Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001 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=4.049985826015473 cohesive_energy=3.3534000933305403 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: 0.010337556084519996 Energy: 0.41538408143931843 Energy: 0.010337556084742093 Energy: 0.4153840814395405 Energy: 0.010337556084742093 Energy: 0.4153840814395405 Energy: 0.41538408143931843 Energy: 0.2709902772131022 Energy: 0.4153840814395405 Energy: 0.2709902772133521 Energy: 0.41538408143931843 Energy: 0.2709902772136019 Energy: 0.010337556084742093 Energy: 0.41538408143931843 Energy: 0.010337556084742093 Energy: 0.41538408143931843 Energy: 0.010337556084742093 Energy: 0.41538408143931843 Energy: 0.4153840814395405 Energy: 0.2709902772136019 Energy: 0.4153840814395405 Energy: 0.2709902772136019 Energy: 0.41538408143931843 Energy: 0.2709902772133521 Energy: 0.010337556084742093 Energy: 0.4153840814397904 Energy: 0.010337556084742093 Energy: 0.4153840814395405 Energy: 0.010337556084742093 Energy: 0.4153840814395405 Energy: 0.41538408144004024 Energy: 0.2709902772133521 Energy: 0.4153840814395405 Energy: 0.2709902772133521 Energy: 0.4153840814397904 Energy: 0.2709902772133521 minimum gb energy = 0.010337556084519996 eV minimum distance = 2.82150293719356 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.6984695840089848 Energy: 0.6716034709984653 Energy: 0.6984695841117771 Energy: 0.6716034710080884 Energy: 0.6984695839933472 Energy: 0.6716034709984653 Energy: 0.7118572502990063 Energy: 0.5457201232042216 Energy: 0.7118572502978032 Energy: 0.5457201232054244 Energy: 0.7118572502984047 Energy: 0.5457201232060258 Energy: 0.6629350606337909 Energy: 0.6851481222966155 Energy: 0.6629350606307837 Energy: 0.6851480989565151 Energy: 0.6629350606355953 Energy: 0.6851488384090001 Energy: 0.7075889979839256 Energy: 0.5898349469515881 Energy: 0.707588997984527 Energy: 0.5898346324139835 Energy: 0.7075889979839256 Energy: 0.5898347654171723 Energy: 0.6347550914812444 Energy: 0.6743307574218793 Energy: 0.6347550914836502 Energy: 0.6743307570659612 Energy: 0.6347550914770616 Energy: 0.6743307574687647 Energy: 0.650718092158168 Energy: 0.5911965055229292 Energy: 0.6507180921545593 Energy: 0.5911965055854522 Energy: 0.6507180921563637 Energy: 0.5911965048057073 Energy: 0.6473430329930688 Energy: 0.6812487638097084 Energy: 0.6473430329930688 Energy: 0.6812487638097084 Energy: 0.6473430329930688 Energy: 0.681248763809107 Energy: 0.6002761962904688 Energy: 0.6905495455813689 Energy: 0.6002761962904688 Energy: 0.6905495455765848 Energy: 0.6002761962910702 Energy: 0.6905495455783617 Energy: 0.6523494184402985 Energy: 0.6612154493346089 Energy: 0.6523494184402985 Energy: 0.6612154493328045 Energy: 0.6523494184402985 Energy: 0.661215449332203 Energy: 0.5600963465944638 Energy: 0.7025606705445377 Energy: 0.5600963465950651 Energy: 0.7025606705439362 Energy: 0.5600963465944638 Energy: 0.7025606705439362 Energy: 0.6615153893344257 Energy: 0.563143089522002 Energy: 0.6615153892833029 Energy: 0.5631430895195961 Energy: 0.6615153893284113 Energy: 0.5631430895214004 Energy: 0.5084834267540159 Energy: 0.7444401898545076 Energy: 0.5084834268009012 Energy: 0.7444401898545076 Energy: 0.5084834267383783 Energy: 0.7444401898551092 Energy: 0.7081335144554999 Energy: 0.524736079573961 Energy: 0.7081335127998613 Energy: 0.5247360870874727 Energy: 0.7081335136745794 Energy: 0.5247360843358664 Energy: 0.6160823464699171 Energy: 0.6736832137749152 Energy: 0.61608223528523 Energy: 0.673683213782734 Energy: 0.6160824580243007 Energy: 0.6736832137797267 Energy: 0.6887822459492163 Energy: 0.6019836030267117 Energy: 0.6887822459492163 Energy: 0.6019836030279146 Energy: 0.6887822459492163 Energy: 0.6019836030273132 Energy: 0.6991897361820472 Energy: 0.6686223539268902 Energy: 0.6991897361742283 Energy: 0.6686223539274916 Energy: 0.6991897361766342 Energy: 0.6686223539268902 Energy: 0.6497298048354061 Energy: 0.629653869929754 Energy: 0.6497298042648817 Energy: 0.629653869929754 Energy: 0.6497298043845143 Energy: 0.629653869929754 Energy: 0.660457179176434 Energy: 0.6213505773869368 Energy: 0.6604571802807946 Energy: 0.6213505773875382 Energy: 0.66045717880671 Energy: 0.6213505773875382 Energy: 0.6381562283062783 Energy: 0.6667864000649094 Energy: 0.6381562283062783 Energy: 0.666786400058895 Energy: 0.6381562283062783 Energy: 0.666786400064308 Energy: 0.6685409781802677 Energy: 0.677724302758394 Energy: 0.668540978182072 Energy: 0.6777243022341537 Energy: 0.6685409781754562 Energy: 0.6777243028034751 Energy: 0.5687501181109992 Energy: 0.7256317622663709 Energy: 0.5687501181109992 Energy: 0.7256317622585522 Energy: 0.568750118109195 Energy: 0.7256317622585522 Energy: 0.6524218192356228 Energy: 0.6944316082001314 Energy: 0.6524218192350214 Energy: 0.6944316081995299 Energy: 0.6524218192368257 Energy: 0.6944316081995299 Energy: 0.5461244475021314 Energy: 0.7001626557447372 Energy: 0.5461244475021314 Energy: 0.7001626557423315 Energy: 0.54612444750153 Energy: 0.7001626557417301 minimum gb energy = 0.5084834267383783 eV minimum distance = 2.56650842867517 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.6729283752844176 Energy: 0.637079923749502 Energy: 0.6565275424371251 Energy: 0.6370799237491598 Energy: 0.6729283752844176 Energy: 0.6370799237481335 Energy: 0.7560266729347828 Energy: 0.6938935757988397 Energy: 0.7560266729340985 Energy: 0.6938935757984976 Energy: 0.7560266729344407 Energy: 0.6938935757991819 Energy: 0.5911886474809689 Energy: 0.637861899234563 Energy: 0.5911886478150443 Energy: 0.6375149099245496 Energy: 0.591188648517063 Energy: 0.6340744760416257 Energy: 0.6639651513642255 Energy: 0.6756217679382227 Energy: 0.6639651513590941 Energy: 0.6756217679382227 Energy: 0.6639651513652519 Energy: 0.6756217679378805 Energy: 0.5867112114620289 Energy: 0.6527906931415071 Energy: 0.5867112112965462 Energy: 0.6527567011594467 Energy: 0.5867112120002753 Energy: 0.6527905355212217 Energy: 0.6135632347891772 Energy: 0.5888501835975499 Energy: 0.613563247925787 Energy: 0.588850183597892 Energy: 0.6135632295908863 Energy: 0.5888501835975499 Energy: 0.726894923922854 Energy: 0.6817504671579909 Energy: 0.726894923922512 Energy: 0.681750502687327 Energy: 0.726894923922854 Energy: 0.6817504765909415 Energy: 0.5717997446575704 Energy: 0.6702534168465233 Energy: 0.5717997446551758 Energy: 0.6702534168540495 Energy: 0.5717997446585967 Energy: 0.670253416848918 Energy: 0.7089131620473121 Energy: 0.6124656505131272 Energy: 0.7089131620483383 Energy: 0.6124656506365939 Energy: 0.708913162043549 Energy: 0.6124656507600295 Energy: 0.5182059339131289 Energy: 0.6909502094178961 Energy: 0.5180980501773719 Energy: 0.6909502031643535 Energy: 0.5182059339131289 Energy: 0.6909501620698096 Energy: 0.7059979156410005 Energy: 0.5174530100788766 Energy: 0.7059979156399742 Energy: 0.5174530100788766 Energy: 0.7059979156365531 Energy: 0.5174530100792186 Energy: 0.5202853608358774 Energy: 0.7262467037175996 Energy: 0.5161758215877066 Energy: 0.7262467037165733 Energy: 0.5202853608365615 Energy: 0.7262467037141785 Energy: 0.661073707793204 Energy: 0.5757142604557453 Energy: 0.6610737077945723 Energy: 0.5757142604512979 Energy: 0.661073707793546 Energy: 0.5757142604512979 Energy: 0.65416870191011 Energy: 0.6447269355310036 Energy: 0.6541687019090837 Energy: 0.6447269355316877 Energy: 0.65416870191011 Energy: 0.6447269355296351 Energy: 0.6693482481931705 Energy: 0.6523657431729548 Energy: 0.6693482398811235 Energy: 0.6523657431661128 Energy: 0.6693482344762981 Energy: 0.6523657431715865 Energy: 0.6578985591289243 Energy: 0.5707133823035871 Energy: 0.6578985591292663 Energy: 0.5707133823398496 Energy: 0.6578985591292663 Energy: 0.5707133823374549 Energy: 0.7054392759943957 Energy: 0.6438563378632248 Energy: 0.7054392759943957 Energy: 0.6438563378632248 Energy: 0.7054392759940536 Energy: 0.6438563378642512 Energy: 0.6502572604574158 Energy: 0.5758206604784355 Energy: 0.6502572604143424 Energy: 0.5758206604455941 Energy: 0.6502572604311052 Energy: 0.5758206604897249 Energy: 0.6761073495327046 Energy: 0.7025718557484507 Energy: 0.6761073496123826 Energy: 0.7025718557826296 Energy: 0.6761073493490906 Energy: 0.7025718557668932 Energy: 0.6394196640987061 Energy: 0.6580041987532569 Energy: 0.639419664098364 Energy: 0.6580041987535991 Energy: 0.6394196640987061 Energy: 0.6580041987532569 Energy: 0.5580755935676232 Energy: 0.7235460974280197 Energy: 0.5580755935669389 Energy: 0.7235460974280197 Energy: 0.5580755935672811 Energy: 0.7235460974280197 Energy: 0.6907482593399944 Energy: 0.6032212203489069 Energy: 0.6871403120611939 Energy: 0.6032212203485647 Energy: 0.6635833529893536 Energy: 0.6032212203499332 Energy: 0.5234142271283717 Energy: 0.712613632622031 Energy: 0.5234263633161909 Energy: 0.7126137249030147 Energy: 0.5234142271283717 Energy: 0.7126136217590435 Energy: 0.7510680054869923 Energy: 0.7623735201234901 Energy: 0.7510680054863078 Energy: 0.7623735201234901 Energy: 0.7510680054873343 Energy: 0.7623735201231481 Energy: 0.5690768586334228 Energy: 0.7246491234169896 Energy: 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0.5351244825071177 Energy: 0.8035046790818279 Energy: 0.5351244832717095 Energy: 0.5745951440690649 Energy: 0.659526813687122 Energy: 0.5745951442085792 Energy: 0.6595268137825054 Energy: 0.5745951439692029 Energy: 0.6595268134679296 Energy: 0.6416255529092839 Energy: 0.6578859354507176 Energy: 0.641625552909968 Energy: 0.6578859354503754 Energy: 0.641625552909968 Energy: 0.6578859354517438 Energy: 0.6569863986498684 Energy: 0.7136026486808829 Energy: 0.6569863986485 Energy: 0.713602648681567 Energy: 0.6569863986495262 Energy: 0.7136026486801985 Energy: 0.6367095060951719 Energy: 0.5717621316059093 Energy: 0.6367095052950018 Energy: 0.5717621316059093 Energy: 0.6367094997930824 Energy: 0.5717621316069357 Energy: 0.6891294549743878 Energy: 0.6683682138961136 Energy: 0.6891294539256361 Energy: 0.6683682818772922 Energy: 0.6891294599610126 Energy: 0.6683682231225606 Energy: 0.5859969644401529 Energy: 0.6077724989624772 Energy: 0.57513419041798 Energy: 0.6077724991467753 Energy: 0.5859969644534948 Energy: 0.6077724990021297 Energy: 0.6616763520087461 Energy: 0.6123641817554996 Energy: 0.6616763520118251 Energy: 0.6123641817448944 Energy: 0.6616763521072397 Energy: 0.6123641817534469 Energy: 0.6655496241034599 Energy: 0.644677454329151 Energy: 0.6655496241031178 Energy: 0.6446774543305195 Energy: 0.6655496241017494 Energy: 0.6446774543305195 Energy: 0.6686945157570272 Energy: 0.5610796917687324 Energy: 0.6686945157573694 Energy: 0.561079691770785 Energy: 0.6686945157570272 Energy: 0.5610796917492327 Energy: 0.5664911797467072 Energy: 0.6866731503241901 Energy: 0.5664911869686392 Energy: 0.6866731504900458 Energy: 0.5664911810057567 Energy: 0.6866731504808092 minimum gb energy = 0.5161758215877066 eV minimum distance = 2.59819573698801 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.6626128715442123 Energy: 0.6521969142677378 Energy: 0.6626128715473829 Energy: 0.6521969142677378 Energy: 0.6626128715442123 Energy: 0.6521969142677378 Energy: 0.711423527169781 Energy: 0.6335803177004609 Energy: 0.7114235271705737 Energy: 0.6335803176949124 Energy: 0.711423527169781 Energy: 0.6335803177139357 Energy: 0.6034566372717131 Energy: 0.7875955505751432 Energy: 0.6034566372709204 Energy: 0.7875955505751432 Energy: 0.6034566372717131 Energy: 0.7875955505751432 Energy: 0.5984917704710396 Energy: 0.575752592439103 Energy: 0.5984917704710396 Energy: 0.5757525924097934 Energy: 0.598491770470247 Energy: 0.5757525924311946 Energy: 0.6215186815120088 Energy: 0.6759194592977248 Energy: 0.6215186815128015 Energy: 0.6759194592977248 Energy: 0.6215186815072531 Energy: 0.6759194592977248 Energy: 0.6612329726451632 Energy: 0.6016606631747833 Energy: 0.6612329712982716 Energy: 0.6016606681392606 Energy: 0.661232972619817 Energy: 0.6016606679221677 Energy: 0.6919898432723071 Energy: 0.6472075347654813 Energy: 0.6919898432723071 Energy: 0.6472075316121657 Energy: 0.6919898432723071 Energy: 0.6472075344691605 Energy: 0.5792150188177492 Energy: 0.6732696304636333 Energy: 0.5792150188177492 Energy: 0.6732696350271975 Energy: 0.5792150188177492 Energy: 0.6732696329300192 Energy: 0.6904285247399992 Energy: 0.5562751563689916 Energy: 0.6904285247399992 Energy: 0.5562751563674063 Energy: 0.6904285247399992 Energy: 0.5562751563705769 Energy: 0.6266493072919923 Energy: 0.6889234745610052 Energy: 0.62664930727931 Energy: 0.6889234745602127 Energy: 0.6266493072896143 Energy: 0.6889234745625906 Energy: 0.7722508329110326 Energy: 0.5540722301449683 Energy: 0.7722508329102401 Energy: 0.55407223015448 Energy: 0.7722508329118253 Energy: 0.5540722301465537 Energy: 0.7149929880956133 Energy: 0.6000181331426635 Energy: 0.7149929880948207 Energy: 0.6000181331426635 Energy: 0.7149929880956133 Energy: 0.600018133141871 Energy: 0.698506571674776 Energy: 0.5951184389639148 Energy: 0.6985065716755686 Energy: 0.5951184389734084 