: 0.4948679827756377 Energy: 0.5695045737123435 Energy: 0.49486798277515576 Energy: 0.5695045737128255 Energy: 0.4948679827756377 Energy: 0.5695045737123435 Energy: 0.543187897328276 Energy: 0.5627184110252401 Energy: 0.5431878973277943 Energy: 0.5627184110247582 Energy: 0.543187897328276 Energy: 0.5627184110247582 Energy: 0.5663213373336715 Energy: 0.5260049560615582 Energy: 0.5663213373331897 Energy: 0.5260049560615582 Energy: 0.5663213373327078 Energy: 0.52600495606204 Energy: 0.5381914540646823 Energy: 0.5734776622773874 Energy: 0.5381914540646823 Energy: 0.5734776622773874 Energy: 0.5381914540637187 Energy: 0.5734776622769054 Energy: 0.5419272251098622 Energy: 0.5729351601201598 Energy: 0.5419272251103441 Energy: 0.5729351601201598 Energy: 0.5419272251103441 Energy: 0.5729351601201598 Energy: 0.5986857710223824 Energy: 0.5242251081015785 Energy: 0.5986857710219006 Energy: 0.5242251081015785 Energy: 0.5986857710223824 Energy: 0.5242251081015785 Energy: 0.4947614917796202 Energy: 0.5614315771402146 Energy: 0.49476149178010204 Energy: 0.5614315771402146 Energy: 0.4947614917796202 Energy: 0.561431577139733 Energy: 0.5071702264478681 Energy: 0.5512520508944433 Energy: 0.5071702264478681 Energy: 0.551252050894925 Energy: 0.5071702264478681 Energy: 0.5512520508944433 Energy: 0.5472033961595062 Energy: 0.5072121083962275 Energy: 0.524590299232877 Energy: 0.5072121083962275 Energy: 0.5472033961595062 Energy: 0.5072121083962275 Energy: 0.488607035186823 Energy: 0.5579211399815405 Energy: 0.48860703518634124 Energy: 0.5579211399815405 Energy: 0.48860703518634124 Energy: 0.5579211399815405 Energy: 0.5073747824718418 Energy: 0.5185965001970619 Energy: 0.5073747824718418 Energy: 0.5185965001970619 Energy: 0.5073747824718418 Energy: 0.5185965001970619 Energy: 0.5071006444024342 Energy: 0.5579526186564957 Energy: 0.507100644402916 Energy: 0.5579526186560139 Energy: 0.5071006444024342 Energy: 0.557952618655532 Energy: 0.5008291308031738 Energy: 0.5605717287173326 Energy: 0.5008291308031738 Energy: 0.5605717287168508 Energy: 0.5008291308031738 Energy: 0.5605717287168508 Energy: 0.5076335946592148 Energy: 0.5002713046277882 Energy: 0.507633594658251 Energy: 0.5002713046277882 Energy: 0.507633594658251 Energy: 0.5002713046273064 Energy: 0.4914210431904526 Energy: 0.5610647839025239 Energy: 0.4914210431904526 Energy: 0.5610647839030057 Energy: 0.4914210431904526 Energy: 0.5610647839015603 Energy: 0.6268844191709393 Energy: 0.5609541168620205 Energy: 0.6268844191704576 Energy: 0.5609541168620205 Energy: 0.6268844191709393 Energy: 0.5609541168625022 Energy: 0.5283162718023925 Energy: 0.48650055049940116 Energy: 0.5283162718023925 Energy: 0.48650055049940116 Energy: 0.5283162718023925 Energy: 0.48650055049891927 Energy: 0.45562563236265546 Energy: 0.5592011971865419 Energy: 0.45562563236265546 Energy: 0.5592011971860601 Energy: 0.4556256323621737 Energy: 0.5592011971865419 minimum gb energy = 0.4556256323621737 eV minimum distance = 2.32598760345119 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.03652647837301575 Energy: 0.06639796502876188 Energy: 0.036526478374786134 Energy: 0.06639796502876188 Energy: 0.03652647837301575 Energy: 0.06639796502876188 Energy: 0.41737375394684073 Energy: 0.038099519592483325 Energy: 0.41737375394861104 Energy: 0.038099519592483325 Energy: 0.41737375394861104 Energy: 0.03809951959425371 Energy: 0.41736428874331516 Energy: 0.03763549571640451 Energy: 0.41736428874331516 Energy: 0.037635495714634135 Energy: 0.41736428874331516 Energy: 0.03763549571109336 Energy: 0.03652647837301575 Energy: 0.06639796502876188 Energy: 0.036526478374786134 Energy: 0.06639796502876188 Energy: 0.036526478374786134 Energy: 0.06639796502876188 Energy: 0.41737375394684073 Energy: 0.03809951959071294 Energy: 0.41737375394861104 Energy: 0.03809951959071294 Energy: 0.41737375394861104 Energy: 0.03809951959071294 Energy: 0.41736428874331516 Energy: 0.0376354957075526 Energy: 0.41736428874331516 Energy: 0.0376354957075526 Energy: 0.41736428874331516 Energy: 0.0376354957075526 Energy: 0.03652647837301575 Energy: 0.06639796502876188 Energy: 0.036526478374786134 Energy: 0.06639796502876188 Energy: 0.03652647837301575 Energy: 0.06639796502876188 Energy: 0.41737375394861104 Energy: 0.03809951959071294 Energy: 0.41737375394861104 Energy: 0.03809951959071294 Energy: 0.41737375394861104 Energy: 0.03809951959071294 Energy: 0.41736428874331516 Energy: 0.03763549572348603 Energy: 0.41736428874331516 Energy: 0.03763549571994527 Energy: 0.41736428874331516 Energy: 0.03763549571640451 Energy: 0.03652647837301575 Energy: 0.06639796502876188 Energy: 0.036526478374786134 Energy: 0.06639796502876188 Energy: 0.03652647837301575 Energy: 0.06639796502876188 minimum gb energy = 0.03652647837301575 eV minimum distance = 2.53159260976255 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.5437713081591325 Energy: 0.49022348070084953 Energy: 0.5437713081596623 Energy: 0.49022348070084953 Energy: 0.5437713081591325 Energy: 0.49022348070084953 Energy: 0.4762726754359684 Energy: 0.4779507204471195 Energy: 0.4762726754359684 Energy: 0.4779507204471195 Energy: 0.4762726754359684 Energy: 0.4779507204471195 Energy: 0.4936118981474086 Energy: 0.48671731795015694 Energy: 0.525837357102494 Energy: 0.48671731795015694 Energy: 0.4898439046895516 Energy: 0.48671731795015694 Energy: 0.48737869798647065 Energy: 0.47027256663539463 Energy: 0.48737869798647065 Energy: 0.47027256663539463 Energy: 0.4873786979859408 Energy: 0.4702725666348648 Energy: 0.4184938828640039 Energy: 0.4807112627945109 Energy: 0.41849388286506345 Energy: 0.4807112627955704 Energy: 0.4184938828655933 Energy: 0.4807112627950407 Energy: 0.49222919827462797 Energy: 0.49225893776106044 Energy: 0.49222919827515776 Energy: 0.49225893776156615 Energy: 0.49222919827462797 Energy: 0.49225893776156615 Energy: 0.4867522026859657 Energy: 0.47693273687501436 Energy: 0.48675220268543584 Energy: 0.47693273687501436 Energy: 0.48675220268543584 Energy: 0.47693273687501436 Energy: 0.41535687162732254 Energy: 0.4817907042521971 Energy: 0.4153568716267927 Energy: 0.4817907042521971 Energy: 0.41535687162732254 Energy: 0.4817907042521971 Energy: 