Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_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=3.620000004768371 cohesive_energy=3.5402784093724726 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: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.013646713722442895 Energy: 0.7042816416723413 Energy: 0.013646713722130152 Energy: 0.7042816416723413 Energy: 0.013646713722442895 Energy: 0.7042816416723413 Energy: 0.704281641672654 Energy: 0.31638799544602914 Energy: 0.7042816416723413 Energy: 0.3163879954463419 Energy: 0.7042816416723413 Energy: 0.3163879954463419 Energy: 0.013646713722130152 Energy: 0.7042816416723413 Energy: 0.013646713722130152 Energy: 0.704281641672654 Energy: 0.013646713722442895 Energy: 0.7042816416723413 Energy: 0.7042816416723413 Energy: 0.31638799544602914 Energy: 0.7042816416723413 Energy: 0.3163879954463419 Energy: 0.7042816416723413 Energy: 0.9263597560438288 Energy: 0.013646713722442895 Energy: 0.7042816416723413 Energy: 0.013646713722130152 Energy: 0.704281641672654 Energy: 0.013646713722442895 Energy: 0.7042816416723413 Energy: 0.7042816416723413 Energy: 0.31638799544602914 Energy: 0.7042816416723413 Energy: 0.9263597560438288 Energy: 0.7042816416723413 Energy: 0.8081522437660181 minimum gb energy = 0.013646713722130152 eV minimum distance = 2.35231311605428 Angstroms sigma value = 1 ======================================== theta = 20.049975724151484 ======================================== Energy: 0.9318567250785833 Energy: 0.8995635573966151 Energy: 0.9318567250785833 Energy: 0.8995635573958624 Energy: 0.931856725079336 Energy: 0.8995635573966151 Energy: 0.9910801627116198 Energy: 0.848975220966952 Energy: 0.9910801627116198 Energy: 0.848975220966952 Energy: 0.9910801627116198 Energy: 0.848975220966952 Energy: 0.9137621367558526 Energy: 0.9313384680160133 Energy: 0.9137621367566056 Energy: 0.9313384680167662 Energy: 0.9137621367566056 Energy: 0.9313384680167662 Energy: 0.9897179955329631 Energy: 0.8966816340862868 Energy: 0.9897179955352217 Energy: 0.8966816340862868 Energy: 0.9897179955367271 Energy: 0.8966816340862868 Energy: 0.8958915114769213 Energy: 0.9573621338421485 Energy: 0.8958915114761683 Energy: 0.9573621338413955 Energy: 0.89589151147391 Energy: 0.9573621338413955 Energy: 0.9386713670913182 Energy: 0.8710572164159509 Energy: 0.9386713670913182 Energy: 0.8710572164159509 Energy: 0.9386713670928236 Energy: 0.8710572164167036 Energy: 0.8814942008057264 Energy: 0.91535991066731 Energy: 0.8814942008072318 Energy: 0.91535991066731 Energy: 0.8814942008072318 Energy: 0.91535991066731 Energy: 0.8789832035480613 Energy: 0.9802020696210069 Energy: 0.8789832035488142 Energy: 0.9802020696195013 Energy: 0.8789832035488142 Energy: 0.9802020696187486 Energy: 0.9560645694062107 Energy: 0.9225979692314286 Energy: 0.9560645694054579 Energy: 0.9225979692314286 Energy: 0.9560645694062107 Energy: 0.9225979692314286 Energy: 0.841109752741436 Energy: 0.9692560077658608 Energy: 0.841109752741436 Energy: 0.9692560077636024 Energy: 0.841109752741436 Energy: 0.9692560077666136 Energy: 0.9228200502436429 Energy: 0.8664024288212389 Energy: 0.9228200502436429 Energy: 0.8664024288212389 Energy: 0.9228200502428902 Energy: 0.8664024288212389 Energy: 0.8472008173575257 Energy: 0.9097922613573646 Energy: 0.8472008173575257 Energy: 0.9097928355388496 Energy: 0.8472008173575257 Energy: 0.9097930648428614 Energy: 1.0052983077188697 Energy: 0.8266500215970672 Energy: 1.0052983077196225 Energy: 0.8266500215963145 Energy: 1.0052983077196225 Energy: 0.8266500215970672 Energy: 0.8787675198130194 Energy: 0.8883595148125506 Energy: 0.8787675198122666 Energy: 0.8883595148110451 Energy: 0.8787675198130194 Energy: 0.8883595148117979 Energy: 