Energy: 0.6985065716755686 Energy: 0.595118438959159 Energy: 0.6037806323516272 Energy: 0.624632330907435 Energy: 0.6037806323516272 Energy: 0.62463233058339 Energy: 0.6037806323524199 Energy: 0.6246323311197722 Energy: 0.6000151332599795 Energy: 0.6733945705726043 Energy: 0.6000151332599795 Energy: 0.6733945705749822 Energy: 0.6000151332591869 Energy: 0.6733945705726043 Energy: 0.6887385517932233 Energy: 0.6043105570715012 Energy: 0.6887385517932233 Energy: 0.6043105570722939 Energy: 0.6887385517940159 Energy: 0.6043105570754644 Energy: 0.6589287470432458 Energy: 0.6734449835926283 Energy: 0.6589287470495869 Energy: 0.6734449836037072 Energy: 0.6589287470432458 Energy: 0.6734449835989693 Energy: 0.6024003281508888 Energy: 0.635395720850422 Energy: 0.6024003281508888 Energy: 0.6353957208028997 Energy: 0.6024003281508888 Energy: 0.6353957207688162 minimum gb energy = 0.5540722301449683 eV minimum distance = 2.53241704199995 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.6315224225881224 Energy: 0.5035419721857941 Energy: 0.631522422558523 Energy: 0.5035419721857941 Energy: 0.6315224225890629 Energy: 0.5035419721857941 Energy: 0.6050759429371563 Energy: 0.6696180639766571 Energy: 0.6050759429404476 Energy: 0.6696180639766571 Energy: 0.6050759429395072 Energy: 0.6696180639766571 Energy: 0.5027483968355572 Energy: 0.6050686943056869 Energy: 0.502748396835087 Energy: 0.605068692738844 Energy: 0.5027483968346168 Energy: 0.6050686954462989 Energy: 0.5111044865479072 Energy: 0.5031641034060242 Energy: 0.5111044867344795 Energy: 0.5031641033985015 Energy: 0.5111044867344795 Energy: 0.5031641033985015 Energy: 0.5933141985622886 Energy: 0.6553159725105068 Energy: 0.5933141984969562 Energy: 0.6553159725105068 Energy: 0.5933141984908653 Energy: 0.6553159725105068 Energy: 0.5985860923574376 Energy: 0.5840587095977283 Energy: 0.5985863800594928 Energy: 0.5837891346164084 Energy: 0.5985864354059436 Energy: 0.5840464403721927 Energy: 0.527422666219896 Energy: 0.5031129573402836 Energy: 0.5274226662194259 Energy: 0.5031129573412241 Energy: 0.527422666219896 Energy: 0.5031129573421643 Energy: 0.5028241814081352 Energy: 0.6101137552717023 Energy: 0.5028241814057843 Energy: 0.6101137552688812 Energy: 0.502824181407665 Energy: 0.6101137552698215 Energy: 0.613067564269434 Energy: 0.6640753752991014 Energy: 0.6130675642623814 Energy: 0.6640753753014522 Energy: 0.613067564280718 Energy: 0.6640753752981612 Energy: 0.631522422552411 Energy: 0.5035419721857941 Energy: 0.6315224225853014 Energy: 0.5035419721857941 Energy: 0.6315224225434777 Energy: 0.5035419721857941 Energy: 0.605075942910378 Energy: 0.6696180639804185 Energy: 0.6050759429131991 Energy: 0.6696180639799482 Energy: 0.6050759429174305 Energy: 0.6696180639799482 Energy: 0.5027483968346168 Energy: 0.6050686937591351 Energy: 0.502748396835087 Energy: 0.605068695912024 Energy: 0.5027483968355572 Energy: 0.6050686939988152 Energy: 0.5111044841684818 Energy: 0.5031641034215398 Energy: 0.5111044838075618 Energy: 0.5031641034375257 Energy: 0.5111044842826904 Energy: 0.503164103424831 Energy: 0.5933141986402941 Energy: 0.655315972510977 Energy: 0.5933141986473467 Energy: 0.655315972510977 Energy: 0.5933141986487571 Energy: 0.6553159725105068 Energy: 0.5985856895340316 Energy: 0.5875016525601033 Energy: 0.5985858177033804 Energy: 0.5813538435434117 Energy: 0.5985859650231969 Energy: 0.5805517969345495 Energy: 0.527422666219896 Energy: 0.5031129573412241 Energy: 0.527422666219896 Energy: 0.5031129573412241 Energy: 0.527422666219896 Energy: 0.5031129573402836 Energy: 0.5028241814067248 Energy: 0.6101137553144664 Energy: 0.5028241814067248 Energy: 0.6101137553064735 Energy: 0.5028241814071949 Energy: 0.6101137553027122 Energy: 0.6130675642971526 Energy: 0.6640753753075646 Energy: 0.613067564329573 Energy: 0.6640753753122448 Energy: 0.6130675643060859 Energy: 0.6640753753066242 Energy: 0.6315224225632248 Energy: 0.5035419721857941 Energy: 0.6315224225651055 Energy: 0.5035419721857941 Energy: 0.6315224225669861 Energy: 0.5035419721853239 Energy: 0.6050759428986238 Energy: 0.6696180639761868 Energy: 0.6050759428929817 Energy: 0.6696180639771271 Energy: 0.6050759428986238 Energy: 0.6696180639771271 Energy: 0.5027483968346168 Energy: 0.6050686935984009 Energy: 0.5027483968355572 Energy: 0.6050686921109741 Energy: 0.502748396835087 Energy: 0.605068694299596 Energy: 0.5111044694229763 Energy: 0.5031641033970911 Energy: 0.5111044693759806 Energy: 0.5031641034017927 Energy: 0.5111044694145132 Energy: 0.5031641034003821 Energy: 0.5933141990059371 Energy: 0.6553159725100367 Energy: 0.5933141989189983 Energy: 0.6553159725105068 Energy: 0.5933141990599852 Energy: 0.6553159725105068 Energy: 0.5985797326370303 Energy: 0.5779203960910051 Energy: 0.5985802367334095 Energy: 0.5838822246796456 Energy: 0.5985798525345858 Energy: 0.5825003466875402 Energy: 0.527422666219896 Energy: 0.5031129573407538 Energy: 0.527422666219896 Energy: 0.5031129573407538 Energy: 0.527422666219896 Energy: 0.5031129573426345 Energy: 0.5028241814062546 Energy: 0.6101137553168171 Energy: 0.5028241814067248 Energy: 0.6101137553092945 Energy: 0.502824181407665 Energy: 0.61011375529707 Energy: 0.6130675643183102 Energy: 0.6640753753141255 Energy: 0.6130675642966824 Energy: 0.6640753753169465 Energy: 0.6130675643497904 Energy: 0.6640753753164763 Energy: 0.6315224225162291 Energy: 0.5035419721853239 Energy: 0.6315224225044749 Energy: 0.5035419721857941 Energy: 0.6315224225383058 Energy: 0.5035419721862644 Energy: 0.6050759428685542 Energy: 0.6696180639705448 Energy: 0.6050759428676138 Energy: 0.6696180639705448 Energy: 0.6050759428629121 Energy: 0.6696180639705448 Energy: 0.502748396835087 Energy: 0.605068690845361 Energy: 0.5027483968355572 Energy: 0.6050686923365491 Energy: 0.5027483968355572 Energy: 0.605068692927767 minimum gb energy = 0.5027483968346168 eV minimum distance = 2.58124481269557 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.5602227455374881 Energy: 0.4760248218680788 Energy: 0.5602227455374881 Energy: 0.4760248218680788 Energy: 0.5602227455374881 Energy: 0.4760248218680788 Energy: 0.7546121747269693 Energy: 0.5476966025200398 Energy: 0.754612174728121 Energy: 0.5476966025188881 Energy: 0.7546121747258175 Energy: 0.5476966025223432 Energy: 0.5304589435061439 Energy: 0.5887027713306079 Energy: 0.5304589435061439 Energy: 0.6037331627066288 Energy: 0.5304589435061439 Energy: 0.6012104205492624 Energy: 0.6189586873647797 Energy: 0.5491550528136503 Energy: 0.6189586873682346 Energy: 0.5491550528124987 Energy: 0.6189586873705379 Energy: 0.5491550528113469 Energy: 0.6286017058835367 Energy: 0.4761198620046623 Energy: 0.6286017058835367 Energy: 0.476119862012724 Energy: 0.6286017058835367 Energy: 0.4761198620150274 Energy: 0.6276821146813445 Energy: 0.7090207723883669 Energy: 0.6276821146836478 Energy: 0.7090207723883669 Energy: 0.6276821146836478 Energy: 0.7090207723906703 Energy: 0.5505311289734252 Energy: 0.5395873319623946 Energy: 0.5505311289734252 Energy: 0.5395873319623946 Energy: 0.5505311289734252 Energy: 0.5395873319635464 Energy: 0.5619339719501518 Energy: 0.5722588067670197 Energy: 0.5619339719616686 Energy: 0.5722588067670197 Energy: 0.5619339719662754 Energy: 0.5722588067670197 Energy: 0.7566616606478186 Energy: 0.5306775644348513 Energy: 0.7566616606478186 Energy: 0.5306775644336995 Energy: 0.7566616606501219 Energy: 0.5306775644336995 Energy: 0.6104909956361386 Energy: 0.5963179539505566 Energy: 0.6104909956361386 Energy: 0.596317953949405 Energy: 0.6104909956361386 Energy: 0.5963179539505566 Energy: 0.49073594850892954 Energy: 0.5577707786993081 Energy: 0.49073594850777774 Energy: 0.5577707787004599 Energy: 0.49073594850777774 Energy: 0.5577707787004599 Energy: 0.642249873880151 Energy: 0.599278622087284 Energy: 0.642249873880151 Energy: 0.5992786220884356 Energy: 0.642249873880151 Energy: 0.5992786220895873 minimum gb energy = 0.4760248218680788 eV minimum distance = 2.55464547465875 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.5088297509158032 Energy: 0.5217314163552812 Energy: 0.5088297509161268 Energy: 0.5217314163556048 Energy: 0.5088297509158032 Energy: 0.5217314163552812 Energy: 0.6473052223741482 Energy: 0.5589251594261434 Energy: 0.6473003818270019 Energy: 0.5589251594258199 Energy: 0.6473051030632382 Energy: 0.5589251594209659 Energy: 0.5273504198558019 Energy: 0.6586172174401843 Energy: 0.5273504198561254 Energy: 0.6586172174282113 Energy: 0.5273504198558019 Energy: 0.6586172174272406 Energy: 0.5040893639442169 Energy: 0.5129793247333622 Energy: 0.5040891405193166 Energy: 0.5129793247330385 Energy: 0.5040898771458272 Energy: 0.5129793247333622 Energy: 0.515587545416184 Energy: 0.5032098662137143 Energy: 0.5155875454155368 Energy: 0.5032098662137143 Energy: 0.5155875454168312 Energy: 0.5032098662137143 Energy: 0.5906837424962598 Energy: 0.533751041031694 Energy: 0.590683737869638 Energy: 0.5337510410320176 Energy: 0.5906837422248825 Energy: 0.5337510410323413 Energy: 0.551398194261157 Energy: 0.5732002979534677 Energy: 0.5514002426525481 Energy: 0.5732002979521733 Energy: 0.5513989580134778 Energy: 0.573200297987445 Energy: 0.47484414669111397 Energy: 0.5114662169397973 Energy: 0.4748441466904668 Energy: 0.5114662169397973 Energy: 0.4748441466901432 Energy: 0.5114662169397973 Energy: 0.649139905790176 Energy: 0.5038575414808998 Energy: 0.6491399057882346 Energy: 0.5038575414808998 Energy: 0.6491399057985894 Energy: 0.5038575414808998 Energy: 0.5684988124204227 Energy: 0.6663396444486889 Energy: 0.5684988124217171 Energy: 0.6663396444567491 Energy: 0.5684988124207462 Energy: 0.6663396444496594 Energy: 0.4362934821310868 Energy: 0.4751963113895403 Energy: 0.43629348212979246 Energy: 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0.5935948491511078 Energy: 0.6030041152188799 Energy: 0.4373921669679186 Energy: 0.4804741603045168 Energy: 0.43739216696759503 Energy: 0.4804741603054877 Energy: 0.4373921669672714 Energy: 0.4804741603048404 Energy: 0.48727506267730686 Energy: 0.6343658684616887 Energy: 0.4872750626747181 Energy: 0.6343658513421238 Energy: 0.4872750626905742 Energy: 0.6343658513311214 Energy: 0.6070173294800186 Energy: 0.5744920925008349 Energy: 0.6070173294774298 Energy: 0.5744920925005114 Energy: 0.6070173294790479 Energy: 0.5744920925047181 Energy: 0.47751127605606536 Energy: 0.5814156157971503 Energy: 0.47751127716096053 Energy: 0.5814156157968267 Energy: 0.47751127665477217 Energy: 0.5814156157981211 Energy: 0.46753247841273776 Energy: 0.4814639490213044 Energy: 0.4675324784531575 Energy: 0.4814639490213044 Energy: 0.46753247847969215 Energy: 0.48146394902098083 Energy: 0.5941504192663689 Energy: 0.5960532177861583 Energy: 0.5941504192660453 Energy: 0.5960531322191333 Energy: 0.5941504192663689 Energy: 0.5960531125572416 Energy: 0.6861809411300839 Energy: 0.6951756616388263 Energy: 0.6861809411307311 Energy: 0.6951756616475634 Energy: 0.6861809411304075 Energy: 0.6951756616355904 Energy: 0.49105712873046997 Energy: 0.5439108051095578 Energy: 0.49105712871526114 Energy: 0.5439108051076457 Energy: 0.49105712873532387 Energy: 0.5439108051079692 Energy: 0.6053400030672018 Energy: 0.5414065836494507 Energy: 0.6053399676846984 Energy: 0.5414065836491271 Energy: 0.6053399962068147 Energy: 0.5414065836497743 Energy: 0.5846161712446806 Energy: 0.6374953661687988 Energy: 0.5846161700514737 Energy: 0.6374953661684751 Energy: 0.5846161708342169 Energy: 0.6374953661684751 Energy: 0.4958713975417607 Energy: 0.5658985855483905 Energy: 0.495871397534318 Energy: 0.5658985855445073 Energy: 0.49587139753625964 Energy: 0.5658985855483905 Energy: 0.4922059633340531 Energy: 0.4734538063455475 Energy: 0.4922059633366124 Energy: 0.47274562038893236 Energy: 0.49220596334114264 Energy: 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0.48685542693660155 Energy: 0.514295607264922 Energy: 0.48685542685249666 Energy: 0.5142956072558613 Energy: 0.4868554269750798 Energy: 0.5142956072600681 Energy: 0.46567302248493453 Energy: 0.6423725653177479 Energy: 0.4656730233466051 Energy: 0.6424348401065912 Energy: 0.4656730225535069 Energy: 0.6425896135052677 Energy: 0.6171005289892879 Energy: 0.5690345194678387 Energy: 0.617100528976344 Energy: 0.5690345194665443 Energy: 0.6171005289892879 Energy: 0.5690345194678387 Energy: 0.5088297509158032 Energy: 0.5217314163549577 Energy: 0.5088297509158032 Energy: 0.5217314163552812 Energy: 0.5088297509154796 Energy: 0.5217314163549577 Energy: 0.64950151598435 Energy: 0.5589251594274378 Energy: 0.6495016462647548 Energy: 0.5589251594284086 Energy: 0.6495017127873631 Energy: 0.5589251594284086 Energy: 0.5273504198464177 Energy: 0.6586172169611484 Energy: 0.5273504198460941 Energy: 0.658617216965355 Energy: 0.5273504198457705 Energy: 0.6586172169666493 Energy: 0.5032812248701084 Energy: 0.5129793247614853 Energy: 0.5032826756039074 Energy: 0.512979324761809 Energy: 0.5032802272406419 Energy: 0.512979324761809 Energy: 0.5155875454113301 Energy: 0.5032098662133908 