0.5000304008115413 Energy: 0.495914321842547 Energy: 0.5000304008110114 Energy: 0.495914321842547 Energy: 0.5000304008120711 Energy: 0.495914321842547 Energy: 0.48680180227763536 Energy: 0.4454456516245751 Energy: 0.486801802278695 Energy: 0.4454456516245751 Energy: 0.486801802278695 Energy: 0.44544565162404526 Energy: 0.44255823958999446 Energy: 0.4819484833322958 Energy: 0.44255823958946466 Energy: 0.4819484833322958 Energy: 0.44255823958946466 Energy: 0.4819484833322958 Energy: 0.5126906562509584 Energy: 0.5186644742951722 Energy: 0.5126906562509584 Energy: 0.5186644742951722 Energy: 0.5126906562509584 Energy: 0.5186644742951722 Energy: 0.48991684635525434 Energy: 0.421760980437506 Energy: 0.48991684635472454 Energy: 0.42176098043697613 Energy: 0.48991684635472454 Energy: 0.421760980437506 Energy: 0.4628277585635773 Energy: 0.5073705464891092 Energy: 0.4628277585630474 Energy: 0.5073705464891092 Energy: 0.4628277585635773 Energy: 0.5073705464891092 Energy: 0.4901125259504784 Energy: 0.5038382739839294 Energy: 0.4901125259510081 Energy: 0.5038382739844591 Energy: 0.4901125259504784 Energy: 0.5038382739839294 Energy: 0.4935822671166623 Energy: 0.41692048024662176 Energy: 0.4935822671166623 Energy: 0.4169204802460919 Energy: 0.4935822671171921 Energy: 0.41692048024662176 Energy: 0.48682358046801 Energy: 0.5223396318164951 Energy: 0.48682358046801 Energy: 0.5223396318164951 Energy: 0.48682358046853974 Energy: 0.5223396318159653 Energy: 0.4945812896894248 Energy: 0.485090176647435 Energy: 0.4945812896888949 Energy: 0.485090176647435 Energy: 0.4945812896888949 Energy: 0.485090176647435 Energy: 0.4941942302529977 Energy: 0.4661182074078872 Energy: 0.4941942302529977 Energy: 0.4661182074078872 Energy: 0.4941942302529977 Energy: 0.4661182074078872 Energy: 0.38415643659550347 Energy: 0.5588563596052247 Energy: 0.38415643659444393 Energy: 0.5588563596052247 Energy: 0.38415643659391413 Energy: 0.5588563596052247 Energy: 0.5131370231658272 Energy: 0.47983577109612635 Energy: 0.5131370231652974 Energy: 0.4798357710955965 Energy: 0.5131370231658272 Energy: 0.4798357710955965 Energy: 0.48498608396849446 Energy: 0.4729720033737093 Energy: 0.4849860839690242 Energy: 0.4729720033737093 Energy: 0.48498608396849446 Energy: 0.4729720033737093 Energy: 0.4871609965798333 Energy: 0.4833635738362306 Energy: 0.48716099657930345 Energy: 0.4833635738362306 Energy: 0.48716099657877365 Energy: 0.4833635738362306 Energy: 0.49483004104028294 Energy: 0.4686498014030467 Energy: 0.49483004104028294 Energy: 0.4686498014030467 Energy: 0.49483004104028294 Energy: 0.4686498014035765 Energy: 0.49471588555028717 Energy: 0.49181259610129074 Energy: 0.49471588555028717 Energy: 0.49181259610076106 Energy: 0.49471588555028717 Energy: 0.49181259610076106 Energy: 0.4767533064901402 Energy: 0.49622064041606934 Energy: 0.47675330649067 Energy: 0.49622064041606934 Energy: 0.47675330649067 Energy: 0.49622064041553954 Energy: 0.547551797012875 Energy: 0.4166889933348159 Energy: 0.547551797012875 Energy: 0.4166889933353457 Energy: 0.547551797012875 Energy: 0.4166889933348159 Energy: 0.4908991306187176 Energy: 0.5035518421855283 Energy: 0.4908991306187176 Energy: 0.5035518421855283 Energy: 0.4908991306192474 Energy: 0.5035518421855283 Energy: 0.4638680702490935 Energy: 0.48942511510047426 Energy: 0.4638680702490935 Energy: 0.48942511510047426 Energy: 0.4638680702485637 Energy: 0.489425115101004 Energy: 0.5478240321806035 Energy: 0.4456604404411632 Energy: 0.5478240321806035 Energy: 0.4456604404411632 Energy: 0.5478240321806035 Energy: 0.445660440441693 Energy: 0.49786471636093155 Energy: 0.5002193964682408 Energy: 0.49786471636146135 Energy: 0.5002193964682408 Energy: 0.49786471636146135 Energy: 0.5002193964682408 Energy: 0.4428429449266123 Energy: 0.4900854144950145 Energy: 0.4428429449266123 Energy: 0.4900854144950145 Energy: 0.44284294492714205 Energy: 0.4900854144950145 Energy: 0.5012424209150216 Energy: 0.48711137138251076 Energy: 0.5012424209150216 Energy: 0.4871113713830406 Energy: 0.5012424209150216 Energy: 0.4871113713830406 minimum gb energy = 0.38415643659391413 eV minimum distance = 2.37721539744286 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.657148599912068 Energy: 0.5999581985148497 Energy: 0.657148599912068 Energy: 0.5999581985148497 Energy: 0.6571485999135777 Energy: 0.5999581985148497 Energy: 0.5969558793279814 Energy: 0.6037622955932079 Energy: 0.5969558793287363 Energy: 0.6037622955932079 Energy: 0.5969558793279814 Energy: 0.6037622955932079 Energy: 0.6271986582287146 Energy: 0.6215839502217526 Energy: 0.6271986582279597 Energy: 0.6215839502225076 Energy: 0.6271986582287146 Energy: 0.6215839502225076 Energy: 0.6363359400413097 Energy: 0.5989452539250297 Energy: 0.6363359400413097 Energy: 0.5989452539235199 Energy: 0.6363359400420645 Energy: 0.5989452539235199 Energy: 0.5363335159832965 Energy: 0.581768434617945 Energy: 0.5363335159848064 Energy: 0.581768434617945 Energy: 0.5363335159855612 Energy: 0.581768434617945 Energy: 0.6261440804857508 Energy: 0.617622494712912 Energy: 0.626144080484996 Energy: 0.617622494712912 Energy: 0.626144080484996 Energy: 0.617622494712912 Energy: 0.5859019087995104 Energy: 0.5816266774344266 Energy: 0.5859019088002654 Energy: 0.5816266774344266 Energy: 0.5859019087995104 Energy: 0.5816266774344266 Energy: 0.5795845127168383 Energy: 0.5756382003041144 Energy: 0.5795845127160834 Energy: 0.5756382003048692 Energy: 0.5795845127168383 Energy: 0.5756382003041144 Energy: 0.6436089223155642 Energy: 0.6527274788047198 Energy: 0.6436089223155642 Energy: 0.6527274788039649 Energy: 0.6436089223155642 Energy: 0.6527274788047198 Energy: 0.6097471783395664 Energy: 0.5481183903105599 Energy: 0.6097471783395664 Energy: 0.5481183903113149 Energy: 0.6097471783395664 Energy: 0.5481183903113149 Energy: 0.6051658631768375 Energy: 0.622953161516646 Energy: 0.6051658631760827 Energy: 0.6229531615174009 Energy: 0.6051658631775924 Energy: 0.622953161516646 Energy: 0.5899803665813628 Energy: 0.6194676646096113 Energy: 0.5899803665821176 Energy: 0.6194676646088565 Energy: 0.5899803665813628 Energy: 0.6194676646096113 Energy: 0.6093190312765434 Energy: 0.5883418146503081 