Model name: model_name=MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.044650807976723 cohesive_energy=3.3602642529751923 mass=26.981538 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.5018813738789003 Energy: 0.4714994659641903 Energy: 0.5018813738789003 Energy: 0.6898263667600465 Energy: 0.5018813738789003 Energy: 0.715898766217913 Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.010383087933509857 Energy: 0.5018813738786497 Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.5018813738786497 Energy: 0.6898263667600465 Energy: 0.5018813738789003 Energy: 0.715898766217913 Energy: 0.5018813738789003 Energy: 0.7158987662176626 Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.010383087933509857 Energy: 0.5018813738789003 Energy: 0.010383087933509857 Energy: 0.5018813738786497 Energy: 0.5018813738789003 Energy: 0.715898766217913 Energy: 0.5018813738789003 Energy: 0.715898766217913 Energy: 0.5018813738789003 Energy: 0.715898766217913 minimum gb energy = 0.010383087933509857 eV minimum distance = 2.60747379084193 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6472784149796099 Energy: 0.596594124130734 Energy: 0.6472784149802129 Energy: 0.5965941241313368 Energy: 0.6472784149802129 Energy: 0.5965941241319399 Energy: 0.680717864795388 Energy: 0.5596033096265947 Energy: 0.680717864795388 Energy: 0.5596033096259916 Energy: 0.680717864795388 Energy: 0.5596033096259916 Energy: 0.6375982993908704 Energy: 0.6154421009986563 Energy: 0.6375982993908704 Energy: 0.6154421008979775 Energy: 0.6375982993908704 Energy: 0.6154421007653653 Energy: 0.6082167300099437 Energy: 0.5888369001870425 Energy: 0.6081935131691204 Energy: 0.5888369001870425 Energy: 0.5393514611343447 Energy: 0.5888369001870425 Energy: 0.6183048134179908 Energy: 0.6374555637435 Energy: 0.618304813418594 Energy: 0.637455563631391 Energy: 0.6183048134179908 Energy: 0.6374555634734514 Energy: 0.6594737441289558 Energy: 0.584651729881235 Energy: 0.6594737441289558 Energy: 0.584651729881235 Energy: 0.6594737441295587 Energy: 0.584651729881235 Energy: 0.6169725749116977 Energy: 0.6489394316701226 Energy: 0.6169725749135068 Energy: 0.6489394316701226 Energy: 0.6169725749135068 Energy: 0.6489394316707254 Energy: 0.5988117742603208 Energy: 0.6763027363889411 Energy: 0.5988117742603208 Energy: 0.6763027363895441 Energy: 0.5988117742597178 Energy: 0.6763027363889411 Energy: 0.6514674486112811 Energy: 0.6412388220419525 Energy: 0.6514674486112811 Energy: 0.6412388220425554 Energy: 0.6514674486118843 Energy: 0.6412388220419525 Energy: 0.5558455978022226 Energy: 0.660692953430459 Energy: 0.5558455978022226 Energy: 0.66069292333926 Energy: 0.5558455978022226 Energy: 0.6606928836466451 Energy: 0.7263539923513358 Energy: 0.5806120449768579 Energy: 0.7263539923525419 Energy: 0.5806120449774609 Energy: 0.7263539923519389 Energy: 0.5806120449774609 Energy: 0.5382562693709178 Energy: 0.6637259489658811 Energy: 0.5382562693709178 Energy: 0.6637259489664841 Energy: 0.5382562693709178 Energy: 0.6637259489664841 Energy: 0.6548369515665318 Energy: 0.5341303341609874 Energy: 0.6548369515689438 Energy: 0.5341303341609874 Energy: 0.6548369515683409 Energy: 0.5341303341609874 Energy: 0.5872122111677465 Energy: 0.5967091258522081 Energy: 0.5872122111671435 Energy: 0.5967091258522081 Energy: 0.5872122111677465 Energy: 0.5967091258528112 Energy: 0.690897574963969 Energy: 0.5617092006160593 Energy: 0.690897574963969 Energy: 0.5617092006160593 Energy: 0.690897574963969 Energy: 0.5617092006160593 Energy: 0.6921270611173292 Energy: 0.6374785339345219 Energy: 0.6921270611173292 Energy: 0.6374785339345219 Energy: 0.6921270611173292 Energy: 0.6374785339345219 Energy: 0.6438609943927369 Energy: 0.6168942594897584 Energy: 0.6438609943927369 Energy: 0.6168942594897584 Energy: 0.6438609943927369 Energy: 0.6168942594897584 Energy: 0.6463115220692089 Energy: 0.6008990050609176 Energy: 0.6463115220692089 Energy: 0.6008990050609176 Energy: 0.6463115220686059 Energy: 0.6008990050621238 Energy: 0.5614243216755097 Energy: 0.5977770095421662 Energy: 0.5614243216761129 Energy: 0.5977770095427692 Energy: 0.5614243216755097 Energy: 0.5977770095421662 Energy: 0.6248930625838485 Energy: 0.5845777081705488 Energy: 0.6248930625844515 Energy: 0.5845777081699457 Energy: 0.6248930625838485 Energy: 0.5845777081699457 Energy: 0.5628096768960912 Energy: 0.658411499800966 Energy: 0.5628096768960912 Energy: 0.6584114997997599 Energy: 0.5628096768960912 Energy: 0.6584114998003631 Energy: 0.6461525088718361 Energy: 0.638494448170608 Energy: 0.6461525088718361 Energy: 0.638494448170608 Energy: 0.6461525088712331 Energy: 0.638494448170608 Energy: 0.5398266545926123 Energy: 0.6659933731714127 Energy: 0.5398266545926123 Energy: 0.6659933731720159 Energy: 0.5398266545926123 Energy: 0.6659933731714127 minimum gb energy = 0.5341303341609874 eV minimum distance = 2.5564467917111 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.6815985924606249 Energy: 0.6597571988627076 Energy: 0.6403132566130837 Energy: 0.6597571988630506 Energy: 0.6815985924606249 Energy: 0.6597571988627076 Energy: 0.6352752210346161 Energy: 0.5987950572935445 Energy: 0.6352752210335872 Energy: 0.5987950572935445 Energy: 0.6352752210353022 Energy: 0.5987950572932016 Energy: 0.5565641735057743 Energy: 0.5909612604665856 Energy: 0.5565641735047452 Energy: 0.5909612604662426 Energy: 0.5565641735057743 Energy: 0.5909612604672717 Energy: 0.6877292136137027 Energy: 0.677309547336516 Energy: 0.6877292136133597 Energy: 0.677309547336516 Energy: 0.6877292136140456 Energy: 0.6773095473358302 Energy: 0.6145620440437358 Energy: 0.6237414518282542 Energy: 0.6145620440430499 Energy: 0.6237414518282542 Energy: 0.6145620440437358 Energy: 0.6237414518282542 Energy: 0.6080143798787464 Energy: 0.5563787031232352 Energy: 0.6080143798787464 Energy: 0.5563787031228923 Energy: 0.6080143798787464 Energy: 0.5563787031225492 Energy: 0.6597947613378787 Energy: 0.6454496701789405 Energy: 0.6597947613385647 Energy: 0.6454496701792836 Energy: 0.6597947613389078 Energy: 0.6454496701792836 Energy: 0.5326822829860056 Energy: 0.6821224867643556 Energy: 0.5326822829846335 Energy: 0.6821224867643556 Energy: 0.5326822829860056 Energy: 0.6821224867650416 Energy: 0.5528003827315706 Energy: 0.5580299915752235 Energy: 0.5528003827308845 Energy: 0.5580299915748805 Energy: 0.5528003827315706 Energy: 0.5580299915752235 Energy: 0.5586125589987457 Energy: 0.6948347292922697 Energy: 0.5585863970415377 Energy: 0.6948347292912407 Energy: 0.5586125589987457 Energy: 0.6948347292912407 Energy: 0.7004392561798107 Energy: 0.5565361550471137 Energy: 0.7004392561787818 Energy: 0.5565361550474567 Energy: 0.7004392561798107 Energy: 0.5565361550471137 Energy: 0.5568219329136535 Energy: 0.5862700661115683 Energy: 0.556908557765968 Energy: 0.5862700661115683 Energy: 0.5568219329139964 Energy: 0.5862700661108823 Energy: 0.6456112013046347 Energy: 0.5549258022472999 Energy: 0.6792683990141054 Energy: 0.5549258022469569 Energy: 0.6456112013053208 Energy: 0.5549258022469569 Energy: 0.6448427193543567 Energy: 0.6615999374244104 Energy: 0.6822786999566371 Energy: 0.6615999374244104 Energy: 0.6448427193546997 Energy: 0.6615999374240673 Energy: 0.6260098129044532 Energy: 0.5910145920877719 Energy: 0.6260098129030813 Energy: 0.5910145920877719 Energy: 0.6260098129037673 Energy: 0.5910145920877719 Energy: 0.5561710054405843 Energy: 0.5933460527466469 Energy: 0.5561710054402412 Energy: 0.5933460527463038 Energy: 0.5561710054409272 Energy: 0.5933460527476758 Energy: 0.7085090942948254 Energy: 0.6466379670690457 Energy: 0.7085090942944825 Energy: 0.6466379670690457 Energy: 0.7085090942948254 Energy: 0.6466379670690457 Energy: 0.6137389344327564 Energy: 0.556026368585934 Energy: 0.6137389344330995 Energy: 0.556026368586277 Energy: 0.6137389344348145 Energy: 0.5560263685855911 Energy: 0.6030313834337924 Energy: 0.5892883723223012 Energy: 0.6030313834337924 Energy: 0.5892883723212723 Energy: 0.6030313834341354 Energy: 0.5892883723205862 Energy: 0.6597854301487073 Energy: 0.6413618923984392 Energy: 0.6597854301480214 Energy: 0.6413618923984392 Energy: 0.6597854301490503 Energy: 0.6413618923984392 Energy: 0.5309224725907058 Energy: 0.679387611211184 Energy: 0.5309224725920778 Energy: 0.6793876112115269 Energy: 0.5309224725910487 Energy: 0.6793876112122129 Energy: 0.5901397965205358 Energy: 0.5585341285439746 Energy: 0.5901397965198498 Energy: 0.5585341285439746 Energy: 0.5901397965208788 Energy: 0.5585341285443175 Energy: 0.560060074191051 Energy: 0.6940106828343967 Energy: 0.5600610030012139 Energy: 0.6940106828330247 Energy: 0.560060074191051 Energy: 0.6940106828326816 Energy: 0.6879508777593165 Energy: 0.613394680697282 Energy: 0.6879508777596596 Energy: 0.613394680697282 Energy: 0.6879508777596596 Energy: 0.613394680697625 Energy: 0.556962812834071 Energy: 0.6036413060750231 Energy: 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0.5578949800380124 Energy: 0.6235367526449906 Energy: 0.5578949800380124 Energy: 0.5547080195162204 Energy: 0.6458011711855044 Energy: 0.5547080195148484 Energy: 0.6458011711855044 Energy: 0.5547080195162204 Energy: 0.6458011711858473 Energy: 0.6592846851990732 Energy: 0.6413435531874367 Energy: 0.6592846851990732 Energy: 0.6413435531874367 Energy: 0.6592846851990732 Energy: 0.6413435531874367 Energy: 0.5902793288923167 Energy: 0.6254960448710728 Energy: 0.5902793288919738 Energy: 0.6254960448721016 Energy: 0.5902793288930026 Energy: 0.6254960448710728 Energy: 0.5922023969188596 Energy: 0.5613860487752279 Energy: 0.5922023969188596 Energy: 0.5613860487752279 Energy: 0.5922023969192027 Energy: 0.5613860487752279 Energy: 0.6760625812670918 Energy: 0.6891930259523482 Energy: 0.676062581267778 Energy: 0.6891930259526913 Energy: 0.6760625812667489 Energy: 0.6891930259523482 Energy: 0.5560055130495783 Energy: 0.615692083560608 Energy: 0.5559916292261572 Energy: 0.6156920835599219 Energy: 0.5560055130492354 Energy: 0.615692083560608 Energy: 0.5891973760933326 Energy: 0.6047039917829704 Energy: 0.6037365238328303 Energy: 0.6047039917826275 Energy: 0.5891973760933326 Energy: 0.6047039917829704 Energy: 0.6446354324066887 Energy: 0.6582052152629184 Energy: 0.6821323875411961 Energy: 0.6582052152629184 Energy: 0.6446354324066887 Energy: 0.6582052152629184 Energy: 0.6793746629846314 Energy: 0.5315208669845045 Energy: 0.6793746629842883 Energy: 0.5315208669845045 Energy: 0.6793746629832593 Energy: 0.5315208669851905 Energy: 0.5568315377266341 Energy: 0.5503569144035695 Energy: 0.5568315377259481 Energy: 0.5503569144032265 Energy: 0.5568315377262911 Energy: 0.5503569144032265 minimum gb energy = 0.5309224725907058 eV minimum distance = 2.65279039765952 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6214227279341392 Energy: 0.6239991758814932 Energy: 0.6214227279341392 Energy: 0.6239991758814932 Energy: 0.6214227279341392 Energy: 0.623999175882288 Energy: 0.6426756789565339 Energy: 0.5934173816233321 Energy: 0.6426756789565339 Energy: 0.5934173816241268 Energy: 0.6426756789565339 Energy: 0.5934173816241268 Energy: 0.58278238515386 Energy: 0.6219246058892299 Energy: 0.58278238515386 Energy: 0.6219246058892299 Energy: 0.5827823851530652 Energy: 0.6219246058900247 Energy: 0.6203887842137876 Energy: 0.5617062528534557 Energy: 0.6203887842137876 Energy: 0.5617062528534557 Energy: 0.6203887842137876 Energy: 0.5617062528534557 Energy: 0.6383435766965149 Energy: 0.6050980951942853 Energy: 0.6383435766957201 Energy: 0.6050980951942853 Energy: 0.6383435766957201 Energy: 0.6050980951935085 Energy: 0.6371415725814397 Energy: 0.6050151242430353 Energy: 0.6371415725814397 Energy: 0.6050151242430353 Energy: 0.6371415725814397 Energy: 0.6050151242430353 Energy: 0.5950128430456012 Energy: 0.6046686407744432 Energy: 0.5950128430456012 Energy: 0.6046686407752377 Energy: 0.5950128430456012 Energy: 0.6046686407744432 Energy: 0.5719628114558439 Energy: 0.6046516590908478 Energy: 0.5719628114550491 Energy: 0.6046516590908478 Energy: 0.5719628114558439 Energy: 0.604651659090053 Energy: 0.693061738575627 Energy: 0.5603769735414479 Energy: 0.693061738575627 Energy: 0.5603769735414479 Energy: 0.693061738575627 Energy: 0.5603769735414479 Energy: 0.5657781013095833 Energy: 0.7018221628317933 Energy: 0.5657781013095833 Energy: 0.7018221628317933 Energy: 0.5657781013095833 Energy: 0.7018221628309986 Energy: 0.6807395292071698 Energy: 0.5510730891938301 Energy: 0.6807395292063751 Energy: 0.5510730891938301 Energy: 0.6807395292063751 Energy: 0.5510730891946248 Energy: 0.6231680351126752 Energy: 0.6240842481487828 Energy: 0.6231680351126752 Energy: 0.6240842481487828 Energy: 0.6231680351126752 Energy: 0.6240842481487828 Energy: 0.644641319888455 Energy: 0.5928119112160808 Energy: 0.644641319888455 Energy: 0.5928119112160808 Energy: 0.6446413198892498 Energy: 0.5928119112160808 Energy: 0.6033822887739043 Energy: 0.5769897142460656 Energy: 0.6033822887731095 Energy: 0.5769897142444762 Energy: 0.6033822887754937 Energy: 0.5769897142436814 Energy: 0.6172326489127623 Energy: 0.6179906447585117 Energy: 0.617232648913557 Energy: 0.6179906447585117 Energy: 0.617232648913557 Energy: 0.6179906447585117 Energy: 0.6398412359180198 Energy: 0.6052132104878182 Energy: 0.639841235917225 Energy: 0.6052132104870235 Energy: 0.639841235917225 Energy: 0.6052132104870235 Energy: 0.638567414589825 