Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000 a1: a1=[-1, 1, 0] a2: a2=[0, 0, 1] a3: a3=[1, 1, 0] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.614999085664749 cohesive_energy=3.5402517934376156 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=180.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: -2.67105988788208e-05 eV ======================================== theta = 0.0 ======================================== Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.7711243877441141 Energy: 0.01406321307841171 Energy: 0.7711243877444277 Energy: 0.014063213077505729 Energy: 0.7711243877444277 Energy: 0.014063213077505729 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.7711243877441141 Energy: 0.014063213077505729 Energy: 0.7711243877444277 Energy: 0.014063213077505729 Energy: 0.7711243877444277 Energy: 0.014063213077505729 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.013693059357622783 Energy: 0.7711243877444277 Energy: 0.013693059357936391 Energy: 0.7711243877441141 Energy: 0.7711243877441141 Energy: 0.014063213078098099 Energy: 0.7711243877444277 Energy: 0.014063213077505729 Energy: 0.7711243877444277 Energy: 0.014063213077505729 minimum gb energy = 0.013693059357622783 eV minimum distance = 2.55358461310868 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9383628760327614 Energy: 0.881766108562385 Energy: 0.9383628760327614 Energy: 0.881766108562385 Energy: 0.9383628760327614 Energy: 0.881766108562385 Energy: 1.0091966470088567 Energy: 0.8216107076855712 Energy: 1.009196647008102 Energy: 0.8216107076855712 Energy: 1.0091966470073468 Energy: 0.8216107076855712 Energy: 0.8877696772062627 Energy: 0.9277564192963595 Energy: 0.8877696772062627 Energy: 0.9277564192956048 Energy: 0.8877696772062627 Energy: 0.9277564192956048 Energy: 0.9911765444355164 Energy: 0.8618788908156213 Energy: 0.9911765444355164 Energy: 0.8618788908156213 Energy: 0.9911765444362712 Energy: 0.8618788908156213 Energy: 0.8928682226288532 Energy: 0.9379445484522723 Energy: 0.8928682226296081 Energy: 0.9379445484507625 Energy: 0.8928682226296081 Energy: 0.9379445484522723 Energy: 0.9359422638918187 Energy: 0.8386710429093337 Energy: 0.9359422638918187 Energy: 0.8386710429093337 Energy: 0.9359422638910637 Energy: 0.838671042907824 Energy: 0.886788229024429 Energy: 0.9217295723622925 Energy: 0.886788229023674 Energy: 0.9217295723607826 Energy: 0.886788229023674 Energy: 0.9217295723592727 Energy: 0.8621614187606587 Energy: 0.9924923089491977 Energy: 0.8621614187614135 Energy: 0.9924923089491977 Energy: 0.8621614187621685 Energy: 0.9924923089507074 Energy: 0.9538113640676159 Energy: 0.9281920131215616 Energy: 0.9538113640676159 Energy: 0.9281920131215616 Energy: 0.9538113640676159 Energy: 0.9281920131208068 Energy: 0.8117226798179328 Energy: 0.979628911219144 Energy: 0.8117226798179328 Energy: 0.9796289112161244 Energy: 0.8117226798179328 Energy: 0.9796289112176342 Energy: 0.9761095156252944 Energy: 0.8381617228234419 Energy: 0.9761095156230298 Energy: 0.8381617228234419 Energy: 0.9761095156222748 Energy: 0.8381617228234419 Energy: 0.7944615344123813 Energy: 0.9557131543042584 Energy: 0.7944615344123813 Energy: 0.9557131543035033 Energy: 0.7944615344123813 Energy: 0.9557131543035033 Energy: 1.0198662985350029 Energy: 0.7892467585846109 Energy: 1.0198662985365126 Energy: 0.7892467585846109 Energy: 1.0198662985357576 Energy: 0.7892467585838557 Energy: 0.8519871477723966 Energy: 0.8691428515429271 Energy: 0.8519871477716414 Energy: 0.8691428515429271 Energy: 0.8519871477716414 Energy: 0.869142851543682 Energy: 1.0399076408042405 Energy: 0.8221854445972472 Energy: 1.0399076408034853 Energy: 0.8221854445972472 Energy: 1.0399076408012204 Energy: 0.8221854445972472 Energy: 1.039850016905087 Energy: 0.9359193691615202 Energy: 1.039850016905087 Energy: 0.9359193691630299 Energy: 1.039850016905087 Energy: 0.935919369162275 Energy: 0.9123285885551426 Energy: 0.905674726301305 Energy: 0.9123285885551426 Energy: 0.9056747263020598 Energy: 0.9123285885558977 Energy: 0.9056747263020598 Energy: 0.9123707776107648 Energy: 0.8707169274598049 Energy: 0.9123707776122746 Energy: 0.8707169274598049 Energy: 0.9123707776115196 Energy: 0.8707169274605597 Energy: 0.8139514739608023 Energy: 0.8615015542010783 Energy: 0.8139514739608023 Energy: 0.8615015542010783 Energy: 0.8139514739608023 Energy: 0.8615015542010783 Energy: 0.9381496965187395 Energy: 0.8385836766397227 Energy: 0.9381496965187395 Energy: 0.8385836766397227 Energy: 0.9381496965187395 Energy: 0.8385836766397227 Energy: 0.8315165239878705 Energy: 0.9886592025215459 Energy: 0.8315165239878705 Energy: 0.9886592025200363 Energy: 0.8315165239878705 Energy: 0.9886592025238107 Energy: 0.9401266597353845 Energy: 0.9234620634062642 Energy: 0.9401266597346296 Energy: 0.9234620634055095 Energy: 0.9401266597353845 Energy: 0.9234620634062642 Energy: 0.7813751191717349 Energy: 0.9934912379997518 Energy: 0.7813751191717349 Energy: 0.9934912380005068 Energy: 0.7813751191717349 Energy: 0.9934912379997518 minimum gb energy = 0.7813751191717349 eV minimum distance = 2.29953447644012 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 1.0706875079192342 Energy: 0.986942702613308 Energy: 0.9916519670353343 Energy: 0.9869427026128783 Energy: 1.0706875079192342 Energy: 0.986942702612449 Energy: 1.029691020825336 Energy: 0.8699983742580776 Energy: 1.0296910208249068 Energy: 0.8699983742580776 Energy: 1.0296910208257655 Energy: 0.8699983742580776 Energy: 0.8765593863314561 Energy: 0.777606306123266 Energy: 0.8765593863314561 Energy: 0.7776063061211191 Energy: 0.8765593863314561 Energy: 0.7776063061202603 Energy: 0.8684445908378035 Energy: 0.7799743496252551 Energy: 0.868444590893584 Energy: 0.779974349953146 Energy: 0.8684445909403865 Energy: 0.779974350435575 Energy: 0.9585128288007575 Energy: 0.7897380951768719 Energy: 0.9585128288011868 Energy: 0.7897380951468151 Energy: 0.9585128288007575 Energy: 0.7897380950966166 Energy: 0.8571041835598233 Energy: 0.8766674166558331 Energy: 0.857104183564117 Energy: 0.8765479105340712 Energy: 0.857104183559394 Energy: 0.8766674166558331 Energy: 0.9944238367473223 Energy: 0.9782083622167907 Energy: 0.9944238367473223 Energy: 0.8501331020493691 Energy: 0.9944238367477516 Energy: 0.9782083622163614 Energy: 0.7941449184342415 Energy: 0.8824101645095771 Energy: 0.7941449184346709 Energy: 0.8824101640216054 Energy: 0.7941449184346709 Energy: 0.8824101633619592 Energy: 0.833920580032134 Energy: 0.8792463090194346 Energy: 0.8339205800312753 Energy: 0.8792463090194346 Energy: 0.8339205800312753 Energy: 0.8792463090194346 Energy: 0.8597977551865669 Energy: 0.8932756141456779 Energy: 0.8597960372203942 Energy: 0.8932756115451911 Energy: 0.8597977551865669 Energy: 0.8932756077133962 Energy: 0.9458821344453061 Energy: 0.86052643091029 Energy: 0.9458821344568993 Energy: 0.86052643091029 Energy: 0.9458821344624423 Energy: 0.86052643091029 Energy: 0.8768589642865838 Energy: 0.910636027537147 Energy: 0.8767055742678789 Energy: 0.910636027535859 Energy: 0.8768589642861545 Energy: 0.9106360275375764 Energy: 0.9625838265696272 Energy: 0.8593497285284875 Energy: 0.8514164338489015 Energy: 0.8593497285289168 Energy: 0.9625838266117065 Energy: 0.8593497285284875 Energy: 1.0264407874344548 Energy: 0.8526328299142429 Energy: 1.026441188112706 Energy: 0.8861298541593794 Energy: 1.0264407874344548 Energy: 0.8526328302116476 Energy: 0.9694376140329397 Energy: 0.8703318030847864 Energy: 0.9694376140325104 Energy: 0.8703318030847864 Energy: 0.9694376140342279 Energy: 0.8703318030856452 Energy: 0.8768096127173761 Energy: 0.7962193445037303 Energy: 0.8768096127178054 Energy: 0.7962193445075948 Energy: 0.8768096127178054 Energy: 0.7962193445161825 Energy: 0.8505874745941849 Energy: 0.9515891464483719 Energy: 0.8505874743418262 Energy: 0.9515891464483719 Energy: 0.850587474355137 Energy: 0.9515891464479426 Energy: 0.9582465754587532 Energy: 0.8762504818808505 Energy: 0.9582465754574652 Energy: 0.8763028786570062 Energy: 0.9582465754583239 Energy: 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0.8626943543874311 Energy: 0.9581371630786819 Energy: 0.8627247614459268 Energy: 0.9581371630782526 Energy: 0.8710105262212215 Energy: 0.8571450603362916 Energy: 0.8748337392451321 Energy: 0.8571450603384385 Energy: 0.8710105262203629 Energy: 0.8571450603392973 Energy: 1.0266902270841733 Energy: 0.9889047111874607 Energy: 1.0266908557835017 Energy: 0.9855968089454741 Energy: 1.0266902270841733 Energy: 0.9889047111874607 Energy: 0.831112652113646 Energy: 0.8180270303378951 Energy: 0.8311126517660038 Energy: 0.8180344505209556 Energy: 0.8311126514977578 Energy: 0.8180270303378951 Energy: 0.8768004738544726 Energy: 0.8313727377248963 Energy: 0.8768004738544726 Energy: 0.831372737725755 Energy: 0.8768004738549021 Energy: 0.8313727377253257 minimum gb energy = 0.7776063061202603 eV minimum distance = 2.40182709634542 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.917756547467044 Energy: 0.9286718333216676 Energy: 0.917756547467044 Energy: 0.9286718333216676 Energy: 0.917756547467044 Energy: 0.9286718333216676 Energy: 0.9810337025486967 Energy: 0.8716867093801435 Energy: 0.9810337025496916 Energy: 0.8716867093801435 Energy: 0.9810337025486967 Energy: 0.8716867093801435 Energy: 0.8453616065947459 Energy: 0.921490979221853 Energy: 0.8453616065937511 Energy: 0.921490979221853 Energy: 0.8453616065937511 Energy: 