Energy: 0.5155875454119773 Energy: 0.5032098662133908 Energy: 0.5155875454116537 Energy: 0.5032098662133908 minimum gb energy = 0.43629348212979246 eV minimum distance = 2.59830724033296 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.258555044990503 Energy: 0.2629924454877426 Energy: 0.258555044990503 Energy: 0.262992445487006 Energy: 0.258555044990503 Energy: 0.262992445487006 Energy: 0.5674616826834045 Energy: 0.25891943804874257 Energy: 0.5674616702099268 Energy: 0.2589208400456827 Energy: 0.5674615560742087 Energy: 0.25891881769628816 Energy: 0.26982579563907233 Energy: 0.5730512983890341 Energy: 0.2698393697903875 Energy: 0.5730512983882975 Energy: 0.2698373291110875 Energy: 0.5730512983890341 Energy: 0.2649357443655804 Energy: 0.26372526333104546 Energy: 0.2649357859496654 Energy: 0.26372526333178203 Energy: 0.2649357935290366 Energy: 0.26372526333104546 Energy: 0.782307993630005 Energy: 0.624528517466739 Energy: 0.7823079936255855 Energy: 0.6245371219495689 Energy: 0.7823079936358979 Energy: 0.6245444509732698 Energy: 0.25868997877323846 Energy: 0.2727286891566336 Energy: 0.258690121189097 Energy: 0.272728007711403 Energy: 0.25869130461147366 Energy: 0.272725090647888 Energy: 0.2587032009831176 Energy: 0.7430361207030398 Energy: 0.25869936626275697 Energy: 0.7430361206964103 Energy: 0.2586991571516931 Energy: 0.7430361206993569 Energy: 0.2920142285750202 Energy: 0.29359219179748025 Energy: 0.2920119575339032 Energy: 0.29359219179895346 Energy: 0.29201452636393693 Energy: 0.2935921917982169 Energy: 0.26493487214213773 Energy: 0.2637294073477964 Energy: 0.26493483803135126 Energy: 0.2637294073477964 Energy: 0.2649348394266348 Energy: 0.2637294073477964 Energy: 0.26957395611964924 Energy: 0.5753743039136235 Energy: 0.26957395294550623 Energy: 0.5753742992529236 Energy: 0.2695739786250258 Energy: 0.5753742763197408 Energy: 0.29296526536472767 Energy: 0.6345616668971656 Energy: 0.2929652653654643 Energy: 0.6345637713685021 Energy: 0.2929652653639911 Energy: 0.6345682380135459 Energy: 0.2585550449897664 Energy: 0.2629924454862694 Energy: 0.258555044990503 Energy: 0.2629924454877426 Energy: 0.2585550449897664 Energy: 0.262992445487006 Energy: 0.5674613840860523 Energy: 0.2589185053517161 Energy: 0.5674613099845135 Energy: 0.2589189958471702 Energy: 0.5674614715961352 Energy: 0.25891855148018283 Energy: 0.26983214801153454 Energy: 0.5730512983890341 Energy: 0.26983730770129244 Energy: 0.5730512983897708 Energy: 0.2698367723577767 Energy: 0.5730512983890341 Energy: 0.26493579783190885 Energy: 0.26372526333104546 Energy: 0.26493575266797303 Energy: 0.26372526333104546 Energy: 0.26493576810940844 Energy: 0.26372526333104546 Energy: 0.7823079934540209 Energy: 0.591266716733262 Energy: 0.7823079934437083 Energy: 0.593976315092037 Energy: 0.7823079934591772 Energy: 0.5838131910381344 Energy: 0.2586966250330333 Energy: 0.2727332453292162 Energy: 0.25869154592117083 Energy: 0.2727237460306129 Energy: 0.25869065098690286 Energy: 0.2727170888546459 Energy: 0.2587014752791782 Energy: 0.7430361206544233 Energy: 0.25870793134533226 Energy: 0.7430361206477937 Energy: 0.2587016384222906 Energy: 0.7430361206551598 Energy: 0.2920119285410874 Energy: 0.29359219179748025 Energy: 0.2920174475469738 Energy: 0.2935921917982169 Energy: 0.29201156144315227 Energy: 0.2935921917982169 minimum gb energy = 0.2585550449897664 eV minimum distance = 2.74382995509666 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.5355406361636198 Energy: 0.5237051216670153 Energy: 0.5355406361603823 Energy: 0.5237051216680945 Energy: 0.5355406361652384 Energy: 0.5237051216664758 Energy: 0.6309051608410525 Energy: 0.4519717381312365 Energy: 0.6309051912380597 Energy: 0.45197173812530106 Energy: 0.6309051772630906 Energy: 0.45197173812206354 Energy: 0.5302743279739398 Energy: 0.8246627608583575 Energy: 0.5302743279744794 Energy: 0.8246627608335366 Energy: 0.5302743279760982 Energy: 0.8246627608427097 Energy: 0.598853680419571 Energy: 0.5229720534804387 Energy: 0.5988536789924656 Energy: 0.5229720534809784 Energy: 0.5988536810290083 Energy: 0.5229720534701867 Energy: 0.4702753920905653 Energy: 0.4165484842375106 Energy: 0.4702753920905653 Energy: 0.4165484842375106 Energy: 0.4702753920900256 Energy: 0.4165484842375106 Energy: 0.6823197795867534 Energy: 0.4892522909565055 Energy: 0.682319779587293 Energy: 0.48925229095488676 Energy: 0.6823197795878325 Energy: 0.4892522909559659 Energy: 0.5416693444700097 Energy: 0.6078474053721642 Energy: 0.5416693444608367 Energy: 0.6078474064896457 Energy: 0.5416693447553523 Energy: 0.6078474056747245 Energy: 0.47996628310346906 Energy: 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Energy: 0.5247251350257158 Energy: 0.7375958095432148 Energy: 0.5247251350246367 Energy: 0.7375958095421357 Energy: 0.5940198627652655 Energy: 0.45427239467051617 Energy: 0.5940198625009667 Energy: 0.4542723946699765 Energy: 0.5940198625684148 Energy: 0.45427239467051617 Energy: 0.4967400640811112 Energy: 0.5250522323338387 Energy: 0.49674245771168124 Energy: 0.5250522323343784 Energy: 0.49673994703761853 Energy: 0.5250522323343784 Energy: 0.4701512449696436 Energy: 0.45269110219336256 Energy: 0.47015124496532695 Energy: 0.4526911021939022 Energy: 0.4701512449696436 Energy: 0.45269110219336256 Energy: 0.5573860716466316 Energy: 0.6411950232866451 Energy: 0.5573860716439336 Energy: 0.6411950232850264 Energy: 0.5573860702863855 Energy: 0.6411950232877243 Energy: 0.5744219898833467 Energy: 0.5295097995679234 Energy: 0.574422020055445 Energy: 0.5295097995695424 Energy: 0.5744220217101572 Energy: 0.5295097996019175 Energy: 0.48809221462078073 Energy: 0.4693705880100991 Energy: 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Energy: 0.5622050147213492 Energy: 0.7016897950208774 Energy: 0.5622050147208096 minimum gb energy = 0.410350060031868 eV minimum distance = 2.57300074118178 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.551104480796169 Energy: 0.4410303371822877 Energy: 0.551104480796169 Energy: 0.4410300100141302 Energy: 0.5511044807957437 Energy: 0.44103031525708014 Energy: 0.6143107601832973 Energy: 0.5116811944556848 Energy: 0.6143107601747916 Energy: 0.5116811944612135 Energy: 0.6143107602806489 Energy: 0.5116811944599376 Energy: 0.6028738419894074 Energy: 0.7709810847499069 Energy: 0.6028738419894074 Energy: 0.7709810847490564 Energy: 0.6028738419894074 Energy: 0.7709810847494815 Energy: 0.5690939172340643 Energy: 0.45088653626445596 Energy: 0.5690939172340643 Energy: 0.45088653626445596 Energy: 0.5690939172340643 Energy: 0.45088653626445596 Energy: 0.44640594135793926 Energy: 0.4424813586507714 Energy: 0.44640594135793926 Energy: 0.442481358701361 Energy: 0.44640594135793926 Energy: 0.44248135862527355 Energy: 0.6266440342561252 Energy: 0.5540952185814579 Energy: 0.6266440342773895 Energy: 0.5540952185814579 Energy: 0.6266440342484701 Energy: 0.5540952185810326 Energy: 0.5112587251973407 Energy: 0.6934453412896587 Energy: 0.5112587251960647 Energy: 0.6934453412896587 Energy: 0.5112587251969154 Energy: 0.6934453412896587 Energy: 0.4594557691992907 Energy: 0.45001888235109144 Energy: 0.45945576935828936 Energy: 0.4500188823455628 Energy: 0.45945576941694005 Energy: 0.4500188823472639 Energy: 0.45187917041504827 Energy: 0.49183411124939164 Energy: 0.45187917041674946 Energy: 0.49183411124981696 Energy: 0.45187917041504827 Energy: 0.4918341112600044 Energy: 0.6673040814877477 Energy: 0.6114388565707487 Energy: 0.6673040814864719 Energy: 0.6114388565728556 Energy: 0.6673040814915753 Energy: 0.6114388565711739 Energy: 0.6480173639870498 Energy: 0.6053173540242015 Energy: 0.648017363959851 Energy: 0.6053173540246267 Energy: 0.648017363971759 Energy: 0.6053173540242015 Energy: 0.4893011427197171 Energy: 0.5299729880586707 Energy: 0.4893011473838771 Energy: 0.5299729880590961 Energy: 0.48930114107374767 Energy: 0.5332395934848945 Energy: 0.45413526856531233 Energy: 0.4370320394516417 Energy: 0.4541352685648871 Energy: 0.4370320394516417 Energy: 0.45413526856531233 Energy: 0.4370320394516417 Energy: 0.4658295826259277 Energy: 0.657268498043526 Energy: 0.46582958262082436 Energy: 0.6572684980431008 Energy: 0.46582958262082436 Energy: 0.657268498043526 Energy: 0.6443635554967176 Energy: 0.5811011810528312 Energy: 0.6443635554967176 Energy: 0.5811011810528312 Energy: 0.6443635554967176 Energy: 0.5811011810528312 Energy: 0.43214817924023874 Energy: 0.5522513743704331 Energy: 0.4321481792351353 Energy: 0.5621821709073075 Energy: 0.43214817923173304 Energy: 0.5621821709077327 Energy: 0.4685587646723421 Energy: 0.43178432942686745 Energy: 0.46855876474249475 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Energy: 0.5638698062347198 Energy: 0.45764243886945566 Energy: 0.4348999594313107 Energy: 0.5397787143719467 Energy: 0.4348999594342876 Energy: 0.5204183943336189 Energy: 0.4348999594364141 Energy: 0.5204183943336189 Energy: 0.4368037924089415 Energy: 0.5064745420178233 Energy: 0.4368037923583519 Energy: 0.5064745420182486 Energy: 0.43680379238937844 Energy: 0.5064745420173979 Energy: 0.5252475818982978 Energy: 0.6898888405868192 Energy: 0.5252475818273139 Energy: 0.6898888405880952 Energy: 0.5252475813711955 Energy: 0.6898888405855435 Energy: 0.4642611057980443 Energy: 0.47204630368527933 Energy: 0.46426110580272245 Energy: 0.47204630368527933 Energy: 0.46426110580399826 Energy: 0.47204630368527933 Energy: 0.45111120810086097 Energy: 0.5297903254804789 Energy: 0.4511112081012863 Energy: 0.5595475099149204 Energy: 0.4511112081012863 Energy: 0.5466939716032984 Energy: 0.5958259534013426 Energy: 0.526368195343358 Energy: 0.5958259403381299 Energy: 0.5263681953357029 Energy: 0.5958259226834617 Energy: 0.5263681953365535 Energy: 0.7236958563122993 Energy: 0.5770222722832526 Energy: 0.7236958563101729 Energy: 0.5770222722832526 Energy: 0.7236958563118739 Energy: 0.5770222722828273 Energy: 0.4702920881295041 Energy: 0.48221920977283517 Energy: 0.47029208812780293 Energy: 0.4822192097707087 Energy: 0.4702920881269524 Energy: 0.4822192097707087 Energy: 0.46077112645788126 Energy: 0.4325774105725158 Energy: 0.46077112645745594 Energy: 0.4325774105720905 Energy: 0.46077112645788126 Energy: 0.4325774105737917 Energy: 0.4537941837793919 Energy: 0.5154559412720263 Energy: 0.4537941837798171 Energy: 0.515455941271601 Energy: 0.45379418378024244 Energy: 0.5154559412724515 minimum gb energy = 0.4317843288988953 eV minimum distance = 2.64712599787209 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.7363180192425608 Energy: 0.4835797496224162 Energy: 0.7363180223628681 Energy: 0.48357974962271466 Energy: 0.7363180185277537 Energy: 0.48357974962271466 Energy: 0.6826816572468327 Energy: 0.4417435116382686 Energy: 0.6826816574986324 Energy: 0.44174351163916403 Energy: 0.6826816578652883 Energy: 0.4417435116388656 Energy: 0.6289828448869549 Energy: 0.7927524199358301 Energy: 0.6289828448881487 Energy: 0.7927524199376209 Energy: 0.6289828448863579 Energy: 0.7927524199415009 Energy: 0.6537319944759856 Energy: 0.47602421347731755 Energy: 0.6537319944756872 Energy: 0.47602421347284046 Energy: 0.6537319944756872 Energy: 0.47602421347403434 Energy: 0.46596254756507277 Energy: 0.6313400838862959 Energy: 0.4659625475656698 Energy: 0.6313400838859974 Energy: 0.4659625475656698 Energy: 0.6313400838862959 Energy: 0.5821989820789958 Energy: 0.5773510398728804 Energy: 0.5821989820786972 Energy: 0.5773510398722833 Energy: 0.5821989820781004 Energy: 0.5773510398704925 Energy: 0.5054150035989547 Energy: 0.7896553994297694 Energy: 0.5054150035721198 Energy: 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0.5784527024683235 Energy: 0.4819269720156939 Energy: 0.5784527024683235 Energy: 0.4819269720159924 Energy: 0.5784527024680249 Energy: 0.5935157261682816 Energy: 0.49274052217117814 Energy: 0.5935157261682816 Energy: 0.49274052217177505 Energy: 0.5935157261688786 Energy: 0.49274052217117814 Energy: 0.6378663546402279 Energy: 0.7320376655664897 Energy: 0.6378663546420187 Energy: 0.7320376652744239 Energy: 0.6378663546456004 Energy: 0.7320376653242412 Energy: 0.6383008945171539 Energy: 0.7855044256954784 Energy: 0.6383008945177508 Energy: 0.7855044436538648 Energy: 0.6383008945186462 Energy: 0.785504446569829 Energy: 0.5911025191020384 Energy: 0.4894956610167679 Energy: 0.5911025191017399 Energy: 0.4894956610146787 Energy: 0.5911025191020384 Energy: 0.4894956610167679 Energy: 0.4593714248541959 Energy: 0.5729501983534679 Energy: 0.45937404820476574 Energy: 0.5729501983373507 Energy: 0.45937341009055316 Energy: 0.5729501983373507 Energy: 0.5645503745774021 Energy: 0.5983472528665994 Energy: 0.5645503745771036 Energy: 0.5983472528862984 Energy: 0.5645503745771036 Energy: 0.5983472528674949 Energy: 0.546636660115001 Energy: 0.7660102702576843 Energy: 0.5466366600842857 Energy: 0.7660102702392062 Energy: 0.5466366602492578 Energy: 0.7660102702544284 Energy: 0.48471261533840804 Energy: 0.5939668865712884 Energy: 0.48471261533840804 Energy: 0.5939668865620359 Energy: 0.4847126153387065 