Energy: 0.6720212965185722 Energy: 0.638567414589825 Energy: 0.6720212965185722 Energy: 0.638567414589825 Energy: 0.6720212965185722 Energy: 0.618289341970572 Energy: 0.6065573263184807 Energy: 0.618289341970572 Energy: 0.6065573263184807 Energy: 0.618289341970572 Energy: 0.6065573263184807 minimum gb energy = 0.5510730891938301 eV minimum distance = 2.55730183827511 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.5167605706696904 Energy: 0.5308672589352693 Energy: 0.516760570669219 Energy: 0.5308672589343265 Energy: 0.5167605706701618 Energy: 0.5308672589352693 Energy: 0.6266507264507216 Energy: 0.6319315700493362 Energy: 0.6266507264511931 Energy: 0.6319315700488648 Energy: 0.6266507264507216 Energy: 0.6319315700488648 Energy: 0.5098206696113802 Energy: 0.6310716250527887 Energy: 0.5098206696113802 Energy: 0.6310716250523172 Energy: 0.5098206696113802 Energy: 0.6310716250537314 Energy: 0.5377493382715757 Energy: 0.5097416566085665 Energy: 0.5377493382715757 Energy: 0.5097416566085665 Energy: 0.5377493382715757 Energy: 0.5097416566085665 Energy: 0.5098428409104038 Energy: 0.5168365592037801 Energy: 0.5098428409113466 Energy: 0.5168365592042516 Energy: 0.5098428409104038 Energy: 0.5168365592037801 Energy: 0.5098157057159987 Energy: 0.5168768090946094 Energy: 0.5098157057159987 Energy: 0.5168768090936666 Energy: 0.5098157057159987 Energy: 0.5168768090946094 Energy: 0.5377831752687934 Energy: 0.5097404967701142 Energy: 0.537783175268322 Energy: 0.5097404967701142 Energy: 0.537783175268322 Energy: 0.5097404967701142 Energy: 0.5098228799434528 Energy: 0.6310490539889865 Energy: 0.5098228799429815 Energy: 0.6310490539894579 Energy: 0.5098228799429815 Energy: 0.6310490539889865 Energy: 0.6266387268261799 Energy: 0.6318603595387081 Energy: 0.6266387268261799 Energy: 0.6318603595387081 Energy: 0.6266387268252371 Energy: 0.6318603595391796 Energy: 0.516760570669219 Energy: 0.5308672589347979 Energy: 0.5167605706696904 Energy: 0.5308672589343265 Energy: 0.5167605706696904 Energy: 0.5308672589347979 Energy: 0.6266507264502502 Energy: 0.6319315700493362 Energy: 0.6266507264511931 Energy: 0.6319315700488648 Energy: 0.6266507264511931 Energy: 0.6319315700488648 Energy: 0.5098206696109087 Energy: 0.6310716250532602 Energy: 0.5098206696104373 Energy: 0.6310716250527887 Energy: 0.5098206696113802 Energy: 0.6310716250523172 Energy: 0.5377493382715757 Energy: 0.5097416566085665 Energy: 0.5377493382711042 Energy: 0.5097416566085665 Energy: 0.5377493382715757 Energy: 0.5097416566085665 Energy: 0.5098428409108753 Energy: 0.5168365592033087 Energy: 0.5098428409113466 Energy: 0.5168365592037801 Energy: 0.5098428409104038 Energy: 0.5168365592033087 Energy: 0.5098157057159987 Energy: 0.5168768090927237 Energy: 0.50981570571647 Energy: 0.5168768090941379 Energy: 0.50981570571647 Energy: 0.5168768090936666 Energy: 0.537783175268322 Energy: 0.5097404967705855 Energy: 0.5377831752687934 Energy: 0.5097404967701142 Energy: 0.5377831752687934 Energy: 0.5097404967705855 Energy: 0.5098228799429815 Energy: 0.6310490539885151 Energy: 0.5098228799439242 Energy: 0.6310490539889865 Energy: 0.5098228799420386 Energy: 0.6310490539885151 Energy: 0.6266387268257086 Energy: 0.6318603595387081 Energy: 0.6266387268271228 Energy: 0.6318603595391796 Energy: 0.6266387268261799 Energy: 0.6318603595391796 Energy: 0.5167605706701618 Energy: 0.5308672589343265 Energy: 0.5167605706696904 Energy: 0.5308672589343265 Energy: 0.5167605706706333 Energy: 0.5308672589352693 Energy: 0.6266507264511931 Energy: 0.6319315700493362 Energy: 0.6266507264507216 Energy: 0.6319315700488648 Energy: 0.6266507264507216 Energy: 0.6319315700493362 Energy: 0.5098206696109087 Energy: 0.6310716250523172 Energy: 0.5098206696113802 Energy: 0.6310716250532602 Energy: 0.5098206696113802 Energy: 0.6310716250527887 Energy: 0.5377493382706329 Energy: 0.5097416566085665 Energy: 0.5377493382711042 Energy: 0.509741656609038 Energy: 0.5377493382711042 Energy: 0.5097416566085665 Energy: 0.5098428409108753 Energy: 0.5168365592037801 Energy: 0.5098428409113466 Energy: 0.5168365592037801 Energy: 0.5098428409108753 Energy: 0.5168365592028373 Energy: 0.5098157057159987 Energy: 0.5168768090936666 Energy: 0.5098157057159987 Energy: 0.5168768090941379 Energy: 0.5098157057155273 Energy: 0.5168768090950808 Energy: 0.537783175268322 Energy: 0.5097404967701142 Energy: 0.5377831752687934 Energy: 0.5097404967705855 Energy: 0.537783175268322 Energy: 0.5097404967705855 Energy: 0.5098228799434528 Energy: 0.6310490539894579 Energy: 0.5098228799429815 Energy: 0.6310490539885151 Energy: 0.5098228799429815 Energy: 0.6310490539889865 Energy: 0.6266387268257086 Energy: 0.6318603595387081 Energy: 0.6266387268257086 Energy: 0.6318603595387081 Energy: 0.6266387268252371 Energy: 0.6318603595391796 Energy: 0.516760570669219 Energy: 0.5308672589343265 Energy: 0.5167605706701618 Energy: 0.5308672589343265 Energy: 0.5167605706706333 Energy: 0.5308672589347979 Energy: 0.6266507264521359 Energy: 0.6319315700493362 Energy: 0.6266507264511931 Energy: 0.6319315700488648 Energy: 0.6266507264507216 Energy: 0.6319315700493362 Energy: 0.5098206696109087 Energy: 0.6310716250523172 Energy: 0.5098206696127944 Energy: 0.6310716250527887 Energy: 0.509820669612323 Energy: 0.6310716250532602 minimum gb energy = 0.5097404967701142 eV minimum distance = 2.56622380593788 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.528114516228244 Energy: 0.5112871709449381 Energy: 0.528114516228244 Energy: 0.5112871709460929 Energy: 0.528114516228244 Energy: 0.5112871709460929 Energy: 0.727933886584728 Energy: 0.5226203499009888 Energy: 0.727933886343497 Energy: 0.5226203499009888 Energy: 0.7279338863250477 Energy: 0.5226203499009888 Energy: 0.5413095341445568 Energy: 0.5728887055607402 Energy: 0.5413095341445568 Energy: 0.5728887055584309 Energy: 0.5413095341445568 Energy: 0.5728887055584309 Energy: 0.6459984880159875 Energy: 0.505730561558008 Energy: 0.6459984880159875 Energy: 0.505730561558008 Energy: 0.6459984880171421 Energy: 0.505730561558008 Energy: 0.6375288436155347 Energy: 0.5037774971330845 Energy: 0.6375288436143801 Energy: 0.5037774971330845 Energy: 0.6375288436143801 Energy: 0.5037774971330845 Energy: 0.6074866015477423 Energy: 0.6249219202151582 Energy: 0.6074866015477423 Energy: 0.6249219202140036 Energy: 0.6074866015477423 Energy: 0.6249219202151582 Energy: 0.5094231148208688 Energy: 0.5245923905613067 Energy: 0.5648168402504407 Energy: 0.5245923905613067 Energy: 0.5648168402504407 Energy: 0.5245923905613067 Energy: 0.5302218648034748 Energy: 0.5130725646460352 Energy: 0.5302218648034748 Energy: 0.5130725646460352 Energy: 0.5302218648034748 Energy: 0.5130725646460352 Energy: 0.6256345641334039 Energy: 0.5308776233317826 Energy: 0.6256345641334039 Energy: 0.5308776233317826 Energy: 0.6256345641334039 Energy: 0.5308776233283183 Energy: 0.5594092594222128 Energy: 0.6049935910503016 Energy: 0.559409259421058 Energy: 0.6049935910503016 Energy: 0.559409259421058 Energy: 0.6049935910503016 Energy: 0.5798139309146619 Energy: 0.5032172767230496 Energy: 0.5798139309146619 Energy: 0.5032172767218949 Energy: 0.5798139309146619 Energy: 0.5032172767218949 Energy: 0.6164258473029236 Energy: 0.5809722557442721 Energy: 0.6164258473029236 Energy: 0.5809722556577209 Energy: 0.6164258473029236 Energy: 0.5809722555607507 minimum gb energy = 0.5032172767218949 eV minimum distance = 2.5468774424507 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.543482114096774 Energy: 0.5610689809274242 Energy: 0.543482114096774 Energy: 0.5610689809270998 Energy: 0.543482114096774 Energy: 0.5610689809270998 Energy: 0.5268871914938672 Energy: 0.5196355914590346 Energy: 0.5268871914883516 Energy: 0.5369179025808465 Energy: 0.5268871914627201 Energy: 0.5349728465371816 Energy: 0.47834443741778643 Energy: 0.6247064524047095 Energy: 0.47834443741778643 Energy: 0.6247064524034116 Energy: 0.4783444374187597 Energy: 0.6247064524043849 Energy: 0.4783723178897423 Energy: 0.47526409478360915 Energy: 0.4783723178894179 Energy: 0.47526409478328474 Energy: 0.47837231788909346 Energy: 0.47526409478360915 Energy: 0.5223167587201204 Energy: 0.5297452982275445 Energy: 0.522316758719796 Energy: 0.529745298227869 Energy: 0.522316758719796 Energy: 0.52974529822722 Energy: 0.525031921119054 Energy: 0.5173479973147268 Energy: 0.5250319211213251 Energy: 0.5299197310134004 Energy: 0.5250319211193784 Energy: 0.5274661550835746 Energy: 0.5026196070584426 Energy: 0.5376618573470328 Energy: 0.5026196070594159 Energy: 0.5376618573470328 Energy: 0.5026196070548735 Energy: 0.5376618573470328 Energy: 0.46205954486797624 Energy: 0.5354846608999678 Energy: 0.46205954486797624 Energy: 0.5354846608999678 Energy: 0.46205954486765183 Energy: 0.5354846608996434 Energy: 0.5956675839900163 Energy: 0.5296741578596944 Energy: 0.5956675839874207 Energy: 0.5296741578596944 Energy: 0.595667583988394 Energy: 0.5296741578596944 Energy: 0.5221437784982 Energy: 0.6294784518893125 Energy: 0.5221437784972267 Energy: 0.6294784518899614 Energy: 0.5221437784972267 Energy: 0.629478451889637 Energy: 0.4796349841350604 Energy: 0.47290877636540357 Energy: 0.4796349841353848 Energy: 0.47290877636540357 Energy: 0.4796349841357093 Energy: 0.472908776365728 Energy: 0.49886878085951253 Energy: 0.5427014107123956 Energy: 0.4988687808588636 Energy: 0.54270141071272 Energy: 0.4988687808591881 Energy: 0.5427014107120712 Energy: 0.5163030684435325 Energy: 0.5332667586495918 Energy: 0.5163030684363947 Energy: 0.5332667586505652 Energy: 0.5163030684175767 Energy: 0.5332667586499164 Energy: 0.5437080765431519 Energy: 0.6422960045975884 Energy: 0.5437080765412052 Energy: 0.6422960045979128 Energy: 0.5437080765421786 Energy: 0.6422960045979128 Energy: 0.47376968448130363 Energy: 0.5217794920663039 Energy: 0.47376968448130363 Energy: 0.5217794920663039 Energy: 0.47376968448130363 Energy: 0.5217794920663039 Energy: 0.49477762356316785 Energy: 0.5199622113402167 Energy: 0.49477762356446564 Energy: 0.5199622113324299 Energy: 0.494777623562519 Energy: 0.5199622113168859 Energy: 0.615189021763125 Energy: 0.4730975763347887 Energy: 0.6151890217628004 Energy: 0.4730975763344643 Energy: 0.6151890217628004 Energy: 0.4730975763338154 Energy: 0.4787437682934027 Energy: 0.4984603349783062 Energy: 0.4787437682934027 Energy: 0.4984603349783062 Energy: 0.4787437682934027 Energy: 0.4984603349783062 Energy: 0.46467807629529984 Energy: 0.6069585203328127 Energy: 0.46467807629529984 Energy: 0.6069585203331372 Energy: 0.46467807629529984 Energy: 0.6069585203328127 Energy: 0.6147410806045113 Energy: 0.5644315360583099 Energy: 0.6147410806041869 Energy: 0.5644315360579855 Energy: 0.6147410806041869 Energy: 0.5514692431687148 Energy: 0.46467508416516007 Energy: 0.607002627801091 Energy: 0.46467508416548453 Energy: 0.607002627801091 Energy: 0.46467508416516007 Energy: 0.6070026278004422 Energy: 0.4788308479930849 Energy: 0.4984279484094299 Energy: 0.47883084799276043 Energy: 0.4984279484091054 Energy: 0.47883084799276043 Energy: 0.4984279484094299 Energy: 0.615270600504813 Energy: 0.47326875518328565 Energy: 0.615270600504813 Energy: 0.4732687551829612 Energy: 0.6152706005051375 Energy: 0.4732687551826368 Energy: 0.49462296114513926 Energy: 0.5359362631138392 Energy: 0.49462296114513926 Energy: 0.5359362631193548 Energy: 0.4946229611454637 Energy: 0.5359362631070258 Energy: 0.47376317498927306 Energy: 0.5218118973666365 Energy: 0.47376317498992193 Energy: 0.5218118973669609 Energy: 0.47376317498992193 Energy: 0.5218118973666365 Energy: 0.5437477283470119 Energy: 0.5517326216392207 Energy: 0.5437477283453896 Energy: 0.5517326216388961 Energy: 0.5437477283444163 Energy: 0.5517326216385716 Energy: 0.5162113947603347 Energy: 0.5332079395605828 Energy: 0.5162113947178615 Energy: 0.5332079395602582 Energy: 0.5162113946474858 Energy: 0.5332079395622049 Energy: 0.49866517889440537 Energy: 0.5082682143710608 Energy: 0.4986651788947298 Energy: 0.5090463431989377 Energy: 0.4986651788947298 Energy: 0.5082682131614019 Energy: 0.479647489333295 Energy: 0.4728064375757131 Energy: 0.47964748933297047 Energy: 0.4728064375757131 Energy: 0.47964748933297047 Energy: 0.4728064375753886 Energy: 0.5221552424249188 Energy: 0.5047631815578284 Energy: 0.5221552424239455 Energy: 0.5047631805343434 Energy: 0.5221552424242699 Energy: 0.5047631796178672 Energy: 0.5954805691639427 Energy: 0.5265327716107748 Energy: 0.5954805691645916 Energy: 0.526532771609477 Energy: 0.5954805691639427 Energy: 0.526532771609477 Energy: 0.46206669681426404 Energy: 0.5366935509405358 Energy: 0.46206669681426404 Energy: 0.5366935509408602 Energy: 0.4620666968139396 Energy: 0.5366935509402113 Energy: 0.5026914506433777 Energy: 0.5377696022754712 Energy: 0.5026914506427288 Energy: 0.5377696022754712 Energy: 0.502691450644351 Energy: 0.5377696022757957 Energy: 0.5249835284497552 Energy: 0.5173118923348197 Energy: 0.5249835284494306 Energy: 0.5024045141093314 Energy: 0.5249835284491061 Energy: 0.49302420458515267 Energy: 0.5223326234549703 Energy: 0.5306765620916425 Energy: 0.5223326234549703 Energy: 0.5306765620916425 Energy: 0.5223326234549703 Energy: 0.5306765620913181 Energy: 0.47837998285229644 Energy: 0.47526967113796564 Energy: 0.47837998285262084 Energy: 0.47526967113796564 Energy: 0.47837998285262084 Energy: 0.47526967113796564 Energy: 0.47832256286756464 