Energy: 0.6093190312772984 Energy: 0.588341814651063 Energy: 0.6093190312780532 Energy: 0.588341814651063 Energy: 0.5945528353882984 Energy: 0.6217334827330318 Energy: 0.5945528353882984 Energy: 0.6217334827330318 Energy: 0.5945528353890533 Energy: 0.6217334827330318 Energy: 0.5971896877512373 Energy: 0.5925764147246185 Energy: 0.5971896877512373 Energy: 0.5925764147246185 Energy: 0.5971896877512373 Energy: 0.5925764147253735 Energy: 0.6328986927760998 Energy: 0.6018420509851157 Energy: 0.6328986927753448 Energy: 0.6018420509851157 Energy: 0.6328986927760998 Energy: 0.6018420509858704 Energy: 0.6150487061151378 Energy: 0.6272087340447527 Energy: 0.615048706113628 Energy: 0.6272087340439978 Energy: 0.615048706114383 Energy: 0.6272087340447527 Energy: 0.6117217737936257 Energy: 0.5817678218049944 Energy: 0.6117217737943805 Energy: 0.5817678218057493 Energy: 0.6117217737936257 Energy: 0.5817678218049944 Energy: 0.6135008834344451 Energy: 0.6302796716699122 Energy: 0.6135008834351999 Energy: 0.6302796716699122 Energy: 0.6135008834344451 Energy: 0.6302796716699122 Energy: 0.5396822782811121 Energy: 0.6231762474755294 Energy: 0.5396822782803573 Energy: 0.6231762474755294 Energy: 0.5396822782803573 Energy: 0.6231762474755294 Energy: 0.6457442111642052 Energy: 0.5859915427283423 Energy: 0.6457442111642052 Energy: 0.5859915427283423 Energy: 0.6457442111626954 Energy: 0.5859915427283423 Energy: 0.6417024809474658 Energy: 0.6552439279199965 Energy: 0.6417024809482207 Energy: 0.6552439279199965 Energy: 0.6417024809482207 Energy: 0.6552439279199965 Energy: 0.5416737046340889 Energy: 0.6226444928883397 Energy: 0.5416737046333341 Energy: 0.6226444928875846 Energy: 0.5416737046333341 Energy: 0.6226444928890945 minimum gb energy = 0.5363335159832965 eV minimum distance = 2.38765339512949 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.7342518172852038 Energy: 0.6680516859875741 Energy: 0.7342518172852038 Energy: 0.668051685988053 Energy: 0.7342518172847249 Energy: 0.668051685988053 Energy: 0.6701566370192203 Energy: 0.6919550109276296 Energy: 0.6701566370187414 Energy: 0.6919550109281084 Energy: 0.6701566370192203 Energy: 0.6919550109276296 Energy: 0.7099333963976251 Energy: 0.6926300862709172 Energy: 0.709933396398104 Energy: 0.6926300862709172 Energy: 0.7099333963976251 Energy: 0.6926300862709172 Energy: 0.710050269399406 Energy: 0.6837947350215661 Energy: 0.710050269399406 Energy: 0.6837947350215661 Energy: 0.7100502693998849 Energy: 0.6837947350215661 Energy: 0.67880311884576 Energy: 0.6839181824334288 Energy: 0.678803118845281 Energy: 0.6839181824334288 Energy: 0.6788031188462389 Energy: 0.6839181824329499 Energy: 0.750797857170088 Energy: 0.7013155300544529 Energy: 0.750797857170088 Energy: 0.7355042646066983 Energy: 0.7507978571696092 Energy: 0.7226168414876233 Energy: 0.6723335627016945 Energy: 0.651320661426732 Energy: 0.6723335627016945 Energy: 0.651320661426732 Energy: 0.6723335627012157 Energy: 0.6513206614262532 Energy: 0.7064143178874874 Energy: 0.7051990728916914 Energy: 0.7064143178874874 Energy: 0.7051990728916914 Energy: 0.7064143178870086 Energy: 0.7051990728916914 Energy: 0.6858832569554322 Energy: 0.7134917658950504 Energy: 0.6858832569549533 Energy: 0.7134917658955293 Energy: 0.6858832569554322 Energy: 0.7134917658955293 Energy: 0.7263409435341778 Energy: 0.6902473744653286 Energy: 0.7263409435341778 Energy: 0.690247374463892 Energy: 0.72634094353322 Energy: 0.6723628545303999 Energy: 0.705493915414239 Energy: 0.6921506199591096 Energy: 0.705493915414239 Energy: 0.6921506199591096 Energy: 0.705493915414718 Energy: 0.6921506199591096 Energy: 0.670895582893161 Energy: 0.6750818528413893 Energy: 0.6708955828936398 Energy: 0.6750818528413893 Energy: 0.6708955828941188 Energy: 0.6750818528413893 Energy: 0.7276955168457283 Energy: 0.6725422451334967 Energy: 0.7276955168442916 Energy: 0.6725422451339756 Energy: 0.7276955168457283 Energy: 0.6725422451339756 Energy: 0.6741797171307979 Energy: 0.6956176034182646 Energy: 0.6741797171312769 Energy: 0.6956176034187435 Energy: 0.6741797171312769 Energy: 0.6956176034187435 Energy: 0.6972835935806334 Energy: 0.6843006080133965 Energy: 0.6972835935801545 Energy: 0.6843006080143542 Energy: 0.6972835935806334 Energy: 0.6843006080138754 Energy: 0.7093608472369349 Energy: 0.7092476945994491 Energy: 0.7093608472383716 Energy: 0.7092476945994491 Energy: 0.7093608472369349 Energy: 0.7092476945994491 Energy: 0.6278812484036155 Energy: 0.6937042783002146 Energy: 0.6278812484036155 Energy: 0.6937042783002146 Energy: 0.6278812484045733 Energy: 0.6937042783002146 Energy: 0.7295518773385623 Energy: 0.7472360714160119 Energy: 0.7295518773385623 Energy: 0.7472360714160119 Energy: 0.7295518773385623 Energy: 0.7472360714160119 Energy: 0.6642298299989875 Energy: 0.716821879136881 Energy: 0.6642298299985087 Energy: 0.716821879136881 Energy: 0.6642298299989875 Energy: 0.716821879136881 Energy: 0.6732722370142679 Energy: 0.6942562666896875 Energy: 0.6732722370142679 Energy: 0.6942562666901663 Energy: 0.6732722370147467 Energy: 0.6942562666901663 Energy: 0.706753198626428 Energy: 0.7097569960244455 Energy: 0.706753198626907 Energy: 0.7097569960244455 Energy: 0.706753198626907 Energy: 0.7097569960244455 Energy: 0.6895935340269523 Energy: 0.6610885865070502 Energy: 0.6895935340274312 Energy: 0.6610885865070502 Energy: 0.6895935340269523 Energy: 0.6610885865070502 Energy: 0.6919908347319426 Energy: 0.6920668665709414 Energy: 0.6919908347319426 Energy: 0.6920668665704625 Energy: 0.6919908347319426 Energy: 0.6920668665709414 Energy: 0.7245014562377678 Energy: 0.6710595315611856 Energy: 0.7245014562377678 Energy: 0.6710595315611856 Energy: 0.7245014562377678 Energy: 0.6710595315611856 Energy: 0.67048184613794 Energy: 0.6706090821030511 Energy: 0.670481846138419 Energy: 0.6706090821025722 Energy: 0.6704818461374611 Energy: 0.6706090821030511 Energy: 0.6981260823768135 Energy: 0.7050419941587722 Energy: 0.6981260823768135 Energy: 0.7050419941582934 Energy: 0.6981260823768135 Energy: 0.7050419941582934 Energy: 0.6717606497324251 Energy: 0.6614814851038532 Energy: 0.6717606497319462 Energy: 0.6614814851038532 Energy: 