Energy: 0.5939668865694976 Energy: 0.47405785357773367 Energy: 0.5014029395586926 Energy: 0.47405830052245196 Energy: 0.5014029395586926 Energy: 0.4740578030075532 Energy: 0.5014029395589911 Energy: 0.7209378221337633 Energy: 0.566069430222398 Energy: 0.7209378221337633 Energy: 0.566069430222398 Energy: 0.7209378221337633 Energy: 0.5660694302218011 Energy: 0.5204992606490462 Energy: 0.5732563725788842 Energy: 0.520499260657105 Energy: 0.5732563725803764 Energy: 0.520499260655911 Energy: 0.5732563725633638 Energy: 0.6093997796368342 Energy: 0.47302918109444636 Energy: 0.6093997796377297 Energy: 0.4730291810902678 Energy: 0.6093997796350434 Energy: 0.4730291810902678 Energy: 0.4676581227819019 Energy: 0.6319110919223895 Energy: 0.46765812278309576 Energy: 0.6319110919182109 Energy: 0.4676581227822004 Energy: 0.6319110919200017 Energy: 0.7252675544420916 Energy: 0.5282566699356559 Energy: 0.7252675600469393 Energy: 0.5282566699371483 Energy: 0.7252675582425834 Energy: 0.5282566699380437 Energy: 0.4391090700165997 Energy: 0.6884367464411282 Energy: 0.4391090700163013 Energy: 0.6884367464533654 Energy: 0.4391090700165997 Energy: 0.6884367464467992 minimum gb energy = 0.4391090700163013 eV minimum distance = 2.65144068324251 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.5140394625591368 Energy: 0.35265033102867793 Energy: 0.5140394625589327 Energy: 0.352650331028474 Energy: 0.5140394625587288 Energy: 0.352650331028474 Energy: 0.36555811376777275 Energy: 0.31971635102365503 Energy: 0.36555811366529173 Energy: 0.319716351023043 Energy: 0.3655581138656748 Energy: 0.31971635102324697 Energy: 0.5236352244210264 Energy: 0.7818429117439837 Energy: 0.5264431355271751 Energy: 0.7818429117439837 Energy: 0.5264431355275832 Energy: 0.7818429117437796 Energy: 0.38277579693149977 Energy: 0.3196362264901064 Energy: 0.38277579695464353 Energy: 0.3196362264903104 Energy: 0.3827757969723697 Energy: 0.3196362264899024 Energy: 0.5140394625597261 Energy: 0.352650331028474 Energy: 0.5140394625587288 Energy: 0.352650331028882 Energy: 0.5140394625577314 Energy: 0.35265033102867793 Energy: 0.3655581134693061 Energy: 0.31971635102385904 Energy: 0.3655581134166489 Energy: 0.319716351023451 Energy: 0.3655581134371859 Energy: 0.31971635102365503 Energy: 0.44199051747185286 Energy: 0.7818429117439837 Energy: 0.4419905174726462 Energy: 0.7818429117441875 Energy: 0.44199051747343965 Energy: 0.7818429117441875 minimum gb energy = 0.3196362264899024 eV minimum distance = 2.67642890975168 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.6376085637198625 Energy: 0.5680846156650443 Energy: 0.6146933488766249 Energy: 0.5680846156642052 Energy: 0.6376085635898613 Energy: 0.5680846156645014 Energy: 0.6094355868622342 Energy: 0.5797830860595465 Energy: 0.6094355868600626 Energy: 0.5797828442184595 Energy: 0.6094355868600626 Energy: 0.5797831759869924 Energy: 0.5034074126955477 Energy: 0.6874961241439334 Energy: 0.5082918839325371 Energy: 0.6874961240709372 Energy: 0.5034074126942152 Energy: 0.687496124124142 Energy: 0.6138991511645561 Energy: 0.5366103457928293 Energy: 0.6138991570673757 Energy: 0.5366103459735183 Energy: 0.6138991512128747 Energy: 0.5366103436284111 Energy: 0.5705768495420731 Energy: 0.564877294591551 Energy: 0.5705768495423199 Energy: 0.5648772945899224 Energy: 0.570576849542616 Energy: 0.564877294591551 Energy: 0.5402931571165489 Energy: 0.6673392905721489 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0.5804118170620697 Energy: 0.5195286053709376 Energy: 0.6778271455367286 Energy: 0.5302954253181003 Energy: 0.6778271455481694 Energy: 0.5302954253181003 Energy: 0.6778271455175289 Energy: 0.5302954253185579 Energy: 0.5310134872646632 Energy: 0.5989702810981178 Energy: 0.5310134872651209 Energy: 0.5989702810981178 Energy: 0.5310134872646632 Energy: 0.5989702810981178 Energy: 0.5496286623527444 Energy: 0.5661702215017859 Energy: 0.5496286623527444 Energy: 0.5661702215017859 Energy: 0.5496286623545541 Energy: 0.5661702215017859 Energy: 0.5768234691661682 Energy: 0.48753334274679055 Energy: 0.5768234691657106 Energy: 0.4875333427463329 Energy: 0.5768234691657106 Energy: 0.48753334274679055 Energy: 0.6445299538386169 Energy: 0.6437255665537681 Energy: 0.6516694966142514 Energy: 0.6437255713196961 Energy: 0.6426657719221682 Energy: 0.6437255692772714 Energy: 0.5053310860459889 Energy: 0.605060401856002 Energy: 0.5053310860455312 Energy: 0.6050603978535262 Energy: 0.5053310860455312 Energy: 0.6050604021144591 minimum gb energy = 0.48100197874544354 eV minimum distance = 2.49167864575224 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.5562145448560823 Energy: 0.518388940886966 Energy: 0.5562145448566748 Energy: 0.5183889408774854 Energy: 0.5562145448560823 Energy: 0.5183889408863734 Energy: 0.5271523149095655 Energy: 0.5390942553804766 Energy: 0.5271523149095655 Energy: 0.5390942553781065 Energy: 0.5271523149095655 Energy: 0.5390942553917348 Energy: 0.5181206244854105 Energy: 0.6281128859032452 Energy: 0.5181206244854105 Energy: 0.6281128858795438 Energy: 0.5181206244854105 Energy: 0.628112885898505 Energy: 0.6761399848128288 Energy: 0.5178996660477097 Energy: 0.6761399848169765 Energy: 0.5178996660405992 Energy: 0.6761399848181615 Energy: 0.517899666044747 Energy: 0.607185707884107 Energy: 0.5255373246731745 Energy: 0.607185707884107 Energy: 0.5255373246731745 Energy: 0.607185707884107 Energy: 0.5255373246731745 Energy: 0.5185342514943584 Energy: 0.542027634629404 Energy: 0.5185342514943584 Energy: 0.5420276345648448 Energy: 0.5185342514943584 Energy: 0.5420276345843714 Energy: 0.6389665643001493 Energy: 0.5992209618617143 Energy: 0.6389665643001493 Energy: 0.5992209618617143 Energy: 0.6389665643001493 Energy: 0.5992209618623068 Energy: 0.5451519476344704 Energy: 0.5218671486338423 Energy: 0.5451519476326927 Energy: 0.5218671486356198 Energy: 0.5451519476326927 Energy: 0.5218671486326573 Energy: 0.5885053512901558 Energy: 0.526540990194724 Energy: 0.5885053512901558 Energy: 0.526540990194724 Energy: 0.5885053512901558 Energy: 0.526540990194724 Energy: 0.5988018132618457 Energy: 0.6124787746036588 Energy: 0.5988018132618457 Energy: 0.5648286977819732 Energy: 0.5988018132618457 Energy: 0.5648286977819732 Energy: 0.6739528336834535 Energy: 0.5888301914239 Energy: 0.6739528336674551 Energy: 0.5888301914239 Energy: 0.6739528336798983 Energy: 0.5888301914233075 Energy: 0.5824701336176474 Energy: 0.5357140909213086 Energy: 0.582470133617055 Energy: 0.5357140909213086 Energy: 0.5824701336176474 Energy: 0.5357140909213086 Energy: 0.477426270871394 Energy: 0.5271614533686633 Energy: 0.477426270871394 Energy: 0.5271614533627378 Energy: 0.477426270871394 Energy: 0.5271614533692557 Energy: 0.6706918382162674 Energy: 0.5088039281442852 Energy: 0.6706918382144899 Energy: 0.5088039281436927 Energy: 0.6706918382150825 Energy: 0.5088039281442852 Energy: 0.6557724835435146 Energy: 0.48552815150734335 Energy: 0.6557724835375893 Energy: 0.4855281515026031 Energy: 0.6557724835488474 Energy: 0.48552815150497325 Energy: 0.5965091590044097 Energy: 0.5287022156803693 Energy: 0.5965091590044097 Energy: 0.5287022156803693 Energy: 0.5965091590038172 Energy: 0.5287022156803693 Energy: 0.43651389970338245 Energy: 0.5772081707367156 Energy: 0.4365138997027899 Energy: 0.5772081704524342 Energy: 0.4365138997027899 Energy: 0.5772081704399911 Energy: 0.6426751673020242 Energy: 0.5741818985319569 Energy: 0.6426751673979877 Energy: 0.5741818985319569 Energy: 0.6426751671871267 Energy: 0.5741818985319569 Energy: 0.43666298601981784 Energy: 0.5657941406113681 Energy: 0.43666298601922526 Energy: 0.5715893820789509 Energy: 0.43666298601922526 Energy: 0.5636668975870277 Energy: 0.5932543136562797 Energy: 0.5291274235957859 Energy: 0.5932543136556871 Energy: 0.5291274235957859 Energy: 0.593254313654502 Energy: 0.5291274235957859 Energy: 0.652410738516128 Energy: 0.4890348676094891 Energy: 0.6524107385137579 Energy: 0.4890348676047488 Energy: 0.6524107385149429 Energy: 0.4890348676059339 Energy: 0.6774689269945933 Energy: 0.6212656614329302 Energy: 0.6774689269951858 Energy: 0.6212656614341151 Energy: 0.6774689269945933 Energy: 0.6212656614347076 Energy: 0.47395728764152467 Energy: 0.5271515455306272 Energy: 0.47395728763977396 Energy: 0.5271515455276646 Energy: 0.47395728763858896 Energy: 0.5271515455252944 Energy: 0.5821478011871196 Energy: 0.538033206254833 Energy: 0.5821478011669735 Energy: 0.5380332062542406 Energy: 0.5821478011835644 Energy: 0.5380332062542406 minimum gb energy = 0.4365138997027899 eV minimum distance = 2.58387356447694 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.5758876259378501 Energy: 0.5156593195249523 Energy: 0.5758876259370121 Energy: 0.5156593142162693 Energy: 0.5758876259378501 Energy: 0.5156593202402726 Energy: 0.5468358426559587 Energy: 0.6382842485319775 Energy: 0.5468358426576347 Energy: 0.6382842484850704 Energy: 0.5468358426593106 Energy: 0.6382842485336534 Energy: 0.4732291474522124 Energy: 0.7312647391157997 Energy: 0.4732291474522124 Energy: 0.7312647391233223 Energy: 0.4732291474522124 Energy: 0.7312647391149617 Energy: 0.5282969142528585 Energy: 0.525698623721172 Energy: 0.5282969142528585 Energy: 0.5256986243418401 Energy: 0.5282969142536964 Energy: 0.5256986233157858 Energy: 0.5387260760060403 Energy: 0.5397686829874577 Energy: 0.5387260760052024 Energy: 0.5397686829882957 Energy: 0.5387260760052024 Energy: 0.5397686829874577 Energy: 0.5521777237320149 Energy: 0.6613240095211371 Energy: 0.5521777237320149 Energy: 0.6613240095152714 Energy: 0.5521777237320149 Energy: 0.6613240095186231 Energy: 0.6031492157710062 Energy: 0.6018333478659152 Energy: 0.6031491255501351 Energy: 0.6018333478667531 Energy: 0.6031502111698341 Energy: 0.6018333478642393 Energy: 0.5274279243851131 Energy: 0.5349531621226228 Energy: 0.5274279243851131 Energy: 0.5349531621226228 Energy: 0.5274279243859512 Energy: 0.5349531621226228 Energy: 0.46779005613192204 Energy: 0.5541660275121925 Energy: 0.46779005613192204 Energy: 0.5541660275121925 Energy: 0.46779005613192204 Energy: 0.5541660275121925 Energy: 0.5907416295211289 Energy: 0.6216956056083779 Energy: 0.5907416295202907 Energy: 0.621696088404017 Energy: 0.5907416295186149 Energy: 0.6216963311394821 Energy: 0.576955373215415 Energy: 0.5104012751941015 Energy: 0.57695537893535 Energy: 0.5104012751941015 Energy: 0.5769553720402595 Energy: 0.5104012751941015 Energy: 0.5311766352964693 Energy: 0.528765384413364 Energy: 0.5311766352964693 Energy: 0.5287653844116882 Energy: 0.5311766352964693 Energy: 0.5287653844125261 Energy: 0.5414928195683885 Energy: 0.5836219351680538 Energy: 0.5414928195306988 Energy: 0.5836219351680538 Energy: 0.541492819652985 Energy: 0.5836219351680538 Energy: 0.6466837230202171 Energy: 0.48819794516466875 Energy: 0.6466837230210551 Energy: 0.48819794516466875 Energy: 0.6466837230151893 Energy: 0.48819794516466875 Energy: 0.5336472144533352 Energy: 0.5405851018182025 Energy: 0.5336472144541732 Energy: 0.5405851018173646 Energy: 0.5336472144533352 Energy: 0.5405851018173646 Energy: 0.5708513389991203 Energy: 0.5971124194688323 Energy: 0.5708513389991203 Energy: 0.5971124194688323 Energy: 0.5708513389982823 Energy: 0.5971124194688323 Energy: 0.5714449234767547 Energy: 0.495877197398961 Energy: 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0.6361050179181676 Energy: 0.543468472318179 Energy: 0.6361050179184911 Energy: 0.5434684723185025 Energy: 0.6361050179181676 Energy: 0.4582817482209589 Energy: 0.5322315184390295 Energy: 0.4582817482209589 Energy: 0.5322315184247913 Energy: 0.4582817482212824 Energy: 0.532231518436117 Energy: 0.5828227529619358 Energy: 0.5166768602316779 Energy: 0.5828227529525516 Energy: 0.5166768602313543 Energy: 0.5828227529619358 Energy: 0.5166768602316779 Energy: 0.5133540786077864 Energy: 0.6164303714716219 Energy: 0.5133540786071391 Energy: 0.6164303716132971 Energy: 0.5133540786071391 Energy: 0.6164303715984117 Energy: 0.5303166558900148 Energy: 0.7012564170273694 Energy: 0.5303166558942214 Energy: 0.7012564170244571 Energy: 0.5303166558816308 Energy: 0.7012564170322233 Energy: 0.5759550168436871 Energy: 0.48319276074916623 Energy: 0.5759550168504826 Energy: 0.4831927607494898 Energy: 0.5759550168401275 Energy: 0.4831927607494898 Energy: 0.5060280287303669 Energy: 0.5069157007170816 Energy: 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0.44450028489156596 Energy: 0.6294517230915879 Energy: 0.4445002848912423 Energy: 0.5057822158275193 Energy: 0.5593381477086679 Energy: 0.5057822158139282 Energy: 0.5593381477348789 Energy: 0.5057822158194293 Energy: 0.5593381477371441 Energy: 0.5432645744212473 Energy: 0.6161094996052514 Energy: 0.5432645744144518 Energy: 0.6161094995428273 Energy: 0.5432645744021847 Energy: 0.6161094992284416 Energy: 0.5365811411880549 Energy: 0.449872233911751 Energy: 0.5365811411883784 Energy: 0.45442437776327965 Energy: 0.5365811411838483 Energy: 0.4544243777626325 Energy: 0.5375425602696268 Energy: 0.6231812866541344 Energy: 