Energy: 0.6246637789594497 Energy: 0.4783225628678891 Energy: 0.6246637789594497 Energy: 0.4783225628678891 Energy: 0.6246637789591252 Energy: 0.5274877747031869 Energy: 0.5196225669650553 Energy: 0.5274877747424156 Energy: 0.5292079366674711 Energy: 0.5274877747437133 Energy: 0.5292079366677955 Energy: 0.5434821140970985 Energy: 0.5610689809267754 Energy: 0.543482114096774 Energy: 0.5610689809267754 Energy: 0.543482114096774 Energy: 0.5610689809267754 Energy: 0.5268871915976314 Energy: 0.5349728465368572 Energy: 0.5268871915976314 Energy: 0.5349728465368572 Energy: 0.5268871915982802 Energy: 0.5349728465368572 Energy: 0.47834443741746197 Energy: 0.6247064524017895 Energy: 0.47834443741746197 Energy: 0.624706452401465 Energy: 0.47834443741681304 Energy: 0.6247064524021139 Energy: 0.47837231788909346 Energy: 0.47526409478458254 Energy: 0.478372317888769 Energy: 0.47526409478458254 Energy: 0.4783723178884446 Energy: 0.47526409478458254 Energy: 0.5223167587201204 Energy: 0.5297452982275445 Energy: 0.5223167587201204 Energy: 0.5297452982275445 Energy: 0.5223167587201204 Energy: 0.52974529822722 minimum gb energy = 0.46205954486765183 eV minimum distance = 2.63616613933203 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.32790652804626974 Energy: 0.31939606763641276 Energy: 0.282569654175724 Energy: 0.3193960676356742 Energy: 0.32790652804626974 Energy: 0.3193960676371513 Energy: 0.3764102934255606 Energy: 0.31488239900120746 Energy: 0.3764102934255606 Energy: 0.314882399001946 Energy: 0.37641029342629917 Energy: 0.31488239900120746 Energy: 0.336088822175852 Energy: 0.4657287953682552 Energy: 0.33608882217437486 Energy: 0.4657287953682552 Energy: 0.33608882217511343 Energy: 0.46572879536899375 Energy: 0.3211277997974292 Energy: 0.28268042150862305 Energy: 0.3211277997981678 Energy: 0.28268042150862305 Energy: 0.3211277997974292 Energy: 0.2826804215078845 Energy: 0.34214661492388615 Energy: 0.3753957529729741 Energy: 0.34214661492388615 Energy: 0.3753957529729741 Energy: 0.34214661492388615 Energy: 0.37539575297149697 Energy: 0.28280844847322645 Energy: 0.34029677015571985 Energy: 0.28280844847248787 Energy: 0.34029677015571985 Energy: 0.28280844847248787 Energy: 0.3402967701549813 Energy: 0.2827970139937845 Energy: 0.305297427628219 Energy: 0.2827970139937845 Energy: 0.305297427628219 Energy: 0.2827970139937845 Energy: 0.3052974276289576 Energy: 0.3776903711438951 Energy: 0.3402981004870659 Energy: 0.3776903711438951 Energy: 0.3402981004870659 Energy: 0.3776903711438951 Energy: 0.34029810048632725 Energy: 0.3210257429127006 Energy: 0.28268649490915365 Energy: 0.32102574291343916 Energy: 0.2826864949084151 Energy: 0.32102574291343916 Energy: 0.2826864949076765 Energy: 0.30268429316878226 Energy: 0.37261589641905013 Energy: 0.3026842931695208 Energy: 0.37261589641905013 Energy: 0.30268429316878226 Energy: 0.37261589641905013 Energy: 0.34111039751359445 Energy: 0.31495526661672546 Energy: 0.3411103975142994 Energy: 0.31495526661746404 Energy: 0.3411103975142994 Energy: 0.31495526661746404 Energy: 0.32790652804553116 Energy: 0.3193960676371513 Energy: 0.2825696541727698 Energy: 0.3193960676371513 Energy: 0.32790652804626974 Energy: 0.31939606763788986 Energy: 0.3764102934255606 Energy: 0.314882399001946 Energy: 0.3764102934255606 Energy: 0.314882399001946 Energy: 0.3764102934255606 Energy: 0.314882399001946 Energy: 0.336088822175852 Energy: 0.4657287953682552 Energy: 0.33608882217511343 Energy: 0.4657287953682552 Energy: 0.336088822175852 Energy: 0.4657287953682552 Energy: 0.3211277997974292 Energy: 0.28268042150862305 Energy: 0.3211277997981678 Energy: 0.28268042150862305 Energy: 0.3211277997974292 Energy: 0.28268042150862305 Energy: 0.3421466149231476 Energy: 0.37539575297223554 Energy: 0.34214661492240905 Energy: 0.37539575297223554 Energy: 0.34214661492240905 Energy: 0.37539575297223554 Energy: 0.28280844847248787 Energy: 0.3402967701549813 Energy: 0.2828084484717493 Energy: 0.3402967701549813 Energy: 0.2828084484717493 Energy: 0.3402967701549813 Energy: 0.282797013994523 Energy: 0.305297427628219 Energy: 0.282797013994523 Energy: 0.305297427628219 Energy: 0.282797013994523 Energy: 0.30529742762969614 Energy: 0.37769037114315657 Energy: 0.34029810048632725 Energy: 0.37769037114315657 Energy: 0.3402981004855887 Energy: 0.37769037114315657 Energy: 0.3402981004855887 minimum gb energy = 0.2825696541727698 eV minimum distance = 2.74513895375196 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.4987958238804099 Energy: 0.49998469287980996 Energy: 0.4987958238804099 Energy: 0.49998469287980996 Energy: 0.4987958238804099 Energy: 0.49998469288197395 Energy: 0.5513908939167228 Energy: 0.48046410829902536 Energy: 0.5513908939172637 Energy: 0.48046410829848446 Energy: 0.5513908939167228 Energy: 0.48046410829902536 Energy: 0.5346767159791398 Energy: 0.5964160893867718 Energy: 0.5346767159780578 Energy: 0.5964160893878538 Energy: 0.5346767159785987 Energy: 0.5964160893862308 Energy: 0.5079204533211605 Energy: 0.47294298547230984 Energy: 0.5079204533206194 Energy: 0.47294298547230984 Energy: 0.5079204533189964 Energy: 0.47294298547230984 Energy: 0.4872181177422333 Energy: 0.43614489925798283 Energy: 0.4872181177422333 Energy: 0.43614489925852384 Energy: 0.4872181177422333 Energy: 0.43614489925852384 Energy: 0.49319502810524424 Energy: 0.4713980144329148 Energy: 0.49319502810524424 Energy: 0.4713980144334558 Energy: 0.4931950281063262 Energy: 0.4713980144329148 Energy: 0.48593162047007543 Energy: 0.5001239350908816 Energy: 0.4859316204695345 Energy: 0.5001239350908816 Energy: 0.45669196280870017 Energy: 0.5001239350908816 Energy: 0.4865804918861853 Energy: 0.4343511432905712 Energy: 0.4865804918856443 Energy: 0.4343511432905712 Energy: 0.4865804918856443 Energy: 0.4343511432905712 Energy: 0.48846932773612023 Energy: 0.4331451097446658 Energy: 0.48846932773612023 Energy: 0.4331451097446658 Energy: 0.48846932773612023 Energy: 0.4331451097441248 Energy: 0.4362846845023361 Energy: 0.5679510423596935 Energy: 0.4362846845023361 Energy: 0.5679510423596935 Energy: 0.4362846845023361 Energy: 0.5679510423596935 Energy: 0.555310472969252 Energy: 0.5721264081387276 Energy: 0.5553104729665469 Energy: 0.5721264081387276 Energy: 0.555310472970875 Energy: 0.5721264081387276 Energy: 0.48854551329596585 Energy: 0.43805386444302463 Energy: 0.48854551328893275 Energy: 0.4380538644424836 Energy: 0.4885455132900147 Energy: 0.4380538644424836 Energy: 0.5031225692325514 Energy: 0.4927316640563053 Energy: 0.5031225692336333 Energy: 0.49273166405576424 Energy: 0.5031225692330924 Energy: 0.49273166405576424 Energy: 0.5145093626213774 Energy: 0.5830237153441878 Energy: 0.5145093626213774 Energy: 0.5830237153441878 Energy: 0.5145093626213774 Energy: 0.5830237153436468 Energy: 0.5372125475327348 Energy: 0.48401493920795513 Energy: 0.5372125475316528 Energy: 0.4840149392084962 Energy: 0.5372125475343579 Energy: 0.48401493920795513 Energy: 0.4985931175551625 Energy: 0.49259985799800926 Energy: 0.4985931175551625 Energy: 0.49259985799800926 Energy: 0.4985931175546215 Energy: 0.4925998579985503 Energy: 0.47646504186105715 Energy: 0.482071879468643 Energy: 0.47646504186051614 Energy: 0.4820718794681019 Energy: 0.47646504186105715 Energy: 0.4820718794664789 Energy: 0.5785254047417379 Energy: 0.5815133947761012 Energy: 0.5785254047417379 Energy: 0.5815133947755602 Energy: 0.5785254047422788 Energy: 0.5815133947744782 Energy: 0.505430799385565 Energy: 0.47289473316871483 Energy: 0.5054307993866469 Energy: 0.47289473316871483 Energy: 0.5054307993850239 Energy: 0.47289473316925584 Energy: 0.48833567210121637 Energy: 0.4571611212381516 Energy: 0.4883356721039215 Energy: 0.45716112123761055 Energy: 0.48833567210121637 Energy: 0.4571611212381516 Energy: 0.4355733420574139 Energy: 0.47889618023495095 Energy: 0.4355733420574139 Energy: 0.4788961802354919 Energy: 0.43557334205633186 Energy: 0.47889618023495095 Energy: 0.4776492582648179 Energy: 0.5031389457689383 Energy: 0.47764925826373594 Energy: 0.5031389457689383 Energy: 0.47764925826319493 Energy: 0.5031389457694793 Energy: 0.48965292625916457 Energy: 0.4895641774579152 Energy: 0.48965292626078766 Energy: 0.4895641774573742 Energy: 0.48965292625808254 Energy: 0.4895641774568331 Energy: 0.49166744394443684 Energy: 0.46131697179785836 Energy: 0.4916674439455189 Energy: 0.46131697179785836 Energy: 0.49166744394443684 Energy: 0.46131697179785836 Energy: 0.4357278498018368 Energy: 0.5607996325087339 Energy: 0.4357278498018368 Energy: 0.5607996325098159 Energy: 0.4357278498018368 Energy: 0.5607996325087339 Energy: 0.6571054762767203 Energy: 0.5302604039300984 Energy: 0.6571054762756383 Energy: 0.5302604039300984 Energy: 0.6571054762761794 Energy: 0.5302604039300984 minimum gb energy = 0.4331451097441248 eV minimum distance = 2.59429883586781 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.5454908865229487 Energy: 0.46861869059630834 Energy: 0.5454908865229487 Energy: 0.4686186905958819 Energy: 0.5454908865233751 Energy: 0.46861869059630834 Energy: 0.5602554074417062 Energy: 0.5281510586782949 Energy: 0.5602554074417062 Energy: 0.5281510586782949 Energy: 0.5602554074417062 Energy: 0.5281510586782949 Energy: 0.5984458089532393 Energy: 0.5832086754059657 Energy: 0.598445808952813 Energy: 0.5832086754063922 Energy: 0.5984458089532393 Energy: 0.5832086754063922 Energy: 0.5389676221214994 Energy: 0.46259263253799177 Energy: 0.5389676221197937 Energy: 0.46259263253799177 Energy: 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Energy: 0.5207346256622772 Energy: 0.4609294254262613 Energy: 0.5207346256622772 Energy: 0.4609294254262613 Energy: 0.5207346256622772 Energy: 0.4609294254258349 Energy: 0.4513137469954858 Energy: 0.5311083497800209 Energy: 0.4513137469954858 Energy: 0.5311083497800209 Energy: 0.4513137469959121 Energy: 0.5311083497800209 Energy: 0.44582168393994964 Energy: 0.5412078147910333 Energy: 0.44582168393994964 Energy: 0.5412078147910333 Energy: 0.44582168393994964 Energy: 0.5412078147910333 Energy: 0.48298003478967855 Energy: 0.5461930974006655 Energy: 0.4829800347892522 Energy: 0.546193097401092 Energy: 0.48298003478967855 Energy: 0.546193097401092 Energy: 0.4626288910577532 Energy: 0.4613346367064461 Energy: 0.4626288910573268 Energy: 0.4613346367064461 Energy: 0.4626288910573268 Energy: 0.4613346367064461 Energy: 0.45127229144891257 Energy: 0.5022925685514054 Energy: 0.45127229144891257 Energy: 0.5022925685518317 Energy: 0.4512722914484862 Energy: 0.5022925685514054 Energy: 0.5303114847683772 Energy: 0.5321287558919423 Energy: 0.5303114847683772 Energy: 0.532128755894927 Energy: 0.5303114847679509 Energy: 0.5321287558910893 Energy: 0.5709847079906816 Energy: 0.5134678686885787 Energy: 0.5709847079906816 Energy: 0.5134678686885787 Energy: 0.5709847079906816 Energy: 0.5134678686881524 Energy: 0.4471670508715485 Energy: 0.504793341909681 Energy: 0.4471670508711221 Energy: 0.504793341909681 Energy: 0.4471670508711221 Energy: 0.5047933419092546 Energy: 0.4607575202447246 Energy: 0.46121833842863214 Energy: 0.46075752024513156 Energy: 0.46121833842863214 Energy: 0.4607575202447246 Energy: 0.46121833842863214 Energy: 0.44542490693576875 Energy: 0.5208124590961833 Energy: 0.4454249069353617 Energy: 0.5208124590957569 Energy: 0.4454249069353617 Energy: 0.5208124590957569 minimum gb energy = 0.4454249069353617 eV minimum distance = 2.63706922769161 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.4885573030762443 Energy: 0.4700953237660263 Energy: 0.4885573030762443 Energy: 0.47009532376632557 Energy: 0.4885573030753466 Energy: 0.4700953237654278 Energy: 0.6326356374347515 Energy: 0.46313613314363816 Energy: 0.6326356374344523 Energy: 0.46313613314333885 Energy: 0.6326356374344523 Energy: 0.46313613314333885 Energy: 0.6154475978789363 Energy: 0.5924302998508173 Energy: 0.6154475978789363 Energy: 0.5924302998523137 Energy: 0.6154475978792356 Energy: 0.5924302998505181 Energy: 0.5963522201959419 Energy: 0.46984053121275937 Energy: 0.5963522201929494 Energy: 0.46984053121275937 Energy: 0.5963522201887598 Energy: 0.46984053121275937 Energy: 0.46537533246899504 Energy: 0.6082857162156194 Energy: 0.46537533246899504 Energy: 0.608285716215021 Energy: 0.46537533246899504 Energy: 0.608285716215021 Energy: 0.5864423259442894 Energy: 0.4762426470834081 Energy: 0.5864423259433915 Energy: 0.4762426470855029 Energy: 0.5864423259439902 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Energy: 0.6121946074386927 Energy: 0.6141810311309027 Energy: 0.6121946074386927 Energy: 0.6141810311315014 Energy: 0.6121946074383935 Energy: 0.6165991847050456 Energy: 0.4779327164260711 Energy: 0.6165991846919054 Energy: 0.47793271642547264 Energy: 0.6165991847185122 Energy: 0.4779327164260711 Energy: 0.4707521676692065 Energy: 0.4892266593248742 Energy: 0.4707521676689073 Energy: 0.48922665932367715 Energy: 0.4707521676689073 Energy: 0.48922665932367715 Energy: 0.4633357851756259 Energy: 0.5485040405681934 Energy: 0.46333578517532664 Energy: 0.5485040405681934 Energy: 0.46333578517532664 Energy: 0.5485040405681934 Energy: 0.5673158319085589 Energy: 0.5498981338839791 Energy: 0.5673158319103545 Energy: 0.5498981338839791 Energy: 0.5673158319115515 Energy: 0.5498981338836799 Energy: 0.46791201374024954 Energy: 0.6058165179482071 Energy: 0.46791201374024954 Energy: 