0.9214909792238427 Energy: 0.9104502169640106 Energy: 0.803511793097637 Energy: 0.9104502169630159 Energy: 0.803511793097637 Energy: 0.9104502169630159 Energy: 0.803511793097637 Energy: 0.9291792847497532 Energy: 0.8888644362743959 Energy: 0.9291792847497532 Energy: 0.8888644362743959 Energy: 0.9291792847497532 Energy: 0.888864436273401 Energy: 0.9278909521563328 Energy: 0.8888108686136262 Energy: 0.9278909521573276 Energy: 0.8888108686136262 Energy: 0.9278909521573276 Energy: 0.8888108686136262 Energy: 0.8769767251148329 Energy: 0.8890211462763972 Energy: 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0.8701113287476562 Energy: 0.978228683370732 Energy: 0.870111328748651 Energy: 0.8777910197519201 Energy: 0.8573966906995544 Energy: 0.8777910197519201 Energy: 0.8573966906995544 Energy: 0.877791019752915 Energy: 0.8573966906995544 Energy: 0.9106049147767541 Energy: 0.9212593379358829 Energy: 0.9106049147767541 Energy: 0.9212593379358829 Energy: 0.9106049147767541 Energy: 0.921259337934888 Energy: 0.927184878813869 Energy: 0.8888332482046267 Energy: 0.927184878813869 Energy: 0.8888332482046267 Energy: 0.927184878813869 Energy: 0.8888332482046267 Energy: 0.9285576344223644 Energy: 0.9651822011122801 Energy: 0.9285576344213695 Energy: 0.9651822011112855 Energy: 0.9285576344213695 Energy: 0.9651822011132751 Energy: 0.9089448281479628 Energy: 0.8930225416457346 Energy: 0.9089448281479628 Energy: 0.8930225416457346 Energy: 0.9089448281489577 Energy: 0.8930225416457346 minimum gb energy = 0.799571188615122 eV minimum distance = 2.29547237510519 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7613889955708423 Energy: 0.7705397709511428 Energy: 0.7613889955714324 Energy: 0.7705397709511428 Energy: 0.7613889955708423 Energy: 0.7705397709511428 Energy: 0.8438448177011255 Energy: 0.9216405137386394 Energy: 0.8438448177005354 Energy: 0.9216405137386394 Energy: 0.8438448177017158 Energy: 0.9216405137386394 Energy: 0.7279994697727488 Energy: 0.9194655732443878 Energy: 0.7279994697727488 Energy: 0.9194655732449779 Energy: 0.7279994697727488 Energy: 0.9194655732432074 Energy: 0.7977387347442685 Energy: 0.7280131713837862 Energy: 0.7977387347436784 Energy: 0.7280131713837862 Energy: 0.7977387347442685 Energy: 0.7280131713837862 Energy: 0.749487493156557 Energy: 0.7589196214718419 Energy: 0.749487493156557 Energy: 0.7589196214718419 Energy: 0.749487493156557 Energy: 0.7589196214718419 Energy: 0.7494783684328167 Energy: 0.7588027017983299 Energy: 0.7494783684328167 Energy: 0.7588027017983299 Energy: 0.7494783684328167 Energy: 0.7588027017977398 Energy: 0.7974977193315669 Energy: 0.7280865162741678 Energy: 0.7974977193315669 Energy: 0.7280865162741678 Energy: 0.7974977193315669 Energy: 0.7280865162741678 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.8436930063393596 Energy: 0.9214647985004489 Energy: 0.8436930063387964 Energy: 0.9214647984998589 Energy: 0.8436930063376161 Energy: 0.9214647984998589 Energy: 0.7613889955714324 Energy: 0.7705397709511428 Energy: 0.7613889955708423 Energy: 0.7705397709511428 Energy: 0.7613889955714324 Energy: 0.7705397709511428 Energy: 0.8438448177017158 Energy: 0.9216405137386394 Energy: 0.8438448176999453 Energy: 0.9216405137386394 Energy: 0.8438448177005354 Energy: 0.9216405137380491 Energy: 0.7279994697727488 Energy: 0.9194655732437975 Energy: 0.7279994697727488 Energy: 0.9194655732449779 Energy: 0.7279994697727488 Energy: 0.9194655732420273 Energy: 0.7977387347442685 Energy: 0.7280131713837862 Energy: 0.7977387347442685 Energy: 0.7280131713837862 Energy: 0.7977387347442685 Energy: 0.7280131713837862 Energy: 0.749487493156557 Energy: 0.7589196214712517 Energy: 0.749487493156557 Energy: 0.7589196214712517 Energy: 0.749487493156557 Energy: 0.7589196214718419 Energy: 0.7494783684328167 Energy: 0.7588027017983299 Energy: 0.7494783684328167 Energy: 0.7588027017977398 Energy: 0.7494783684328167 Energy: 0.7588027017977398 Energy: 0.7974977193315669 Energy: 0.728086516274758 Energy: 0.7974977193315669 Energy: 0.7280865162741678 Energy: 0.7974977193315669 Energy: 0.728086516274758 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.84369300634054 Energy: 0.9214647984998589 Energy: 0.8436930063387964 Energy: 0.9214647984998589 Energy: 0.8436930063399498 Energy: 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0.7974977193315669 Energy: 0.7280865162741678 Energy: 0.7974977193315669 Energy: 0.728086516274758 Energy: 0.7974977193315669 Energy: 0.7280865162741678 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.7279636370796457 Energy: 0.9193833291854207 Energy: 0.8436930063387964 Energy: 0.9214647985004489 Energy: 0.8436930063382062 Energy: 0.9214647985004489 Energy: 0.84369300634054 Energy: 0.9214647985004489 Energy: 0.7613889955714324 Energy: 0.7705397709511428 Energy: 0.7613889955708423 Energy: 0.7705397709511428 Energy: 0.7613889955708423 Energy: 0.7705397709511428 Energy: 0.8438448176999453 Energy: 0.9216405137380491 Energy: 0.8438448177011255 Energy: 0.9216405137380491 Energy: 0.8438448177017158 Energy: 0.9216405137386394 Energy: 0.7279994697733388 Energy: 0.9194655732443878 Energy: 0.7279994697727488 Energy: 0.9194655732437975 Energy: 0.7279994697727488 Energy: 0.9194655732432074 minimum gb energy = 0.7279636370796457 eV minimum distance = 2.31075374111556 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7527152336604991 Energy: 0.7293614086510416 Energy: 0.7527152336604991 Energy: 0.7293614086510416 Energy: 0.7527152336604991 Energy: 0.7293614086510416 Energy: 0.8635021889594441 Energy: 0.7582516921529979 Energy: 0.8635021889594441 Energy: 0.7582516921529979 Energy: 0.8635021889594441 Energy: 0.7582516921529979 Energy: 0.7557064960946759 Energy: 0.8382913659055862 Energy: 0.7557064960946759 Energy: 0.8382913659055862 Energy: 0.7557064960932304 Energy: 0.8382913659055862 Energy: 0.8441002452410342 Energy: 0.7085968469987893 Energy: 0.8441002452410342 Energy: 0.7085968469987893 Energy: 0.8441002452410342 Energy: 0.7085968469973438 Energy: 0.8420920804673703 Energy: 0.708609610101866 Energy: 0.8420920804673703 Energy: 0.708609610101866 Energy: 0.8420920804673703 Energy: 0.708609610101866 Energy: 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Energy: 0.37007603365468467 Energy: 0.40697758141723117 Energy: 0.3700760336537601 Energy: 0.40697758141723117 Energy: 0.3700760336537601 Energy: 0.40697758141723117 Energy: 0.4161951738720841 Energy: 0.3333247500813055 Energy: 0.4161951738720841 Energy: 0.3333247500822301 Energy: 0.4161951738720841 Energy: 0.33332475007853185 Energy: 0.3322046737086498 Energy: 0.33963492105819054 Energy: 0.3322046737086498 Energy: 0.33963492105819054 Energy: 0.3322046737086498 Energy: 0.3396349210591151 Energy: 0.4126195935769636 Energy: 0.3330862355621141 Energy: 0.4126195935778882 Energy: 0.3330862355621141 Energy: 0.4126195935769636 Energy: 0.33308623556118955 Energy: 0.37009751752995873 Energy: 0.4069917220363042 Energy: 0.37009751752995873 Energy: 0.4069917220372287 Energy: 0.37009751752995873 Energy: 0.4069917220372287 Energy: 0.341782559933512 Energy: 0.33204236142722693 Energy: 0.341782559933512 Energy: 0.3320423614281514 Energy: 0.341782559933512 Energy: 0.33204236142722693 Energy: 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======================================== Energy: 0.839573996894489 Energy: 0.7732564718061209 Energy: 0.8395739968948606 Energy: 0.7732564718061209 Energy: 0.839573996894489 Energy: 0.7732564718064306 Energy: 0.7628009872742807 Energy: 0.7260777686456185 Energy: 0.7628009872708735 Energy: 0.72607776864599 Energy: 0.7628009872729178 Energy: 0.72607776864599 Energy: 0.7369379677938068 Energy: 0.814858003900769 Energy: 0.7369379677938068 Energy: 0.8148580039004593 Energy: 0.7369379677938068 Energy: 0.8148580039011406 Energy: 0.7912692581028979 Energy: 0.749884401715863 Energy: 0.7912692581019068 Energy: 0.7498844017165445 Energy: 0.7912692581028979 Energy: 0.7498844017165445 Energy: 0.7751883676347757 Energy: 0.7837795020340104 Energy: 0.7751883676347757 Energy: 0.7837795020374175 Energy: 0.7751883676351474 Energy: 0.7837795020371077 Energy: 0.7401880309137072 Energy: 0.7461391613928063 Energy: 0.7401880309164329 Energy: 0.7461391613924967 Energy: 0.7401880309168046 Energy: 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2.36692208744813 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.8117500584648215 Energy: 0.7018804867592028 Energy: 0.8117500584655651 Energy: 0.7018804867592028 Energy: 0.8117500584648215 Energy: 0.7018804867592028 Energy: 0.7540399782521539 Energy: 0.6811098091760445 Energy: 0.7540399782514102 Energy: 0.6811098091767881 Energy: 0.7540399782514102 Energy: 0.6811098091767881 Energy: 0.7653879260384981 Energy: 0.8482177500746524 Energy: 0.7653879260407294 Energy: 0.8482177500746524 Energy: 0.7653879260407294 Energy: 0.848217750073165 Energy: 0.762295422744673 Energy: 0.7857199334662525 Energy: 0.762295422744673 Energy: 0.7857199334669961 Energy: 0.762295422744673 Energy: 0.7857199334669961 Energy: 0.725035081127716 Energy: 0.786794586331792 Energy: 0.725035081127716 Energy: 0.7867945863310484 Energy: 0.725035081127716 Energy: 0.786794586331792 Energy: 0.7598893720968998 Energy: 0.7568648697921365 Energy: 0.7598893720998746 Energy: 0.7568648697921365 Energy: 0.7598893721400012 Energy: 0.7568648697921365 Energy: 0.7677881263892642 Energy: 0.8341129057755755 Energy: 0.7677881263892642 Energy: 0.8341129057755755 