0.5375425602767457 Energy: 0.6231812866311888 Energy: 0.5375425602699503 Energy: 0.6231812873456831 Energy: 0.5166988803571874 Energy: 0.5081258323149381 Energy: 0.5166988803565402 Energy: 0.5081258324510827 Energy: 0.516698880357511 Energy: 0.5081258324543186 Energy: 0.6063383258137078 Energy: 0.4443675712796611 Energy: 0.6063353857899487 Energy: 0.4443675712799847 Energy: 0.606337263243299 Energy: 0.4443675712796611 Energy: 0.4941636795375993 Energy: 0.5757620091922352 Energy: 0.49416367784402876 Energy: 0.575762064853429 Energy: 0.49416367958710905 Energy: 0.5757616710591301 Energy: 0.5080239859348477 Energy: 0.6492896325559144 Energy: 0.5080239858892505 Energy: 0.6492896325552672 Energy: 0.5080239862143148 Energy: 0.6492896325559144 Energy: 0.5415750992446686 Energy: 0.5502987431948082 Energy: 0.5416161844124182 Energy: 0.5502987431906013 Energy: 0.5415964719622977 Energy: 0.5502987431883364 Energy: 0.5516565936990937 Energy: 0.5905478586222881 Energy: 0.5516566138503471 Energy: 0.590547858625524 Energy: 0.5516565860339883 Energy: 0.5905478586232589 Energy: 0.45101755082479295 Energy: 0.6521475664499765 Energy: 0.4510175508273817 Energy: 0.6521475664496529 Energy: 0.4510175508254401 Energy: 0.6521475664493293 Energy: 0.509441283480235 Energy: 0.5980130308372454 Energy: 0.5094412834805585 Energy: 0.5980130308569552 Energy: 0.509441283480235 Energy: 0.5980130306991298 Energy: 0.5409939524877013 Energy: 0.4595117802462021 Energy: 0.5409939524902901 Energy: 0.45951178024523137 Energy: 0.5409939524899665 Energy: 0.4595117802429662 Energy: 0.5016992639270199 Energy: 0.697287704370215 Energy: 0.5016992639270199 Energy: 0.6972877043621252 Energy: 0.5016992639273435 Energy: 0.6972877043673026 Energy: 0.5137850030322484 Energy: 0.5942017212245917 Energy: 0.5137850030300126 Energy: 0.5942021911848487 Energy: 0.5137850030300126 Energy: 0.5942022355378925 Energy: 0.5730972194431714 Energy: 0.5186149860191702 Energy: 0.5730972194425242 Energy: 0.5186149860191702 Energy: 0.5730972194425242 Energy: 0.5186149860194937 Energy: 0.4583505690705304 Energy: 0.5712970662176942 Energy: 0.45835056907020677 Energy: 0.5712970529850455 Energy: 0.4583505690705304 Energy: 0.5712970610250193 Energy: 0.5452030669378283 Energy: 0.6556864408194483 Energy: 0.545203066924561 Energy: 0.6556864408197719 Energy: 0.5452030668585774 Energy: 0.6556864408194483 Energy: 0.49960765421890835 Energy: 0.4697934122885831 Energy: 0.49960765431401544 Energy: 0.46979341228728877 Energy: 0.49960765425838677 Energy: 0.4697934122889067 Energy: 0.4431175867603722 Energy: 0.545353245385 Energy: 0.4431175867613135 Energy: 0.545353245385 Energy: 0.4431175867613135 Energy: 0.545353245385 Energy: 0.5202424224544513 Energy: 0.6146650408882877 Energy: 0.5202424224826039 Energy: 0.6146650408886113 Energy: 0.5202424224777501 Energy: 0.6146650408866697 Energy: 0.5391512935669779 Energy: 0.598492186584995 Energy: 0.5391512935682723 Energy: 0.598492186584995 Energy: 0.539151293567625 Energy: 0.5984921865853187 Energy: 0.5103495586240788 Energy: 0.5679323899902484 Energy: 0.5103495586078992 Energy: 0.5679323899908956 Energy: 0.5103495586205192 Energy: 0.5679323899908956 Energy: 0.4433550687719158 Energy: 0.5415120318347904 Energy: 0.4433550687719158 Energy: 0.541512032321269 Energy: 0.44335506877288655 Energy: 0.5415120364268169 Energy: 0.5026252163931305 Energy: 0.544352555118348 Energy: 0.5026252163300592 Energy: 0.5443525551177008 Energy: 0.5026252163530344 Energy: 0.544352555118348 Energy: 0.5434684723191496 Energy: 0.6361050179184911 Energy: 0.5434684723191496 Energy: 0.6361050179181676 Energy: 0.5434684723188261 Energy: 0.6361050179184911 minimum gb energy = 0.4431175867603722 eV minimum distance = 2.55809118345746 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.5599730927437686 Energy: 0.5682153025107126 Energy: 0.5599730927490374 Energy: 0.5682153014258032 Energy: 0.559973092746403 Energy: 0.5682153046220947 Energy: 0.5761240477794831 Energy: 0.5099500113488307 Energy: 0.5761240477789562 Energy: 0.5099500113440886 Energy: 0.5761240477789562 Energy: 0.5099500113351315 Energy: 0.4894025022907519 Energy: 0.5058769657909225 Energy: 0.4894025022907519 Energy: 0.5058769657730083 Energy: 0.4894025022912788 Energy: 0.5058769657777502 Energy: 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Energy: 0.471554190556017 Energy: 0.6213990038016759 Energy: 0.4715541905549632 Energy: 0.6213990014686178 Energy: 0.4715541905549632 Energy: 0.5154103834557036 Energy: 0.5627073372493406 Energy: 0.515410503564319 Energy: 0.5627073372498674 Energy: 0.5154082419804104 Energy: 0.5627073372488137 Energy: 0.4182085396187593 Energy: 0.5419104740078098 Energy: 0.41820853961981314 Energy: 0.5419104740099173 Energy: 0.4182085396192863 Energy: 0.5419104740062292 Energy: 0.5491817735613995 Energy: 0.4311704154622566 Energy: 0.5491817735956472 Energy: 0.43117041547964396 Energy: 0.5491817736214648 Energy: 0.43117041545751467 Energy: 0.6135957092993074 Energy: 0.5438677180327469 Energy: 0.6135957092993074 Energy: 0.5438677519028988 Energy: 0.6135957092993074 Energy: 0.5438677140186302 Energy: 0.5270779764774773 Energy: 0.6016132690675811 Energy: 0.5270779764753698 Energy: 0.6016132690675811 Energy: 0.5270779764758967 Energy: 0.6016132690675811 Energy: 0.5939382780227005 Energy: 0.5299421149842457 Energy: 0.5939382780948361 Energy: 0.529942114977923 Energy: 0.593938278056948 Energy: 0.529942114982665 Energy: 0.6189275228649463 Energy: 0.512669447592625 Energy: 0.6189275228644194 Energy: 0.5126694476015341 Energy: 0.6189275228649463 Energy: 0.5126694475942055 Energy: 0.5543410318623101 Energy: 0.5883437742866724 Energy: 0.5543410318428154 Energy: 0.5883437742866724 Energy: 0.5543410318670522 Energy: 0.5883437742908876 Energy: 0.5836831506785545 Energy: 0.5675729168910362 Energy: 0.5836831506811889 Energy: 0.5673768104649209 Energy: 0.5836831506790815 Energy: 0.5673767348184778 Energy: 0.6156279934165972 Energy: 0.43948699050543766 Energy: 0.6156279934176511 Energy: 0.4394869905064914 Energy: 0.6156279934150166 Energy: 0.4394869905064914 Energy: 0.5914472978320576 Energy: 0.5586046149566046 Energy: 0.5914472978315307 Energy: 0.5586046149571315 Energy: 0.5914472978320576 Energy: 0.5586046149566046 Energy: 0.5818646871875616 Energy: 0.5789261811245223 Energy: 0.5818646871865077 Energy: 0.5789261811239953 Energy: 0.5818646871854539 Energy: 0.5789261811250491 Energy: 0.6184299731035999 Energy: 0.41639907900231465 Energy: 0.6184299733832335 Energy: 0.41639907900231465 Energy: 0.6184299731051807 Energy: 0.41639907900231465 Energy: 0.5830250415221518 Energy: 0.602500573060513 Energy: 0.5830250419703417 Energy: 0.6025005730589323 Energy: 0.5830250415453349 Energy: 0.6025005730620936 Energy: 0.602148499550995 Energy: 0.5414750437052384 Energy: 0.6021484995552101 Energy: 0.5414750437052384 Energy: 0.6021484995552101 Energy: 0.5414750437047114 Energy: 0.6278539300276174 Energy: 0.4165825663304417 Energy: 0.6278539300207678 Energy: 0.4165825663299148 Energy: 0.6278539300212946 Energy: 0.4165825663299148 Energy: 0.5518593290886377 Energy: 0.5774624898205096 Energy: 0.5518593290881108 Energy: 0.5774624898126063 Energy: 0.5518593290886377 Energy: 0.5774624898136601 minimum gb energy = 0.41639907900231465 eV minimum distance = 2.55125225410528 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.6277042911120401 Energy: 0.6059799937020954 Energy: 0.6277042910525716 Energy: 0.6059799937017116 Energy: 0.6277042911381447 Energy: 0.6059799937013277 Energy: 0.5504738017405055 Energy: 0.45578828319141806 Energy: 0.5504738017405055 Energy: 0.4557940042064757 Energy: 0.5504738017408894 Energy: 0.45578830779990603 Energy: 0.4202157421074065 Energy: 0.5487387150425146 Energy: 0.4202157414600589 Energy: 0.5487387153291426 Energy: 0.42021574187794336 Energy: 0.5487387150544153 Energy: 0.489735042637458 Energy: 0.4872904477535776 Energy: 0.48973495397385 Energy: 0.48729045165678736 Energy: 0.48973511083100935 Energy: 0.48729045144690286 Energy: 0.5235124952609763 Energy: 0.46995358887396443 Energy: 0.5235442253899081 Energy: 0.4699535888801067 Energy: 0.5066153736019936 Energy: 0.4699535888781872 Energy: 0.3657755977218614 Energy: 0.4943142534465601 Energy: 0.36577559771955803 Energy: 0.49431425313305943 Energy: 0.3657755977218614 Energy: 0.4943142530613065 Energy: 0.4773849954209587 Energy: 0.46871894804990155 Energy: 0.47738499545320573 Energy: 0.46871894483162585 Energy: 0.4773849954178876 Energy: 0.4687189425492452 Energy: 0.5426633651806835 Energy: 0.5057040221762283 Energy: 0.542663365182603 Energy: 0.5057040213535466 Energy: 0.5426633651814513 Energy: 0.5057040186187313 Energy: 0.36090700759852196 Energy: 0.503006383688064 Energy: 0.36090700759852196 Energy: 0.5030064486855705 Energy: 0.3609070075989059 Energy: 0.5030063846657686 Energy: 0.5467516016150002 Energy: 0.44459173900894194 Energy: 0.546749515469978 Energy: 0.4445917389920507 Energy: 0.546750116394117 Energy: 0.4445917389832561 Energy: 0.45182189456373995 Energy: 0.4266263359971238 Energy: 0.45182189456565935 Energy: 0.42662635994751524 Energy: 0.4518218945618205 Energy: 0.4266263594555744 Energy: 0.43031624826594767 Energy: 0.5164348945666704 Energy: 0.4303162436643327 Energy: 0.5171398602542931 Energy: 0.4303162480122994 Energy: 0.516503372273236 Energy: 0.526931145896537 Energy: 0.3937139195138926 Energy: 0.5269311740264363 Energy: 0.3937139195142766 Energy: 0.5269311355533206 Energy: 0.3937139195138926 Energy: 0.4486352715382067 Energy: 0.4647579030260491 Energy: 0.44863519607387053 Energy: 0.4697188121741811 Energy: 0.44863670801527894 Energy: 0.4651862823326162 Energy: 0.450604859489151 Energy: 0.5335401704004115 Energy: 0.4506048594895349 Energy: 0.5335401704023309 Energy: 0.450604859489151 Energy: 0.5335401704111604 Energy: 0.49432475909569684 Energy: 0.3671328610608693 Energy: 0.49432475441583756 Energy: 0.3671328610608693 Energy: 0.4943247315851209 Energy: 0.36713286106125326 Energy: 0.5240047203026049 Energy: 0.47974747003436624 Energy: 0.5240047205416654 Energy: 0.47974747004089247 Energy: 0.5240047204772063 Energy: 0.47974747004281193 Energy: 0.38500189415799785 Energy: 0.5037374400309159 Energy: 0.38500189407587976 Energy: 0.5037374400316836 Energy: 0.38500189401103685 Energy: 0.5037374400320676 Energy: 0.5696653034775906 Energy: 0.42987993615096304 Energy: 0.5696653033563502 Energy: 0.42987993615096304 Energy: 0.5696653033805006 Energy: 0.42987993615096304 Energy: 0.5100863791372667 Energy: 0.4769934323353589 Energy: 0.5100877303623839 Energy: 0.47730593820028644 Energy: 0.5100860803858223 Energy: 0.4769809556796417 Energy: 0.5014542684073614 Energy: 0.5089157310598029 Energy: 0.5014542684092809 Energy: 0.5089157285000075 Energy: 0.501454268408513 Energy: 0.5089157310743908 Energy: 0.5098861860093269 Energy: 0.4461095599033419 Energy: 0.5098861859997296 Energy: 0.44610955668199503 Energy: 0.5098861859679015 Energy: 0.4461095599109848 Energy: 0.5413017043894517 Energy: 0.5004079768868175 Energy: 0.5413017043898356 Energy: 0.5004079768868175 Energy: 0.5413017043894517 Energy: 0.500407976884898 Energy: 0.4891501462280212 Energy: 0.46992878303069024 Energy: 0.4891501462299407 Energy: 0.4699264431275789 Energy: 0.48915014625220643 Energy: 0.46992841125503526 Energy: 0.46062621435310985 Energy: 0.5046972597456942 Energy: 0.4606261848153372 Energy: 0.5046972597453103 Energy: 0.4606262171281992 Energy: 0.5046972597456942 Energy: 0.4640027938699931 Energy: 0.4196814769444323 Energy: 0.46400279388569776 Energy: 0.41968147689801616 Energy: 0.4640027938696092 Energy: 0.41968147693752217 Energy: 0.4883164624843252 Energy: 0.4854330147024887 Energy: 0.488316462484709 Energy: 0.4854330150044725 Energy: 0.4883164624843252 Energy: 0.48543301500600805 Energy: 0.4271595812804711 Energy: 0.5089309261718391 Energy: 0.42701897419338675 Energy: 0.508930925698709 Energy: 0.42700081961004566 Energy: 0.5089309263356914 Energy: 0.44363569041079676 Energy: 0.35709392864633166 Energy: 0.44363569039927997 Energy: 0.35709392864633166 Energy: 0.4436356904157874 Energy: 0.35709392864633166 Energy: 0.4163553161628711 Energy: 0.4117986205379549 Energy: 0.41635543469153774 Energy: 0.411798620691826 Energy: 0.41635531582019464 Energy: 0.4117986228203356 Energy: 0.4362295093003147 Energy: 0.511070287316964 Energy: 0.43624026579131825 Energy: 0.511070286481963 Energy: 0.43623502303445344 Energy: 0.5110702871174099 Energy: 0.4543865056999536 Energy: 0.3548010676521676 Energy: 0.4543865057041764 Energy: 0.35480106765178376 Energy: 0.4543865056980341 Energy: 0.35480106765178376 Energy: 0.40331212139158124 Energy: 0.4637461319897076 Energy: 0.4033121198053024 Energy: 0.46374613199009146 Energy: 0.40331211487751845 Energy: 0.46374613199009146 Energy: 0.5144492582592789 Energy: 0.48861782208065224 Energy: 0.5144499953233984 Energy: 0.4886178220994629 Energy: 0.5144507153065342 Energy: 0.48861782211059585 Energy: 0.5117651695474312 Energy: 0.4067930535411596 Energy: 0.511767049478686 Energy: 0.40679305354154344 