0.6058165179479078 Energy: 0.4679120137405489 Energy: 0.6058165179488056 Energy: 0.6433634791832602 Energy: 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Energy: 0.5186520849642822 Energy: 0.4608150676503209 Energy: 0.5186520849642822 Energy: 0.46081506765062014 Energy: 0.46779131394490303 Energy: 0.6102159709919164 Energy: 0.46779131394490303 Energy: 0.6102159709916173 Energy: 0.4677913139443045 Energy: 0.6102159709916173 Energy: 0.6172473393452095 Energy: 0.47530538562005253 Energy: 0.6172473393514939 Energy: 0.4753053856203518 Energy: 0.617247339344611 Energy: 0.4753053856203518 Energy: 0.5219419278742327 Energy: 0.5676383221912182 Energy: 0.5219419278739333 Energy: 0.5676383221906196 Energy: 0.5219419278745319 Energy: 0.5676383221915173 Energy: 0.5218138568833224 Energy: 0.5675187050135555 Energy: 0.5218138568842202 Energy: 0.5675187050138548 Energy: 0.5218138568848187 Energy: 0.5675187050141541 Energy: 0.619454781014893 Energy: 0.4752992347431464 Energy: 0.619454781014893 Energy: 0.4752992347428472 Energy: 0.6194547810151921 Energy: 0.4752992347431464 Energy: 0.46793476582953714 Energy: 0.6102593691630337 Energy: 0.4679347658289386 Energy: 0.6102593691627345 Energy: 0.4679347658292379 Energy: 0.6102593691624352 Energy: 0.5185421069173949 Energy: 0.46100434270493706 Energy: 0.5185421069170956 Energy: 0.46100434270463786 Energy: 0.5185421069173949 Energy: 0.46100434270493706 Energy: 0.47655543516018495 Energy: 0.6148806986342124 Energy: 0.47655543515988574 Energy: 0.6148806986357086 Energy: 0.47655543516018495 Energy: 0.6148806986392997 Energy: 0.4760487648937872 Energy: 0.6209192358913457 Energy: 0.47604876489438575 Energy: 0.6209192358913457 Energy: 0.4760487648940865 Energy: 0.620919235891645 Energy: 0.49094200254547427 Energy: 0.47273303633062264 Energy: 0.49094200254547427 Energy: 0.47273303633122116 Energy: 0.49094200254577347 Energy: 0.47273303633062264 Energy: 0.5633103024476676 Energy: 0.5111336336442522 Energy: 0.5633103024479668 Energy: 0.5111336336442522 Energy: 0.5633103024473682 Energy: 0.5111336336439529 Energy: 0.471297317324981 Energy: 0.5854585804470086 Energy: 0.471297317324981 Energy: 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Energy: 0.549983139073004 Energy: 0.5110385770579271 Energy: 0.5499831390719154 Energy: 0.511038577058224 Energy: 0.549983139073301 Energy: 0.47946511759345317 Energy: 0.5539134946424257 Energy: 0.4794651175926614 Energy: 0.55391349464297 Energy: 0.47946511759320576 Energy: 0.5539134946440587 Energy: 0.5573621464525288 Energy: 0.6288136748187849 Energy: 0.5573621464516875 Energy: 0.6288136748157663 Energy: 0.5573621464519845 Energy: 0.6288136748163107 Energy: 0.5851182654984757 Energy: 0.5155473056881595 Energy: 0.5851182655022861 Energy: 0.515547305688407 Energy: 0.5851182654976345 Energy: 0.515547305688407 Energy: 0.4910847014492611 Energy: 0.5167243408192848 Energy: 0.4910847014492611 Energy: 0.5167243408192848 Energy: 0.4910847014490137 Energy: 0.5167243408187405 Energy: 0.5261562533280894 Energy: 0.5534147843945801 Energy: 0.5261562533280894 Energy: 0.5534147843839409 Energy: 0.5261562533283862 Energy: 0.5534147843913141 Energy: 0.5548376692085701 Energy: 0.5562749274887395 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0.49543046798726875 Energy: 0.5095811913974019 Energy: 0.49543046798588314 Energy: 0.5095811913979461 Energy: 0.4954304679869719 Energy: 0.47608025256506814 Energy: 0.5402892317351318 Energy: 0.47608025256754244 Energy: 0.5402892317348349 Energy: 0.4760802525661568 Energy: 0.5402892317353792 Energy: 0.5533750900600017 Energy: 0.5576959734118117 Energy: 0.5533750900597544 Energy: 0.5576959734118117 Energy: 0.5533750900600017 Energy: 0.5576959734118117 Energy: 0.5250330891506213 Energy: 0.5589873604392307 Energy: 0.5250330891503243 Energy: 0.5589873604334904 Energy: 0.5250330891495326 Energy: 0.5589873604354203 minimum gb energy = 0.4647664027836082 eV minimum distance = 2.56140279961084 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.5843057050341984 Energy: 0.5240599608961864 Energy: 0.5571931779806405 Energy: 0.5240599608958129 Energy: 0.5843057050345719 Energy: 0.5240599608958129 Energy: 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Energy: 0.5792695902146451 Energy: 0.4671643853443172 Energy: 0.5544066416026315 Energy: 0.4671643853443172 Energy: 0.5544066416022579 Energy: 0.4671643853450644 Energy: 0.5544066416026315 Energy: 0.46843584071095823 Energy: 0.5075850834754669 Energy: 0.4684358407105847 Energy: 0.5075850834769612 Energy: 0.4684358407113318 Energy: 0.5075850834765876 Energy: 0.5535641689610432 Energy: 0.6751476834408273 Energy: 0.5535656272644788 Energy: 0.6751476834404537 Energy: 0.5535641689599226 Energy: 0.6751476834408273 Energy: 0.5506642102783281 Energy: 0.5619201760849741 Energy: 0.5506642102779545 Energy: 0.5619201760864344 Energy: 0.5506642102779545 Energy: 0.5619201760875551 Energy: 0.5655383545194986 Energy: 0.5545951629816489 Energy: 0.5655383545202457 Energy: 0.5545951629842638 Energy: 0.5655383545198722 Energy: 0.5545951629827696 Energy: 0.5269146106057799 Energy: 0.49345054228117574 Energy: 0.5269146106057799 Energy: 0.4934505422826699 Energy: 0.5269146106046593 Energy: 0.4934505422826699 minimum gb energy = 0.4666938480163524 eV minimum distance = 2.70658664107135 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 0.5878440011519325 Energy: 0.5085777000564666 Energy: 0.5878440011519325 Energy: 0.5085777000564666 Energy: 0.5878440011523913 Energy: 0.5085777000564666 Energy: 0.5997420629838534 Energy: 0.4803804431358792 Energy: 0.5997420629833945 Energy: 0.48038044313542033 Energy: 0.5997420629833945 Energy: 0.48038044313542033 Energy: 0.5320402664144922 Energy: 0.606881237652228 Energy: 0.5320402664144922 Energy: 0.606881237652228 Energy: 0.5320402664144922 Energy: 0.606881237652228 Energy: 0.5741062774843599 Energy: 0.49471863986679826 Energy: 0.5741062774843599 Energy: 0.49471863986725706 Energy: 0.5741062774843599 Energy: 0.49471863986725706 Energy: 0.5263157105232424 Energy: 0.5062337254998621 Energy: 0.5263157105232424 Energy: 0.5062337254998621 Energy: 0.5263157105232424 Energy: 0.5062337254994033 Energy: 0.5370309027932927 Energy: 0.5206117608123291 Energy: 0.5370309027932927 Energy: 0.5206117608123291 Energy: 0.5370309027932927 Energy: 0.5206117608123291 Energy: 0.5396825949537598 Energy: 0.5656379581920009 Energy: 0.5396825949537598 Energy: 0.5656379581920009 Energy: 0.5396825949542187 Energy: 0.5656379581920009 Energy: 0.49320004882255875 Energy: 0.5249281946964872 Energy: 0.49320004882209983 Energy: 0.5249281946969461 Energy: 0.49320004882255875 Energy: 0.5249281946969461 Energy: 0.6028767690948612 Energy: 0.47588475725053425 Energy: 0.6028767690948612 Energy: 0.47588475725053425 Energy: 0.6028767690948612 Energy: 0.4758847572509931 Energy: 0.4981452918595447 Energy: 0.5758595714534663 Energy: 0.49814529186000356 Energy: 0.5758595714539251 Energy: 0.49814529186000356 Energy: 0.5758595714534663 Energy: 0.5923098439983581 Energy: 0.5203780033901566 Energy: 0.5923098439988169 Energy: 0.5203780033892389 Energy: 0.5923098439983581 Energy: 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Energy: 0.5246179454928435 Energy: 0.5385408638064085 Energy: 0.52461794549422 Energy: 0.5385408638059497 Energy: 0.5381410337201812 Energy: 0.5208396235498336 Energy: 0.5381410337201812 Energy: 0.5208396235498336 Energy: 0.5381410337201812 Energy: 0.5208396235493746 minimum gb energy = 0.47504121654773784 eV minimum distance = 2.65621449765092 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5319245116084038 Energy: 0.4795458130576382 Energy: 0.5319245116084038 Energy: 0.4795458130576382 Energy: 0.5319245116084038 Energy: 0.4795458130576382 Energy: 0.5068419166670535 Energy: 0.4534842052800808 Energy: 0.5068419166664594 Energy: 0.4534842052800808 Energy: 0.5068419166670535 Energy: 0.4534842052794867 Energy: 0.5440653693098545 Energy: 0.5657857089233632 Energy: 0.5440653693098545 Energy: 0.5657857089233632 Energy: 0.5440653693092604 Energy: 0.5657857089233632 Energy: 0.6511778545244112 Energy: 0.5019491983625052 Energy: 0.6511778545244112 Energy: 0.5019491983625052 Energy: 0.6511778545250053 Energy: 0.5019491983625052 Energy: 0.6467137848619552 Energy: 0.5686422568613985 Energy: 0.6467137848619552 Energy: 0.5686422568608044 Energy: 0.6467137848619552 Energy: 0.5686422568608044 Energy: 0.5420623256849726 Energy: 0.5106631331933309 Energy: 0.5420623256855668 Energy: 0.5106631331915485 Energy: 0.5420623256849726 Energy: 0.5106631331951133 Energy: 0.5354791719310645 Energy: 0.5545530883249992 Energy: 0.5354791719304703 Energy: 0.5545530883249992 Energy: 0.5354791719310645 Energy: 0.5545530883249992 Energy: 0.5541660993453958 Energy: 0.4804508620020111 Energy: 0.5541660993453958 Energy: 0.4804508620020111 Energy: 0.5541660993453958 Energy: 0.4804508620020111 Energy: 0.5936148935401286 Energy: 0.5270036404413828 Energy: 0.5936148935395347 Energy: 0.5270036404413828 Energy: 0.5936148935401286 Energy: 0.527003640441977 Energy: 0.4604924766843394 Energy: 0.5093148336542505 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Energy: 0.5788340944569507 Energy: 0.5350962428732426 Energy: 0.5091570583034148 Energy: 0.5272822880775676 Energy: 0.5091570583034148 Energy: 0.5272822880775676 Energy: 0.5091570583034148 Energy: 0.5272822880775676 Energy: 0.5982468863681204 Energy: 0.5161686343274341 Energy: 0.5982468863681204 Energy: 0.5161686348518062 Energy: 0.5982468863681204 Energy: 0.5161686352449095 minimum gb energy = 0.4534842052794867 eV minimum distance = 2.55395572303442 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.597039850928849 Energy: 0.47506826589271073 Energy: 0.597039850928849 Energy: 0.47506826589271073 Energy: 0.597039850928849 Energy: 0.47506826589271073 Energy: 0.5123496699750449 Energy: 0.4510950385040652 Energy: 0.5123496699750449 Energy: 0.45109503850322497 Energy: 0.5123496699750449 Energy: 0.4510950385040652 Energy: 0.5147885847056105 Energy: 0.5117067156219385 Energy: 0.5147885847056105 Energy: 0.5117067156227786 Energy: 0.5147885847056105 Energy: 0.5117067156219385 Energy: 0.5651537345360651 Energy: 0.49668016393230163 Energy: 0.5651537345360651 Energy: 0.49668016393230163 Energy: 0.5651537345360651 Energy: 0.49668016393230163 Energy: 0.5636041857554692 Energy: 0.5638109806016744 Energy: 0.5636041857554692 Energy: 0.5638109806016744 Energy: 0.5636041857554692 Energy: 0.5638109806016744 Energy: 0.4822008054772728 Energy: 0.5098846637022735 Energy: 0.4822008054764327 Energy: 0.5098846637022735 Energy: 0.4822008054764327 Energy: 0.5098846637022735 Energy: 0.5096994504812733 Energy: 0.45499638193309533 Energy: 0.5096994504812733 Energy: 0.45499638193309533 Energy: 0.5096994504812733 Energy: 0.45499638193309533 Energy: 0.5650264229834717 Energy: 0.5634281211637635 Energy: 0.5650264229826315 Energy: 0.5634281211637635 Energy: 0.5650264229826315 Energy: 0.5634281211637635 Energy: 0.4855165801574027 Energy: 0.45094853162852805 Energy: 0.4855165801574027 Energy: 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Energy: 0.48188122646785353 Energy: 0.5655355152932308 Energy: 0.4816932618650445 Energy: 0.6121005326653296 Energy: 0.4816932618650445 Energy: 0.6121005326653296 Energy: 0.4816932618650445 Energy: 0.6121005326653296 Energy: 0.47699286161821375 Energy: 0.5092799382415776 Energy: 0.4769928616190539 Energy: 0.5092799382415776 Energy: 0.4769928616190539 Energy: 0.5092799382415776 minimum gb energy = 0.4357147550330371 eV minimum distance = 2.62590474887421 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.5709537359282216 Energy: 0.44144318074306793 Energy: 0.570953735928546 Energy: 0.44144318074339234 Energy: 0.5709537359282216 Energy: 0.44144318074339234 Energy: 0.49707851997716324 Energy: 0.4309345889800505 Energy: 0.49707851997716324 Energy: 0.4309345889803749 Energy: 0.49707851997716324 Energy: 0.4309345889803749 Energy: 0.4650100040934717 Energy: 0.4932452520317185 Energy: 0.4650100040937962 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Energy: 0.49707851997813657 Energy: 0.5059657502599196 Energy: 0.49707851997813657 Energy: 0.5059657502605686 Energy: 0.49707851997813657 Energy: 0.5059657502602442 Energy: 0.4650100040931473 Energy: 0.4932452520307451 Energy: 0.4650100040934717 Energy: 0.49324525203042063 Energy: 0.4650100040934717 Energy: 0.49324525203042063 Energy: 0.5379775364643328 Energy: 0.45700464143638275 Energy: 0.5379775364643328 Energy: 0.45700464143703173 Energy: 0.5379775364643328 Energy: 0.45700464143638275 Energy: 0.5664190849008985 Energy: 0.488223484998217 Energy: 0.5664190849008985 Energy: 0.488223484997922 Energy: 0.5664190849008985 Energy: 0.4882234849975975 minimum gb energy = 0.4121742037391361 eV minimum distance = 2.53425027557058 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.545328655452487 Energy: 0.4125726896176615 Energy: 0.5453286554519586 Energy: 0.4125726896171332 Energy: 0.5453286554519586 Energy: 0.412572689616605 Energy: 0.4586995983353312 Energy: 0.4648858043158048 Energy: 0.4586995983353312 Energy: 0.46488580431527654 Energy: 0.4586995983353312 Energy: 0.46488580431474824 Energy: 0.4500202663189235 Energy: 0.4640837451755067 Energy: 0.4500202663189235 Energy: 0.4640837451755067 Energy: 0.4500202663183952 Energy: 0.4640837451755067 Energy: 0.517140233242394 