Energy: 0.7677881263892642 Energy: 0.8341129057763192 Energy: 0.7635931379903124 Energy: 0.6888383048173261 Energy: 0.7635931379895686 Energy: 0.6888383048173261 Energy: 0.7635931379895686 Energy: 0.6888383048173261 Energy: 0.7328803740376431 Energy: 0.6829639540714176 Energy: 0.7328803740376431 Energy: 0.6829639540714176 Energy: 0.7328803740383868 Energy: 0.6829639540714176 Energy: 0.663700656419122 Energy: 0.7568837359985849 Energy: 0.663700656419122 Energy: 0.7568837359985849 Energy: 0.663700656419122 Energy: 0.7568837359985849 Energy: 0.767702540889725 Energy: 0.7878479908348607 Energy: 0.767702540889725 Energy: 0.7878479908348607 Energy: 0.767702540889725 Energy: 0.7878479908356043 Energy: 0.7282369305212275 Energy: 0.8032548476294463 Energy: 0.7282369305219712 Energy: 0.8032548476287027 Energy: 0.7282369305212275 Energy: 0.8032548476287027 Energy: 0.7329987621343761 Energy: 0.6828008315420168 Energy: 0.7329987621343761 Energy: 0.682800831541273 Energy: 0.7329987621343761 Energy: 0.682800831541273 Energy: 0.7680187446194243 Energy: 0.6843886589783972 Energy: 0.7680187446209117 Energy: 0.6843886589776534 Energy: 0.7680187446194243 Energy: 0.6843886589783972 Energy: 0.737291784829942 Energy: 0.6822267590785304 Energy: 0.7372917848306857 Energy: 0.6822267590785304 Energy: 0.737291784829942 Energy: 0.6822267590785304 Energy: 0.7368136907131786 Energy: 0.6853812232453049 Energy: 0.7368136907131786 Energy: 0.6853812232453049 Energy: 0.7368136907131786 Energy: 0.6853812232453049 Energy: 0.6649109567354863 Energy: 0.7533678720397954 Energy: 0.6649109567354863 Energy: 0.7533678720397954 Energy: 0.6649109567347425 Energy: 0.7533678720397954 Energy: 0.765338725532248 Energy: 0.7655370155029981 Energy: 0.765338725532248 Energy: 0.7655370155029981 Energy: 0.7653387255315043 Energy: 0.7655370155037419 Energy: 0.6645612601483116 Energy: 0.753389250736004 Energy: 0.6645612601497991 Energy: 0.753389250736004 Energy: 0.6645612601497991 Energy: 0.753389250736004 Energy: 0.7369193053060238 Energy: 0.6855624596218056 Energy: 0.7369193053067674 Energy: 0.6855624596225494 Energy: 0.7369193053067674 Energy: 0.6855624596225494 Energy: 0.7373186547858691 Energy: 0.6821046267609381 Energy: 0.7373186547843816 Energy: 0.6821046267609381 Energy: 0.7373186547828942 Energy: 0.6821046267609381 Energy: 0.7662598599313927 Energy: 0.7678854831128751 Energy: 0.7662598599239556 Energy: 0.7678854831136189 Energy: 0.7662598599291616 Energy: 0.7678854831136189 Energy: 0.7332906078737621 Energy: 0.6828381983565186 Energy: 0.7332906078692999 Energy: 0.6828381983565186 Energy: 0.7332906078707873 Energy: 0.6828381983565186 Energy: 0.7282909280392796 Energy: 0.8031891326083667 Energy: 0.7282909280392796 Energy: 0.8031891326091104 Energy: 0.7282909280385359 Energy: 0.803189132610564 minimum gb energy = 0.663700656419122 eV minimum distance = 2.3853684737313 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.7733533236492444 Energy: 0.6947236805507577 Energy: 0.7733533236481925 Energy: 0.6947236805507577 Energy: 0.7733533236481925 Energy: 0.6947236805507577 Energy: 0.6740327912114171 Energy: 0.6661691014197005 Energy: 0.6740327912114171 Energy: 0.6661691014197005 Energy: 0.6740327912114171 Energy: 0.6661691014197005 Energy: 0.7338425583605146 Energy: 0.7940285517793236 Energy: 0.7338425583615663 Energy: 0.7940285517793236 Energy: 0.7338425583626181 Energy: 0.7940285517793236 Energy: 0.6465533896254433 Energy: 0.7703840446544574 Energy: 0.6465533896243916 Energy: 0.7703840446544574 Energy: 0.6465533896243916 Energy: 0.7703840446555091 Energy: 0.7135199532543982 Energy: 0.7404786645189206 Energy: 0.71351995325545 Energy: 0.7404786645189206 Energy: 0.7135199532543982 Energy: 0.7404786645189206 Energy: 0.7052099233882835 Energy: 0.7639631555018727 Energy: 0.7052099233882835 Energy: 0.7639631555018727 Energy: 0.7052099233882835 Energy: 0.7639631555018727 Energy: 0.7594056469969223 Energy: 0.6639452725101348 Energy: 0.7594056469969223 Energy: 0.6639452725101348 Energy: 0.7594056469969223 Energy: 0.6639452725101348 Energy: 0.6476544545275068 Energy: 0.7551445839286545 Energy: 0.6476544545275068 Energy: 0.7551445839286545 Energy: 0.6476544545275068 Energy: 0.7551445839286545 Energy: 0.7406219965653674 Energy: 0.6664217362646888 Energy: 0.7406219965653674 Energy: 0.6664217362646888 Energy: 0.7406219965653674 Energy: 0.6664217362657405 Energy: 0.7154865238730671 Energy: 0.6705643439996025 Energy: 0.7154865238720154 Energy: 0.6705643439996025 Energy: 0.7154865238720154 Energy: 0.6705643439996025 Energy: 0.705528234141612 Energy: 0.6801626814899495 Energy: 0.705528234141612 Energy: 0.6801626814899495 Energy: 0.705528234141612 Energy: 0.6801626814899495 Energy: 0.7054847419141901 Energy: 0.6666843438327894 Energy: 0.7054847419131383 Energy: 0.6666843438327894 Energy: 0.7054847419141901 Energy: 0.6666843438327894 Energy: 0.6255059706509513 Energy: 0.7667120601036849 Energy: 0.6255059706509513 Energy: 0.7667120601036849 Energy: 0.6255059706509513 Energy: 0.7667120601036849 Energy: 0.7156518481118689 Energy: 0.7495639452050686 Energy: 0.7156518481118689 Energy: 0.7495639452050686 Energy: 0.7156518481118689 Energy: 0.7495639452050686 Energy: 0.7051822760469236 Energy: 0.6533490554000907 Energy: 0.7051822760469236 Energy: 0.6533490554011424 Energy: 0.7051822760490272 Energy: 0.653349055399039 Energy: 0.7049936258350604 Energy: 0.7687738196859962 Energy: 0.7049936258350604 Energy: 0.7687738196859962 Energy: 0.7049936258361122 Energy: 0.7687738196859962 Energy: 0.7139308259017971 Energy: 0.7488218238030105 Energy: 0.7139308259017971 Energy: 0.7488218238030105 Energy: 0.7139308259017971 Energy: 0.7488218238030105 minimum gb energy = 0.6255059706509513 eV minimum distance = 2.3434340806737 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.7040871372786923 Energy: 0.6306247964334784 Energy: 0.7040871372790984 Energy: 0.6306247964338846 Energy: 0.7040871372790984 Energy: 0.6306247964334784 Energy: 0.642831504267828 Energy: 0.6161270605549429 Energy: 0.6428315042682341 Energy: 0.6161270605537245 Energy: 0.6428315042686403 Energy: 0.6161270605549429 Energy: 0.7048410705912489 Energy: 0.6692884583039873 Energy: 0.7048410705916551 Energy: 0.6692884583043934 Energy: 0.7048410705912489 Energy: 0.6692884583043934 Energy: 0.5921124859687301 Energy: 0.6881678183013671 Energy: 0.5921124859691362 Energy: 0.6881678183017732 Energy: 0.5921124859687301 Energy: 0.6881678183021794 Energy: 0.6416417642202684 Energy: 0.6101016072734649 Energy: 0.6416417642283914 Energy: 0.610101607273871 Energy: 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0.676631956667349 Energy: 0.6670888663795439 Energy: 0.6766319566669429 Energy: 0.6670888663791377 Energy: 0.6766319566677551 Energy: 0.6670888663779192 Energy: 0.6509110737082487 Energy: 0.6693310713826088 Energy: 0.6509110737086549 Energy: 0.6693310713826088 Energy: 0.6509110737082487 Energy: 0.6693310713850457 Energy: 0.6539748225366729 Energy: 0.6377365101773848 Energy: 0.6539748225362667 Energy: 0.6377365101769786 Energy: 0.6539748225358606 Energy: 0.6377365101773848 Energy: 0.6508886637084702 Energy: 0.6693094067530944 Energy: 0.6508886637076579 Energy: 0.6693094067526881 Energy: 0.6508886637064394 Energy: 0.6693094067526881 Energy: 0.6766903475429595 Energy: 0.6667861450122284 Energy: 0.6766903475437718 Energy: 0.6667861450114162 Energy: 0.6766903475433657 Energy: 0.6667861450110101 Energy: 0.654341552298764 Energy: 0.6619119090580103 Energy: 0.654341552298764 Energy: 0.6619119090576042 Energy: 0.6543415522991701 Energy: 0.6619119090576042 Energy: 0.5910201236242058 Energy: 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0.640744110218908 Energy: 0.67327567827652 Energy: 0.6407441102180956 Energy: 0.6732756782753014 Energy: 0.6577372056068747 Energy: 0.6774350138662363 Energy: 0.6577372056080931 Energy: 0.6774350138613624 Energy: 0.6577372056068747 Energy: 0.6774350138670485 Energy: 0.6504294640054217 Energy: 0.7131811557397747 Energy: 0.6504294640082647 Energy: 0.7131811557405869 Energy: 0.6504294640074524 Energy: 0.71318115573815 Energy: 0.6419715053860753 Energy: 0.6406043726700652 Energy: 0.6419715053868874 Energy: 0.6406043726680345 Energy: 0.6419715053860753 Energy: 0.6406043726700652 Energy: 0.670910536869554 Energy: 0.6248436701413314 Energy: 0.6709105368699602 Energy: 0.6248436701409251 Energy: 0.6709105368699602 Energy: 0.6248436701409251 Energy: 0.6412161299487699 Energy: 0.6101275555573562 Energy: 0.6412161299471453 Energy: 0.6101275555577623 Energy: 0.6412161299491761 Energy: 0.6101275555581686 Energy: 0.5919934972267147 Energy: 0.6626822163324397 Energy: 0.5919934972271208 Energy: 0.6626822163316274 Energy: 0.5919934972271208 Energy: 0.6626822163312213 Energy: 0.7050371797689905 Energy: 0.6693533212989933 Energy: 0.7050371797693966 Energy: 0.6693533212989933 Energy: 0.7050371797689905 Energy: 0.6693533212989933 Energy: 0.6423313560108983 Energy: 0.6164418765181088 Energy: 0.6423313560104922 Energy: 0.6164418765181088 Energy: 0.6423313560108983 Energy: 0.6164418765181088 Energy: 0.70408713727788 Energy: 0.6306247964342907 Energy: 0.70408713727788 Energy: 0.6306247964342907 Energy: 0.7040871372774739 Energy: 0.6306247964342907 Energy: 0.6428315042674217 Energy: 0.6096589311456695 Energy: 0.6428315042670156 Energy: 0.6096589311452634 Energy: 0.642831504267828 Energy: 0.6096589311452634 Energy: 0.7048410705908429 Energy: 0.6692884583043934 Energy: 