Energy: 0.5117659004992487 Energy: 0.4067930535411596 Energy: 0.42245794084755034 Energy: 0.5311907331743948 Energy: 0.4224579404465572 Energy: 0.5311907363761981 Energy: 0.42245794856766394 Energy: 0.5311907331740109 minimum gb energy = 0.35480106765178376 eV minimum distance = 2.51792341761345 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.1502521230181028 Energy: 0.1676227781806465 Energy: 0.08821437932902579 Energy: 0.16762277818050222 Energy: 0.1502521230181028 Energy: 0.16762277818050222 Energy: 0.24110535585115048 Energy: 0.10727945720191334 Energy: 0.24110535585086199 Energy: 0.10727945720303533 Energy: 0.24110535585129475 Energy: 0.10727945720091958 Energy: 0.3074015945166739 Energy: 0.08849466095515912 Energy: 0.3074015945166739 Energy: 0.08849466095530338 Energy: 0.3074015945166739 Energy: 0.08849466095501486 Energy: 0.08821437932902579 Energy: 0.16762277818050222 Energy: 0.08821437932888154 Energy: 0.16762277818050222 Energy: 0.08821437932888154 Energy: 0.16762277818050222 Energy: 0.24110535585115048 Energy: 0.1072794572347558 Energy: 0.24110535585086199 Energy: 0.10727945723137379 Energy: 0.24110535585115048 Energy: 0.1072794572327843 Energy: 0.30740159451681814 Energy: 0.08849466095501486 Energy: 0.30740159451681814 Energy: 0.08849466095501486 Energy: 0.30740159451694643 Energy: 0.08849466095501486 Energy: 0.15025212301824706 Energy: 0.16762277818021373 Energy: 0.08821437932902579 Energy: 0.16762277818021373 Energy: 0.15025212301824706 Energy: 0.16762277818021373 Energy: 0.24110535585086199 Energy: 0.10727945728184765 Energy: 0.2411053558507177 Energy: 0.10727945728072565 Energy: 0.24110535585100623 Energy: 0.10727945728099814 Energy: 0.30740159451709065 Energy: 0.08849466095530338 Energy: 0.30740159451709065 Energy: 0.08849466095530338 Energy: 0.30740159451709065 Energy: 0.08849466095501486 Energy: 0.08821437932902579 Energy: 0.16762277818050222 Energy: 0.08821437932888154 Energy: 0.16762277818035798 Energy: 0.08821437932902579 Energy: 0.16762277818021373 minimum gb energy = 0.08821437932888154 eV minimum distance = 2.78481096401944 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.4752999638676173 Energy: 0.4826740170850524 Energy: 0.4752992997654259 Energy: 0.48267403749588134 Energy: 0.47529996735682556 Energy: 0.482674024669757 Energy: 0.47914745248926727 Energy: 0.48658563048426384 Energy: 0.47914747068929286 Energy: 0.4879724693109081 Energy: 0.47914745190828584 Energy: 0.4865398418449423 Energy: 0.4529740682094239 Energy: 0.45579211566948874 Energy: 0.45297406940807117 Energy: 0.4604887001151513 Energy: 0.45297407854120914 Energy: 0.4666200400375141 Energy: 0.44226725193318045 Energy: 0.47367722654131916 Energy: 0.44226725193191413 Energy: 0.4736772265434296 Energy: 0.44226725193191413 Energy: 0.4736772265552484 Energy: 0.4703044543799718 Energy: 0.5045862764951108 Energy: 0.4703044543799718 Energy: 0.5024308664893178 Energy: 0.470304454380816 Energy: 0.5034646154900265 Energy: 0.4593637596909307 Energy: 0.4880255445106135 Energy: 0.4537729763656094 Energy: 0.48802554596158026 Energy: 0.45335977696367447 Energy: 0.4880254973670191 Energy: 0.4321421171071688 Energy: 0.448802460541937 Energy: 0.4321421169763755 Energy: 0.4488024605448916 Energy: 0.432142117060757 Energy: 0.4488024605512231 Energy: 0.43905257028873906 Energy: 0.4697907228961823 Energy: 0.43905257029422634 Energy: 0.46979122290497644 Energy: 0.4390525702874728 Energy: 0.46978996042268323 Energy: 0.5656938748543684 Energy: 0.5208286141787861 Energy: 0.5656938748543684 Energy: 0.5208286141699412 Energy: 0.5656938748547906 Energy: 0.5208286141792082 Energy: 0.48987601492121746 Energy: 0.4068074408349593 Energy: 0.489876843855154 Energy: 0.40680744083453724 Energy: 0.4898760150469455 Energy: 0.4068074408349593 Energy: 0.4670343596207244 Energy: 0.5664391016220225 Energy: 0.46703435962030226 Energy: 0.5664391016220225 Energy: 0.46703435962030226 Energy: 0.5664391016220225 Energy: 0.5209706174507859 Energy: 0.5363315800572466 Energy: 0.520970617541921 Energy: 0.5363315800559804 Energy: 0.5209706175739813 Energy: 0.5363315800572466 Energy: 0.49013600075107305 Energy: 0.41116917560179894 Energy: 0.49013598473023173 Energy: 0.41116917560179894 Energy: 0.49013655724248817 Energy: 0.41116917560179894 Energy: 0.4091762281161563 Energy: 0.49351029443245087 Energy: 0.40917622810055776 Energy: 0.4935102944780184 Energy: 0.4091762281170005 Energy: 0.49351029467335455 Energy: 0.4349187018655464 Energy: 0.45809604542503723 Energy: 0.43491875305064687 Energy: 0.4581031741126564 Energy: 0.4349187016444622 Energy: 0.45810004935665966 Energy: 0.5020079453799139 Energy: 0.42232877318345596 Energy: 0.5020098254798164 Energy: 0.42232877316110384 Energy: 0.5020077431874385 Energy: 0.4223287731843002 Energy: 0.47981031070666275 Energy: 0.4985214716853734 Energy: 0.479810310768673 Energy: 0.4985214716798861 Energy: 0.47981031119606776 Energy: 0.4985214716798861 Energy: 0.4763222367461243 Energy: 0.5278209026559846 Energy: 0.47632223674485796 Energy: 0.5278209028994207 Energy: 0.47632223674528007 Energy: 0.5278209084589691 Energy: 0.48073276578940627 Energy: 0.46268571517103957 Energy: 0.48073276579193885 Energy: 0.46268571517061746 Energy: 0.4807327658847623 Energy: 0.4626857151790595 Energy: 0.5136913108941072 Energy: 0.5153724141508675 Energy: 0.513691317606294 Energy: 0.5153724141504454 Energy: 0.5136913084609344 Energy: 0.5153724141453803 Energy: 0.491238514725508 Energy: 0.4942895268884117 Energy: 0.49123836496699097 Energy: 0.4942895268841907 Energy: 0.4912384502746475 Energy: 0.49428952689010014 Energy: 0.5208944760926321 Energy: 0.5475009885065691 Energy: 0.5208952774786717 Energy: 0.5475009885065691 Energy: 0.5208945210351316 Energy: 0.5475009885065691 Energy: 0.4671181204055851 Energy: 0.5532673589520342 Energy: 0.46711812040642925 Energy: 0.553267358951612 Energy: 0.4671181204055851 Energy: 0.5532673589524563 Energy: 0.5325789517991564 Energy: 0.4424692952425821 Energy: 0.5325789518008448 Energy: 0.4428697908417744 Energy: 0.5325789517970458 Energy: 0.4424581370845983 Energy: 0.4681184573338334 Energy: 0.5183023573225366 Energy: 0.4677908759229481 Energy: 0.518302357350798 Energy: 0.46771598241537543 Energy: 0.5183023573372909 Energy: 0.44979017970684704 Energy: 0.46012934480365597 Energy: 0.44979017970895746 Energy: 0.4601296156348898 Energy: 0.4497901797072691 Energy: 0.4601294061007047 Energy: 0.5264953984969528 Energy: 0.448600242471611 Energy: 0.5264944165110685 Energy: 0.448600242471611 Energy: 0.5264945100097179 Energy: 0.448600242471611 Energy: 0.43551041043618516 Energy: 0.495276978420182 Energy: 0.43551041042100885 Energy: 0.49527694740247413 Energy: 0.435510410421853 Energy: 0.49527696243984304 Energy: 0.37819773911448246 Energy: 0.5600103305849911 Energy: 0.37819773911406035 Energy: 0.5600103301162496 Energy: 0.37819773911406035 Energy: 0.5600103303883885 Energy: 0.5484801698634006 Energy: 0.46191398017396884 Energy: 0.5484797876532898 Energy: 0.4619139791280448 Energy: 0.5484796014829221 Energy: 0.4619139793908977 Energy: 0.4563379747596247 Energy: 0.47563524666968526 Energy: 0.45633797475920257 Energy: 0.4756352466692632 Energy: 0.45633797475920257 Energy: 0.47563524666673057 Energy: 0.3952778081539204 Energy: 0.48941082451282797 Energy: 0.39527780815434244 Energy: 0.4894155288432978 Energy: 0.3952778081539204 Energy: 0.4894112767877409 Energy: 0.43222057846030704 Energy: 0.40525496753256873 Energy: 0.43222057846199546 Energy: 0.4052549674481873 Energy: 0.4322205784775939 Energy: 0.40525496777602416 minimum gb energy = 0.37819773911406035 eV minimum distance = 2.63509178479575 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.6064794421362522 Energy: 0.5771601059061243 Energy: 0.6064794421440437 Energy: 0.5771601059007113 Energy: 0.6064794421200131 Energy: 0.5771601058965011 Energy: 0.5676920646557962 Energy: 0.5410097226299446 Energy: 0.5676920646600065 Energy: 0.5410097226281403 Energy: 0.5676920646563979 Energy: 0.5410097226269375 Energy: 0.5932027175481166 Energy: 0.5645079395112556 Energy: 0.5932027175415007 Energy: 0.5645079395112556 Energy: 0.5932027175457107 Energy: 0.5645079395064714 Energy: 0.63535155958709 Energy: 0.4668226213850051 Energy: 0.63535155958709 Energy: 0.4668226213850051 Energy: 0.63535155958709 Energy: 0.46682262138440367 Energy: 0.49690000325516587 Energy: 0.4780382128632857 Energy: 0.49690000325516587 Energy: 0.4780382129462577 Energy: 0.49690000325516587 Energy: 0.47803821294685905 Energy: 0.5484672795316052 Energy: 0.5305049428831284 Energy: 0.5484672795334096 Energy: 0.5305049425644998 Energy: 0.5484672795316052 Energy: 0.5305049428783168 Energy: 0.5485149139470351 Energy: 0.4931000327526371 Energy: 0.548514913948238 Energy: 0.4931000327526371 Energy: 0.5485149139458323 Energy: 0.4931000327526371 Energy: 0.541475654052337 Energy: 0.5326198495875699 Energy: 0.5414753098328424 Energy: 0.5326198495905772 Energy: 0.5414750740632689 Energy: 0.5326198495899757 Energy: 0.5516178293196851 Energy: 0.5502996072948894 Energy: 0.5516178293190837 Energy: 0.5502996072948894 Energy: 0.5516178293202865 Energy: 0.5502996072936864 Energy: 0.5401215671482836 Energy: 0.49906503239521216 Energy: 0.5401215670863623 Energy: 0.49906503239521216 Energy: 0.540121567200582 Energy: 0.49906503239521216 Energy: 0.5556887613911089 Energy: 0.4981512711803396 Energy: 0.5556887666916893 Energy: 0.4981512711815425 Energy: 0.5556887854189332 Energy: 0.4981512711791367 Energy: 0.5297104462093124 Energy: 0.5266884602849109 Energy: 0.5297104462105153 Energy: 0.5266895280816122 Energy: 0.5297104462105153 Energy: 0.5266884281580142 Energy: 0.5605003373657605 Energy: 0.4819936146827475 Energy: 0.5605003373657605 Energy: 0.48199361468214613 Energy: 0.5605003373663621 Energy: 0.48199361468214613 Energy: 0.5585711487696138 Energy: 0.5128487161669328 Energy: 0.5585711487864543 Energy: 0.5128487161597155 Energy: 0.5585711487732224 Energy: 0.512848716160317 Energy: 0.6011469489703044 Energy: 0.5005123076662549 Energy: 0.6011469490388144 Energy: 0.5005123077377993 Energy: 0.6011469489721087 Energy: 0.5005123076656535 Energy: 0.5785646083368784 Energy: 0.5427223138136897 Energy: 0.5785646083513131 Energy: 0.5427223138100811 Energy: 0.5785646062622246 Energy: 0.5427223138124869 Energy: 0.537602424430721 Energy: 0.5274072152720192 Energy: 0.5376024244325254 Energy: 0.5274072153159245 Energy: 0.537602424430721 Energy: 0.527407215316526 Energy: 0.6395458744846858 Energy: 0.4829609880511599 Energy: 0.6395458727514882 Energy: 0.48296098796878945 Energy: 0.639545880580594 Energy: 0.48296098805416715 Energy: 0.535248885385035 Energy: 0.5253761550000755 Energy: 0.535248885385035 Energy: 0.5253761549994741 Energy: 0.535248885385035 Energy: 0.5253761550000755 Energy: 0.5010755685353702 Energy: 0.5982929774477258 Energy: 0.5010755685365731 Energy: 0.5982929774495301 Energy: 0.501075568537776 Energy: 0.5982929774513345 Energy: 0.5231338258071562 Energy: 0.47107747727572574 Energy: 0.523133825059288 Energy: 0.4710774773869382 Energy: 0.5231338255979358 Energy: 0.47107747744224376 Energy: 0.5497687762064679 Energy: 0.5422544996199636 Energy: 0.5497687761944391 Energy: 0.5422544996440214 Energy: 0.5497687759287102 Energy: 0.542254499588716 Energy: 0.47826139034016746 Energy: 0.5462665524679605 Energy: 0.4782613903407689 Energy: 0.5462665852140711 Energy: 0.47826139034016746 Energy: 0.5462665823074017 minimum gb energy = 0.46682262138440367 eV minimum distance = 2.56507278374401 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.5623288317386242 Energy: 0.6102510689511229 Energy: 0.5623288317428212 Energy: 0.6102510689511229 Energy: 0.5623288317390057 Energy: 0.6102510689511229 Energy: 0.5432532554914261 Energy: 0.5615811723037023 Energy: 0.5432532554921891 Energy: 0.5615811693972695 Energy: 0.5432532554918077 Energy: 0.5615811716702691 Energy: 0.5509460718254224 Energy: 0.582464159734304 Energy: 0.5509460926950415 Energy: 0.582464159734304 Energy: 0.5509460111043786 Energy: 0.582464159734304 Energy: 0.5411343853833317 Energy: 0.49436258780261516 Energy: 0.541134385382187 Energy: 0.49436258778964265 Energy: 0.5411343853844763 Energy: 0.49436258780414133 Energy: 0.5446825508256796 Energy: 0.604401525242328 Energy: 0.5446825508249166 Energy: 0.604401525250722 Energy: 0.5446825508249166 Energy: 0.6044015252427096 Energy: 0.5772013076151226 Energy: 0.5695115757256215 Energy: 0.5772013076227535 Energy: 0.5695115757313446 Energy: 0.5772013076055839 Energy: 0.569511575452158 Energy: 0.5229615906159564 Energy: 0.5437033247095379 Energy: 0.5229615905873752 Energy: 0.5437033247095379 Energy: 0.5229615906754774 Energy: 0.5437033247091563 Energy: 0.5536127922764665 Energy: 0.5501713678021419 Energy: 0.553612792276085 Energy: 0.5501713678013788 Energy: 0.5536127922764665 Energy: 0.5501713678021419 Energy: 0.5144595520886099 Energy: 0.5822328217830673 Energy: 0.5144595520886099 Energy: 0.582232820486024 Energy: 0.5144595520886099 Energy: 0.5822328211766891 Energy: 