1.0247514739397994 Energy: 0.8490830847657281 Energy: 1.0247514739397994 Energy: 0.8490830847664811 Energy: 1.0247514739397994 Energy: 0.8490830847657281 Energy: 1.025468707372929 Energy: 0.9444347131721914 Energy: 1.025468707372929 Energy: 0.9444347131729441 Energy: 1.025468707372929 Energy: 0.9444347131714387 Energy: 0.9071498186637035 Energy: 0.9267720347548845 Energy: 0.9071498186637035 Energy: 0.9267720347556372 Energy: 0.9071498186637035 Energy: 0.9267720347548845 Energy: 0.9070891184850776 Energy: 0.8826636895247685 Energy: 0.907089118486583 Energy: 0.8826636895247685 Energy: 0.9070891184858303 Energy: 0.8826636895262742 Energy: 0.9160428811854883 Energy: 0.897791275576913 Energy: 0.9160428811854883 Energy: 0.8977912755776659 Energy: 0.9160428811854883 Energy: 0.8977912755776659 Energy: 0.9400251694044586 Energy: 0.8710067328288839 Energy: 0.9400251694037057 Energy: 0.8710067328296367 Energy: 0.9400251694052114 Energy: 0.8710067328296367 Energy: 0.8577038648348468 Energy: 0.9854815163254772 Energy: 0.8577038648498688 Energy: 0.9854815617132825 Energy: 0.8577038648348468 Energy: 0.985481908956528 Energy: 0.9334800416498741 Energy: 0.9177670896221831 Energy: 0.9334800416498741 Energy: 0.9177670896229358 Energy: 0.9334800416483685 Energy: 0.9177670896221831 Energy: 0.8402216366977634 Energy: 0.987765145392585 Energy: 0.8402216366977634 Energy: 0.9877651453918664 Energy: 0.8402216366985163 Energy: 0.9877651453933377 minimum gb energy = 0.8266500215963145 eV minimum distance = 2.2926612370291 Angstroms sigma value = 33 ======================================== theta = 22.84350731792459 ======================================== Energy: 0.9541424922142898 Energy: 0.9749917867285827 Energy: 0.921319706242029 Energy: 0.9749917867290109 Energy: 0.9541424922138616 Energy: 0.9749917867285827 Energy: 0.9741921410287844 Energy: 0.8951315490319722 Energy: 0.9741921410292127 Energy: 0.8951315490319722 Energy: 0.9741921410287844 Energy: 0.8951315490328288 Energy: 0.8668701878298023 Energy: 0.8898116927952552 Energy: 0.8668701878298023 Energy: 0.8898116927956835 Energy: 0.8668701878302305 Energy: 0.889811692794827 Energy: 0.9885032959406282 Energy: 0.9320123998100464 Energy: 0.9885032959414846 Energy: 0.932012399809618 Energy: 0.9885032959410565 Energy: 0.9320123998104746 Energy: 0.9130104933044312 Energy: 0.9366817553294425 Energy: 0.9130104933057157 Energy: 0.9366817553294425 Energy: 0.9130104933044312 Energy: 0.9366817553290145 Energy: 0.9070420387942127 Energy: 0.8564868219128945 Energy: 0.9070420387925 Energy: 0.8564868219128945 Energy: 0.9070420387937845 Energy: 0.8564868219128945 Energy: 0.9769309266474872 Energy: 0.9214319936603326 Energy: 0.9769309266479154 Energy: 0.9214319936616172 Energy: 0.9769309266474872 Energy: 0.9214319936616172 Energy: 0.8276558949396429 Energy: 0.9551368635981025 Energy: 0.8276558949392147 Energy: 0.9551368635981025 Energy: 0.8276558949392147 Energy: 0.9551368635976742 Energy: 0.8643378495103691 Energy: 0.8602982721152078 Energy: 0.8643378495095129 Energy: 0.8602982721152078 Energy: 0.8643378495090845 Energy: 0.8602982721152078 Energy: 0.8473024339345788 Energy: 0.9183751676282136 Energy: 0.8473027860172294 Energy: 0.918375167563128 Energy: 0.8473024339350071 Energy: 0.9183751679329331 Energy: 0.9017205688782248 Energy: 0.8543221837758783 Energy: 0.9017205688756557 Energy: 0.8543221837763065 Energy: 0.9017205688752273 Energy: 0.8543221837758783 Energy: 0.8698797653594402 Energy: 0.9019129885220402 Energy: 0.8698793506271003 Energy: 0.9019129885216118 Energy: 0.8698797653590119 Energy: 0.9019129885220402 Energy: 0.9237221950251638 Energy: 0.8584988415048974 Energy: 0.9237221950251638 Energy: 0.8584988415053257 Energy: 0.9237221950251638 