0.7048410705912489 Energy: 0.6692884583043934 Energy: 0.7048410705912489 Energy: 0.6692884583039873 Energy: 0.5921124859687301 Energy: 0.688167818300961 Energy: 0.5921124859687301 Energy: 0.6881678183013671 Energy: 0.5921124859687301 Energy: 0.6881678183013671 Energy: 0.6416417642361084 Energy: 0.6101016072734649 Energy: 0.6416417642393577 Energy: 0.610101607273871 Energy: 0.6416417642507299 Energy: 0.6101016072734649 minimum gb energy = 0.5780628692717497 eV minimum distance = 2.37650807279195 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6474012660806073 Energy: 0.5853235319470297 Energy: 0.6474012660825913 Energy: 0.5853235319470297 Energy: 0.6474012660819298 Energy: 0.5853235319470297 Energy: 0.6860538644181005 Energy: 0.5768153366770418 Energy: 0.6860538644181005 Energy: 0.5768153366770418 Energy: 0.6860538644181005 Energy: 0.5768153366770418 Energy: 0.6260558551345285 Energy: 0.6237647340772631 Energy: 0.6260558551365124 Energy: 0.6237647340772631 Energy: 0.6260558551345285 Energy: 0.6237647340772631 Energy: 0.5599502413752702 Energy: 0.6388402616884501 Energy: 0.5599502413752702 Energy: 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0.5840512184991712 Energy: 0.6084838262689628 Energy: 0.6636952050225159 Energy: 0.6084838262689628 Energy: 0.6636952050225159 Energy: 0.6084838262683016 Energy: 0.6636952050225159 Energy: 0.6244900312686444 Energy: 0.6403539055204126 Energy: 0.6244900312686444 Energy: 0.6403539055217353 Energy: 0.624490031269967 Energy: 0.6403539055210739 Energy: 0.5674399624066893 Energy: 0.6941680593158126 Energy: 0.567439962406028 Energy: 0.6941680593158126 Energy: 0.5674399624066893 Energy: 0.6941680593158126 Energy: 0.5600273465527966 Energy: 0.6329894496181574 Energy: 0.5600273465521353 Energy: 0.6329894496174961 Energy: 0.5600273465514741 Energy: 0.6329894496174961 Energy: 0.6205169032032299 Energy: 0.6176315781983499 Energy: 0.6205169032019073 Energy: 0.6176315781983499 Energy: 0.6205169032032299 Energy: 0.6176315781976885 Energy: 0.5475089001587099 Energy: 0.699235105408602 Energy: 0.5475089001593713 Energy: 0.699235105408602 Energy: 0.5475089001573872 Energy: 0.6992351054080008 Energy: 0.6063265159480397 Energy: 0.6056597153065393 Energy: 0.6063265159493622 Energy: 0.6056597153065393 Energy: 0.6063265159473783 Energy: 0.6056597153065393 Energy: 0.6092547930137518 Energy: 0.697726884048503 Energy: 0.6092547930137518 Energy: 0.6977268840498256 Energy: 0.6092547930144131 Energy: 0.697726884050487 Energy: 0.5991908306518035 Energy: 0.7455503512497379 Energy: 0.5991908306557713 Energy: 0.7455503512503991 Energy: 0.5991908306491581 Energy: 0.7455503512497379 Energy: 0.5876667963136954 Energy: 0.604765057843257 Energy: 0.5876667963136954 Energy: 0.604765057843257 Energy: 0.5876667963143568 Energy: 0.604765057843257 Energy: 0.5572811416771607 Energy: 0.6946275376691727 Energy: 0.5572811416778221 Energy: 0.6946275376698341 Energy: 0.5572811416778221 Energy: 0.6946275376698341 minimum gb energy = 0.5399963940802637 eV minimum distance = 2.33342083368508 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.5640353418530508 Energy: 0.5297793130190991 Energy: 0.5640353418530508 Energy: 0.5297793130190991 Energy: 0.5640353418530508 Energy: 0.5297793130190991 Energy: 0.5787506570312235 Energy: 0.5373328473237715 Energy: 0.5787506570317054 Energy: 0.5373328473237715 Energy: 0.5787506570307417 Energy: 0.5373328473237715 Energy: 0.5741509162452406 Energy: 0.539806062264608 Energy: 0.5741509162452406 Energy: 0.53980606226509 Energy: 0.5741509162457223 Energy: 0.539806062264608 Energy: 0.5384359927913953 Energy: 0.5528947751057066 Energy: 0.5384359927918771 Energy: 0.5528947751057066 Energy: 0.5384359927909135 Energy: 0.5528947751052248 Energy: 0.5770597973629142 Energy: 0.511723353612109 Energy: 0.5770597973638779 Energy: 0.511723353612109 Energy: 0.5770597973633961 Energy: 0.511723353612109 Energy: 0.5428593259427624 Energy: 0.5203081763480009 Energy: 0.5428593259427624 Energy: 0.5203081763480009 Energy: 0.5428593259432442 Energy: 0.5203081763484827 Energy: 0.49508515330140335 Energy: 0.537277569775529 Energy: 0.49508515330140335 Energy: 0.537277569775529 Energy: 0.49508515330188513 Energy: 0.5372775697760108 Energy: 0.573277062096463 Energy: 0.5022541702389361 Energy: 0.5732770620950175 Energy: 0.5022541702389361 Energy: 0.5732770620950175 Energy: 0.5022541702389361 Energy: 0.5203201264735533 Energy: 0.5130835257098019 Energy: 0.5203201264735533 Energy: 0.5130835257098019 Energy: 0.5203201264735533 Energy: 0.5130835257098019 Energy: 0.5804348970062215 Energy: 0.5113989223260005 Energy: 0.5804348970062215 Energy: 0.5113989223288916 Energy: 0.5804348970062215 Energy: 0.5113989223284098 Energy: 0.6262948811932232 Energy: 0.5614614466594053 Energy: 0.6262948811937051 Energy: 0.5614614466594053 Energy: 0.6262948811932232 Energy: 0.5614614466594053 Energy: 0.49424615774697606 Energy: 0.5145671734507279 Energy: 0.49424615774697606 Energy: 0.5145671734507279 Energy: 0.49424615774697606 Energy: 0.5145671734512097 Energy: 0.5793194368600101 Energy: 0.4921576585240807 Energy: 0.5793194368600101 Energy: 0.4921576585240807 Energy: 0.5793194368600101 Energy: 0.4921576585240807 Energy: 0.6246250510438274 Energy: 0.6190952671610432 Energy: 0.6246250510438274 Energy: 0.6190952671610432 Energy: 0.6246250510443093 Energy: 0.6190952671610432 Energy: 0.5112944013829817 Energy: 0.5144315399742574 Energy: 0.5112944013829817 Energy: 0.5144315399742574 Energy: 0.5112944013820179 Energy: 0.5144315399742574 Energy: 0.5448708809231478 Energy: 0.539559585139798 Energy: 0.5448708809231478 Energy: 0.5395595851402798 Energy: 0.544870880922666 Energy: 0.5395595851402798 Energy: 0.5266826433281193 Energy: 0.6171018437245709 Energy: 0.5266826433281193 Energy: 0.6171018437250526 Energy: 0.5266826433300467 Energy: 0.6171018437245709 Energy: 0.5290635250551983 Energy: 0.5143580777822906 Energy: 0.5290635250551983 Energy: 0.5143580777818088 Energy: 0.5290635250551983 Energy: 0.5143580777827724 Energy: 0.4948735749480579 Energy: 0.5695095384212366 Energy: 0.4948735749470942 Energy: 0.5695095384207548 Energy: 0.4948735749475761 Energy: 0.5695095384212366 Energy: 0.5431931999351935 Energy: 0.5627237112083776 Energy: 0.5431931999351935 Energy: 0.5627237112083776 Energy: 0.5431931999347118 Energy: 0.5627237112083776 Energy: 0.56632039429082 Energy: 0.5260102685905842 Energy: 0.5663203942917838 Energy: 0.5260102685905842 Energy: 0.566320394291302 Energy: 0.5260102685905842 Energy: 0.5381961047786565 Energy: 0.5734827467835404 Energy: 0.5381961047781747 Energy: 0.5734827467835404 Energy: 0.538196104777693 Energy: 0.5734827467830586 Energy: 0.5419325959269926 Energy: 0.5729408561199552 Energy: 0.5419325959274746 Energy: 0.5729408561199552 Energy: 0.5419325959274746 Energy: 0.5729408561194733 Energy: 0.5986926756178934 Energy: 0.5242307336922575 Energy: 0.5986926756178934 Energy: 0.5242307336922575 Energy: 0.5986926756174116 Energy: 0.5242307336922575 Energy: 0.49476674816137217 Energy: 0.5614336565389879 Energy: 0.4947667481608904 Energy: 0.5614336565389879 Energy: 0.4947667481608904 Energy: 0.5614336565394697 Energy: 0.5071759160182365 Energy: 0.5512573049665727 Energy: 0.5071759160182365 Energy: 0.5512573049665727 Energy: 0.5071759160182365 Energy: 0.5512573049665727 Energy: 0.5413115293473426 Energy: 0.5072166948947066 Energy: 0.5413115293473426 Energy: 0.5072166948951885 Energy: 0.5413115293478246 Energy: 0.5072166948947066 Energy: 0.48861201902261475 Energy: 0.5579222461780026 Energy: 0.48861201902261475 Energy: 0.5579222461784842 Energy: 0.48861201902261475 Energy: 0.5579222461784842 Energy: 0.5073804780295372 Energy: 0.5186004021430036 Energy: 0.5073804780285736 Energy: 0.5186004021434856 Energy: 0.5073804780285736 Energy: 0.5186004021430036 Energy: 0.5071051679311203 Energy: 0.5579541607865041 Energy: 0.5071051679306383 Energy: 0.5579541607850586 Energy: 0.5071051679301565 Energy: 0.5579541607860222 Energy: 0.5008342810796588 Energy: 0.5605771951540769 Energy: 0.5008342810801406 Energy: 0.5605771951540769 Energy: 0.5008342810801406 Energy: 0.5605771951540769 Energy: 0.5076392901105694 Energy: 0.5002755797953196 Energy: 0.5076392901105694 Energy: 0.5002755797953196 Energy: 0.5076392901105694 Energy: 0.5002755797953196 Energy: 0.4914256394245498 Energy: 0.5604325882217925 Energy: 0.491425639424068 Energy: 0.5604325882222745 Energy: 0.491425639424068 Energy: 0.5604325882208289 Energy: 0.6268898744575262 Energy: 0.5609583129599224 Energy: 0.626889874458008 Energy: 0.5609583129599224 Energy: 0.6268898744575262 Energy: 0.5609583129594407 Energy: 0.5283214354444967 Energy: 0.48650509856348717 Energy: 0.5283214354430512 Energy: 0.48650509856348717 Energy: 0.5283214354444967 Energy: 0.48650509856348717 Energy: 0.4556328979824097 Energy: 0.5592068164385282 Energy: 0.45563289798337336 Energy: 0.5592068164380463 Energy: 0.4556328979824097 Energy: 0.5592068164385282 minimum gb energy = 0.4556328979824097 eV minimum distance = 2.32605829715427 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.41737804972617576 Energy: 0.038051379426648414 Energy: 0.41737804972617576 Energy: 0.038051379426648414 Energy: 0.41737804972617576 Energy: 0.038051379426648414 Energy: 0.4173685614423397 Energy: 0.037610872073728624 Energy: 0.4173685614423397 Energy: 0.037610872073728624 Energy: 0.4173685614423397 Energy: 0.03761087207549901 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.41737804972617576 