0.6828671405008183 Energy: 0.5333796046832681 Energy: 0.682867140501963 Energy: 0.5333796046836148 Energy: 0.6828671405004367 Energy: 0.5333796046836148 Energy: 0.5194866442986357 Energy: 0.5421915323267112 Energy: 0.5194866442978727 Energy: 0.5421915323373945 Energy: 0.5194866442978727 Energy: 0.5421915323267112 Energy: 0.6256099861212439 Energy: 0.5454965694469206 Energy: 0.6256099862535704 Energy: 0.545496572744298 Energy: 0.6256099862165606 Energy: 0.5454965859249967 Energy: 0.5586361954646659 Energy: 0.5993112437058132 Energy: 0.5586509256172096 Energy: 0.5993112437065763 Energy: 0.5586324581549447 Energy: 0.5993112437058132 Energy: 0.5469594802067432 Energy: 0.5944113086494621 Energy: 0.5469594802067432 Energy: 0.5944113086494621 Energy: 0.5469594802063619 Energy: 0.5944113086494621 Energy: 0.5558741818331768 Energy: 0.5664733660427147 Energy: 0.5558741818244014 Energy: 0.5664733660293606 Energy: 0.5558741818278352 Energy: 0.566473365924089 Energy: 0.5394384421800923 Energy: 0.5657100845441162 Energy: 0.5394384425126604 Energy: 0.5657100845536548 Energy: 0.5394384426068325 Energy: 0.5657100845433529 Energy: 0.5477085568876646 Energy: 0.6256654339683071 Energy: 0.5477085568872831 Energy: 0.6256654339686886 Energy: 0.5477085568876646 Energy: 0.6256654340037561 Energy: 0.5833243439996244 Energy: 0.5741911713275282 Energy: 0.5833243375505852 Energy: 0.5741911739201234 Energy: 0.583324292752366 Energy: 0.5741911464958122 Energy: 0.5214585890702613 Energy: 0.589001271003123 Energy: 0.5214585854548147 Energy: 0.5890012709405843 Energy: 0.5214585830555932 Energy: 0.5890012710572675 Energy: 0.5473584380464259 Energy: 0.5952907092526142 Energy: 0.5473584380464259 Energy: 0.5952907092541404 Energy: 0.5473584380464259 Energy: 0.5952907092560481 Energy: 0.5913379277745145 Energy: 0.5734263685765258 Energy: 0.5913379166352871 Energy: 0.5734263685749997 Energy: 0.5913379262230504 Energy: 0.5734263685841567 Energy: 0.5576938045698129 Energy: 0.5087148066207715 Energy: 0.5576939274870214 Energy: 0.5087148066310732 Energy: 0.5576936634308701 Energy: 0.5087148066615967 Energy: 0.4993899983685802 Energy: 0.5282265926226778 Energy: 0.4993899983689618 Energy: 0.5282265926577799 Energy: 0.4993899983685802 Energy: 0.528226592629164 Energy: 0.6052344667532435 Energy: 0.5880072220378801 Energy: 0.6052344667543882 Energy: 0.588007222045511 Energy: 0.6052344667505728 Energy: 0.5880072220470373 Energy: 0.5230162266000346 Energy: 0.5538232119161233 Energy: 0.5230162265966006 Energy: 0.5538232119073476 Energy: 0.5230162265988898 Energy: 0.5538232119157417 Energy: 0.5100965127509737 Energy: 0.5346904287077611 Energy: 0.5100965127513553 Energy: 0.5346904287058533 Energy: 0.5100965127513553 Energy: 0.5346904287054718 Energy: 0.6085085152628333 Energy: 0.5241471746146664 Energy: 0.6085085152727535 Energy: 0.5241471746146664 Energy: 0.6085085152727535 Energy: 0.5241471746139033 Energy: 0.5715395843509467 Energy: 0.59618263521887 Energy: 0.5715395842060291 Energy: 0.59618263521887 Energy: 0.5715395842784879 Energy: 0.5961826352192516 Energy: 0.5489695202087955 Energy: 0.5888558470191172 Energy: 0.5489695202087955 Energy: 0.5888567123017019 Energy: 0.5489695202087955 Energy: 0.5888561138897839 Energy: 0.5331336969626351 Energy: 0.5481486495675605 Energy: 0.5331348293222675 Energy: 0.5481486495679418 Energy: 0.5331336082593577 Energy: 0.5481486495698497 Energy: 0.5864563659479464 Energy: 0.6012846681387829 Energy: 0.5864563659563403 Energy: 0.6012846681384013 Energy: 0.5864563659509987 Energy: 0.6012846681380197 Energy: 0.5565479169968789 Energy: 0.5807007536196144 Energy: 0.5565479169961158 Energy: 0.5807007519716888 Energy: 0.5565479169964974 Energy: 0.58070080703578 Energy: 0.5384468800437796 Energy: 0.6158547405039182 Energy: 0.5384468800395825 Energy: 0.6158547405046813 Energy: 0.5384468800708693 Energy: 0.6158547405039182 Energy: 0.5612314770108213 Energy: 0.5764358719842664 Energy: 0.5612314768037466 Energy: 0.5764358719800694 Energy: 0.5612314769643075 Energy: 0.5764358719800694 Energy: 0.5638847769878228 Energy: 0.5814338221730668 Energy: 0.5638847769878228 Energy: 0.5814338221723037 Energy: 0.5638847769862966 Energy: 0.5814338221730668 Energy: 0.5453218412139478 Energy: 0.5899927799970802 Energy: 0.5453218419812685 Energy: 0.5899927799970802 Energy: 0.5453218419595551 Energy: 0.5899927799970802 Energy: 0.5075881445037858 Energy: 0.6045655593987421 Energy: 0.5075881445056935 Energy: 0.6045655593991237 Energy: 0.5075881444378132 Energy: 0.6045655594002683 minimum gb energy = 0.49436258778964265 eV minimum distance = 2.52006154129586 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.5907391522083871 Energy: 0.5340535249203137 Energy: 0.5907391522063037 Energy: 0.5340535249203137 Energy: 0.5907391522083871 Energy: 0.5340535249203137 Energy: 0.5542461786562232 Energy: 0.5497296183941793 Energy: 0.5542461786562232 Energy: 0.5497296183962628 Energy: 0.5542461786562232 Energy: 0.5497296183910542 Energy: 0.6480776510336885 Energy: 0.5555081368593835 Energy: 0.6480776510336885 Energy: 0.5555081368583418 Energy: 0.6480776510399389 Energy: 0.5555081368593835 Energy: 0.6359324360724932 Energy: 0.6067127426240639 Energy: 0.6359324360797853 Energy: 0.6067127426240639 Energy: 0.6359324361047631 Energy: 0.6067127426240639 Energy: 0.5909962021021729 Energy: 0.5522003141331653 Energy: 0.5909962021021729 Energy: 0.5522004608719229 Energy: 0.5909962021021729 Energy: 0.5522003331175865 Energy: 0.6207374868489369 Energy: 0.584470918920856 Energy: 0.6207374817665179 Energy: 0.5844709189187726 Energy: 0.6207374832034682 Energy: 0.5844709189187726 Energy: 0.6370141255299185 Energy: 0.5840833854838774 Energy: 0.6370141269980972 Energy: 0.5840833854838774 Energy: 0.6370141267190552 Energy: 0.5840833854838774 Energy: 0.60605641090521 Energy: 0.5583334132987815 Energy: 0.6060564110947342 Energy: 0.5583334132987815 Energy: 0.6060564116840939 Energy: 0.5583334132987815 Energy: 0.5405172627109028 Energy: 0.5438530355975647 Energy: 0.5405172640364352 Energy: 0.5438530355954813 Energy: 0.5405172628545907 Energy: 0.5438530355944395 Energy: 0.5609737316182896 Energy: 0.5410414800137805 Energy: 0.5609737315755786 Energy: 0.5410414800148222 Energy: 0.5609737317067894 Energy: 0.5410414800148222 Energy: 0.637352342220905 Energy: 0.5533559958148112 Energy: 0.6373523423135954 Energy: 0.553355995815853 Energy: 0.6373523424323054 Energy: 0.5533559958137695 Energy: 0.6060457305856916 Energy: 0.5496301805831979 Energy: 0.6060457305846498 Energy: 0.5496301805842396 Energy: 0.6060457305846498 Energy: 0.5496301805831979 Energy: 0.5738512731326099 Energy: 0.6174561218013627 Energy: 0.5738512731336516 Energy: 0.6174561218013627 Energy: 0.5738512731336516 Energy: 0.6174561218013627 Energy: 0.5829027069044538 Energy: 0.621682401008134 Energy: 0.5829027069044538 Energy: 0.6216824010070923 Energy: 0.5829027069044538 Energy: 0.6216824010070923 minimum gb energy = 0.5340535249203137 eV minimum distance = 2.48497949968814 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.542822704857896 Energy: 0.6668069980964573 Energy: 0.5428227048569808 Energy: 0.6668069968710065 Energy: 0.5428227048478282 Energy: 0.6668069979381795 Energy: 0.5954950455600088 Energy: 0.5904290334848891 Energy: 0.5954950455600088 Energy: 0.5904290334853466 Energy: 0.5954950455572628 Energy: 0.5904290334848891 Energy: 0.6049322670032051 Energy: 0.5990275846776678 Energy: 0.6049322670690831 Energy: 0.5990275846776678 Energy: 0.6049322669917853 Energy: 0.5990275846776678 Energy: 0.583098616360839 Energy: 0.539620653932 Energy: 0.5830986163599238 Energy: 0.539620653932 Energy: 0.5830986163663098 Energy: 0.539620653932 Energy: 0.6019185112266153 Energy: 0.5830800897845433 Energy: 0.6019185112266153 Energy: 0.5830800897845433 Energy: 0.6019185112266153 Energy: 0.5830800897845433 Energy: 0.584132342334377 Energy: 0.6398352724896406 Energy: 0.5841323405110742 Energy: 0.6398352724896406 Energy: 0.5841323363091547 Energy: 0.6398352724891829 Energy: 0.5455569564840917 Energy: 0.585417183200366 Energy: 0.5455569564831765 Energy: 0.585417183200366 Energy: 0.5455569564827188 Energy: 0.585417183200366 Energy: 0.6345106528073351 Energy: 0.5920421130418198 Energy: 0.6345106528631452 Energy: 0.592042112879881 Energy: 0.6345106528517044 Energy: 0.5920421134992421 Energy: 0.6135797607903929 Energy: 0.5650566984934944 Energy: 0.6135797211955151 Energy: 0.5650566984985284 Energy: 0.6135797608210539 Energy: 0.5650566984939519 Energy: 0.5544372911152191 Energy: 0.5781712233050261 Energy: 0.5544372911143037 Energy: 0.5781712233050261 Energy: 0.5544372910914223 Energy: 0.5781712233050261 Energy: 0.5773089285850554 Energy: 0.5790013107803569 Energy: 0.5773089285745509 Energy: 0.5790013107803569 Energy: 0.5773089285695169 Energy: 0.5790013107766959 Energy: 0.5777174015475325 Energy: 0.6079112447034618 Energy: 0.577717401547075 Energy: 0.6079112447030042 Energy: 0.577717401547075 Energy: 0.6079112447057499 Energy: 0.5727577329621962 Energy: 0.6209100919342657 Energy: 0.5727577329621962 Energy: 0.6209100919342657 Energy: 0.5727577329621962 Energy: 0.6209100919342657 Energy: 0.5925124955691901 Energy: 0.555471080967327 Energy: 0.5925124955746816 Energy: 0.5554710809668694 Energy: 0.5925124955714782 Energy: 0.5554710809686999 Energy: 0.5602421314172572 Energy: 0.5726909185027864 Energy: 0.5602421327195481 Energy: 0.5726906162185067 Energy: 0.5602421394405349 Energy: 0.5726909377005424 Energy: 0.5467927078000687 Energy: 0.5972972414972532 Energy: 0.5467927078018994 Energy: 0.5972972414977108 Energy: 0.5467927078028145 Energy: 0.5972972414963379 Energy: 0.6014066477812147 Energy: 0.5998038255778153 Energy: 0.6014066477816723 Energy: 0.5998038259693804 Energy: 0.6014066477816723 Energy: 0.5998038256020699 Energy: 0.638244451082149 Energy: 0.6136877267336185 Energy: 0.6382444511041152 Energy: 0.6136877267294998 Energy: 0.6382444511041152 Energy: 0.6136877267322455 Energy: 0.5611842391291532 Energy: 0.5673614534621849 Energy: 0.5614724544244992 Energy: 0.5673614534598966 Energy: 0.5614803673957492 Energy: 0.5673614534621849 Energy: 0.5888031118183549 Energy: 0.5538272756917098 Energy: 0.5888031118183549 Energy: 0.5538272756912522 Energy: 0.5888031118178974 Energy: 0.5538272756917098 Energy: 0.5987948994721374 Energy: 0.5971696937463088 Energy: 0.5987948994757984 Energy: 0.5971696937508851 Energy: 0.5987948994721374 Energy: 0.597169693776034 Energy: 0.5600148441577337 Energy: 0.6712939553949318 Energy: 0.5600148443137234 Energy: 0.6712939553963047 Energy: 0.560014844163683 Energy: 0.6712939553889825 Energy: 0.6270845828463851 Energy: 0.5572785950479315 Energy: 0.6270845828477373 Energy: 0.5572785950620973 Energy: 0.6270845828463851 Energy: 0.5572785950168128 Energy: 0.5977792869668768 Energy: 0.5997777737526011 Energy: 0.5977792869636733 Energy: 0.5997778124362952 Energy: 0.597779286964131 Energy: 0.5997777388541125 Energy: 0.552512818638181 Energy: 0.5843919058036705 Energy: 0.5525128189021088 Energy: 0.5843919058032128 Energy: 0.5525128186601265 Energy: 0.5843919058036705 Energy: 0.5428536566268162 Energy: 0.5595451649454036 Energy: 0.5428536566263586 Energy: 0.5595451649412848 Energy: 0.5428536566268162 Energy: 0.5595451649417424 Energy: 0.5700549920482423 Energy: 0.5817771512814967 Energy: 0.5700549920491574 Energy: 0.5817771513075607 Energy: 0.5700549920496152 Energy: 0.5817771513016116 Energy: 0.5642770799114687 Energy: 0.6387843272786392 Energy: 0.5642771157577513 Energy: 0.6387843272795546 Energy: 0.5642772405562075 Energy: 0.6387843272795546 Energy: 0.5796208174531763 Energy: 0.5538588624403847 Energy: 0.5796208174540918 Energy: 0.5538588624385541 Energy: 0.579620817453634 Energy: 0.553858862439927 Energy: 0.6198737038118064 Energy: 0.5997632394250074 Energy: 0.6198737037930645 Energy: 0.5997632394250074 Energy: 0.6198737038195862 Energy: 0.5997632394263803 Energy: 0.556872688206094 Energy: 0.6638220812113388 Energy: 0.556872688206094 Energy: 0.6638220812246101 Energy: 0.556872688206094 Energy: 0.6638220812241524 minimum gb energy = 0.539620653932 eV minimum distance = 2.55662880519567 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.4755934934545591 Energy: 0.4732049022085032 Energy: 0.4755934934504873 Energy: 0.4732049022085032 Energy: 0.4755934934488586 Energy: 0.4732049022085032 Energy: 0.5786977998793423 Energy: 0.568232636191865 Energy: 0.5786977998793423 Energy: 0.568232636191865 Energy: 0.5786977998793423 Energy: 0.568232636191865 Energy: 0.5347084121623084 Energy: 0.5084428940821113 Energy: 0.5347084100589301 Energy: 0.5084428940821113 Energy: 0.5347084132473677 Energy: 0.5084428940821113 Energy: 0.5483048295802648 Energy: 0.626940581164188 Energy: 0.5483048295794504 Energy: 0.6269405811633737 Energy: 0.5483048295802648 Energy: 0.626940581164188 Energy: 0.5727780258694763 Energy: 0.5082227263166448 Energy: 0.5727780258727337 Energy: 0.5082227263158304 Energy: 0.5727780258694763 Energy: 0.5082227263142016 Energy: 0.5816440656252513 Energy: 0.5682694278948726 