0.6717606497324251 Energy: 0.6614814851038532 Energy: 0.7098969693597412 Energy: 0.7387447258407572 Energy: 0.7098969693597412 Energy: 0.7387447258412361 Energy: 0.7098969693597412 Energy: 0.7387447258407572 Energy: 0.667818837025482 Energy: 0.6904015489820433 Energy: 0.6678188370264397 Energy: 0.6904015489820433 Energy: 0.667818837027833 Energy: 0.6904015489820433 Energy: 0.6639426225992243 Energy: 0.6484495020913649 Energy: 0.6639426225997033 Energy: 0.6484495020913649 Energy: 0.6639426225997033 Energy: 0.6484495020918437 Energy: 0.7498623155787595 Energy: 0.7368150901424185 Energy: 0.7498623155792384 Energy: 0.7368150901428975 Energy: 0.7498623155792384 Energy: 0.7368150901428975 Energy: 0.6408244891099082 Energy: 0.6936437571326561 Energy: 0.6408244891075137 Energy: 0.6936437571326561 Energy: 0.6408244891079926 Energy: 0.6936437571326561 Energy: 0.7121941876491757 Energy: 0.7073392074091536 Energy: 0.7121941876491757 Energy: 0.7073392074101112 Energy: 0.7121941876491757 Energy: 0.7073392074101112 Energy: 0.6938342691066833 Energy: 0.6863651476140347 Energy: 0.6938342691071622 Energy: 0.6863651476140347 Energy: 0.6938342691071622 Energy: 0.6863651476145136 Energy: 0.6706079367518769 Energy: 0.6933589228021209 Energy: 0.670607936751398 Energy: 0.6933589228021209 Energy: 0.6706079367518769 Energy: 0.6933589228021209 Energy: 0.7226965912755271 Energy: 0.6694560025214734 Energy: 0.7226965912764849 Energy: 0.6694560025214734 Energy: 0.7226965912755271 Energy: 0.6694560025214734 Energy: 0.6726572957406312 Energy: 0.6841873347203502 Energy: 0.6726572957411099 Energy: 0.6841873347203502 Energy: 0.6726572957401522 Energy: 0.6841873347203502 minimum gb energy = 0.6278812484036155 eV minimum distance = 2.35914082081046 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8364433170032104 Energy: 0.806041492397655 Energy: 0.8364433170032104 Energy: 0.806041492397655 Energy: 0.8364433170032104 Energy: 0.806041492397655 Energy: 0.7863637925072569 Energy: 0.8031952644963363 Energy: 0.7863637925072569 Energy: 0.8031952644976438 Energy: 0.7863637925072569 Energy: 0.8031952644976438 Energy: 0.8407723620455343 Energy: 0.7996500046166588 Energy: 0.9067806266896479 Energy: 0.7996500046166588 Energy: 0.8727613725711768 Energy: 0.7996500046166588 Energy: 0.829954633110949 Energy: 0.8217179071618272 Energy: 0.829954633110949 Energy: 0.8217179071618272 Energy: 0.829954633110949 Energy: 0.8217179071618272 Energy: 0.7756658820055286 Energy: 0.7968306253459148 Energy: 0.775665882004221 Energy: 0.7968306253459148 Energy: 0.775665882004221 Energy: 0.7968306253459148 Energy: 0.8962827751137771 Energy: 0.8606253572546252 Energy: 0.8962827751137771 Energy: 0.8606253572546252 Energy: 0.8962827751137771 Energy: 0.8606253572546252 Energy: 0.8275000212260705 Energy: 0.7645534551980269 Energy: 0.827500021227378 Energy: 0.7645534551980269 Energy: 0.8275000212260705 Energy: 0.7645534551980269 Energy: 0.8344544187621232 Energy: 0.8041108311805691 Energy: 0.8344544187621232 Energy: 0.8041108311805691 Energy: 0.8344544187621232 Energy: 0.8041108311805691 Energy: 0.7262360157285455 Energy: 0.7862733635537286 Energy: 0.7262360157285455 Energy: 0.7862733635537286 Energy: 0.7262360157285455 Energy: 0.7862733635537286 Energy: 0.8299122603940675 Energy: 0.8129754556603789 Energy: 0.8299122603953751 Energy: 0.8129754556603789 Energy: 0.8299122603953751 Energy: 0.8129754556603789 Energy: 0.7388621095896798 Energy: 0.8002324519908831 Energy: 0.7388621095883723 Energy: 0.8002324519908831 Energy: 0.7388621095883723 Energy: 0.8002324519908831 Energy: 0.784763214724356 Energy: 0.8034287338314043 Energy: 0.784763214724356 Energy: 0.8034287338314043 Energy: 0.784763214724356 Energy: 0.8034287338314043 Energy: 0.7371252999496467 Energy: 0.8384886718246038 Energy: 0.7371252999496467 Energy: 0.8384886718246038 Energy: 0.7371252999496467 Energy: 0.8384886718246038 Energy: 0.7809623309211272 Energy: 0.8042126739410137 Energy: 0.7809623309211272 Energy: 0.8042126739410137 Energy: 0.7809623309198197 Energy: 0.8042126739410137 minimum gb energy = 0.7262360157285455 eV minimum distance = 2.34220114656667 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.9942610380000096 Energy: 0.9516692244390602 Energy: 0.9942610380005841 Energy: 0.9516692244390602 Energy: 0.9942610380000096 Energy: 0.9516692244390602 Energy: 0.8736803517095353 Energy: 0.9074002621378144 Energy: 0.8736803517083865 Energy: 0.9074002621378144 Energy: 0.8736803517095353 Energy: 0.9074002621378144 Energy: 0.9710924359431992 Energy: 0.9151944266862061 Energy: 0.9451972730968348 Energy: 0.9151944266862061 Energy: 0.9710924359454965 Energy: 0.9151944266862061 Energy: 0.9190025028310224 Energy: 0.8740641611894971 Energy: 0.919002502830448 Energy: 0.8740641611894971 Energy: 0.919002502830448 Energy: 0.8740641611894971 Energy: 0.9324097548348184 Energy: 0.903530982698501 Energy: 0.9324097548330953 Energy: 0.903530982698501 Energy: 0.9324097548313721 Energy: 0.9035309826990753 Energy: 0.9043525174189384 Energy: 0.9413172184747868 Energy: 0.9043525174189384 Energy: 0.9413172184742123 Energy: 0.9043525174189384 Energy: 0.9413172184742123 Energy: 0.9158610611213069 Energy: 0.8985884992527297 Energy: 0.9158610611213069 Energy: 0.8985884992527297 Energy: 0.9158610611218813 Energy: 0.8985884992527297 Energy: 0.9083759635462276 Energy: 0.9130793992488015 Energy: 0.9083759635462276 Energy: 0.9130793992488015 Energy: 0.9083759635468021 Energy: 0.9130793992488015 Energy: 0.9245538115104511 Energy: 0.9068970766920301 Energy: 0.9245538115104511 Energy: 0.9068970766920301 Energy: 0.9245538115098768 Energy: 0.9068970766920301 Energy: 0.908278153713887 Energy: 0.921400047903451 Energy: 0.9082781537133126 Energy: 0.9214000479040252 Energy: 0.9082781537133126 Energy: 0.9214000479040252 Energy: 0.9039740892840994 Energy: 0.9109500375462882 Energy: 0.9039740892840994 Energy: 0.9109500375457138 Energy: 0.9039740892840994 Energy: 0.9109500375462882 Energy: 0.9215548962341659 Energy: 0.9274668737433835 Energy: 0.9215548962330171 Energy: 0.9274668737433835 Energy: 0.9215548962341659 Energy: 0.9274668737433835 Energy: 0.9229346225475983 Energy: 0.8946485492479986 Energy: 