Energy: 0.03805137942133727 Energy: 0.41737804972617576 Energy: 0.03805137942133727 Energy: 0.41737804972617576 Energy: 0.038051379423107656 Energy: 0.4173685614423397 Energy: 0.037610872073728624 Energy: 0.4173685614423397 Energy: 0.037610872073728624 Energy: 0.4173685614423397 Energy: 0.037610872073728624 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.41737804972617576 Energy: 0.038051379419566884 Energy: 0.41737804972617576 Energy: 0.038051379419566884 Energy: 0.41737804972617576 Energy: 0.03805137942133727 Energy: 0.4173685614423397 Energy: 0.03761087205779518 Energy: 0.4173685614423397 Energy: 0.03761087206133595 Energy: 0.4173685614423397 Energy: 0.037610872059565564 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 Energy: 0.03652635416306803 Energy: 0.06639809065394771 minimum gb energy = 0.03652635416306803 eV minimum distance = 2.53159140309475 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.5437741713034309 Energy: 0.4902269965607367 Energy: 0.5437741713034309 Energy: 0.49022699656126645 Energy: 0.5437741713034309 Energy: 0.4902269965607367 Energy: 0.4762785631369199 Energy: 0.47795568103969666 Energy: 0.47627856313586037 Energy: 0.47795568103969666 Energy: 0.4762785631369199 Energy: 0.47795568103969666 Energy: 0.48985022081236945 Energy: 0.4867215551857106 Energy: 0.48985022081236945 Energy: 0.4867215551857106 Energy: 0.48985022081236945 Energy: 0.4867215551857106 Energy: 0.48738384026848247 Energy: 0.47027752237523396 Energy: 0.48738384026848247 Energy: 0.47027752237576376 Energy: 0.48738384026848247 Energy: 0.47027752237523396 Energy: 0.41849912174970666 Energy: 0.49209389952440535 Energy: 0.41849912174970666 Energy: 0.49209389952493515 Energy: 0.41849912174917686 Energy: 0.49209389952440535 Energy: 0.4922353075659469 Energy: 0.49226214635609333 Energy: 0.49223530756541706 Energy: 0.4922621463555636 Energy: 0.49223530756541706 Energy: 0.49226214635609333 Energy: 0.48675991675025393 Energy: 0.47693748273814585 Energy: 0.4867599167507837 Energy: 0.47693748273814585 Energy: 0.48675991675025393 Energy: 0.47693748273814585 Energy: 0.4153657703074187 Energy: 0.4817950115621431 Energy: 0.4153657703074187 Energy: 0.4817950115621431 Energy: 0.4153657703074187 Energy: 0.4817950115621431 Energy: 0.5000361013603967 Energy: 0.4959206242746348 Energy: 0.5000361013603967 Energy: 0.49592062427516465 Energy: 0.5000361013603967 Energy: 0.4959206242746348 Energy: 0.4868090788852086 Energy: 0.4454509503005517 Energy: 0.4868090788846788 Energy: 0.44545095030105747 Energy: 0.486809078884149 Energy: 0.4454509503005517 Energy: 0.44256289008384053 Energy: 0.4819532049281829 Energy: 0.44256289008384053 Energy: 0.4819532049281829 Energy: 0.44256289008331073 Energy: 0.4819532049281829 Energy: 0.5126964849439447 Energy: 0.5186704882683888 Energy: 0.5126964849439447 Energy: 0.5186704882678591 Energy: 0.5126964849439447 Energy: 0.5186704882678591 Energy: 0.4899228272631543 Energy: 0.4217668501308809 Energy: 0.4899228272631543 Energy: 0.4217668501303511 Energy: 0.4899228272631543 Energy: 0.4217668501308809 Energy: 0.4628335678890347 Energy: 0.5073759410428736 Energy: 0.4628335678890347 Energy: 0.5073759410434034 Energy: 0.4628335678890347 Energy: 0.5073759410434034 Energy: 0.49011839352713865 Energy: 0.5038437858199906 Energy: 0.49011839352713865 Energy: 0.5038437858205203 Energy: 0.49011839352713865 Energy: 0.5038437858199906 Energy: 0.4935875460254779 Energy: 0.4169277144025187 Energy: 0.4935875460254779 Energy: 0.41692771440198884 Energy: 0.4935875460254779 Energy: 0.41692771440198884 Energy: 0.4868284905312023 Energy: 0.5223437010779177 Energy: 0.4868284905312023 Energy: 0.5223437010784476 Energy: 0.4868284905312023 Energy: 0.5223437010779177 Energy: 0.4945854945605611 Energy: 0.48509554164651486 Energy: 0.4945854945605611 Energy: 0.48509554164598506 Energy: 0.4945854945605611 Energy: 0.48509554164651486 Energy: 0.4941997505169222 Energy: 0.46612402285602644 Energy: 0.4941997505169222 Energy: 0.46612402285602644 Energy: 0.4941997505169222 Energy: 0.46612402285602644 Energy: 0.38418659722208665 Energy: 0.5588609604013183 Energy: 0.3841865972252413 Energy: 0.5588609604007885 Energy: 0.384186597223652 Energy: 0.5588609604007885 Energy: 0.5131412030135635 Energy: 0.47984882733077255 Energy: 0.5131412030140933 Energy: 0.47984882733077255 Energy: 0.5131412030135635 Energy: 0.47984882733077255 Energy: 0.48499132948132956 Energy: 0.4729781675083606 Energy: 0.48499132948132956 Energy: 0.4729781675083606 Energy: 0.48499132948132956 Energy: 0.4729781675083606 Energy: 0.48716698200043124 Energy: 0.4833694654497187 Energy: 0.48716698200043124 Energy: 0.48336946545024845 Energy: 0.48716698200043124 Energy: 0.48336946545024845 Energy: 0.49483489172555617 Energy: 0.46865436549483525 Energy: 0.49483489172555617 Energy: 0.46865436549430545 Energy: 0.49483489172555617 Energy: 0.46865436549430545 Energy: 0.4947214243049546 Energy: 0.49181862749659955 Energy: 0.4947214243049546 Energy: 0.49181862749712923 Energy: 0.4947214243049546 Energy: 0.49181862749712923 Energy: 0.4767590041004484 Energy: 0.49622643388115517 Energy: 0.4767590041004484 Energy: 0.49622643388115517 Energy: 0.4767590041004484 Energy: 0.49622643388062543 Energy: 0.5475572005478595 Energy: 0.4166938653897723 Energy: 0.5475572005473298 Energy: 0.4166938653897723 Energy: 0.5475572005473298 Energy: 0.4166938653897723 Energy: 0.49090484780921473 Energy: 0.5035580321354067 Energy: 0.49090484780921473 Energy: 0.5035580321354067 Energy: 0.49090484780921473 Energy: 0.5035580321354067 Energy: 0.463873577320844 Energy: 0.4894306058744774 Energy: 0.463873577320844 Energy: 0.4894306058744774 Energy: 0.463873577320844 Energy: 0.48943060587394766 Energy: 0.5478292458840637 Energy: 0.4456653434346582 Energy: 0.5478292458840637 Energy: 0.44566534343412834 Energy: 0.5478292458840637 Energy: 0.44566534343412834 Energy: 0.5178999591605267 Energy: 0.5002255396791511 Energy: 0.5178999591605267 Energy: 0.5002255396791511 Energy: 0.5178999591605267 Energy: 0.5002255396791511 Energy: 0.4428485878337568 Energy: 0.49009128979336497 Energy: 0.4428485878337568 Energy: 0.49009128979336497 Energy: 0.4428485878337568 Energy: 0.49009128979336497 Energy: 0.5012489800389066 Energy: 0.48711627187093837 Energy: 0.5012489800394364 Energy: 0.48711627187093837 Energy: 0.5012489800394364 Energy: 0.48711627187093837 minimum gb energy = 0.38418659722208665 eV minimum distance = 2.37720473652173 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.6571536370629526 Energy: 0.5999652393839194 Energy: 0.6571536370629526 Energy: 0.5999652393839194 Energy: 0.6571536370629526 Energy: 0.5999652393831647 Energy: 0.5969605844240454 Energy: 0.6037659756127729 Energy: 0.5969605844240454 Energy: 0.6037659756127729 Energy: 0.5969605844248003 Energy: 0.6037659756127729 Energy: 0.6272052136071302 Energy: 0.6215877360384071 Energy: 0.6272052136071302 Energy: 0.6215877360391622 Energy: 0.6272052136071302 Energy: 0.6215877360384071 Energy: 0.6363370347155471 Energy: 0.598949990476068 Energy: 0.6363370347163021 Energy: 0.598949990475313 Energy: 0.6363370347163021 Energy: 0.598949990475313 Energy: 0.5363435378544859 Energy: 0.5829525262117856 Energy: 0.5363435378544859 Energy: 0.5829525262117856 Energy: 0.5363435378544859 Energy: 0.5829525262117856 Energy: 0.6261486127622294 Energy: 0.6176268813185628 Energy: 0.6261486127622294 Energy: 0.6176268813185628 Energy: 0.6261486127622294 Energy: 0.6176268813185628 Energy: 0.5859060076681641 Energy: 0.5816315766469773 Energy: 0.585906007668919 Energy: 0.5816315766469773 Energy: 0.5859060076681641 Energy: 0.5816315766469773 Energy: 0.5795826682727698 Energy: 0.5756417592441708 Energy: 0.5795826682735248 Energy: 0.5756417592441708 Energy: 0.57958266827126 Energy: 0.5756417592449257 Energy: 0.6436131664945962 Energy: 0.6527324991854708 Energy: 0.6436131664945962 Energy: 0.6527324991854708 Energy: 0.6436131664945962 Energy: 0.6527324991854708 Energy: 0.6097519040403293 Energy: 0.5478053737367565 Energy: 0.6097519040403293 Energy: 0.5478053737382664 Energy: 0.6097519040403293 Energy: 0.5478053737382664 Energy: 0.6051710028342584 Energy: 0.6229585113568484 Energy: 0.6051710028342584 Energy: 0.6229585113583583 Energy: 0.6051710028342584 Energy: 0.6229585113576034 Energy: 0.5899847314567903 Energy: 0.6194723584857779 Energy: 0.5899847314567903 Energy: 0.6194723584857779 Energy: 0.5899847314567903 Energy: 0.6194723584857779 Energy: 0.6093228733489479 Energy: 0.5883481142168564 Energy: 0.6093228733489479 Energy: 0.5883481142168564 Energy: 0.6093228733489479 Energy: 0.5883481142168564 Energy: 0.5945576620893538 Energy: 0.6217364973143442 Energy: 0.5945576620893538 Energy: 0.6217364973143442 Energy: 0.5945576620901087 Energy: 0.6217364973143442 Energy: 0.597182822065902 Energy: 0.5925801944152488 Energy: 0.597182822065902 Energy: 0.5925801944152488 Energy: 0.5971828220666227 Energy: 0.5925801944160038 Energy: 0.6329038223151309 Energy: 0.6018472051457596 Energy: 0.6329038223151309 Energy: 0.6018472051457596 Energy: 0.6329038223151309 Energy: 0.6018472051457596 Energy: 0.6150532557542316 Energy: 0.6272136185656364 Energy: 0.6150532557542316 Energy: 0.6272136185656364 Energy: 0.6150532557542316 Energy: 0.6272136185663912 Energy: 0.6117244828086319 Energy: 0.581771864159928 Energy: 0.6117244828086319 Energy: 0.581771864159928 Energy: 0.6117244828093868 Energy: 0.581771864159928 Energy: 