Energy: 0.4403094231492637 Energy: 0.517140233242394 Energy: 0.4403094231487354 Energy: 0.517140233242394 Energy: 0.4403094231492637 Energy: 0.5145581048999517 Energy: 0.40436376805788593 Energy: 0.5145581048999517 Energy: 0.4043637680584143 Energy: 0.5145581048999517 Energy: 0.4043637680584143 Energy: 0.43584950520417093 Energy: 0.40647796205826553 Energy: 0.4358495052036427 Energy: 0.4064779620577373 Energy: 0.43584950520417093 Energy: 0.40647796205826553 Energy: 0.5101130529943895 Energy: 0.4309364064672907 Energy: 0.5101130529949178 Energy: 0.43093640646676246 Energy: 0.5101130529938612 Energy: 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Energy: 0.42599038780660725 Energy: 0.4118178251115177 Energy: 0.42599038780713555 Energy: 0.41181782511415915 Energy: 0.42599038780660725 Energy: 0.398983734681131 Energy: 0.47704221079099984 Energy: 0.398983734681131 Energy: 0.4770422107920564 Energy: 0.3989837346806028 Energy: 0.47704221078624537 minimum gb energy = 0.3914541117798789 eV minimum distance = 2.53761341775571 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5008702808640686 Energy: 0.37448921534479224 Energy: 0.5008702808640686 Energy: 0.3744892153451771 Energy: 0.5008702808640686 Energy: 0.3744892153451771 Energy: 0.4040646166590705 Energy: 0.41685710655597474 Energy: 0.4040646166590705 Energy: 0.41685710655597474 Energy: 0.40406461665984034 Energy: 0.41685710655558983 Energy: 0.39504761600585925 Energy: 0.4180235821930757 Energy: 0.39504761600585925 Energy: 0.4180235821946152 Energy: 0.39504761600585925 Energy: 0.41802358219192093 Energy: 0.4740947890652022 Energy: 0.3818237350582202 Energy: 0.4740947890648173 Energy: 0.3818237350582202 Energy: 0.4740947890652022 Energy: 0.3818237350578353 Energy: 0.44392530501987565 Energy: 0.40476518260409833 Energy: 0.44392530501987565 Energy: 0.40476518260409833 Energy: 0.44392530501987565 Energy: 0.40476518260409833 Energy: 0.37881511319750993 Energy: 0.4062424711267305 Energy: 0.37881511319750993 Energy: 0.4062424711267305 Energy: 0.37881511319750993 Energy: 0.4062424711267305 Energy: 0.4559886982572924 Energy: 0.37714717345803206 Energy: 0.45598869825498295 Energy: 0.37714717345803206 Energy: 0.4559886982534433 Energy: 0.37714717345803206 Energy: 0.4717837977028383 Energy: 0.44456304331925706 Energy: 0.4717837977032232 Energy: 0.4445630433196419 Energy: 0.4717837977028383 Energy: 0.44456304331925706 Energy: 0.3693733565571042 Energy: 0.4038144902394909 Energy: 0.36937335655748915 Energy: 0.4038144902387211 Energy: 0.3693733565571042 Energy: 0.40381449023910604 Energy: 0.40993806041380043 Energy: 0.3640072642152617 Energy: 0.4099380604022532 Energy: 0.3640072642152617 Energy: 0.40993806040109854 Energy: 0.3640072642148767 Energy: 0.4372154721038084 Energy: 0.4363654737661776 Energy: 0.4372154721038084 Energy: 0.43636547376502294 Energy: 0.4372154721038084 Energy: 0.43636547376540785 Energy: 0.3872824460968275 Energy: 0.40325710464876446 Energy: 0.3872824460972123 Energy: 0.40325710464876446 Energy: 0.3872824460972123 Energy: 0.4032571046483796 Energy: 0.4096444824101765 Energy: 0.3552817151163292 Energy: 0.4096444824101765 Energy: 0.3552817151167141 Energy: 0.4096444824101765 Energy: 0.35528171511709905 Energy: 0.4453858865882937 Energy: 0.44308080531464794 Energy: 0.4453858865882937 Energy: 0.44308080531464794 Energy: 0.44538588658867856 Energy: 0.44308080531503286 Energy: 0.4064399833262494 Energy: 0.40315313073056275 Energy: 0.40643998332047576 Energy: 0.4031531307313326 Energy: 0.4064399833454947 Energy: 0.40315313073094766 Energy: 0.4147732508392726 Energy: 0.3761936285643321 Energy: 0.4147732508400423 Energy: 0.3761936285643321 Energy: 0.4147732508404272 Energy: 0.3761936285643321 Energy: 0.4499850654019021 Energy: 0.4427081118225225 Energy: 0.4499850654019021 Energy: 0.4427081118225225 Energy: 0.4499850654015172 Energy: 0.4427081118225225 Energy: 0.37066313560802033 Energy: 0.4597618677923 Energy: 0.3706631356076354 Energy: 0.4597618677926849 Energy: 0.37066313560802033 Energy: 0.45976186779153017 Energy: 0.4055594654497466 Energy: 0.39332550061483335 Energy: 0.4055594654497466 Energy: 0.39332550061483335 Energy: 0.4055594654497466 Energy: 0.3933255006152182 Energy: 0.4626389707125638 Energy: 0.4443620287036209 Energy: 0.46263897071294874 Energy: 0.4443620287036209 Energy: 0.46263897071294874 Energy: 0.44436202870400576 Energy: 0.38488745642696187 Energy: 0.4914012954033147 Energy: 0.38488745642619204 Energy: 0.49140129540408445 Energy: 0.38488745642696187 Energy: 0.49140129540408445 Energy: 0.4208922839668059 Energy: 0.4059883010757581 Energy: 0.42089228396642103 Energy: 0.4059883010757581 Energy: 0.42089228396642103 Energy: 0.4059883010757581 Energy: 0.42411001361077966 Energy: 0.4005529953773537 Energy: 0.4241100136115495 Energy: 0.4005529953773537 Energy: 0.4241100136115495 Energy: 0.4005529953773537 Energy: 0.42505526168659186 Energy: 0.4905367824482413 Energy: 0.4250552616873617 Energy: 0.4905367824486261 Energy: 0.42505526168659186 Energy: 0.4905367824482413 Energy: 0.40519014043372004 Energy: 0.4055126133116836 Energy: 0.40519014043372004 Energy: 0.40551261331129873 Energy: 0.4051901404333351 Energy: 0.40551261331129873 Energy: 0.40401072966194684 Energy: 0.38285820507125107 Energy: 0.40401072966233176 Energy: 0.38285820507125107 Energy: 0.40401072966233176 Energy: 0.38285820507125107 Energy: 0.3809725711852453 Energy: 0.4666218839840903 Energy: 0.3941142447183969 Energy: 0.4666218839840903 Energy: 0.3816795510940531 Energy: 0.4666218839840903 Energy: 0.3394098516828317 Energy: 0.39845574743763224 Energy: 0.3394098516828317 Energy: 0.3984557474372473 Energy: 0.33940985168244686 Energy: 0.3984557474368624 Energy: 0.35999901197921336 Energy: 0.3681000457311806 Energy: 0.3599990119811379 Energy: 0.36810004573079563 Energy: 0.3599990119795982 Energy: 0.3681000457311806 Energy: 0.3633308018502185 Energy: 0.45002526811558463 Energy: 0.3633308018498336 Energy: 0.45002526811558463 Energy: 0.36333080184944866 Energy: 0.45002526811558463 Energy: 0.39351300262731753 Energy: 0.4823581880741295 Energy: 0.3986659258206282 Energy: 0.4823581880741295 Energy: 0.3986659258202433 Energy: 0.4823581880741295 Energy: 0.40142022748843265 Energy: 0.36279802881202267 Energy: 0.40142022748843265 Energy: 0.3627980288116378 Energy: 0.4014202274888175 Energy: 0.36279802881202267 Energy: 0.3555931821930082 Energy: 0.48240310576490975 Energy: 0.3555931821926233 Energy: 0.4824031057641399 Energy: 0.3555931821930082 Energy: 0.48240310576452483 Energy: 0.44310705840043746 Energy: 0.4413747727896208 Energy: 0.44310705839928266 Energy: 0.4413747727896208 Energy: 0.4431070584008223 Energy: 0.4413747727907755 Energy: 0.4007873119047115 Energy: 0.39441415893263465 Energy: 0.40078731190509637 Energy: 0.3944141589318648 Energy: 0.40078731190509637 Energy: 0.3944141589334045 Energy: 0.3340713785578398 Energy: 0.4047347931735063 Energy: 0.3340713785574549 Energy: 0.4047347931738912 Energy: 0.3340713785574549 Energy: 0.4047347931731214 minimum gb energy = 0.3340713785574549 eV minimum distance = 2.54998437596911 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.15995498787069548 Energy: 0.18152675860976106 Energy: 0.0836558354749953 Energy: 0.18152675860988965 Energy: 0.15995498787055082 Energy: 0.18152675861003428 Energy: 0.3149459986524582 Energy: 0.08453749768891813 Energy: 0.31494599865218503 Energy: 0.08453749769004311 Energy: 0.31494599865232964 Energy: 0.08453749769004311 Energy: 0.3324909077995034 Energy: 0.08393161283010889 Energy: 0.33249090779963203 Energy: 0.08393161282996427 Energy: 0.3324909077995034 Energy: 0.08393161282981962 Energy: 0.08365583547472209 Energy: 0.18152675861003428 Energy: 0.0836558354749953 Energy: 0.1815267586101789 Energy: 0.0836558354749953 Energy: 0.1815267586101789 Energy: 0.3149459986517511 Energy: 0.08453749769060559 Energy: 0.31494599865162254 Energy: 0.08453749768919136 Energy: 0.3149459986517511 Energy: 0.08453749769060559 Energy: 0.3324909077997767 Energy: 0.08393161283010889 Energy: 0.33249090779992124 Energy: 0.08393161283010889 Energy: 0.3324909077997767 Energy: 0.08393161282996427 Energy: 0.15995498787055082 Energy: 0.18152675861003428 Energy: 0.0836558354749953 Energy: 0.18152675860988965 Energy: 0.15995498787055082 Energy: 0.1815267586101789 Energy: 0.31494599865204037 Energy: 0.08453749768665215 Energy: 0.31494599865189576 Energy: 0.0845374976855272 Energy: 0.31494599865189576 Energy: 0.08453749768496473 Energy: 0.33249090779963203 Energy: 0.08393161283010889 Energy: 0.33249090779963203 Energy: 0.08393161283010889 Energy: 0.33249090779963203 Energy: 0.08393161282996427 Energy: 0.0836558354749953 Energy: 0.18152675861032355 Energy: 0.08365583547513994 Energy: 0.18152675861032355 Energy: 0.08365583547513994 Energy: 0.1815267586104682 minimum gb energy = 0.08365583547472209 eV minimum distance = 2.78990155131587 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.4486980081622115 Energy: 0.39061088807370914 Energy: 0.4486980081626348 Energy: 0.3906108880745555 Energy: 0.4486980081626348 Energy: 0.39061088807370914 Energy: 0.396735615011595 Energy: 0.42525492586142083 Energy: 0.39673561501117177 Energy: 0.42525492586184405 Energy: 0.396735615011595 Energy: 0.42525492586184405 Energy: 0.41015977114439506 Energy: 0.4262690697899023 Energy: 0.4246343852346147 Energy: 0.4262690697899023 Energy: 0.4100941726455512 Energy: 0.4262690697899023 Energy: 0.4267006050516063 Energy: 0.39989996949023926 Energy: 0.4267006050516063 Energy: 0.39989996948981604 Energy: 0.4267006050516063 Energy: 0.39989996948981604 Energy: 0.3833077973503659 Energy: 0.4257585742030647 Energy: 0.3833077973503659 Energy: 0.4257585742030647 Energy: 0.3833077973507891 Energy: 0.4257585742030647 Energy: 0.409937217989487 Energy: 0.4099006083841092 Energy: 0.409937217989487 Energy: 0.4099006083841092 Energy: 0.409937217989487 Energy: 0.4099006083841092 Energy: 0.41527674892887206 Energy: 0.42343556630203816 Energy: 0.41527674892887206 Energy: 0.4234355663024614 Energy: 0.4152767489284488 Energy: 0.42343556630203816 Energy: 0.3555771455128961 Energy: 0.4257692544912861 Energy: 0.3555771455124729 Energy: 0.4257692544917093 Energy: 0.3555771455124729 Energy: 0.4257692544912861 Energy: 0.41403834649487276 Energy: 0.41189418552867496 Energy: 0.41403834649529603 Energy: 0.4118941855290982 Energy: 0.41403834649487276 Energy: 0.4118941855290982 Energy: 0.4158590528123307 Energy: 0.397037415815448 Energy: 0.4158590528127539 Energy: 0.397037415815448 Energy: 0.4158590528123307 Energy: 0.397037415815448 Energy: 0.36756603323356196 Energy: 0.4323488530676139 Energy: 0.36756603323356196 Energy: 0.4323488530684603 Energy: 0.36756603323356196 Energy: 0.4323488530676139 Energy: 0.41675964669035953 Energy: 0.42269068183553354 Energy: 0.41675964669035953 Energy: 0.42269068183595676 Energy: 0.41675964669035953 Energy: 0.42269068183553354 Energy: 0.42612246702926515 Energy: 0.35325110177024904 Energy: 0.4261224670279955 Energy: 0.35325110177024904 Energy: 0.42612246702884193 Energy: 0.3532511017698258 Energy: 0.4045515331406965 Energy: 0.41465045378216353 Energy: 0.40455153314111975 Energy: 0.41465045378216353 Energy: 0.40455153314111975 Energy: 0.41465045378216353 Energy: 0.4176557991947956 Energy: 0.41925271356821847 Energy: 0.4176557991943724 Energy: 0.41925271356821847 Energy: 0.4176557991943724 Energy: 0.41925271356821847 Energy: 0.4249202452228641 Energy: 0.35170976436857976 Energy: 0.4249202452224408 Energy: 0.35170976436857976 Energy: 0.4249202452228641 Energy: 0.351709764369003 Energy: 0.3997597722114999 Energy: 0.42206578806027956 Energy: 0.39975977221192316 Energy: 0.42206578806027956 Energy: 0.3997597722123464 Energy: 0.42206578806027956 Energy: 0.4246186290981908 Energy: 0.40743220190169604 Energy: 0.4246186290981908 Energy: 0.4074322019012728 Energy: 0.4246186290981908 Energy: 0.40743220190169604 Energy: 0.42447634027673464 Energy: 0.39083362617213235 Energy: 0.4244763402763115 Energy: 0.39083362617213235 Energy: 0.42447634027673464 Energy: 0.39083362617213235 Energy: 0.4231914384828501 Energy: 0.4402939273520704 Energy: 0.4231914384828501 Energy: 0.4402939273520704 Energy: 0.4231914384828501 Energy: 0.4402939273524936 Energy: 0.4104384040937765 Energy: 0.39778276326033507 Energy: 0.4104384040937765 Energy: 0.39778276326033507 Energy: 0.41043840409419974 Energy: 0.39778276326033507 Energy: 0.4281758693414241 Energy: 0.40001662275169864 Energy: 0.42817586934184737 Energy: 0.40001662275169864 Energy: 0.4281758693414241 Energy: 0.40001662275127536 Energy: 0.3970602687790076 Energy: 0.44138275692709555 Energy: 0.3970602687790076 Energy: 0.44138275692709555 Energy: 0.3970602687790076 Energy: 0.44138275692709555 Energy: 0.4217087571485518 Energy: 0.38857051390845243 Energy: 0.4217087571485518 Energy: 0.38857051390845243 Energy: 0.4217087571485518 Energy: 0.3885705139088757 Energy: 0.4141581426699957 Energy: 0.4211934791151525 Energy: 0.4141581426699957 Energy: 0.4211934791151525 Energy: 0.4141581426699957 Energy: 0.4211934791151525 Energy: 0.38446855398946916 Energy: 0.41585616244035384 Energy: 0.38446855398904595 Energy: 0.41585616244035384 Energy: 0.38446855398904595 Energy: 0.41585616244035384 Energy: 0.4437492475721958 Energy: 0.40137878347705885 Energy: 0.4437492475721958 Energy: 0.40137878347705885 Energy: 0.443749247572619 