0.9229346225475983 Energy: 0.8946485492479986 Energy: 0.9229346225475983 Energy: 0.8946485492479986 Energy: 0.914849583521495 Energy: 0.9216954975468901 Energy: 0.9148495835209208 Energy: 0.9216954975474645 Energy: 0.914849583521495 Energy: 0.9216954975468901 Energy: 0.9015221980540886 Energy: 0.9151433822616746 Energy: 0.9015221980540886 Energy: 0.9151433822616746 Energy: 0.9015221980540886 Energy: 0.9151433822616746 Energy: 0.9168416969052006 Energy: 0.897740037772244 Energy: 0.9168416969052006 Energy: 0.8977400377733928 Energy: 0.9168416969052006 Energy: 0.8977400377728184 Energy: 0.885135316690743 Energy: 0.9136230113162148 Energy: 0.885135316690743 Energy: 0.9136230113162148 Energy: 0.885135316690743 Energy: 0.9136230113162148 Energy: 0.9458860163430647 Energy: 0.9288206964069718 Energy: 0.9458860163430647 Energy: 0.9288206964081206 Energy: 0.9458860163430647 Energy: 0.9288206964069718 Energy: 0.8957400166081965 Energy: 0.8591893069350197 Energy: 0.8957400166081965 Energy: 0.8591893069350197 Energy: 0.8957400166081965 Energy: 0.8591893069350197 Energy: 0.9051789598637627 Energy: 0.9078957413331649 Energy: 0.9051789598649116 Energy: 0.9078957413337393 Energy: 0.9051789598643372 Energy: 0.9078957413331649 Energy: 0.8891043211768472 Energy: 0.8984512910503347 Energy: 0.8891043211774216 Energy: 0.8984512910497603 Energy: 0.8891043211774216 Energy: 0.8984512910503347 Energy: 0.9551427892360703 Energy: 0.9415090667886418 Energy: 0.9551427892360703 Energy: 0.9415090667886418 Energy: 0.9551427892354961 Energy: 0.9415090667886418 Energy: 0.9114616851272077 Energy: 0.9150835704954826 Energy: 0.9114616851272077 Energy: 0.9150835704954826 Energy: 0.9114616851272077 Energy: 0.9150835704954826 Energy: 0.9442040243639506 Energy: 0.9138384989072874 Energy: 0.9442040243639506 Energy: 0.9138384989078618 Energy: 0.944204024364525 Energy: 0.9138384989072874 Energy: 0.9088166215711005 Energy: 0.9071383134053157 Energy: 0.9088166215711005 Energy: 0.90713831340589 Energy: 0.908816621571675 Energy: 0.90713831340589 Energy: 0.8920992125091477 Energy: 0.9069165791033534 Energy: 0.8920992125097221 Energy: 0.9069165791033534 Energy: 0.8920992125091477 Energy: 0.9069165791033534 Energy: 0.8946813576900616 Energy: 0.9318766935004645 Energy: 0.8946813576900616 Energy: 0.9318766934993158 Energy: 0.8946813576900616 Energy: 0.9318766934947207 Energy: 0.9203955759500903 Energy: 0.9016262433384319 Energy: 0.9203955759500903 Energy: 0.9016262433384319 Energy: 0.9203955759500903 Energy: 0.9016262433378576 Energy: 0.91596135652186 Energy: 0.9236744399798679 Energy: 0.91596135652186 Energy: 0.9236744399798679 Energy: 0.91596135652186 Energy: 0.9236744399798679 Energy: 0.9043534068524903 Energy: 0.86652302470682 Energy: 0.9043534068519161 Energy: 0.86652302470682 Energy: 0.9043534068519161 Energy: 0.86652302470682 Energy: 0.9079662934301765 Energy: 0.9511765457619686 Energy: 0.9079662934301765 Energy: 0.9511765457613942 Energy: 0.9079662934301765 Energy: 0.9511765457613942 minimum gb energy = 0.8591893069350197 eV minimum distance = 2.31919604277553 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8897220707317606 Energy: 0.885283792169657 Energy: 0.8897220707317606 Energy: 0.885283792169657 Energy: 0.8897220707317606 Energy: 0.885283792169657 Energy: 0.9286796354369684 Energy: 0.9083233874083163 Energy: 0.9286796354359462 Energy: 0.9083233874083163 Energy: 0.9286796354359462 Energy: 0.9083233874083163 Energy: 0.9355622759698996 Energy: 0.9126635842847384 Energy: 0.9355622759678554 Energy: 0.9126635842847384 Energy: 0.9355622759698996 Energy: 0.9126635842847384 Energy: 0.8940268713415085 Energy: 0.8580067371704617 Energy: 0.8940268713415085 Energy: 0.9394539037145402 Energy: 0.8940268713415085 Energy: 0.8676021372951069 Energy: 0.9355415699337212 Energy: 0.9126750996163057 Energy: 0.9355415699357656 Energy: 0.9126750996163057 Energy: 0.9355415699347435 Energy: 0.9126750996163057 Energy: 0.9284253373046715 Energy: 0.8769695712956006 Energy: 0.9284253373046715 Energy: 0.8769695712966229 Energy: 0.9284253373046715 Energy: 0.8769695712966229 Energy: 0.8897220707338046 Energy: 0.885283792169657 Energy: 0.8897220707338046 Energy: 0.885283792169657 Energy: 0.8897220707327825 Energy: 0.885283792169657 Energy: 0.9286796354369684 Energy: 0.9083233874083163 Energy: 0.9286796354369684 Energy: 0.9083233874083163 Energy: 0.9286796354369684 Energy: 0.9083233874083163 Energy: 0.9355622759698996 Energy: 0.9126635842857606 Energy: 0.9355622759698996 Energy: 0.9126635842857606 Energy: 0.9355622759709217 Energy: 0.9126635842857606 Energy: 0.8940268713404864 Energy: 0.8580067371673953 Energy: 0.8940268713404864 Energy: 0.939453903713518 Energy: 0.8940268713404864 Energy: 0.8676021372940848 Energy: 0.9355415699357656 Energy: 0.9126750996152835 Energy: 0.9355415699357656 Energy: 0.9126750996152835 Energy: 0.9355415699347435 Energy: 0.9126750996152835 Energy: 0.9284253373056937 Energy: 0.8769695712966229 Energy: 0.9284253373056937 Energy: 0.8769695712956006 Energy: 0.9284253373056937 Energy: 0.8769695712966229 Energy: 0.8897220707317606 Energy: 0.885283792169657 Energy: 0.8897220707317606 Energy: 0.8852837921686347 Energy: 0.8897220707317606 Energy: 0.885283792169657 Energy: 0.9286796354359462 Energy: 0.9083233874083163 Energy: 0.9286796354359462 Energy: 0.9083233874083163 Energy: 0.9286796354359462 Energy: 0.9083233874083163 Energy: 0.9355622759698996 Energy: 0.9126635842847384 Energy: 0.9355622759698996 Energy: 0.9126635842847384 Energy: 0.9355622759688774 Energy: 0.9126635842847384 Energy: 0.8940268713415085 Energy: 0.8580067371714839 Energy: 0.8940268713415085 Energy: 0.9030457501682208 Energy: 0.8940268713415085 Energy: 0.8831769692738662 Energy: 0.9355415699347435 Energy: 0.9126750996163057 Energy: 0.9355415699347435 Energy: 0.9126750996163057 Energy: 0.9355415699337212 Energy: 0.9126750996163057 minimum gb energy = 0.8580067371673953 eV minimum distance = 2.34024951871261 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9775616183596215 Energy: 0.9161366781190257 Energy: 0.9775616183604561 Energy: 0.9161366781190257 Energy: 0.9775616183596215 Energy: 0.9161366781173564 Energy: 0.9473594931698368 