Energy: 0.5816440656252513 Energy: 0.5682694278948726 Energy: 0.5816440656252513 Energy: 0.5682694278948726 Energy: 0.47559349346675595 Energy: 0.4732049022085032 Energy: 0.47559349347001334 Energy: 0.4732049022085032 Energy: 0.4755934934854862 Energy: 0.4732049022076888 Energy: 0.5786977998785279 Energy: 0.5682326361926795 Energy: 0.5786977998777135 Energy: 0.5682326361926795 Energy: 0.5786977998785279 Energy: 0.5682326361926795 Energy: 0.5347084508621853 Energy: 0.5084428940764292 Energy: 0.5347084491560475 Energy: 0.5084428940756148 Energy: 0.5347084499073678 Energy: 0.5084428940772436 Energy: 0.548304829576193 Energy: 0.6090352972176863 Energy: 0.5483048295770073 Energy: 0.6090352972176863 Energy: 0.548304829576193 Energy: 0.6090352972176863 Energy: 0.5727780257579647 Energy: 0.5082227263133874 Energy: 0.5727780257709759 Energy: 0.5082227263133874 Energy: 0.5727780257498211 Energy: 0.5082227263158304 Energy: 0.5816440656252513 Energy: 0.5682694278948726 Energy: 0.5816440656252513 Energy: 0.5682694278948726 Energy: 0.5816440656252513 Energy: 0.5682694278948726 Energy: 0.4755934936670142 Energy: 0.4732049022085032 Energy: 0.4755934936409547 Energy: 0.4732049022085032 Energy: 0.4755934936735106 Energy: 0.4732049022085032 Energy: 0.5786977998777135 Energy: 0.568232636191865 Energy: 0.5786977998777135 Energy: 0.5682326361926795 Energy: 0.5786977998785279 Energy: 0.568232636191865 Energy: 0.5347084566147063 Energy: 0.5084428940894404 Energy: 0.5347084603639782 Energy: 0.5084428940910691 Energy: 0.5347084597958148 Energy: 0.5084428940902548 Energy: 0.5483048295688637 Energy: 0.5183060541108876 Energy: 0.5483048295696781 Energy: 0.518306054114145 Energy: 0.5483048295704924 Energy: 0.5183060541092588 Energy: 0.5727780257091217 Energy: 0.5082227263166448 Energy: 0.5727780257294621 Energy: 0.5082227263190878 Energy: 0.5727780257042355 Energy: 0.5082227263158304 minimum gb energy = 0.4732049022076888 eV minimum distance = 2.61239011525379 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.5601524848381724 Energy: 0.6010993950786159 Energy: 0.5601524848381724 Energy: 0.60109939508593 Energy: 0.5601524848381724 Energy: 0.6010993950852652 Energy: 0.6312859610820731 Energy: 0.6036037668350254 Energy: 0.6312869891776423 Energy: 0.6036037668350254 Energy: 0.631285927920541 Energy: 0.6036037668343603 Energy: 0.5479608110204633 Energy: 0.5809987376892485 Energy: 0.5479608110197984 Energy: 0.5809987377357628 Energy: 0.5479608110204633 Energy: 0.5809987377005523 Energy: 0.5944141304459247 Energy: 0.6227044636242138 Energy: 0.5944141304459247 Energy: 0.6227044636242138 Energy: 0.5944141304465898 Energy: 0.6227044636255437 Energy: 0.6018996594078401 Energy: 0.6002352550116142 Energy: 0.6018996598106313 Energy: 0.6002352550089546 Energy: 0.6018996593586661 Energy: 0.6002352550116142 Energy: 0.6533575826426482 Energy: 0.6120418363989041 Energy: 0.6533575826426482 Energy: 0.6120418364008989 Energy: 0.6533575826433131 Energy: 0.6120418363995691 Energy: 0.557170413396363 Energy: 0.5985961676223941 Energy: 0.5571704133970279 Energy: 0.5985961676223941 Energy: 0.557170413396363 Energy: 0.5985961676223941 Energy: 0.6323869699440641 Energy: 0.5925727868795688 Energy: 0.6323869689903251 Energy: 0.5925727871214793 Energy: 0.6323869695605859 Energy: 0.592572786572496 Energy: 0.6574231134053603 Energy: 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0.6028508948844226 Energy: 0.6296941047252546 Energy: 0.6028508948844226 Energy: 0.6296941047245895 Energy: 0.614366374273932 Energy: 0.5960328506260039 Energy: 0.6143658909857268 Energy: 0.5960328506260039 Energy: 0.6143663781287835 Energy: 0.5960328506266688 Energy: 0.6529648664462138 Energy: 0.59310691507178 Energy: 0.6529648664455489 Energy: 0.5931069150777645 Energy: 0.6529648664455489 Energy: 0.5931069151003414 Energy: 0.576539874570118 Energy: 0.6210361595449563 Energy: 0.5765398745707829 Energy: 0.6210361595456212 Energy: 0.5765398745707829 Energy: 0.6210361595429615 Energy: 0.5931295579171733 Energy: 0.6129686051271459 Energy: 0.5931295579278119 Energy: 0.6129686051271459 Energy: 0.5931295577669916 Energy: 0.6129686051271459 Energy: 0.6147127932016248 Energy: 0.6851516795107885 Energy: 0.6147127932062791 Energy: 0.6851516795067989 Energy: 0.614712793207609 Energy: 0.6851516795094587 Energy: 0.5676005730512509 Energy: 0.5607165395554023 Energy: 0.5676005730512509 Energy: 0.5607165395554023 Energy: 0.5676005730512509 Energy: 0.5607165395480882 minimum gb energy = 0.5479608110197984 eV minimum distance = 2.57858360010341 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.6685403618949487 Energy: 0.7283153988755493 Energy: 0.6399588327953502 Energy: 0.7283153988755493 Energy: 0.668540358687065 Energy: 0.7283153988755493 Energy: 0.6054438635629312 Energy: 0.6419984589779753 Energy: 0.6054438635612497 Energy: 0.6419984589779753 Energy: 0.6054438635601288 Energy: 0.6419984589785357 Energy: 0.6148397935036081 Energy: 0.5624430641320046 Energy: 0.6148397935030475 Energy: 0.5624430641314441 Energy: 0.6148397935036081 Energy: 0.5624430641320046 Energy: 0.6614575927950334 Energy: 0.7146283754632428 Energy: 0.6614575927972752 Energy: 0.7146283754638031 Energy: 0.6614575927961543 Energy: 0.7146283754632428 Energy: 0.6150543090842375 Energy: 0.5921880266463347 Energy: 0.6150543090859191 Energy: 0.5921880266463347 Energy: 0.6150543090836772 Energy: 0.5921880266463347 Energy: 0.6463408834996816 Energy: 0.7235702759034568 Energy: 0.6463408834980001 Energy: 0.7235749653395565 Energy: 0.646340883500777 Energy: 0.7235746431739412 Energy: 0.5717059678175769 Energy: 0.5855879231984423 Energy: 0.571705967818698 Energy: 0.5855879231984423 Energy: 0.571705967815335 Energy: 0.5855879231973213 Energy: 0.6224749815704762 Energy: 0.6247723968842359 Energy: 0.6224749815699158 Energy: 0.6247724153886719 Energy: 0.6224749815704762 Energy: 0.6247724196996572 Energy: 0.6206099498883503 Energy: 0.6690797881292173 Energy: 0.620382068449073 Energy: 0.6690797898592162 Energy: 0.6206099498883503 Energy: 0.6690797874681309 Energy: 0.7069265837279527 Energy: 0.606162317890278 Energy: 0.7061139283914306 Energy: 0.606162317890278 Energy: 0.7069265837290737 Energy: 0.6061623178897174 Energy: 0.786682693905647 Energy: 0.6487029167314833 Energy: 0.7694964598918447 Energy: 0.6487029167314833 Energy: 0.786682693905647 Energy: 0.6487029167320437 Energy: 0.5809512637402932 Energy: 0.6104262656635315 Energy: 0.5809512637397326 Energy: 0.610426265665213 Energy: 0.5809512637397326 Energy: 0.610426265665213 Energy: 0.5756977939857625 Energy: 0.7181861634187134 Energy: 0.5756977938742779 Energy: 0.7181861634069434 Energy: 0.5756977942076107 Energy: 0.7181861633951733 Energy: 0.5580847093587922 Energy: 0.5570937165056282 Energy: 0.5580847093593526 Energy: 0.5570937165061888 Energy: 0.5580847093582316 Energy: 0.5570937165067492 Energy: 0.6609569058470247 Energy: 0.7361828895628447 Energy: 0.6830098603769154 Energy: 0.736182889442953 Energy: 0.6609569058470247 Energy: 0.7361828889202541 Energy: 0.634167485416701 Energy: 0.586526328777045 Energy: 0.634167485416701 Energy: 0.5865263287753635 Energy: 0.634167485416701 Energy: 0.586526328777045 Energy: 0.6224736476593433 Energy: 0.6025673311906341 Energy: 0.6224736476593433 Energy: 0.602567331191755 Energy: 0.6224736476593433 Energy: 0.602567331191755 Energy: 0.705952919164172 Energy: 0.569291498632569 Energy: 0.7059529191636116 Energy: 0.569291498632569 Energy: 0.705952919164172 Energy: 0.5692914986320085 Energy: 0.5843280906031597 Energy: 0.6504970317048171 Energy: 0.5778626970998452 Energy: 0.6504970317042568 Energy: 0.5843280906031597 Energy: 0.6504970317042568 Energy: 0.6685403541116348 Energy: 0.7283153988749888 Energy: 0.6399587356764161 Energy: 0.7283153988749888 Energy: 0.6685403553581686 Energy: 0.7283153988749888 Energy: 0.6054438635489446 Energy: 0.6419984589746124 Energy: 0.6054438635523075 Energy: 0.6419984589746124 Energy: 0.6054438635506262 Energy: 0.6419984589751728 Energy: 0.614839793502487 Energy: 0.5624430641314441 Energy: 0.6148397935030475 Energy: 0.5624430641314441 Energy: 0.614839793502487 Energy: 0.5624430641314441 Energy: 0.6614575928028801 Energy: 0.7146283754643636 Energy: 0.6614575928000777 Energy: 0.7146283754643636 Energy: 0.6614575928040011 Energy: 0.7146283754643636 Energy: 0.6150543089873255 Energy: 0.5921880266457743 Energy: 0.6150543089940512 Energy: 0.5921880266463347 Energy: 0.6150543089878859 Energy: 0.5921880266463347 Energy: 0.6463408835859447 Energy: 0.7232362330830169 Energy: 0.6463408835837026 Energy: 0.7232360991613657 Energy: 0.6463408835853841 Energy: 0.7232360928189704 minimum gb energy = 0.5570937165056282 eV minimum distance = 2.59291459244519 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.6980122425835366 Energy: 0.586496750693913 Energy: 0.6980122426352815 Energy: 0.586496720927705 Energy: 0.6980122425946642 Energy: 0.5864967810868417 Energy: 0.6470177788686602 Energy: 0.5621800448862662 Energy: 0.6470177788701115 Energy: 0.5621800619655755 Energy: 0.6470177788691439 Energy: 0.5621800627794393 Energy: 0.6260906780503528 Energy: 0.5963358356837126 Energy: 0.6260906780155411 Energy: 0.5963358353534083 Energy: 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0.5277201307563256 Energy: 0.6387444686349117 Energy: 0.6388440725983938 Energy: 0.6387444684487363 Energy: 0.6388440725219753 Energy: 0.6387444685773614 Energy: 0.6388440725248781 Energy: 0.5484133439314496 Energy: 0.6295210695889095 Energy: 0.5484133439304819 Energy: 0.6295210695889095 Energy: 0.5484133439309657 Energy: 0.6295210695889095 Energy: 0.6422935941026108 Energy: 0.6303113913647709 Energy: 0.6422935941030945 Energy: 0.6303113913526759 Energy: 0.6422935941026108 Energy: 0.6303113913526759 Energy: 0.6577682851159518 Energy: 0.6383140428144991 Energy: 0.657768285307933 Energy: 0.6383140428144991 Energy: 0.6577682854031979 Energy: 0.6383140428144991 Energy: 0.6079793470313538 Energy: 0.5803973293213495 Energy: 0.6079793481968092 Energy: 0.5803973293213495 Energy: 0.6079793455331969 Energy: 0.5803973293218333 Energy: 0.6368896330300836 Energy: 0.645946585422665 Energy: 0.6368896330300836 Energy: 0.6459467009843792 Energy: 0.6368896330305674 Energy: 0.6459467436608923 Energy: 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0.649489337265532 Energy: 0.5728482465942378 Energy: 0.5779493438465478 Energy: 0.6478742994476161 Energy: 0.5779493438465478 Energy: 0.6478778793634802 Energy: 0.5779493438499501 Energy: 0.6478811969456147 Energy: 0.49435920308100273 Energy: 0.5642508254293921 Energy: 0.49435920308100273 Energy: 0.5642508254293921 Energy: 0.49435920308100273 Energy: 0.5642508254289669 Energy: 0.7219577453155693 Energy: 0.6842332520736488 Energy: 0.7219577453159947 Energy: 0.6842332520736488 Energy: 0.7219577453155693 Energy: 0.684233252074074 Energy: 0.5817317959830504 Energy: 0.5611839859931862 Energy: 0.5817317959817939 Energy: 0.5611345243984158 Energy: 0.5817317959817939 Energy: 0.5611851147093521 Energy: 0.6602344827062415 Energy: 0.5811457503420769 Energy: 0.6602344827049657 Energy: 0.5811457503403952 Energy: 0.6602344827070921 Energy: 0.5811457503433528 Energy: 0.6240138111324233 Energy: 0.5921641649593044 Energy: 0.6240138111302969 Energy: 0.5923384364235877 Energy: 0.6240138111324233 Energy: 0.5921621793845955 Energy: 0.5661420549402395 Energy: 0.6219268986030896 Energy: 0.5661420549402395 Energy: 0.6219269128357398 Energy: 0.5661420549402395 Energy: 0.6219269112641564 Energy: 0.5869194513964676 Energy: 0.6961738684948481 Energy: 0.586919450925039 Energy: 0.6961738683851825 Energy: 0.5869194509938966 Energy: 0.6961738684689249 Energy: 0.5571302556235969 Energy: 0.5610553150046617 Energy: 0.5571302556303821 Energy: 0.5610553150016847 Energy: 0.5571302556312326 Energy: 0.5610553150016847 Energy: 0.5676925562093529 Energy: 0.573400123865551 Energy: 0.5676925562097782 Energy: 0.5734001238608728 Energy: 0.5676925562093529 Energy: 0.5734001238647004 Energy: 0.695065146007978 Energy: 0.6509283128695063 Energy: 0.6950651460071273 Energy: 0.6509283852298184 Energy: 0.6950651460075526 Energy: 0.650928329101383 minimum gb energy = 0.4892712966187241 eV minimum distance = 2.57870955538626 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.011682955069939275 Energy: 0.4096308924507443 Energy: 0.011682955069939275 Energy: 0.4096308924504106 Energy: 0.011682955069939275 Energy: 0.4096308924510977 Energy: 0.01231631281249222 Energy: 0.8691975418842482 Energy: 0.01231631281249222 Energy: 0.8691975418839146 Energy: 0.01231631281249222 Energy: 0.8691975418839146 Energy: 0.5700175329868098 Energy: 1.0200334537632951 Energy: 0.5700175329864564 Energy: 1.0200334537636484 Energy: 0.5700175329864564 Energy: 1.020033453764689 Energy: 0.01231631281249222 Energy: 0.8691975418835614 Energy: 0.01231631281249222 Energy: 0.8691975418842482 Energy: 0.01231631281249222 Energy: 0.8691975418839146 minimum gb energy = 0.011682955069939275 eV minimum distance = 2.81820837570036 Angstroms sigma value = 1