Energy: 0.40137878347705885 Energy: 0.4074486066150947 Energy: 0.4153062594377077 Energy: 0.4074486066150947 Energy: 0.4153062594377077 Energy: 0.40744860661551785 Energy: 0.4153062594377077 Energy: 0.36928997923344414 Energy: 0.4257569880331802 Energy: 0.36928997923344414 Energy: 0.4257569880331802 Energy: 0.36928997923344414 Energy: 0.4257569880331802 Energy: 0.4128214146557347 Energy: 0.4173033370267438 Energy: 0.4128214146557347 Energy: 0.41730333702632055 Energy: 0.4128214146557347 Energy: 0.41730333702632055 Energy: 0.4130516281998378 Energy: 0.42124963204204735 Energy: 0.4130516281998378 Energy: 0.42124963204204735 Energy: 0.4130516281998378 Energy: 0.42124963204204735 Energy: 0.394556543565906 Energy: 0.4192340845124382 Energy: 0.3945565435663293 Energy: 0.4192340845124382 Energy: 0.394556543565906 Energy: 0.4192340845124382 Energy: 0.41095995113389433 Energy: 0.4246148927762266 Energy: 0.4109599511343176 Energy: 0.4246148927758034 Energy: 0.4109599511343176 Energy: 0.4246148927762266 minimum gb energy = 0.35170976436857976 eV minimum distance = 2.65185149076925 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.5056156175592798 Energy: 0.4616135634119793 Energy: 0.5056156175592798 Energy: 0.4616135634119793 Energy: 0.5056156175592798 Energy: 0.4616135634119793 Energy: 0.4604939638516091 Energy: 0.4863967977237769 Energy: 0.46049396385100605 Energy: 0.4863967977207891 Energy: 0.4604939638516091 Energy: 0.4863967977213648 Energy: 0.482593910530928 Energy: 0.4861169090823154 Energy: 0.482593910530928 Energy: 0.4861169090823154 Energy: 0.482593910531531 Energy: 0.4861169090823154 Energy: 0.48926645527264967 Energy: 0.4551036983228898 Energy: 0.48926645527264967 Energy: 0.4551036983228898 Energy: 0.48926645527325274 Energy: 0.4551036983222869 Energy: 0.4479433069598448 Energy: 0.48753653439783584 Energy: 0.4479433069598448 Energy: 0.4875365343966298 Energy: 0.4479433069604478 Energy: 0.4875365343972328 Energy: 0.4939669067638884 Energy: 0.486534533168415 Energy: 0.4939669067638884 Energy: 0.486534533168415 Energy: 0.49396690676449145 Energy: 0.486534533168415 Energy: 0.48095331375705325 Energy: 0.4846872189337262 Energy: 0.4809533137564502 Energy: 0.4846872189343292 Energy: 0.4809533137576563 Energy: 0.4846872189337262 Energy: 0.47081700135002946 Energy: 0.4871155380680455 Energy: 0.4708170013494264 Energy: 0.4871155380680455 Energy: 0.4708170013494264 Energy: 0.4871155380680455 Energy: 0.4947708517116425 Energy: 0.4910299690979537 Energy: 0.4947708517116425 Energy: 0.49102996909735075 Energy: 0.4947708517116425 Energy: 0.49102996909735075 Energy: 0.47704139013480196 Energy: 0.4217634919160871 Energy: 0.47704139013480196 Energy: 0.4217634919160871 Energy: 0.47704139013480196 Energy: 0.4217634919160871 Energy: 0.4837697938842185 Energy: 0.4823142840381417 Energy: 0.48376979388482144 Energy: 0.48231428403874477 Energy: 0.48376979388482144 Energy: 0.48231428403874477 Energy: 0.47727833455843066 Energy: 0.4765314408836456 Energy: 0.47727833455843066 Energy: 0.4765314408830425 Energy: 0.47727833455843066 Energy: 0.4765314408836456 Energy: 0.47723325575876324 Energy: 0.480380761612975 Energy: 0.47723325575876324 Energy: 0.480380761612975 Energy: 0.47723325575876324 Energy: 0.4803807616123719 Energy: 0.4859138939014207 Energy: 0.48758550728288996 Energy: 0.4859138939014207 Energy: 0.48758550728288996 Energy: 0.4859138939014207 Energy: 0.48758550728288996 Energy: 0.45964927604446154 Energy: 0.4583328182838298 Energy: 0.4596492760450645 Energy: 0.4583328182838298 Energy: 0.4596492760450645 Energy: 0.4583328182838298 Energy: 0.49202292420072785 Energy: 0.47596898644268754 Energy: 0.49202292420072785 Energy: 0.47596898644268754 Energy: 0.49202292420072785 Energy: 0.47596898644268754 Energy: 0.45544330982156095 Energy: 0.49518728566914616 Energy: 0.4554433098221639 Energy: 0.4951872856685431 Energy: 0.4554433098221639 Energy: 0.49518728566794007 Energy: 0.4731563954992481 Energy: 0.44904633266979693 Energy: 0.4731563954992481 Energy: 0.44904633266979693 Energy: 0.47315639549985117 Energy: 0.44904633266979693 Energy: 0.4710915288123445 Energy: 0.4935744505191258 Energy: 0.4710915288123445 Energy: 0.4935744505185228 Energy: 0.4710915288129476 Energy: 0.4935744505185228 Energy: 0.49644239574701654 Energy: 0.4982313846272474 Energy: 0.49644239574641347 Energy: 0.4982313846272474 Energy: 0.49644239574701654 Energy: 0.4982313846272474 Energy: 0.49769945584632386 Energy: 0.45064018360505553 Energy: 0.49769945584632386 Energy: 0.45064018360505553 Energy: 0.4976994558469269 Energy: 0.45064018360505553 Energy: 0.49495021032821473 Energy: 0.5096170180368936 Energy: 0.49495021032761166 Energy: 0.5096170180362906 Energy: 0.49495021032821473 Energy: 0.5096170180368936 Energy: 0.4699016149381781 Energy: 0.4969811138664067 Energy: 0.4699016149387812 Energy: 0.4969811138658037 Energy: 0.4699016149387812 Energy: 0.4969811138664067 minimum gb energy = 0.4217634919160871 eV minimum distance = 2.59046133038576 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5352593790977607 Energy: 0.4820533869189352 Energy: 0.5352593790977607 Energy: 0.48205338691855254 Energy: 0.5352593790973781 Energy: 0.4820533869189352 Energy: 0.4954107645019128 Energy: 0.5187763543448815 Energy: 0.4954107645022953 Energy: 0.5187763543448815 Energy: 0.4954107645019128 Energy: 0.5187763543448815 Energy: 0.5267940470820633 Energy: 0.5184871516770818 Energy: 0.5267940470816806 Energy: 0.5184871516770818 Energy: 0.5267940470820633 Energy: 0.5184871516770818 Energy: 0.5282341787126831 Energy: 0.4829422948599988 Energy: 0.5282341787130657 Energy: 0.48294229486076384 Energy: 0.5282341787126831 Energy: 0.48294229486076384 Energy: 0.49279835010175005 Energy: 0.5348267458826995 Energy: 0.49279835010213263 Energy: 0.5348267458826995 Energy: 0.49279835010175005 Energy: 0.5348267458826995 Energy: 0.5560133274311256 Energy: 0.5289730396988357 Energy: 0.5560133274311256 Energy: 0.5337898076048712 Energy: 0.5560133274307432 Energy: 0.5337898076048712 Energy: 0.4882414368513255 Energy: 0.536150018095105 Energy: 0.488241436851708 Energy: 0.5361500180947224 Energy: 0.488241436851708 Energy: 0.5361500180947224 Energy: 0.5167411670187402 Energy: 0.5238615981554681 Energy: 0.5167411670183576 Energy: 0.5238615981558505 Energy: 0.5167411670187402 Energy: 0.5238615981554681 Energy: 0.5135644916882205 Energy: 0.5331821277327871 Energy: 0.5135644916882205 Energy: 0.5331821277327871 Energy: 0.5135644916882205 Energy: 0.5331821277324046 Energy: 0.5522275129616528 Energy: 0.5096962963795457 Energy: 0.5522275129624179 Energy: 0.5306515801127122 Energy: 0.5522275129608877 Energy: 0.5306515801142424 Energy: 0.5271850975517453 Energy: 0.5261846870460863 Energy: 0.5271850975517453 Energy: 0.5261846870460863 Energy: 0.5271850975517453 Energy: 0.5261846870457038 Energy: 0.493291935221276 Energy: 0.4972935587379369 Energy: 0.49329193522165854 Energy: 0.4972935587379369 Energy: 0.49329193522089354 Energy: 0.4972935587379369 Energy: 0.5410208524838528 Energy: 0.5009019972435272 Energy: 0.5410208524834702 Energy: 0.5009019972435272 Energy: 0.5410208524827052 Energy: 0.5009019972435272 Energy: 0.5094428393667649 Energy: 0.5097039587782752 Energy: 0.5094428393667649 Energy: 0.5097039587778927 Energy: 0.5094428393667649 Energy: 0.5097039587778927 Energy: 0.509340828806298 Energy: 0.49772399872939005 Energy: 0.509340828806298 Energy: 0.49772399872939005 Energy: 0.509340828806298 Energy: 0.4977239987290075 Energy: 0.5282009751659182 Energy: 0.5273735525766425 Energy: 0.5282009751659182 Energy: 0.5273735525766425 Energy: 0.5282009751659182 Energy: 0.5273735525770251 Energy: 0.48801554139577913 Energy: 0.5281267650708713 Energy: 0.48801554139539666 Energy: 0.5281267650708713 Energy: 0.48801554139577913 Energy: 0.5281267650708713 Energy: 0.5440473870858755 Energy: 0.5427104180791834 Energy: 0.5440473870858755 Energy: 0.5427104180791834 Energy: 0.5440473870858755 Energy: 0.5427104180791834 Energy: 0.4881454815667159 Energy: 0.5446988426054638 Energy: 0.4881454815659507 Energy: 0.5446988426058464 Energy: 0.4881454815667159 Energy: 0.5446988426058464 Energy: 0.54600866402539 Energy: 0.5191123591478677 Energy: 0.54600866402539 Energy: 0.5191123591482502 Energy: 0.54600866402539 Energy: 0.5191123591478677 Energy: 0.5401896293791829 Energy: 0.5264032892511755 Energy: 0.5401896293788004 Energy: 0.5264032892511755 Energy: 0.5401896293788004 Energy: 0.5264032892515581 Energy: 0.515029075136579 Energy: 0.4873069202594645 Energy: 0.515029075136579 Energy: 0.4873069202594645 Energy: 0.5150290751369615 Energy: 0.4873069202594645 Energy: 0.48468976141651826 Energy: 0.5263385730741288 Energy: 0.4846897614172834 Energy: 0.5263385730737463 Energy: 0.48468976141651826 Energy: 0.5263385730741288 Energy: 0.5388641278191918 Energy: 0.4925183990227441 Energy: 0.5388641278191918 Energy: 0.4925183990227441 Energy: 0.5388641278191918 Energy: 0.4925183990227441 Energy: 0.5208478802228433 Energy: 0.49901401661772116 Energy: 0.5208478802228433 Energy: 0.49901401661772116 Energy: 0.5208478802228433 Energy: 0.49901401661772116 Energy: 0.48526681378823816 Energy: 0.5363638412640569 Energy: 0.48526681378785563 Energy: 0.5363638412640569 Energy: 0.48526681378823816 Energy: 0.5363638412640569 Energy: 0.4883973787590424 Energy: 0.48868471636957345 Energy: 0.4883973787571297 Energy: 0.48868471636995603 Energy: 0.48839737875751216 Energy: 0.48868471636995603 Energy: 0.5411936328823335 Energy: 0.546393025939382 Energy: 0.5411936328823335 Energy: 0.546393025939382 Energy: 0.5411936328823335 Energy: 0.5463930259397645 Energy: 0.5411265397124142 Energy: 0.5346983887742871 Energy: 0.5411265397127968 Energy: 0.5346983887746696 Energy: 0.5411265397124142 Energy: 0.5346983887742871 Energy: 0.4885224048003908 Energy: 0.5115684557352039 Energy: 0.4885224048000082 Energy: 0.5115684557355864 Energy: 0.4885224048003908 Energy: 0.5115684557355864 Energy: 0.5559329907456918 Energy: 0.5436322472280058 Energy: 0.5559329907456918 Energy: 0.5436322472280058 Energy: 0.5559329907456918 Energy: 0.5436322472283884 Energy: 0.49406824896591184 Energy: 0.5193248360764263 Energy: 0.49406824896591184 Energy: 0.5193248360768089 Energy: 0.49406824896591184 Energy: 0.5193248360768089 Energy: 0.5248938494372989 Energy: 0.5304478822945986 Energy: 0.5248938494372989 Energy: 0.5304478822945986 Energy: 0.5248938494365339 Energy: 0.5304478822945986 Energy: 0.5063385935576883 Energy: 0.5186590758941697 Energy: 0.5063385935576883 Energy: 0.5186590758941697 Energy: 0.5063385935580709 Energy: 0.5186590758941697 Energy: 0.4924947271985767 Energy: 0.518486303614828 Energy: 0.4924947271989244 Energy: 0.5184863036144454 Energy: 0.4924947271985767 Energy: 0.5184863036144454 Energy: 0.5419287215740727 Energy: 0.502247142376634 Energy: 0.5419287215740727 Energy: 0.502247142376634 Energy: 0.5419287215740727 Energy: 0.502247142376634 Energy: 0.49236307450647776 Energy: 0.49742021616877063 Energy: 0.49236307450647776 Energy: 0.49742021616877063 Energy: 0.49236307450647776 Energy: 0.49742021616877063 minimum gb energy = 0.48205338691855254 eV minimum distance = 2.63992386514644 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5798750673891483 Energy: 0.5394397906981006 Energy: 0.5798750673891483 Energy: 0.5394397906981006 Energy: 0.5798750673891483 Energy: 0.5394397906981006 Energy: 0.5424500871431486 Energy: 0.5663444135400613 Energy: 0.5424500871431486 Energy: 0.5663444135400613 Energy: 0.5424500871431486 Energy: 0.5663444135400613 Energy: 0.6135853917421047 Energy: 0.5662963103321601 Energy: 0.6161627816500957 Energy: 0.5662963103321601 Energy: 0.5981427505253201 Energy: 0.5662963103321601 Energy: 0.5867460802107423 Energy: 0.6053391893845793 Energy: 0.5867460802096978 Energy: 0.6053391893845793 Energy: 0.5867460802096978 Energy: 0.6053391893845793 Energy: 0.5947563470201422 Energy: 0.5720576357585195 Energy: 0.5947563470201422 Energy: 0.5720576357585195 Energy: 0.5947563470201422 Energy: 0.5720576357585195 Energy: 0.5958750908531806 Energy: 0.5803470387823072 Energy: 0.5958750908531806 Energy: 0.5803470387823072 Energy: 0.5958750908531806 Energy: 0.5803470387823072 Energy: 0.5793345593312131 Energy: 0.5406461774975568 Energy: 0.5793345593312131 Energy: 0.5406461774975568 Energy: 0.5793345593312131 Energy: 0.5406461774975568 Energy: 0.5624311581358209 Energy: 0.564918946993505 Energy: 0.5624311581358209 Energy: 0.5649189469945494 Energy: 0.5624311581358209 Energy: 0.5649189469945494 Energy: 0.5437028393452304 Energy: 0.5371692539739215 Energy: 0.5437028393452304 Energy: 0.537169253972877 Energy: 0.5437028393452304 Energy: 0.537169253972877 Energy: 0.5807980549058759 Energy: 0.5509527108622337 Energy: 0.5807980549058759 Energy: 0.5509527108611891 Energy: 0.5807980549058759 Energy: 0.5509527108611891 Energy: 0.5441402715308389 Energy: 0.5664870057545073 Energy: 0.5441402715308389 Energy: 0.5664870057545073 Energy: 0.5441402715308389 Energy: 0.5664870057545073 Energy: 0.5671028840999085 Energy: 0.5661087463044271 Energy: 0.567102884098864 Energy: 0.5661087463044271 Energy: 0.567102884098864 Energy: 0.5661087463044271 Energy: 0.5910198422428891 Energy: 0.5613308776271045 Energy: 0.5910198422428891 Energy: 0.5613308776271045 Energy: 0.5910198422428891 Energy: 0.56133087762606 Energy: 0.5964202135210313 Energy: 0.5703472848504831 Energy: 