Energy: 0.9150281405124635 Energy: 0.9473594931698368 Energy: 0.9150281405124635 Energy: 0.9473594931698368 Energy: 0.9150281405124635 Energy: 0.9384044177674211 Energy: 0.9412861743283228 Energy: 0.9384044177674211 Energy: 0.9412861743283228 Energy: 0.9384044177674211 Energy: 0.9412861743283228 Energy: 0.9230826684888335 Energy: 0.9883562488657256 Energy: 0.9230826684888335 Energy: 0.9883562488657256 Energy: 0.9230826684888335 Energy: 0.9883562488657256 Energy: 0.9488985406542475 Energy: 0.9434495614832796 Energy: 0.948898540655082 Energy: 0.9434495614832796 Energy: 0.9488985406542475 Energy: 0.9434495614824452 Energy: 0.9504506906939679 Energy: 0.9454290480094627 Energy: 0.9504506906931334 Energy: 0.9454290480094627 Energy: 0.9504506906939679 Energy: 0.9454290480094627 Energy: 0.9348845231111877 Energy: 0.9487307731404094 Energy: 0.9348845231103533 Energy: 0.9487307731420787 Energy: 0.9348845231111877 Energy: 0.948730773141244 Energy: 0.9337257037952209 Energy: 0.9691725145719728 Energy: 0.9337257037952209 Energy: 0.9691725145719728 Energy: 0.9337257037952209 Energy: 0.9691725145719728 Energy: 0.9989437004370344 Energy: 0.9600459973130575 Energy: 0.9989437004361997 Energy: 0.9600459973122228 Energy: 0.9989437004361997 Energy: 0.9600459973130575 Energy: 0.9381026160993151 Energy: 0.932924932644719 Energy: 0.9381026160993151 Energy: 0.932924932644719 Energy: 0.9381026160993151 Energy: 0.932924932644719 Energy: 0.9281771420569784 Energy: 0.9462837733462449 Energy: 0.9281771420569784 Energy: 0.9462837733470795 Energy: 0.9281771420569784 Energy: 0.9462837733462449 Energy: 0.9645973595199494 Energy: 0.9538679818794567 Energy: 0.9645973595182803 Energy: 0.9538679818794567 Energy: 0.9645973595166111 Energy: 0.9538679818794567 Energy: 0.9299625884692102 Energy: 0.968249941094238 Energy: 0.929962588470045 Energy: 0.968249941094238 Energy: 0.9299625884692102 Energy: 0.968249941094238 Energy: 0.9313340551241167 Energy: 0.93394022843188 Energy: 0.9313340551241167 Energy: 0.93394022843188 Energy: 0.9313340551241167 Energy: 0.9339402284310454 Energy: 0.9547735815297158 Energy: 0.9454400409965241 Energy: 0.9547735815297158 Energy: 0.9454400409965241 Energy: 0.9547735815297158 Energy: 0.9454400409965241 Energy: 0.9779196424743739 Energy: 0.9442112187924674 Energy: 0.9779196424743739 Energy: 0.9442112187924674 Energy: 0.9779196424752084 Energy: 0.9442112187924674 Energy: 0.9599882392641004 Energy: 0.9445336457593158 Energy: 0.9599882392615966 Energy: 0.9445336457593158 Energy: 0.9599882392632657 Energy: 0.9445336457593158 Energy: 1.0310396225114935 Energy: 0.9391821319700249 Energy: 1.0310396225114935 Energy: 0.9391821319700249 Energy: 1.0310396225106588 Energy: 0.9391821319700249 Energy: 0.9275297002592658 Energy: 0.9381090255543142 Energy: 0.9275297002601005 Energy: 0.9381090255543142 Energy: 0.9275297002592658 Energy: 0.9381090255543142 Energy: 0.9375328189335875 Energy: 0.9156810902264304 Energy: 0.9375328189335875 Energy: 0.9156810902264304 Energy: 0.9375328189335875 Energy: 0.9156810902264304 Energy: 0.9883653955227012 Energy: 0.9543374580021704 Energy: 0.9883653955227012 Energy: 0.9543374580021704 Energy: 0.9883653955227012 Energy: 0.9543374580021704 minimum gb energy = 0.9150281405124635 eV minimum distance = 2.31770964875833 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.9604920692613071 Energy: 0.8961566064969145 Energy: 0.9604920692613071 Energy: 0.8961566064969145 Energy: 0.9604920692620106 Energy: 0.8961566064969145 Energy: 0.9271354430202587 Energy: 0.9035316433933042 Energy: 0.9271354430202587 Energy: 0.9035316433933042 Energy: 0.9271354430202587 Energy: 0.9035316433933042 Energy: 0.907130612972668 Energy: 0.9109099261508271 Energy: 0.9071306129712609 Energy: 0.9109099261508271 Energy: 0.9071306129719644 Energy: 0.9109099261508271 Energy: 0.9063182666391267 Energy: 0.9035587462688622 Energy: 0.9063182666398303 Energy: 0.9035587462688622 Energy: 0.9063182666398303 Energy: 0.9035587462688622 Energy: 0.9053123343854328 Energy: 0.8602734113289207 Energy: 0.9053123343847292 Energy: 0.8602734113289207 Energy: 0.9053123343847292 Energy: 0.8602734113289207 Energy: 0.8539158367531646 Energy: 0.9255392732283564 Energy: 0.8539158367524613 Energy: 0.9255392732276531 Energy: 0.8539158367524613 Energy: 0.9255392732283564 Energy: 0.9223254861501813 Energy: 0.9139048076522124 Energy: 0.9223254861508846 Energy: 0.9139048076522124 Energy: 0.9223254861494777 Energy: 0.9139048076522124 Energy: 0.9362701038889119 Energy: 0.9076314285943899 Energy: 0.9362701038889119 Energy: 0.9076314285943899 Energy: 0.9362701038889119 Energy: 0.9076314285943899 Energy: 0.8987267497115272 Energy: 0.9257917414800164 Energy: 0.8987267497115272 Energy: 0.9257917414800164 Energy: 0.8987267497122308 Energy: 0.9257917414800164 Energy: 0.9066760307358578 Energy: 0.9014625402840822 Energy: 0.9066760307358578 Energy: 0.9014625402840822 Energy: 0.9066760307358578 Energy: 0.9014625402840822 Energy: 0.9063215997328294 Energy: 0.9079871913278313 Energy: 0.9063215997321261 Energy: 0.9079871913278313 Energy: 0.9063215997321261 Energy: 0.9079871913278313 Energy: 0.9122473369911467 Energy: 0.9235002162388253 Energy: 0.9122473369911467 Energy: 0.9235002162395288 Energy: 0.9122473369911467 Energy: 0.9235002162388253 Energy: 0.9452644607977604 Energy: 0.9340226234268302 Energy: 0.9452644607977604 Energy: 0.9340226234268302 Energy: 0.9452644607977604 Energy: 0.9340226234268302 Energy: 0.9221399275043844 Energy: 0.8973856875754516 Energy: 0.9221399275043844 Energy: 0.897385687574748 Energy: 0.922139927505088 Energy: 0.897385687574748 Energy: 0.8560508957186072 Energy: 0.9259785125796076 Energy: 0.8560508957179036 Energy: 0.9259785125789042 Energy: 0.8560508957172003 Energy: 0.9259785125789042 Energy: 0.9049752662883317 Energy: 0.861642292721234 Energy: 0.9049752662883317 Energy: 0.861642292721234 Energy: 0.9049752662883317 Energy: 0.861642292721234 Energy: 0.91819737978343 Energy: 0.9092656482526638 Energy: 0.91819737978343 Energy: 0.9092656482526638 Energy: 0.9181973797841335 Energy: 0.9092656482526638 Energy: 0.9025255826022741 Energy: 0.902860981070569 Energy: 0.9025255826022741 Energy: 