0.6135057120832036 Energy: 0.6302855469302754 Energy: 0.6135057120832036 Energy: 0.6302855469302754 Energy: 0.6135057120824486 Energy: 0.6302855469302754 Energy: 0.5398580409685916 Energy: 0.6231812950727359 Energy: 0.5398580409693466 Energy: 0.6231812950727359 Energy: 0.5398580409685916 Energy: 0.6231812950727359 Energy: 0.6453440982428459 Energy: 0.5859987021939583 Energy: 0.6453440982436007 Energy: 0.5859987021939583 Energy: 0.6453440982436007 Energy: 0.5859987021939583 Energy: 0.6417086446966467 Energy: 0.6552513872537676 Energy: 0.6417086446966467 Energy: 0.6552513872537676 Energy: 0.6417086446966467 Energy: 0.6552513872537676 Energy: 0.541680918737572 Energy: 0.6226486292757571 Energy: 0.5416809187368171 Energy: 0.6226486292765121 Energy: 0.5416809187368171 Energy: 0.6226486292757571 minimum gb energy = 0.5363435378544859 eV minimum distance = 2.38769930499171 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.734255058594718 Energy: 0.6680536430173756 Energy: 0.7342550585951968 Energy: 0.6680536430173756 Energy: 0.734255058594718 Energy: 0.6680536430173756 Energy: 0.6701604807924294 Energy: 0.6919587645629797 Energy: 0.6701604807919506 Energy: 0.6919587645629797 Energy: 0.6701604807919506 Energy: 0.6919587645629797 Energy: 0.7099378442358406 Energy: 0.6926343719094596 Energy: 0.7099378442362759 Energy: 0.6926343719094596 Energy: 0.7099378442358406 Energy: 0.6926343719099386 Energy: 0.7100552343949191 Energy: 0.6837987452675085 Energy: 0.7100552343949191 Energy: 0.6837987452670296 Energy: 0.7100552343953981 Energy: 0.6837987452675085 Energy: 0.6788078715659058 Energy: 0.683921374541124 Energy: 0.6788078715668636 Energy: 0.683921374541603 Energy: 0.6788078715659058 Energy: 0.6839213745420818 Energy: 0.7508033376076959 Energy: 0.7403631208146757 Energy: 0.750803337607217 Energy: 0.7403631208146757 Energy: 0.750803337607217 Energy: 0.7403631208146757 Energy: 0.6723364672685463 Energy: 0.6513240815621374 Energy: 0.6723364672680676 Energy: 0.6513240815621374 Energy: 0.6723364672680676 Energy: 0.6513240815621374 Energy: 0.7064201174909845 Energy: 0.7052056310799854 Energy: 0.7064201174909845 Energy: 0.7052056310804641 Energy: 0.7064201174909845 Energy: 0.7052056310799854 Energy: 0.6858900989598331 Energy: 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0.6717638940215276 Energy: 0.6614871562109501 Energy: 0.709901823435608 Energy: 0.7485125692995566 Energy: 0.7099018234365657 Energy: 0.7485125693000354 Energy: 0.7099018234360869 Energy: 0.7485125692995566 Energy: 0.6678229669116053 Energy: 0.6904067031310017 Energy: 0.6678229669116053 Energy: 0.6904067031314807 Energy: 0.6678229669120841 Energy: 0.6904067031310017 Energy: 0.6639458899914695 Energy: 0.64845331435777 Energy: 0.6639458899909907 Energy: 0.6484533143572911 Energy: 0.6639458899914695 Energy: 0.64845331435777 Energy: 0.7498671689364798 Energy: 0.7368190982393581 Energy: 0.7498671689355221 Energy: 0.7368190982398369 Energy: 0.7498671689360008 Energy: 0.7368190982393581 Energy: 0.6407531610089761 Energy: 0.6936483080168967 Energy: 0.6407531610113705 Energy: 0.6936483080168967 Energy: 0.6407531610128072 Energy: 0.6936483080173755 Energy: 0.7121986814093798 Energy: 0.7073431010372089 Energy: 0.7121986814093798 Energy: 0.7073431010362511 Energy: 0.7121986814093798 Energy: 0.7073431010362511 Energy: 0.6938379018355503 Energy: 0.6863689970123482 Energy: 0.6938379018355503 Energy: 0.6863689970128272 Energy: 0.6938379018350714 Energy: 0.6863689970123482 Energy: 0.6706085296170243 Energy: 0.6933633035121455 Energy: 0.6706085296165454 Energy: 0.6933633035126244 Energy: 0.6706085296165454 Energy: 0.6933633035121455 Energy: 0.7226976318975038 Energy: 0.6694596487128459 Energy: 0.7226976318984616 Energy: 0.6694596487128459 Energy: 0.7226976318975038 Energy: 0.6694596487128459 Energy: 0.6726606042294525 Energy: 0.6841896975442437 Energy: 0.6726606042299313 Energy: 0.6841896975442437 Energy: 0.6726606042299313 Energy: 0.6841896975442437 minimum gb energy = 0.6278896962412835 eV minimum distance = 2.35913061413279 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8364452804842161 Energy: 0.8058087578817158 Energy: 0.8364452804842161 Energy: 0.8058087578830234 Energy: 0.8364452804842161 Energy: 0.8058087578830234 Energy: 0.7863675817340889 Energy: 0.8032000005686017 Energy: 0.7863675817340889 Energy: 0.8032000005686017 Energy: 0.7863675817340889 Energy: 0.8032000005699093 Energy: 0.8727654796464294 Energy: 0.7996540529330919 Energy: 0.8727654796464294 Energy: 0.7996540529330919 Energy: 0.8727654796464294 Energy: 0.7996540529330919 Energy: 0.8299568395760971 Energy: 0.8217208037773757 Energy: 0.8299568395760971 Energy: 0.8217208037786832 Energy: 0.8299568395774046 Energy: 0.8217208037773757 Energy: 0.7756683152932644 Energy: 0.7968352027511733 Energy: 0.7756683152932644 Energy: 0.7968352027511733 Energy: 0.7756683152932644 Energy: 0.7968352027511733 Energy: 0.8962853364638279 Energy: 0.8606290737399925 Energy: 0.8962853364638279 Energy: 0.8606290737399925 Energy: 0.8962853364638279 Energy: 0.8606290737399925 Energy: 0.8275029659278008 Energy: 0.7645558174251276 Energy: 0.8275029659278008 Energy: 0.7645558174264352 Energy: 0.8275029659278008 Energy: 0.7645558174251276 Energy: 0.834457061318977 Energy: 0.8041151070988288 Energy: 0.834457061318977 Energy: 0.8041151070988288 Energy: 0.834457061318977 Energy: 0.8041151070988288 Energy: 0.7262384167926824 Energy: 0.786275827444273 Energy: 0.7262384167913749 Energy: 0.786275827444273 Energy: 0.7262384167913749 Energy: 0.786275827444273 Energy: 0.8299144819238283 Energy: 0.8129782347081129 Energy: 0.8299144819225208 Energy: 0.8129782347081129 Energy: 0.8299144819238283 Energy: 0.8129782347081129 Energy: 0.7388647424507447 Energy: 0.8002371134763893 Energy: 0.7388647424507447 Energy: 0.8002371134763893 Energy: 0.7388647424507447 Energy: 0.8002371134763893 Energy: 0.784765453296808 Energy: 0.8034337046914857 Energy: 0.7847654532981153 Energy: 0.8034337046927932 Energy: 0.784765453296808 Energy: 0.8034337046914857 Energy: 0.737126063612673 Energy: 0.8384928015663349 Energy: 0.7371260636139804 Energy: 0.8384928015663349 Energy: 0.7371260636139804 Energy: 0.8384928015663349 Energy: 0.7809652361282718 Energy: 0.8042177138747169 Energy: 0.7809652361282718 Energy: 0.8042177138747169 Energy: 0.7809652361282718 Energy: 0.8042177138747169 minimum gb energy = 0.7262384167913749 eV minimum distance = 2.3422186694377 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 0.994263166973653 Energy: 0.951672420756876 Energy: 0.9942631669730787 Energy: 0.951672420756876 Energy: 0.994263166973653 Energy: 0.951672420756876 Energy: 0.8736835018193692 Energy: 0.9074030965557152 Energy: 0.8736835018193692 Energy: 0.9074030965557152 Energy: 0.8736835018193692 Energy: 0.9074030965557152 Energy: 0.9290499800831151 Energy: 0.9151974926036971 Energy: 0.9290499800831151 Energy: 0.9151974926036971 Energy: 0.9290499800831151 Energy: 0.9151974926036971 Energy: 0.9190056465974104 Energy: 0.8740682308838893 Energy: 0.9190056465968359 Energy: 0.8740682308838893 Energy: 0.9190056465974104 Energy: 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0.9114641488678299 Energy: 0.9150866228255056 Energy: 0.9114641488678299 Energy: 0.9150866228255056 Energy: 0.9442077188301621 Energy: 0.9138416158677122 Energy: 0.9442077188301621 Energy: 0.9138416158677122 Energy: 0.9442077188301621 Energy: 0.9138416158677122 Energy: 0.9088196564771531 Energy: 0.9071417833478632 Energy: 0.9088196564771531 Energy: 0.9071417833478632 Energy: 0.9088196564765787 Energy: 0.9071417833478632 Energy: 0.8921021254526111 Energy: 0.9069205815915669 Energy: 0.8921021254526111 Energy: 0.9069205815915669 Energy: 0.8921021254526111 Energy: 0.9069205815915669 Energy: 0.8946850431082081 Energy: 0.9318778890099957 Energy: 0.8946850431082081 Energy: 0.9318778890105701 Energy: 0.8946850431082081 Energy: 0.9318778890082725 Energy: 0.9203988456153734 Energy: 0.9016289655492967 Energy: 0.9203988456153734 Energy: 0.9016289655492967 Energy: 0.9203988456153734 Energy: 0.9016289655492967 Energy: 0.9159647085228037 Energy: 0.9236779296534495 Energy: 0.9159647085228037 Energy: 0.923677929654024 Energy: 0.9159647085228037 Energy: 0.9236779296534495 Energy: 0.90435595698358 Energy: 0.8665260068521418 Energy: 0.90435595698358 Energy: 0.8665260068521418 Energy: 0.90435595698358 Energy: 0.8665260068521418 Energy: 0.9079698105179197 Energy: 0.951179953572274 Energy: 0.9079698105179197 Energy: 0.951179953572274 Energy: 0.9079698105179197 Energy: 0.951179953572274 minimum gb energy = 0.8591938456312005 eV minimum distance = 2.31919919836207 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.8897239249447912 Energy: 0.8852879474871224 Energy: 0.8897239249447912 Energy: 0.8852879474871224 Energy: 0.8897239249447912 Energy: 0.8852879474871224 Energy: 0.9286813051797023 Energy: 0.8780106073818397 Energy: 0.9286813051797023 Energy: 0.8780106073828617 Energy: 0.9286813051797023 Energy: 0.8780106073828617 Energy: 0.9355641829642192 Energy: 0.9126728705366373 Energy: 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0.9355641829642192 Energy: 0.9126728705366373 Energy: 0.8940288192075043 Energy: 0.9369798595745557 Energy: 0.8940288192075043 Energy: 0.9369798595745557 Energy: 0.8940288192075043 Energy: 0.9369798595745557 Energy: 0.9355422699133525 Energy: 0.9126843793536595 Energy: 0.9355422699123305 Energy: 0.9126843793536595 Energy: 