0.5964202135210313 Energy: 0.5703472848504831 Energy: 0.5964202135210313 Energy: 0.5703472848494386 minimum gb energy = 0.537169253972877 eV minimum distance = 2.55079692728889 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.5967121263787925 Energy: 0.5616173545500635 Energy: 0.5967121263792513 Energy: 0.5616173545496047 Energy: 0.5967121263787925 Energy: 0.5616173545505224 Energy: 0.5541548996059016 Energy: 0.5833156171083945 Energy: 0.5541548996054428 Energy: 0.5833156171079357 Energy: 0.5541548996059016 Energy: 0.5833156171079357 Energy: 0.6164389033495078 Energy: 0.5761518617987064 Energy: 0.6164389033495078 Energy: 0.5761518617991651 Energy: 0.6164389033499665 Energy: 0.5761518617991651 Energy: 0.5854327147877926 Energy: 0.5644209396851435 Energy: 0.5854327147887103 Energy: 0.5644209396851435 Energy: 0.5854327147873337 Energy: 0.5644209396851435 Energy: 0.6060944025635253 Energy: 0.5820155946205934 Energy: 0.6060944025635253 Energy: 0.5820155946205934 Energy: 0.6060944025635253 Energy: 0.5820155946205934 Energy: 0.5914955461552761 Energy: 0.6020675862154572 Energy: 0.5914955461552761 Energy: 0.6020675862154572 Energy: 0.5914955461552761 Energy: 0.6020675862149985 Energy: 0.5826375715289467 Energy: 0.5699943343716222 Energy: 0.5826375715289467 Energy: 0.5699943343716222 Energy: 0.5826375715294055 Energy: 0.5699943343716222 Energy: 0.5659997583098487 Energy: 0.5836596050657272 Energy: 0.5659997583103076 Energy: 0.5836596050661862 Energy: 0.5659997583103076 Energy: 0.583659605066645 Energy: 0.5724103258318944 Energy: 0.5964882826132317 Energy: 0.5724103258323532 Energy: 0.5964882826132317 Energy: 0.5724103258318944 Energy: 0.5964882826132317 Energy: 0.5793895487989376 Energy: 0.5824295786591664 Energy: 0.5793895487989376 Energy: 0.5824295786582488 Energy: 0.5793895487989376 Energy: 0.5824295786559546 Energy: 0.575802332659113 Energy: 0.585251742229349 Energy: 0.5758023326595718 Energy: 0.585251742229349 Energy: 0.5758023326600308 Energy: 0.5852517422302665 Energy: 0.5965456159774363 Energy: 0.6030712332084083 Energy: 0.5965456159774363 Energy: 0.6030712332079703 Energy: 0.5965456159774363 Energy: 0.6030712332084083 Energy: 0.5758363011390483 Energy: 0.5676761425600155 Energy: 0.5758363011395071 Energy: 0.5676761425600155 Energy: 0.5758363011385894 Energy: 0.5676761425600155 Energy: 0.6019711198565009 Energy: 0.5804975655642766 Energy: 0.6019711198569596 Energy: 0.5804975655633589 Energy: 0.6019711198569596 Energy: 0.5804975655633589 Energy: 0.5663664355060238 Energy: 0.5745491194918199 Energy: 0.5652778207893342 Energy: 0.574549119491361 Energy: 0.565277820789793 Energy: 0.5745491194909021 Energy: 0.5813750207990098 Energy: 0.6123627752952403 Energy: 0.5813750207990098 Energy: 0.6123627752952403 Energy: 0.5813750207990098 Energy: 0.6123627752952403 Energy: 0.5775485797422044 Energy: 0.5831106278122723 Energy: 0.5775485797568665 Energy: 0.5831106278122723 Energy: 0.5775485797472517 Energy: 0.5831106278127312 Energy: 0.5830829750038924 Energy: 0.5862016915284602 Energy: 0.5830829750043512 Energy: 0.5862016915284602 Energy: 0.5830829750038924 Energy: 0.5862016915284602 Energy: 0.5839009759251303 Energy: 0.5526962565147121 Energy: 0.5839009759251303 Energy: 0.5526962565142532 Energy: 0.5839009759251303 Energy: 0.5526962565137943 Energy: 0.6159759031084782 Energy: 0.5794337255291633 Energy: 0.6159759031080193 Energy: 0.5794337255291633 Energy: 0.6159759031084782 Energy: 0.5794337255291633 Energy: 0.5606778671754076 Energy: 0.565407482073835 Energy: 0.5606778671758663 Energy: 0.565407482073835 Energy: 0.5606778671754076 Energy: 0.565407482073835 Energy: 0.595798061800403 Energy: 0.5895334786816647 Energy: 0.595798061800403 Energy: 0.5895334786816647 Energy: 0.595798061800403 Energy: 0.589533478681206 Energy: 0.5752845905639286 Energy: 0.5723311440618664 Energy: 0.575284590563011 Energy: 0.5723311440614076 Energy: 0.5752845905634696 Energy: 0.5723311440614076 Energy: 0.5840007876699115 Energy: 0.5832157010765051 Energy: 0.5840007876694526 Energy: 0.5832157010765051 Energy: 0.5840007876694526 Energy: 0.5832157010765051 Energy: 0.5860612616708707 Energy: 0.6081392423891987 Energy: 0.5860612616708707 Energy: 0.6081392423891987 Energy: 0.5860612616708707 Energy: 0.6081392423891987 Energy: 0.5713937798875617 Energy: 0.5785834735285438 Energy: 0.5713937798880205 Energy: 0.5785834735285438 Energy: 0.5713937798880205 Energy: 0.5785834735285438 Energy: 0.5898808073591874 Energy: 0.5931991455699576 Energy: 0.5898808073596462 Energy: 0.5931991455694986 Energy: 0.5898808073591874 Energy: 0.5931991455708752 Energy: 0.5798466344961093 Energy: 0.5567851690458742 Energy: 0.5798466344961093 Energy: 0.5567851690454154 Energy: 0.5798466344961093 Energy: 0.5567851690454154 Energy: 0.5761929002523993 Energy: 0.587759346986828 Energy: 0.5761929002523993 Energy: 0.587759346986828 Energy: 0.5761929002523993 Energy: 0.587759346986828 Energy: 0.5655997062237538 Energy: 0.5531041558887604 Energy: 0.5655997062242126 Energy: 0.5531041558887604 Energy: 0.5655997062242126 Energy: 0.5531041558892192 Energy: 0.5794366080490307 Energy: 0.6040738800096218 Energy: 0.5794366080490307 Energy: 0.6040738800100807 Energy: 0.5794366080490307 Energy: 0.6040738800096218 minimum gb energy = 0.5526962565137943 eV minimum distance = 2.51210383245381 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5880919336667835 Energy: 0.5329206927363184 Energy: 0.5880919336667835 Energy: 0.5329206927363184 Energy: 0.5880919336667835 Energy: 0.5329206927355018 Energy: 0.546323398993423 Energy: 0.5331347582383451 Energy: 0.546323398993423 Energy: 0.5331347582383451 Energy: 0.546323398993423 Energy: 0.5331347582383451 Energy: 0.5129959836889131 Energy: 0.5924348700560412 Energy: 0.5129959836889131 Energy: 0.6254641544951652 Energy: 0.5129959836889131 Energy: 0.5434371690630432 Energy: 0.5463076566853052 Energy: 0.5331401259874151 Energy: 0.5463076566853052 Energy: 0.5331401259882317 Energy: 0.5463076566861217 Energy: 0.5331401259882317 Energy: 0.5880957926021618 Energy: 0.5637477694259987 Energy: 0.5880957926021618 Energy: 0.5170682268681703 Energy: 0.5880957926021618 Energy: 0.5170682268681703 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5880919336667835 Energy: 0.5329206927355018 Energy: 0.5880919336667835 Energy: 0.5329206927355018 Energy: 0.588091933665967 Energy: 0.5329206927355018 Energy: 0.5463233989942394 Energy: 0.5331347582383451 Energy: 0.5463233989942394 Energy: 0.5331347582383451 Energy: 0.546323398993423 Energy: 0.5331347582383451 Energy: 0.5129959836880966 Energy: 0.5766013312028186 Energy: 0.5129959836889131 Energy: 0.5105315432115535 Energy: 0.5129959836889131 Energy: 0.5105315432115535 Energy: 0.5463076566861217 Energy: 0.5331401259874151 Energy: 0.5463076566861217 Energy: 0.5331401259874151 Energy: 0.5463076566861217 Energy: 0.5331401259874151 Energy: 0.5880957926021618 Energy: 0.5170682268681703 Energy: 0.5880957926021618 Energy: 0.5170682268681703 Energy: 0.5880957926021618 Energy: 0.5170682268681703 Energy: 0.5185891018416219 Energy: 0.5075424501754707 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5185891018408054 Energy: 0.5075424501754707 Energy: 0.5880919336667835 Energy: 0.5329206927363184 Energy: 0.5880919336667835 Energy: 0.5329206927363184 Energy: 0.5880919336667835 Energy: 0.5329206927355018 Energy: 0.546323398993423 Energy: 0.5331347582383451 Energy: 0.5463233989942394 Energy: 0.5331347582383451 Energy: 0.546323398993423 Energy: 0.5331347582383451 Energy: 0.5129959836889131 Energy: 0.5105315432123699 Energy: 0.5129959836889131 Energy: 0.5105315432115535 Energy: 0.5129959836889131 Energy: 0.5105315432115535 Energy: 0.5463076566853052 Energy: 0.5331401259882317 Energy: 0.5463076566861217 Energy: 0.5331401259882317 Energy: 0.5463076566853052 Energy: 0.5331401259882317 minimum gb energy = 0.5075424501754707 eV minimum distance = 2.58745586111883 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5831993054985571 Energy: 0.5489364395806566 Energy: 0.5831993054985571 Energy: 0.5489364395813233 Energy: 0.5831993054992238 Energy: 0.5489364395813233 Energy: 0.5696523474863812 Energy: 0.571305347272333 Energy: 0.5696523474863812 Energy: 0.571305347272333 Energy: 0.5696523474857146 Energy: 0.571305347272333 Energy: 0.5734587314880214 Energy: 0.5640489955930912 Energy: 0.6005007720257747 Energy: 0.5640489955924245 Energy: 0.5870937764537532 Energy: 0.5640489955930912 Energy: 0.5631774884233918 Energy: 0.5972003930223367 Energy: 0.5631774884253917 Energy: 0.5972003930223367 Energy: 0.5631774884233918 Energy: 0.5972003930223367 Energy: 0.5616917253847666 Energy: 0.5704008661783312 Energy: 0.5616917253860999 Energy: 0.5704008661783312 Energy: 0.5616917253847666 Energy: 0.5704008661789979 Energy: 0.5652158547372951 Energy: 0.5717116019888987 Energy: 0.5652158547372951 Energy: 0.5717116019895654 Energy: 0.5652158547372951 Energy: 0.5717116019902322 Energy: 0.5626140838497476 Energy: 0.5851901509430687 Energy: 0.5626140838490811 Energy: 0.5851901509417354 Energy: 0.5626140838504144 Energy: 0.5851901509424021 Energy: 0.56102931601731 Energy: 0.5819003485187031 Energy: 0.56102931601731 Energy: 0.5819003485187031 Energy: 0.5610293160166434 Energy: 0.5819003485193697 Energy: 0.6294385637181689 Energy: 0.5814084278786862 Energy: 0.6294385637181689 Energy: 0.5814084278786862 Energy: 0.6294385637181689 Energy: 0.5814084278793528 Energy: 0.5632942461916299 Energy: 0.5725797302423482 Energy: 0.5632942461916299 Energy: 0.5725797302423482 Energy: 0.5632942461916299 Energy: 0.5725797302423482 Energy: 0.5520258426610019 Energy: 0.5718984990625736 Energy: 0.5520258426630018 Energy: 0.5718984990625736 Energy: 0.5520258426610019 Energy: 0.571898499061907 Energy: 0.59747272054113 Energy: 0.5778568868989358 Energy: 0.59747272054113 Energy: 0.5778568868982691 Energy: 0.59747272054113 Energy: 0.5778568868982691 Energy: 0.5703969348791396 Energy: 0.6051373749572323 Energy: 0.5703969348798062 Energy: 0.6051373749572323 Energy: 0.5703969348784729 Energy: 0.6051373749572323 Energy: 0.5635981433954939 Energy: 0.5687826437652355 Energy: 0.5635981433954939 Energy: 0.5687826437652355 Energy: 0.5635981433954939 Energy: 0.568782643765902 Energy: 0.5919949928123223 Energy: 0.5695387541771315 Energy: 0.5919949928123223 Energy: 0.5695387541771315 Energy: 0.5919949928123223 Energy: 0.5695387541764648 Energy: 0.5855880083833621 Energy: 0.5661452095458209 Energy: 0.5855880083826953 Energy: 0.5661452095444877 Energy: 0.5855880083833621 Energy: 0.5661452095444877 Energy: 0.5782283343968669 Energy: 0.5668205254606409 Energy: 0.578228334400867 Energy: 0.5668205254613076 Energy: 0.5782283343982002 Energy: 0.5668205254606409 Energy: 0.6138386371552962 Energy: 0.5756055363196914 Energy: 0.6138386371552962 Energy: 0.5756055363190248 Energy: 0.6138386371552962 Energy: 0.5756055363183581 Energy: 0.5580416418281934 Energy: 0.5717070419776263 Energy: 0.5580416418281934 Energy: 0.571707041978293 Energy: 0.5580416418281934 Energy: 0.571707041978293 Energy: 0.5631267686603157 Energy: 0.5498422998579706 Energy: 0.5631267686589824 Energy: 0.5498422998586373 Energy: 0.5631267686583157 Energy: 0.549842299859304 Energy: 0.5910697463216299 Energy: 0.5761361676735742 Energy: 0.5910697463216299 Energy: 0.5761361676742409 Energy: 0.5910697463216299 Energy: 0.5761361676735742 minimum gb energy = 0.5489364395806566 eV minimum distance = 2.58420411508081 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.6128128626166118 Energy: 0.6419951118636141 Energy: 0.6021674064755449 Energy: 0.6419951118630521 Energy: 0.6128128626166118 Energy: 0.6419951118641759 Energy: 0.6030791608312052 Energy: 0.5818013160183102 Energy: 0.6030791608306433 Energy: 0.5818013160183102 Energy: 0.6030791608306433 Energy: 0.5818013160188721 Energy: 0.5661684524562223 Energy: 0.5635989253855718 Energy: 0.5661684524556603 Energy: 0.5635989253855718 Energy: 0.5661684524562223 Energy: 0.5635989253861338 Energy: 0.5660706402254619 Energy: 0.6145819751291214 Energy: 0.5660706402249001 Energy: 0.6145819751291214 Energy: 0.5660706402249001 Energy: 0.6145819751291214 Energy: 0.5601499697866538 Energy: 0.5876217038239804 Energy: 0.5601499697860917 Energy: 0.5876217038239804 Energy: 0.5601499697866538 Energy: 0.5876217038239804 Energy: 0.5915420001697933 Energy: 0.6020779851078313 Energy: 0.5915420001636118 Energy: 0.6020779851078313 Energy: 0.5915420001748509 Energy: 0.6020779851078313 Energy: 0.5696131395956542 Energy: 0.5922081791799965 Energy: 0.5696131395962162 Energy: 0.5922081791799965 Energy: 0.5696131395956542 Energy: 0.5922081791794346 Energy: 0.611367017156889 Energy: 0.5642881202333401 Energy: 0.6113670172939307 Energy: 0.5642881202327781 Energy: 0.611367017192829 Energy: 0.564288120234464 Energy: 0.6127739357334033 Energy: 0.5681790765756122 Energy: 0.6128132198586675 Energy: 0.5681790765756122 Energy: 0.6127739357334033 Energy: 0.5681790765750503 Energy: 0.5983199188897024 Energy: 0.5820068650010835 Energy: 0.5981633437911068 Energy: 0.5820068649999595 Energy: 0.5983199188897024 Energy: 0.5820068650016454 Energy: 0.6078165494494786 Energy: 0.5921218865051349 Energy: 0.6075992492843568 Energy: 0.5921218865056713 Energy: 0.6078165494489166 Energy: 0.5921218865045729 Energy: 0.5906418607851477 Energy: 0.5822640292991962 Energy: 0.5906418607851477 Energy: 0.5822640292991962 