0.9028609810712724 Energy: 0.9025255826022741 Energy: 0.9028609810712724 Energy: 0.8936625701308568 Energy: 0.9042868516578632 Energy: 0.8936625701308568 Energy: 0.9042868516578632 Energy: 0.8936625701301532 Energy: 0.9042868516571596 Energy: 0.9604920692591967 Energy: 0.8961566064997285 Energy: 0.9604920692591967 Energy: 0.896156606500432 Energy: 0.9604920692591967 Energy: 0.896156606500432 Energy: 0.9271354430181483 Energy: 0.903531643397525 Energy: 0.9271354430174449 Energy: 0.903531643397525 Energy: 0.9271354430181483 Energy: 0.903531643397525 Energy: 0.9071306129719644 Energy: 0.91090992614942 Energy: 0.9071306129719644 Energy: 0.9109099261501235 Energy: 0.9071306129719644 Energy: 0.9109099261501235 Energy: 0.9063182666363128 Energy: 0.9035587462688622 Energy: 0.9063182666377197 Energy: 0.9035587462688622 Energy: 0.9063182666370163 Energy: 0.9035587462688622 Energy: 0.9053123343868398 Energy: 0.8602734113310311 Energy: 0.9053123343875432 Energy: 0.8602734113310311 Energy: 0.9053123343868398 Energy: 0.8602734113310311 Energy: 0.8539158367517578 Energy: 0.9255392732297635 Energy: 0.8539158367517578 Energy: 0.9255392732297635 Energy: 0.8539158367524613 Energy: 0.9255392732297635 minimum gb energy = 0.8539158367517578 eV minimum distance = 2.33666686663296 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9145752525321119 Energy: 0.9167290347911242 Energy: 0.9145752525321119 Energy: 0.9167290347911242 Energy: 0.9145752525315046 Energy: 0.9167290347911242 Energy: 0.9078562383680101 Energy: 0.891541164812311 Energy: 0.9078562383680101 Energy: 0.891541164812311 Energy: 0.9078562383680101 Energy: 0.891541164812311 Energy: 0.9119474778351908 Energy: 0.8699980485716714 Energy: 0.9119474778351908 Energy: 0.8699980485716714 Energy: 0.9119474778351908 Energy: 0.8699980485716714 Energy: 0.8806432994839304 Energy: 0.9081225274402367 Energy: 0.8806432994839304 Energy: 0.9081225274414512 Energy: 0.8806432994839304 Energy: 0.9081225274414512 Energy: 0.8947130140218906 Energy: 0.906861708245526 Energy: 0.8947130140218906 Energy: 0.906861708245526 Energy: 0.8947130140224979 Energy: 0.906861708245526 Energy: 0.9023200929831728 Energy: 0.8883082954016086 Energy: 0.9023200929831728 Energy: 0.8883082954022159 Energy: 0.9023200929831728 Energy: 0.8883082954022159 Energy: 0.865247269544992 Energy: 0.9238773916534685 Energy: 0.8652472695443849 Energy: 0.923877391654683 Energy: 0.865247269544992 Energy: 0.9238773916534685 Energy: 0.8913291092678814 Energy: 0.9427846314072486 Energy: 0.8913291092684889 Energy: 0.9427846314072486 Energy: 0.8913291092684889 Energy: 0.9427846314072486 Energy: 0.9538071041907381 Energy: 0.8681824814654092 Energy: 0.9538071041907381 Energy: 0.8681824814648018 Energy: 0.9538071041907381 Energy: 0.8681824814648018 Energy: 0.9128528897769466 Energy: 0.9043230199185051 Energy: 0.9128528897763393 Energy: 0.9043230199178977 Energy: 0.9128528897769466 Energy: 0.9043230199185051 Energy: 0.875446162215805 Energy: 0.9239102986789058 Energy: 0.8754461622151978 Energy: 0.9239102986789058 Energy: 0.875446162215805 Energy: 0.9239102986789058 Energy: 0.912953823637487 Energy: 0.8682445997120498 Energy: 0.9129538236380941 Energy: 0.8682445997120498 Energy: 0.912953823637487 Energy: 0.8682445997120498 Energy: 0.9002428821749758 Energy: 0.8962963920848401 Energy: 0.9002428821749758 Energy: 0.8962963920848401 Energy: 0.9002428821749758 Energy: 0.8962963920848401 Energy: 0.8849735138903222 Energy: 0.9000194485570394 Energy: 0.8849735138909293 Energy: 0.9000194485570394 Energy: 0.8849735138909293 Energy: 0.9000194485570394 Energy: 0.9244606458726903 Energy: 0.8789366854761846 Energy: 0.9244606458726903 Energy: 0.8789366854761846 Energy: 0.9244606458726903 Energy: 0.8789366854761846 Energy: 0.9114236522249257 Energy: 0.8641411041307993 Energy: 0.9114236522249257 Energy: 0.8641411041307993 Energy: 0.9114236522255331 Energy: 0.8641411041307993 Energy: 0.8798329749643838 Energy: 0.904261111141993 Energy: 0.8798329749643838 Energy: 0.904261111141993 Energy: 0.8798329749643838 Energy: 0.904261111141993 Energy: 0.9149612698695265 Energy: 0.9149781165890991 Energy: 0.9149612698695265 Energy: 0.9149781165890991 Energy: 0.9149612698695265 Energy: 0.9149781165890991 Energy: 0.900776091578829 Energy: 0.8860882993835651 Energy: 0.900776091578829 Energy: 0.8860882993835651 Energy: 0.900776091578829 Energy: 0.8860882993835651 Energy: 0.886481045635843 Energy: 0.9134279787625758 Energy: 0.886481045635843 Energy: 0.9134279787625758 Energy: 0.886481045635843 Energy: 0.9134279787625758 Energy: 0.860051187430604 Energy: 0.9236035128717038 Energy: 0.860051187430604 Energy: 0.9236035128710967 Energy: 0.8600511874312111 Energy: 0.9236035128717038 Energy: 0.9564942072178352 Energy: 0.8687003942823236 Energy: 0.956494207217228 Energy: 0.8687003942823236 Energy: 0.956494207217228 Energy: 0.8687003942823236 Energy: 0.9545807585877459 Energy: 0.9062761339807716 Energy: 0.9545807585871389 Energy: 0.9062761339807716 Energy: 0.9545807585877459 Energy: 0.9062761339807716 Energy: 0.9112556404390292 Energy: 0.9197308545288676 Energy: 0.9112556404396365 Energy: 0.9197308545288676 Energy: 0.9112556404396365 Energy: 0.9197308545288676 Energy: 0.9016305793817566 Energy: 0.8687797590192389 Energy: 0.9016305793817566 Energy: 0.8687797590192389 Energy: 0.9016305793817566 Energy: 0.8687797590192389 Energy: 0.909201450109757 Energy: 0.8868996855148035 Energy: 0.909201450109757 Energy: 0.8868996855148035 Energy: 0.9092014501091495 Energy: 0.8868996855148035 Energy: 0.8748774650862717 Energy: 0.9033960155904941 Energy: 0.8748774650862717 Energy: 0.9033960155904941 Energy: 0.8748774650862717 Energy: 0.9033960155904941 Energy: 0.9218679336828411 Energy: 0.8930447649458241 Energy: 0.9218679336828411 Energy: 0.8930447649458241 Energy: 0.9218679336828411 Energy: 0.8930447649458241 Energy: 0.908234866511935 Energy: 0.8925665786046962 Energy: 0.908234866511935 Energy: 0.8925665786046962 Energy: 0.9082348665125423 Energy: 0.8925665786046962 minimum gb energy = 0.860051187430604 eV minimum distance = 2.31864273666139 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8580102905072049 Energy: 0.9095697987021312 