0.9355422699133525 Energy: 0.9126843793536595 minimum gb energy = 0.8769811670221084 eV minimum distance = 2.34024827811082 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9775645912765102 Energy: 0.9161399695311725 Energy: 0.9775645912765102 Energy: 0.9161399695311725 Energy: 0.9775645912765102 Energy: 0.9161399695311725 Energy: 0.9473638059394168 Energy: 0.9150309790169286 Energy: 0.9473638059394168 Energy: 0.9150309790169286 Energy: 0.9473638059402514 Energy: 0.9150309790169286 Energy: 0.938407035559681 Energy: 0.9412883901734959 Energy: 0.9384070355605155 Energy: 0.9412883901734959 Energy: 0.938407035559681 Energy: 0.9412883901734959 Energy: 0.9230853225873134 Energy: 0.988359893617214 Energy: 0.9230853225873134 Energy: 0.988359893617214 Energy: 0.9230853225873134 Energy: 0.988359893617214 Energy: 0.9489018707976103 Energy: 0.9434517767646746 Energy: 0.9489018707976103 Energy: 0.9434517767646746 Energy: 0.9489018707976103 Energy: 0.9434517767646746 Energy: 0.950453457742254 Energy: 0.9454314310064761 Energy: 0.950453457742254 Energy: 0.945431431007311 Energy: 0.950453457742254 Energy: 0.9454314310064761 Energy: 0.9348858239951191 Energy: 0.9487436734865523 Energy: 0.9348858239951191 Energy: 0.9487436734873868 Energy: 0.9348858239951191 Energy: 0.9487436734873868 Energy: 0.9337279267487957 Energy: 0.969176360296807 Energy: 0.9337279267487957 Energy: 0.969176360296807 Energy: 0.9337279267487957 Energy: 0.969176360296807 Energy: 0.9989480159711329 Energy: 0.960048060875969 Energy: 0.9989480159719675 Energy: 0.960048060875969 Energy: 0.9989480159719675 Energy: 0.9600480608768034 Energy: 0.9381046524920982 Energy: 0.9329276980502473 Energy: 0.9381046524920982 Energy: 0.9329276980510818 Energy: 0.9381046524920982 Energy: 0.9329276980502473 Energy: 0.9281800068559238 Energy: 0.9462883581550237 Energy: 0.9281800068559238 Energy: 0.9462883581558582 Energy: 0.9281800068550893 Energy: 0.9462883581558582 Energy: 0.9646014520230691 Energy: 0.9538699042646565 Energy: 0.9646014520239036 Energy: 0.9538699042646565 Energy: 0.9646014520239036 Energy: 0.9538699042646565 Energy: 0.9299648269808755 Energy: 0.9682525444799646 Energy: 0.92996482698171 Energy: 0.9682525444799646 Energy: 0.92996482698171 Energy: 0.9682525444799646 Energy: 0.931337337979614 Energy: 0.9339433638783701 Energy: 0.9313373379787795 Energy: 0.9339433638783701 Energy: 0.931337337979614 Energy: 0.9339433638775355 Energy: 0.9547767310541023 Energy: 0.9454426552706978 Energy: 0.9547767310541023 Energy: 0.9454426552706978 Energy: 0.9547767310541023 Energy: 0.9454426552706978 Energy: 0.9779220012694633 Energy: 0.9442159517190275 Energy: 0.9779220012694633 Energy: 0.9442159517190275 Energy: 0.9779220012694633 Energy: 0.9442159517190275 Energy: 0.9597306251572063 Energy: 0.9445382189134951 Energy: 0.9597306251572063 Energy: 0.9445382189134951 Energy: 0.9597306251572063 Energy: 0.9445382189134951 Energy: 1.0310424783517194 Energy: 0.9391847619207752 Energy: 1.0310424783517194 Energy: 0.9391847619224442 Energy: 1.0310424783508847 Energy: 0.9391847619232786 Energy: 0.9275319637477993 Energy: 0.9381120173006539 Energy: 0.9275319637477993 Energy: 0.9381120173006539 Energy: 0.9275319637477993 Energy: 0.9381120173006539 Energy: 0.937535566387179 Energy: 0.9156834943764753 Energy: 0.937535566387179 Energy: 0.9156834943756409 Energy: 0.937535566387179 Energy: 0.9156834943764753 Energy: 0.9883696274811633 Energy: 0.9543393351798055 Energy: 0.9883696274811633 Energy: 0.9543393351806401 Energy: 0.9883696274811633 Energy: 0.9543393351798055 minimum gb energy = 0.9150309790169286 eV minimum distance = 2.31771241923752 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 1.007857904189575 Energy: 0.9677564371162204 Energy: 0.9861125548788692 Energy: 0.9677564371169239 Energy: 1.007857904189575 Energy: 0.9677564371176274 Energy: 0.9952199071309921 Energy: 0.9051852765649079 Energy: 0.9952199071309921 Energy: 0.9051852765649079 Energy: 0.9952199071316955 Energy: 0.9051852765649079 Energy: 0.906900576303835 Energy: 0.9297922706851341 Energy: 0.906900576303835 Energy: 0.9297922706851341 Energy: 0.906900576303835 Energy: 0.9297922706851341 Energy: 0.906552438266661 Energy: 0.965289241109439 Energy: 0.9065524382659574 Energy: 0.9652892411087356 Energy: 0.906552438266661 Energy: 0.9652892411087356 Energy: 0.9057519843106672 Energy: 0.9467592608441139 Energy: 0.9057519843099636 Energy: 0.9467592608434106 Energy: 0.9057519843099636 Energy: 0.9467592608434106 Energy: 0.9391302281298574 Energy: 0.974591470809674 Energy: 0.9391302281298574 Energy: 0.974591470809674 Energy: 0.9391302281298574 Energy: 0.974591470809674 Energy: 0.9259833445233947 Energy: 0.9656552077479992 Energy: 0.9259833445226914 Energy: 0.9656552077479992 Energy: 0.9259833445226914 Energy: 0.9656552077479992 Energy: 0.9805767412522145 Energy: 0.9069507302234608 Energy: 0.9805767412522145 Energy: 0.9069507302234608 Energy: 0.9805767412522145 Energy: 0.9069507302234608 Energy: 0.9989894857487206 Energy: 0.9257798258770833 Energy: 0.9988648061510598 Energy: 0.9257798258770833 Energy: 0.9989894857487206 Energy: 0.9257798258770833 Energy: 0.9887973281362816 Energy: 0.9293161375376044 Energy: 0.9889011822555138 Energy: 0.9293161375376044 Energy: 0.9887973281362816 Energy: 0.9293161375376044 Energy: 0.98531295540479 Energy: 0.9421490083462716 Energy: 0.9855158514485127 Energy: 0.9421490083462716 Energy: 0.9853129554040866 Energy: 0.9421490083455681 Energy: 0.9671937933467927 Energy: 0.9038711534942281 Energy: 0.9671937933467927 Energy: 0.9038711534942281 Energy: 0.9671937933467927 Energy: 0.9038711534942281 Energy: 0.9452531020966497 Energy: 0.9882454515809893 Energy: 0.9452531020966497 Energy: 0.9882454515809893 Energy: 0.9452531020966497 Energy: 0.9882454515816927 Energy: 0.9222238368263738 Energy: 0.905067578367012 Energy: 0.9222238368270772 Energy: 0.9050675783663086 Energy: 0.9222238368270772 Energy: 0.905067578367012 Energy: 0.9469660332610277 Energy: 0.9876147617204679 Energy: 0.9467828573546685 Energy: 0.9876147617197643 Energy: 0.9469660332610277 Energy: 0.9876147617197643 Energy: 0.9195365344287427 Energy: 0.9459626940969307 Energy: 0.9195365344280392 Energy: 0.9459626940969307 Energy: 0.9195365344280392 Energy: 0.9459626940969307 Energy: 0.9043583529675157 Energy: 0.909218201173788 Energy: 0.904358352968219 Energy: 0.909218201173788 Energy: 0.9043583529675157 Energy: 0.909218201173788 Energy: 0.9668160592425578 Energy: 0.9209926034862383 Energy: 0.9668160592418543 Energy: 0.9209926034862383 Energy: 0.9668160592418543 Energy: 0.9209926034862383 Energy: 0.9228540133633044 Energy: 0.9052117361404846 Energy: 0.8624234727966616 Energy: 0.9052117361418915 Energy: 0.9228540133633044 Energy: 0.905211736141188 Energy: 1.007857904189575 Energy: 0.9677564371183308 Energy: 0.9861125548781656 Energy: 0.9677564371169239 Energy: 1.007857904189575 Energy: 0.9677564371183308 Energy: 0.995219907132399 Energy: 0.9051852765656113 Energy: 0.9952199071316955 Energy: 0.9051852765649079 Energy: 0.9952199071316955 Energy: 0.9051852765649079 Energy: 0.9069005763045386 Energy: 0.9297922706858376 Energy: 0.9069005763045386 Energy: 0.9297922706851341 Energy: 0.9069005763045386 Energy: 0.9297922706858376 Energy: 0.9065524382659574 Energy: 0.9652892411087356 Energy: 0.9065524382659574 Energy: 0.9652892411087356 Energy: 0.9065524382659574 Energy: 0.9652892411087356 Energy: 0.9057519843099636 Energy: 0.9467592608434106 Energy: 0.9057519843099636 Energy: 0.9467592608434106 Energy: 0.9057519843099636 Energy: 0.9467592608434106 Energy: 0.9391302281305609 Energy: 0.974591470809674 Energy: 0.9391302281305609 Energy: 0.9745914708103774 Energy: 0.9391302281298574 Energy: 0.974591470809674 minimum gb energy = 0.8624234727966616 eV minimum distance = 2.30461235359158 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9145782357103338 Energy: 0.9167320866129859 Energy: 0.9145782357103338 Energy: 0.9167320866129859 Energy: 0.9145782357097267 Energy: 0.9167320866129859 Energy: 0.9078594304123998 Energy: 0.8915445025932186 Energy: 0.9078594304123998 Energy: 0.8915445025926115 Energy: 0.9078594304123998 Energy: 0.8915445025926115 Energy: 0.9119508660478461 Energy: 0.8699999681986249 Energy: 0.9119508660478461 Energy: 0.8699999681986249 Energy: 0.9119508660478461 Energy: 0.8699999681986249 Energy: 0.8806454096067043 Energy: 0.9081259851728947 Energy: 0.8806454096067043 Energy: 0.9081259851735021 Energy: 0.8806454096067043 Energy: 0.9081259851728947 Energy: 0.894715472646813 Energy: 0.9068644705254371 Energy: 0.894715472646813 Energy: 0.9068644705248298 Energy: 0.894715472646813 Energy: 0.9068644705248298 Energy: 0.9023237802583556 Energy: 0.8883108323408849 Energy: 0.9023237802577482 Energy: 0.8883108323408849 Energy: 0.9023237802583556 Energy: 0.8883108323408849 Energy: 0.870751460967506 Energy: 0.9238767929869655 Energy: 0.870751460967506 Energy: 0.9238767929869655 Energy: 0.870751460967506 Energy: 0.9238767929863583 Energy: 0.8913327109531851 Energy: 0.9427869979284101 Energy: 0.8913327109531851 Energy: 0.9427869979284101 Energy: 0.8913327109531851 Energy: 0.9427869979284101 Energy: 0.9538102384987569 Energy: 0.8681845265455597 Energy: 0.9538102384987569 Energy: 0.8681845265455597 Energy: 0.9538102384987569 Energy: 0.8681845265455597 Energy: 0.9128558512425082 Energy: 0.9043260046058555 Energy: 0.9128558512419009 Energy: 0.9043260046058555 Energy: 0.9128558512425082 Energy: 