Energy: 0.5906418607851477 Energy: 0.5822640292991962 Energy: 0.5918910099520702 Energy: 0.6104267335825387 Energy: 0.5918910099509463 Energy: 0.6104267335825387 Energy: 0.5918910099520702 Energy: 0.6104267335825387 Energy: 0.5658892883780983 Energy: 0.5751186728349571 Energy: 0.5658892883780983 Energy: 0.5751186728343951 Energy: 0.5658892883786603 Energy: 0.575118672836081 Energy: 0.600564972701412 Energy: 0.6058256346010912 Energy: 0.5978205991497334 Energy: 0.6058256346005291 Energy: 0.6005649727514264 Energy: 0.6058256345994052 Energy: 0.5832755328407381 Energy: 0.5876631852984867 Energy: 0.5832755328413001 Energy: 0.5876631852984867 Energy: 0.5832755328407381 Energy: 0.5876631852979248 Energy: 0.5840656761621773 Energy: 0.5638558218208614 Energy: 0.5840656761621773 Energy: 0.5638558218208614 Energy: 0.5840656761621773 Energy: 0.5638558218219853 Energy: 0.6159684792879957 Energy: 0.5641180806295898 Energy: 0.6159684792885578 Energy: 0.5641180806295898 Energy: 0.6159684792879957 Energy: 0.5641180806301519 Energy: 0.5759274238787615 Energy: 0.5608926930618447 Energy: 0.5538605439917282 Energy: 0.5608926930618447 Energy: 0.5759274238793234 Energy: 0.5608926930624067 Energy: 0.6128128626171737 Energy: 0.6419951118956203 Energy: 0.6021674064755449 Energy: 0.6419951118944963 Energy: 0.6128128626171737 Energy: 0.6419951118939343 Energy: 0.6030791608312052 Energy: 0.5818013160188721 Energy: 0.6030791608306433 Energy: 0.5818013160188721 Energy: 0.6030791608312052 Energy: 0.5818013160194341 Energy: 0.5661684524550984 Energy: 0.5635989253855718 Energy: 0.5661684524556603 Energy: 0.5635989253855718 Energy: 0.5661684524550984 Energy: 0.5635989253861338 Energy: 0.5660706402249001 Energy: 0.6145819751285594 Energy: 0.5660706402254619 Energy: 0.6145819751296833 Energy: 0.5660706402260238 Energy: 0.6145819751296833 Energy: 0.5601499697860917 Energy: 0.5876217038251043 Energy: 0.5601499697872157 Energy: 0.5876217038245423 Energy: 0.5601499697866538 Energy: 0.5876217038245423 Energy: 0.5915419999108574 Energy: 0.6020779851078313 Energy: 0.5915419998653644 Energy: 0.6020779851078313 Energy: 0.5915419999366821 Energy: 0.6020779851067073 minimum gb energy = 0.5538605439917282 eV minimum distance = 2.54239502799962 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.5655878797268872 Energy: 0.584114037509819 Energy: 0.5655878797264021 Energy: 0.584114037509819 Energy: 0.5655878797264021 Energy: 0.584114037509819 Energy: 0.5818581179144475 Energy: 0.5652729302874203 Energy: 0.5818581179144475 Energy: 0.5652729302869351 Energy: 0.5818581179149327 Energy: 0.5652729302869351 Energy: 0.5719882728907739 Energy: 0.5413591434738814 Energy: 0.5995303124416483 Energy: 0.5413591434835608 Energy: 0.5762365485500909 Energy: 0.5413591434777619 Energy: 0.5417835508371974 Energy: 0.5849092913947508 Energy: 0.5417835508381676 Energy: 0.5849092913947508 Energy: 0.5417835508371974 Energy: 0.5849092913947508 Energy: 0.5762965816362579 Energy: 0.5866115671376496 Energy: 0.5762965816362579 Energy: 0.5866115671381347 Energy: 0.5762965816362579 Energy: 0.5866115671381347 Energy: 0.5921651032596353 Energy: 0.5482099803086864 Energy: 0.5921651032591503 Energy: 0.5482099803086864 Energy: 0.5921651032596353 Energy: 0.5482099803086864 Energy: 0.5316634680940319 Energy: 0.5786901001419408 Energy: 0.5316634680945169 Energy: 0.5786901001429109 Energy: 0.5316634680945169 Energy: 0.5786901001419408 Energy: 0.5530483992883075 Energy: 0.5789702908261163 Energy: 0.5530483992815165 Energy: 0.5789702908266013 Energy: 0.5530483992752104 Energy: 0.5789702908266013 Energy: 0.6043760133281475 Energy: 0.5346282720141726 Energy: 0.6043760133276624 Energy: 0.5346282720141726 Energy: 0.6043760133276624 Energy: 0.5346282720141726 Energy: 0.57362799373607 Energy: 0.5767755434121777 Energy: 0.57362799373607 Energy: 0.5767755434121777 Energy: 0.57362799373607 Energy: 0.5767755434121777 Energy: 0.5407256194151806 Energy: 0.5811321068998142 Energy: 0.5407256194166358 Energy: 0.5811321068988441 Energy: 0.5407256194161507 Energy: 0.5811321068993293 Energy: 0.5907265966261243 Energy: 0.5428366076276343 Energy: 0.5907265966266094 Energy: 0.5428366076266641 Energy: 0.5907265966266094 Energy: 0.5428366076276343 Energy: 0.5783010010473222 Energy: 0.5638896268492257 Energy: 0.5783010010473222 Energy: 0.5638896268506809 Energy: 0.5783010010473222 Energy: 0.5638896268506809 Energy: 0.5468714293963499 Energy: 0.5855929827134203 Energy: 0.5468714293958647 Energy: 0.5855929827134203 Energy: 0.5468714293958647 Energy: 0.5855929827139054 Energy: 0.5843392600689713 Energy: 0.5451212375460256 Energy: 0.5843392600680011 Energy: 0.5451212618124519 Energy: 0.5843392600684862 Energy: 0.5451213094764408 Energy: 0.5735029367221228 Energy: 0.5346490501456442 Energy: 0.5735029367221228 Energy: 0.5346490501800849 Energy: 0.5735029367221228 Energy: 0.5346490500947331 Energy: 0.5464912148929914 Energy: 0.5852149202973402 Energy: 0.5464912148925063 Energy: 0.5852149202978253 Energy: 0.5464912148925063 Energy: 0.5852149202978253 Energy: 0.5787485200089675 Energy: 0.5770272161510087 Energy: 0.5787485200084824 Energy: 0.5770272125072756 Energy: 0.5787485200094525 Energy: 0.5770272129955292 Energy: 0.5877026974575603 Energy: 0.5474501130109982 Energy: 0.5877026974575603 Energy: 0.547450113010028 Energy: 0.5877026974580454 Energy: 0.5474501130105132 Energy: 0.5545486866340851 Energy: 0.5837116466208068 Energy: 0.5545486866340851 Energy: 0.5837116466208068 Energy: 0.5545486866345701 Energy: 0.5837116466208068 Energy: 0.5456941309974641 Energy: 0.596638367381871 Energy: 0.5456941309979493 Energy: 0.596638367381386 Energy: 0.545694130996979 Energy: 0.596638367381386 Energy: 0.6048785056988203 Energy: 0.5413643264827561 Energy: 0.6048785056983352 Energy: 0.5413643264822711 Energy: 0.6048785056983352 Energy: 0.5413643264827561 Energy: 0.5912638045556944 Energy: 0.573042801806585 Energy: 0.5912638045552094 Energy: 0.57304280180707 Energy: 0.5912638045547243 Energy: 0.57304280180707 Energy: 0.5619585211231989 Energy: 0.5805486105623897 Energy: 0.5619585211231989 Energy: 0.5805486105623897 Energy: 0.5619585211236838 Energy: 0.5805486105623897 Energy: 0.5769095927394708 Energy: 0.5414315497618345 Energy: 0.5769095927394708 Energy: 0.5414315499412474 Energy: 0.5769095927394708 Energy: 0.5414315497332369 Energy: 0.5795584501261827 Energy: 0.5493802372494493 Energy: 0.5795584501261827 Energy: 0.5493802372586658 Energy: 0.5795584501261827 Energy: 0.5493802372756215 Energy: 0.534571174589028 Energy: 0.5844486113045031 Energy: 0.5345711745899762 Energy: 0.5844486113045031 Energy: 0.534571174589028 Energy: 0.5844486113045031 Energy: 0.5808567272850469 Energy: 0.5578308570432562 Energy: 0.5808567272840768 Energy: 0.5578308570432562 Energy: 0.5808567272850469 Energy: 0.5578308570442263 Energy: 0.5778392062286021 Energy: 0.5476464893666794 Energy: 0.5778392062286021 Energy: 0.5476464893666794 Energy: 0.5778392062286021 Energy: 0.5476464893671644 minimum gb energy = 0.5316634680940319 eV minimum distance = 2.58118627068544 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.5276872338455048 Energy: 0.5844309955903448 Energy: 0.5276872338455048 Energy: 0.5844309955899184 Energy: 0.5276872338455048 Energy: 0.5844309955899184 Energy: 0.5600815717750984 Energy: 0.5321516742398192 Energy: 0.5600815709209455 Energy: 0.5321516742393928 Energy: 0.5600815710956952 Energy: 0.5321516742389664 Energy: 0.5829440225465827 Energy: 0.5148887603908642 Energy: 0.5829440225465827 Energy: 0.514888760391717 Energy: 0.5829440225465827 Energy: 0.5148887603947019 Energy: 0.5000507999621326 Energy: 0.5632232270956304 Energy: 0.5000507999617062 Energy: 0.5917434876703492 Energy: 0.5000507999612798 Energy: 0.5834278720186553 Energy: 0.5385224376071922 Energy: 0.5483037061453436 Energy: 0.5385224376076188 Energy: 0.5483037061453436 Energy: 0.5385224376071922 Energy: 0.54830370614577 Energy: 0.5854445253451961 Energy: 0.5097952509276681 Energy: 0.5854445253451961 Energy: 0.5097952509276681 Energy: 0.5854445253451961 Energy: 0.5097952509276681 Energy: 0.533738563727063 Energy: 0.5539391203411521 Energy: 0.5337385637304742 Energy: 0.5539391203415787 Energy: 0.5337385637249309 Energy: 0.5539391203411521 Energy: 0.5001926813062249 Energy: 0.5635357000777581 Energy: 0.5001926813062249 Energy: 0.5581624841489989 Energy: 0.5001926813057983 Energy: 0.5677383105112885 Energy: 0.5840329236198357 Energy: 0.5104017251877208 Energy: 0.5840329236194093 Energy: 0.5104017251885736 Energy: 0.5840329236194093 Energy: 0.5104017251872943 Energy: 0.5336662146850796 Energy: 0.5582632290194482 Energy: 0.5336662146859323 Energy: 0.5826053178198304 Energy: 0.5336662146846531 Energy: 0.5629750520950184 Energy: 0.4989178354026232 Energy: 0.6210678657763591 Energy: 0.49891783540347606 Energy: 0.6210678657763591 Energy: 0.4989178354026232 Energy: 0.6210678657763591 Energy: 0.5689940057688807 Energy: 0.5241303852015929 Energy: 0.5689940057688807 Energy: 0.5241303852015929 Energy: 0.568994005769307 Energy: 0.5241303852015929 Energy: 0.5715295709595991 Energy: 0.5150383930960216 Energy: 0.5715295709595991 Energy: 0.5150383936526582 Energy: 0.5715295709595991 Energy: 0.5150383931552536 Energy: 0.5303776915101459 Energy: 0.5724402935711462 Energy: 0.5303776915101459 Energy: 0.5724402935715727 Energy: 0.5303776915097194 Energy: 0.5724402935711462 Energy: 0.5612328299366278 Energy: 0.5481398834961546 Energy: 0.5612328299353485 Energy: 0.5481398834961546 Energy: 0.5612328299370541 Energy: 0.5481398834961546 Energy: 0.5841017445338966 Energy: 0.5163476574544358 Energy: 0.5841017445343231 Energy: 0.5163476574544358 Energy: 0.5841017445338966 Energy: 0.5163476574548622 Energy: 0.4994480722776315 Energy: 0.5615549323093288 Energy: 0.4994480722784843 Energy: 0.5615549323093288 Energy: 0.4994480722780579 Energy: 0.5615549323093288 Energy: 0.4969977237578309 Energy: 0.5797778111029447 Energy: 0.49699772375697804 Energy: 0.5797778111029447 Energy: 0.4969977237565517 Energy: 0.5797778111025182 Energy: 0.5841395439058715 Energy: 0.5104672783021378 Energy: 0.5841395439058715 Energy: 0.510467278301285 Energy: 0.5841395439058715 Energy: 0.5104672783021378 Energy: 0.5336203408873892 Energy: 0.5579029816695663 Energy: 0.5336203408878157 Energy: 0.5579029816695663 Energy: 0.5336203408869629 Energy: 0.5579029816695663 Energy: 0.50589619149427 Energy: 0.6101097917717879 Energy: 0.5058961914938436 Energy: 0.6101097917722144 Energy: 0.5058961914938436 Energy: 0.6101097917717879 Energy: 0.5750768577515717 Energy: 0.5098479501242158 Energy: 0.5750768577519981 Energy: 0.5098479501237894 Energy: 0.5750768577511454 Energy: 0.509847950123363 Energy: 0.5745914093809349 Energy: 0.5072815167431416 Energy: 0.5745914093813612 Energy: 0.5072815164102528 Energy: 0.5745914093809349 Energy: 0.507281516573916 Energy: 0.5000283944833662 Energy: 0.5872396418715574 Energy: 0.5000283944837925 Energy: 0.5872396418715574 Energy: 0.5000283944833662 Energy: 0.5872396418715574 Energy: 0.5689335015473812 Energy: 0.546071412149973 Energy: 0.5689335015473812 Energy: 0.5460714121503994 Energy: 0.568933501548234 Energy: 0.546071412149973 Energy: 0.574876398124129 Energy: 0.5164291235381964 Energy: 0.574876398124129 Energy: 0.5164291235386227 Energy: 0.5748763981245555 Energy: 0.5164291235373435 Energy: 0.5278468030051655 Energy: 0.5641664322294625 Energy: 0.5278468030043126 Energy: 0.5641664322294625 Energy: 0.5278468030034599 Energy: 0.5641664322294625 Energy: 0.5285301272630182 Energy: 0.5680278622932781 Energy: 0.5285259680951854 Energy: 0.5680278622932781 Energy: 0.5285265881130937 Energy: 0.5680278622932781 Energy: 0.5872362529585318 Energy: 0.5147732760867705 Energy: 0.5872362529585318 Energy: 0.5147732760871968 Energy: 0.5872362529585318 Energy: 0.5147732760871968 Energy: 0.4977393726483403 Energy: 0.568098759170094 Energy: 0.49773937193953427 Energy: 0.5680987591709467 Energy: 0.4977393725042726 Energy: 0.5680987591705203 Energy: 0.4993565580134309 Energy: 0.5699553601974414 Energy: 0.4993565580125781 Energy: 0.5699553601970151 Energy: 0.4993565580125781 Energy: 0.5699553601970151 Energy: 0.5749392531314648 Energy: 0.5098260491389417 Energy: 0.5749392531314648 Energy: 0.5098260491376624 Energy: 0.5749392531310383 Energy: 0.5098260491385151 Energy: 0.5714524034716171 Energy: 0.5073918671211409 Energy: 0.5714524034716171 Energy: 0.5073918671207146 Energy: 0.5714524034720435 Energy: 0.5073918671219937 minimum gb energy = 0.4969977237565517 eV minimum distance = 2.60094378566951 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011733831076649853 Energy: 0.3926119299384342 Energy: 0.011733831076649853 Energy: 0.3926119299384342 Energy: 0.011733831076649853 Energy: 0.3926119299384342 Energy: 0.013135645252101738 Energy: 0.17518083690780664 Energy: 0.013135645251767136 Energy: 0.17518083690849554 Energy: 0.013135645252101738 Energy: 0.17518083690816091 Energy: 0.39294399036663025 Energy: 0.17566196630930878 Energy: 0.3929439763458043 Energy: 0.17566146263554835 Energy: 0.3929439782786444 Energy: 0.17566168220828868 Energy: 0.013135645252101738 Energy: 0.17518083690884978 Energy: 0.013135645252101738 Energy: 0.17518083690849554 Energy: 0.013135645252101738 Energy: 0.17518083690849554 minimum gb energy = 0.011733831076649853 eV minimum distance = 2.83530845004235 Angstroms sigma value = 1