Energy: 0.8580102905072049 Energy: 0.9095697987031989 Energy: 0.8580102905072049 Energy: 0.9095697987026651 Energy: 0.8826291102445996 Energy: 0.8505269378487528 Energy: 0.8826291102445996 Energy: 0.8505269378487528 Energy: 0.882629110245667 Energy: 0.8505269378487528 Energy: 0.8906064456260179 Energy: 0.8291097478535043 Energy: 0.8906064456260179 Energy: 0.8291097478529705 Energy: 0.8906064456265517 Energy: 0.8291097478535043 Energy: 0.8215801156967525 Energy: 0.9006131319020122 Energy: 0.8215801156962185 Energy: 0.9183150675783518 Energy: 0.8215801156967525 Energy: 0.8977955615757583 Energy: 0.8577580562812178 Energy: 0.8610544995494549 Energy: 0.8577580562806838 Energy: 0.8610544995499888 Energy: 0.8577580562817515 Energy: 0.8610544995499888 Energy: 0.891168937803933 Energy: 0.8287539598411839 Energy: 0.8911689378044667 Energy: 0.8287539598411839 Energy: 0.8911689378044667 Energy: 0.8287539598411839 Energy: 0.8491389920256889 Energy: 0.8850358945251554 Energy: 0.8491389920256889 Energy: 0.8850358945251554 Energy: 0.8491389920256889 Energy: 0.8850358945251554 Energy: 0.819252418721376 Energy: 0.8704010117256443 Energy: 0.8192524187208422 Energy: 0.9765325364696308 Energy: 0.8192524187208422 Energy: 0.889635697604427 Energy: 0.8895882201340142 Energy: 0.8294647136854142 Energy: 0.8895882201345479 Energy: 0.8294647136848804 Energy: 0.8895882201340142 Energy: 0.8294647136854142 Energy: 0.8581292425118686 Energy: 0.8835924686618832 Energy: 0.8581292425118686 Energy: 0.8835924686618832 Energy: 0.8581292425113347 Energy: 0.8835924686618832 Energy: 0.8175978660679669 Energy: 0.9813861794933273 Energy: 0.8175978660679669 Energy: 0.9813861794927935 Energy: 0.8175978660674332 Energy: 0.9813861794933273 Energy: 0.9170180103181568 Energy: 0.8502171029577366 Energy: 0.9170180103181568 Energy: 0.8502171029582704 Energy: 0.9170180103176231 Energy: 0.8502171029577366 Energy: 0.8781202185243142 Energy: 0.8287798818215357 Energy: 0.8781202185243142 Energy: 0.8287798818220694 Energy: 0.8781202185237805 Energy: 0.8287798818220694 Energy: 0.8622707082231403 Energy: 0.8880715347635377 Energy: 0.8622707082231403 Energy: 0.919422069303382 Energy: 0.8622707082236741 Energy: 0.9012701765635123 Energy: 0.9017493292282085 Energy: 0.8585296512354537 Energy: 0.9017493292282085 Energy: 0.8585296512354537 Energy: 0.9017493292282085 Energy: 0.8585296512354537 Energy: 0.8829513730267099 Energy: 0.8284908065850216 Energy: 0.8829513730256425 Energy: 0.8284908065844878 Energy: 0.8829513730261762 Energy: 0.8284908065850216 Energy: 0.8152846861483184 Energy: 0.8955539577462038 Energy: 0.8152846861483184 Energy: 0.8955539577462038 Energy: 0.8152846861483184 Energy: 0.8955539577462038 Energy: 0.8136450692069062 Energy: 0.886096728201773 Energy: 0.8136450692063721 Energy: 0.886096728201773 Energy: 0.8136450692063721 Energy: 0.8860967282012391 Energy: 0.8890220497261174 Energy: 0.829112225581814 Energy: 0.8890220497255839 Energy: 0.8291122255796789 Energy: 0.8890220497250498 Energy: 0.8291122255812804 Energy: 0.8341459062511478 Energy: 0.8838511221873869 Energy: 0.8341459062527492 Energy: 0.8838511221873869 Energy: 0.8341459062532829 Energy: 0.8838511221879207 Energy: 0.816629806703924 Energy: 0.9792516980777937 Energy: 0.816629806703924 Energy: 0.9792516980767261 Energy: 0.816629806703924 Energy: 0.97925169807726 Energy: 0.9096160810273841 Energy: 0.8251085148248961 Energy: 0.9096160810289613 Energy: 0.8251085148243623 Energy: 0.9096160810284275 Energy: 0.8251085148243623 Energy: 0.9087672195462347 Energy: 0.8243973752670412 Energy: 0.9087672195462347 Energy: 0.8243973752670412 Energy: 0.9087672195462347 Energy: 0.8243973752670412 Energy: 0.8215007429580086 Energy: 0.9015700562024913 Energy: 0.8215007429585424 Energy: 0.9015700562024913 Energy: 0.821500742959076 Energy: 0.9015700562024913 Energy: 0.9131417725200154 Energy: 0.859705835725103 Energy: 0.9131417725216167 Energy: 0.859705835725103 Energy: 0.9131417725242857 Energy: 0.859705835725103 Energy: 0.8799646173698075 Energy: 0.8281902623281269 Energy: 0.8799646173703414 Energy: 0.8281902623281269 Energy: 0.8799646173698075 Energy: 0.8281902623281269 Energy: 0.8575408930115609 Energy: 0.8892848367369303 Energy: 0.8575408930115609 Energy: 0.8892848367374641 Energy: 0.8575408930115609 Energy: 0.8892848367374641 Energy: 0.857736103282491 Energy: 0.8918358293259097 Energy: 0.857736103282491 Energy: 0.8918358293259097 Energy: 0.857736103282491 Energy: 0.8918358293259097 Energy: 0.9016967761581272 Energy: 0.8377964541622239 Energy: 0.9016967761581272 Energy: 0.8377964541627576 Energy: 0.9016967761591946 Energy: 0.8377964541627576 Energy: 0.8141684642831029 Energy: 0.8922889771163232 Energy: 0.8141684642831029 Energy: 0.8922889771163232 Energy: 0.8141684642836365 Energy: 0.8922889771157894 Energy: 0.8156941800252319 Energy: 0.8748690909488702 Energy: 0.8156941800246981 Energy: 0.8748690909488702 Energy: 0.8156941800246981 Energy: 0.8748690909488702 Energy: 0.9092566355242875 Energy: 0.8252126635362583 Energy: 0.9092566355237538 Energy: 0.8252126635362583 Energy: 0.9092566355242875 Energy: 0.8252126635362583 Energy: 0.9080319171633691 Energy: 0.8245315734720436 Energy: 0.9080319171628353 Energy: 0.8245315734720436 Energy: 0.9080319171633691 Energy: 0.8245315734720436 minimum gb energy = 0.8136450692063721 eV minimum distance = 2.32962493351424 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015486410965591583 Energy: 0.6443278661845488 Energy: 0.015486410965591583 Energy: 0.64432786618413 Energy: 0.015486410965591583 Energy: 0.64432786618413 Energy: 0.01638291669183855 Energy: 0.25149347693663776 Energy: 0.01638291669141968 Energy: 0.25149347693663776 Energy: 0.01638291669183855 Energy: 0.25149347693663776 Energy: 0.6448243833715325 Energy: 0.2514919372552388 Energy: 0.6448243833784562 Energy: 0.2514919367810291 Energy: 0.6448243833732573 Energy: 0.25149193735103664 Energy: 0.016382916692282055 Energy: 0.25149347693577534 Energy: 0.016382916692282055 Energy: 0.25149347693577534 Energy: 0.016382916692282055 Energy: 0.25149347693577534 minimum gb energy = 0.015486410965591583 eV minimum distance = 2.54313920169644 Angstroms sigma value = 1