0.9043260046058555 Energy: 0.8712179936758926 Energy: 0.9239135131975007 Energy: 0.8712179936758926 Energy: 0.923913513198108 Energy: 0.8712179936758926 Energy: 0.923913513198108 Energy: 0.9129573511161669 Energy: 0.8682465622128371 Energy: 0.9129573511161669 Energy: 0.8682465622134444 Energy: 0.9129573511167742 Energy: 0.8682465622128371 Energy: 0.9002458711762674 Energy: 0.8962990668736553 Energy: 0.9002458711762674 Energy: 0.8962990668742626 Energy: 0.9002458711762674 Energy: 0.8962990668736553 Energy: 0.884975946223185 Energy: 0.9000240905832688 Energy: 0.884975946223185 Energy: 0.9000240905826615 Energy: 0.8849759462237646 Energy: 0.9000240905820543 Energy: 0.9244637997056957 Energy: 0.8789393988315848 Energy: 0.9244637997063028 Energy: 0.8789393988315848 Energy: 0.9244637997063028 Energy: 0.8789393988315848 Energy: 0.9114263768171431 Energy: 0.8641431589889462 Energy: 0.9114263768177504 Energy: 0.8641431589889462 Energy: 0.9114263768177504 Energy: 0.8641431589889462 Energy: 0.8798351998139414 Energy: 0.904264590440616 Energy: 0.8798351998139414 Energy: 0.904264590440616 Energy: 0.879835199813334 Energy: 0.904264590440616 Energy: 0.9149638711324362 Energy: 0.9149804420911697 Energy: 0.9149638711324362 Energy: 0.9149804420911697 Energy: 0.9149638711324362 Energy: 0.9149804420911697 Energy: 0.8964086358957257 Energy: 0.8860898485414301 Energy: 0.8964086358957257 Energy: 0.8860898485414301 Energy: 0.8964086358957257 Energy: 0.8860898485408228 Energy: 0.8864836965505892 Energy: 0.9134319300642042 Energy: 0.8864836965499819 Energy: 0.9134319300642042 Energy: 0.8864836965499819 Energy: 0.9134319300642042 Energy: 0.8600541660168511 Energy: 0.9236068640038435 Energy: 0.8600541660168511 Energy: 0.9236068640044506 Energy: 0.8600541660168511 Energy: 0.9236068640044506 Energy: 0.956497339388899 Energy: 0.8687021670366103 Energy: 0.956497339388899 Energy: 0.8687021670360031 Energy: 0.9564973393882917 Energy: 0.8687021670366103 Energy: 0.9545840949801737 Energy: 0.906278936454427 Energy: 0.9545840949801737 Energy: 0.906278936454427 Energy: 0.9545840949801737 Energy: 0.906278936454427 Energy: 0.9112578703105324 Energy: 0.9197342171189496 Energy: 0.9112578703105324 Energy: 0.9197342171189496 Energy: 0.9112578703105324 Energy: 0.9197342171189496 Energy: 0.9016340560404748 Energy: 0.8687819222787481 Energy: 0.9016340560410819 Energy: 0.8687819222781409 Energy: 0.9016340560404748 Energy: 0.8687819222787481 Energy: 0.9092047364897383 Energy: 0.8869020423352951 Energy: 0.9092047364903455 Energy: 0.8869020423352951 Energy: 0.9092047364891309 Energy: 0.8869020423352951 Energy: 0.8680870875447917 Energy: 0.9034001735507566 Energy: 0.8680870875447917 Energy: 0.9034001735513639 Energy: 0.8680870875447917 Energy: 0.9034001735507566 Energy: 0.9218722920998919 Energy: 0.8930468000780016 Energy: 0.9218722920998919 Energy: 0.8930468000780016 Energy: 0.9218722920998919 Energy: 0.8930468000780016 Energy: 0.9082383038822709 Energy: 0.8925689283209111 Energy: 0.9082383038828781 Energy: 0.8925689283215184 Energy: 0.9082383038828781 Energy: 0.8925689283209111 minimum gb energy = 0.8600541660168511 eV minimum distance = 2.31864297218101 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.858012661175496 Energy: 0.9095724379101342 Energy: 0.858012661175496 Energy: 0.9095724379101342 Energy: 0.858012661175496 Energy: 0.9095724379101342 Energy: 0.8826410083730513 Energy: 0.8505298326876952 Energy: 0.8826410083741189 Energy: 0.8505298326876952 Energy: 0.8826410083735851 Energy: 0.8505298326876952 Energy: 0.8906087054998996 Energy: 0.82911111268461 Energy: 0.8906087054998996 Energy: 0.82911111268461 Energy: 0.8906087055004334 Energy: 0.82911111268461 Energy: 0.8215824177116539 Energy: 0.8977986961210518 Energy: 0.8215824177111202 Energy: 0.8977986961210518 Energy: 0.8215824177111202 Energy: 0.8977986961210518 Energy: 0.8577596201440606 Energy: 0.8610561859195016 Energy: 0.8577596201435268 Energy: 0.8610561859195016 Energy: 0.8577596201440606 Energy: 0.8610561859195016 Energy: 0.8911717662618308 Energy: 0.8286594948672847 Energy: 0.8911717662623647 Energy: 0.8286594948667511 Energy: 0.8911717662618308 Energy: 0.8286594948672847 Energy: 0.8491411394724118 Energy: 0.8850384705287202 Energy: 0.8491411394718777 Energy: 0.8850384705287202 Energy: 0.8491411394724118 Energy: 0.8850384705281864 Energy: 0.8192550856180797 Energy: 0.8896380032947072 Energy: 0.8192550856186136 Energy: 0.8896380032947072 Energy: 0.8192550856186136 Energy: 0.8896380032947072 Energy: 0.889590329396047 Energy: 0.8294664074242388 Energy: 0.8895903293955132 Energy: 0.8294664074242388 Energy: 0.889590329396047 Energy: 0.8294664074242388 Energy: 0.8581309959382029 Energy: 0.9025344031487237 Energy: 0.8581309959382029 Energy: 0.9025344031487237 Energy: 0.8581309959382029 Energy: 0.9025344031487237 Energy: 0.817600290713547 Energy: 0.9813887186458318 Energy: 0.817600290713547 Energy: 0.9813887186458318 Energy: 0.817600290713547 Energy: 0.9813887186458318 Energy: 0.9170220663177526 Energy: 0.8502196135138369 Energy: 0.9170220663172189 Energy: 0.8502196135149047 Energy: 0.9170220663177526 Energy: 0.8502196135138369 Energy: 0.8781226673239831 Energy: 0.8287807779915695 Energy: 0.8781226673239831 Energy: 0.8287807779915695 Energy: 0.8781226673239831 Energy: 0.8287807779915695 Energy: 0.8622729713977506 Energy: 0.9043988679592936 Energy: 0.862272971397217 Energy: 0.9043988679592936 Energy: 0.862272971397217 Energy: 0.9043988679592936 Energy: 0.9017516134145176 Energy: 0.8585315540330807 Energy: 0.9017516134145176 Energy: 0.8585315540330807 Energy: 0.9017516134139838 Energy: 0.8585315540330807 Energy: 0.8829531984247215 Energy: 0.8284922960166682 Energy: 0.8829531984247215 Energy: 0.8284922960166682 Energy: 0.8829531984247215 Energy: 0.8284922960166682 Energy: 0.8152876293015913 Energy: 0.8955563204551376 Energy: 0.8152876293015913 Energy: 0.8955563204551376 Energy: 0.8152876293015913 Energy: 0.8955563204551376 Energy: 0.8136480451537583 Energy: 0.8860986886006087 Energy: 0.8136480451537583 Energy: 0.8860986886006087 Energy: 0.8136480451537583 Energy: 0.8860986886006087 Energy: 0.8890246170994939 Energy: 0.8291161016919435 Energy: 0.8890246170994939 Energy: 0.8291161016914096 Energy: 0.8890246170989601 Energy: 0.8291161016924772 Energy: 0.8341397310695046 Energy: 0.8891613492476106 Energy: 0.8341397310663019 Energy: 0.8891613492481444 Energy: 0.8341397310679032 Energy: 0.8891613492476106 Energy: 0.8166326126047073 Energy: 0.9792546275407784 Energy: 0.8166326126047073 Energy: 0.9792546275402446 Energy: 0.8166326126047073 Energy: 0.9792546275407784 Energy: 0.909620262798588 Energy: 0.8251099309490174 Energy: 0.9096202627980542 Energy: 0.8251099309495512 Energy: 0.9096202627980542 Energy: 0.8251099309490174 Energy: 0.9087705210416536 Energy: 0.8243988096108058 Energy: 0.9087705210416536 Energy: 0.8243988096108058 Energy: 0.9087705210416536 Energy: 0.8243988096108058 Energy: 0.8215030130905244 Energy: 0.901573169842115 Energy: 0.8215030130905244 Energy: 0.901573169842115 Energy: 0.8215030130905244 Energy: 0.901573169842115 Energy: 0.9131300884322456 Energy: 0.8597074405355576 Energy: 0.9131300884327797 Energy: 0.8597074405355576 Energy: 0.9131300884327797 Energy: 0.8597074405355576 Energy: 0.879967524368881 Energy: 0.8281914227908133 Energy: 0.8799675243694147 Energy: 0.8281914227908133 Energy: 0.8799675243694147 Energy: 0.8281914227908133 Energy: 0.8575432552137188 Energy: 0.889286827924145 Energy: 0.8575432552131849 Energy: 0.889286827924145 Energy: 0.8575432552131849 Energy: 0.889286827924145 Energy: 0.8577384470541013 Energy: 0.8581821112904735 Energy: 0.8577384470541013 Energy: 0.8581821112899397 Energy: 0.8577384470541013 Energy: 0.8581821112904735 Energy: 0.9016997923391215 Energy: 0.8377981870366227 Energy: 0.9016997923391215 Energy: 0.8377981870371566 Energy: 0.9016997923391215 Energy: 0.8377981870371566 Energy: 0.8141738790673451 Energy: 0.8922922783644882 Energy: 0.8141738790673451 Energy: 0.8922922783644882 Energy: 0.8141738790673451 Energy: 0.8922922783644882 Energy: 0.8156970133230015 Energy: 0.8748719515133435 Energy: 0.8156970133230015 Energy: 0.8748719515133435 Energy: 0.8156970133230015 Energy: 0.8748719515133435 Energy: 0.9092610949669878 Energy: 0.8252141232091084 Energy: 0.9092610949669878 Energy: 0.8252141232091084 Energy: 0.9092610949675216 Energy: 0.8252141232091084 Energy: 0.9080342643508903 Energy: 0.8245327913374073 Energy: 0.9080342643514241 Energy: 0.8245327913374073 Energy: 0.9080342643508903 Energy: 0.8245327913368736 minimum gb energy = 0.8136480451537583 eV minimum distance = 2.3296179773186 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015486332620399735 Energy: 0.6443308002341639 Energy: 0.015486332620399735 Energy: 0.6443308002341639 Energy: 0.015486332620399735 Energy: 0.6443308002341639 Energy: 0.016394195509076392 Energy: 0.2514994579118802 Energy: 0.016394195509076392 Energy: 0.2514994579118802 Energy: 0.01639419550949526 Energy: 0.2514994579118802 Energy: 0.6448273061017553 Energy: 0.251497965503401 Energy: 0.6448273061000059 Energy: 0.25149796600363006 Energy: 0.6448273061008684 Energy: 0.2514979657149302 Energy: 0.01639419550949526 Energy: 0.25149945791146133 Energy: 0.016394195509076392 Energy: 0.2514994579118802 Energy: 0.016394195509076392 Energy: 0.2514994579118802 minimum gb energy = 0.015486332620399735 eV minimum distance = 2.54314107412731 Angstroms sigma value = 1