Energy: 0.8584988415053257 Energy: 0.9303188919918164 Energy: 0.979997792002463 Energy: 0.9303188919918164 Energy: 0.979997792002463 Energy: 0.9303188919918164 Energy: 0.979997792002463 Energy: 0.9165900335249534 Energy: 0.8951084339709212 Energy: 0.916590033519815 Energy: 0.895108433968352 Energy: 0.9165900335193868 Energy: 0.8951084339709212 Energy: 0.8569466542128765 Energy: 0.8942360295338981 Energy: 0.8569466542128765 Energy: 0.8942360295343262 Energy: 0.8569466542124484 Energy: 0.8942360295347546 Energy: 0.9966030481357936 Energy: 0.9360572120066338 Energy: 0.9966030481353655 Energy: 0.9360572120074904 Energy: 0.9966030481353655 Energy: 0.9360572120070622 Energy: 0.9243103073281407 Energy: 0.8567880225448646 Energy: 0.9243103073281407 Energy: 0.8567880225444365 Energy: 0.9243103073281407 Energy: 0.8567880225444365 Energy: 0.9163189877054276 Energy: 0.8990705634989492 Energy: 0.9163189877054276 Energy: 0.8990705634993774 Energy: 0.9163189877054276 Energy: 0.8990705634989492 Energy: 0.9761980869268712 Energy: 0.9236226833911778 Energy: 0.9761980869272993 Energy: 0.9236226833911778 Energy: 0.9761980869260146 Energy: 0.9236226833907498 Energy: 0.827168553835174 Energy: 0.9573452149107661 Energy: 0.827168553834746 Energy: 0.9573452149120506 Energy: 0.827168553835174 Energy: 0.9573452149111941 Energy: 0.8891623802970543 Energy: 0.8677963242597551 Energy: 0.8891623802970543 Energy: 0.8677963242597551 Energy: 0.8891623802966261 Energy: 0.8677963242597551 Energy: 0.849265210223645 Energy: 0.9190846482066217 Energy: 0.8492922526325052 Energy: 0.9190846483140599 Energy: 0.8492652102240732 Energy: 0.9190846481154551 Energy: 0.9811324818189436 Energy: 0.9171959717163608 Energy: 0.9811324818176591 Energy: 0.9171959717163608 Energy: 0.9811324818155182 Energy: 0.9171959717163608 Energy: 0.8666377078323417 Energy: 0.9078419511339778 Energy: 0.8665498333380649 Energy: 0.9078419511344061 Energy: 0.8666377078336264 Energy: 0.9078419511348343 Energy: 0.9548578407830491 Energy: 0.9596850331736798 Energy: 0.9218551937666406 Energy: 0.9596850331732516 Energy: 0.954857840784762 Energy: 0.9596850331728233 Energy: 0.9544553537060448 Energy: 0.9406355021825481 Energy: 0.9216825706138085 Energy: 0.9406355021825481 Energy: 0.9544553537069012 Energy: 0.9406355021825481 Energy: 0.862381507181306 Energy: 0.8637989916024573 Energy: 0.862381507181734 Energy: 0.8637989916016009 Energy: 0.8623815071808778 Energy: 0.8637989916024573 Energy: 0.9172375669012692 Energy: 0.8845355849646194 Energy: 0.9172375662031939 Energy: 0.8845355849650476 Energy: 0.9172375650415777 Energy: 0.8845355849650476 Energy: 0.8553189960333888 Energy: 0.9002465114044472 Energy: 0.8553189960329606 Energy: 0.9002465114057319 Energy: 0.8553189960329606 Energy: 0.9002465114057319 Energy: 0.9257611237314627 Energy: 0.8605599127836658 Energy: 0.925761123655711 Energy: 0.8605599127836658 Energy: 0.9257611236261656 Energy: 0.8605599127836658 Energy: 0.8580601408541831 Energy: 0.9487029039620605 Energy: 0.8580601408537551 Energy: 0.9487029039612042 Energy: 0.8580601408541831 Energy: 0.9487029039620605 Energy: 0.9763798191662706 Energy: 0.9236464715234238 Energy: 0.9763798191662706 Energy: 0.9236464715234238 Energy: 0.9763798191666988 Energy: 0.9236464715238522 Energy: 0.8968478804563925 Energy: 0.9165704179618409 Energy: 0.8968478804555362 Energy: 0.916570417963982 Energy: 0.8968478804559645 Energy: 0.9165704179609847 Energy: 0.8956309150048564 Energy: 0.8565857200000545 Energy: 0.8956309150044282 Energy: 0.8565857200000545 Energy: 0.8956309150044282 Energy: 0.8565857200000545 Energy: 0.9409133864081911 Energy: 0.9910697260159004 Energy: 0.9409133864086193 Energy: 0.9910697260163286 Energy: 0.9409133864081911 Energy: 0.9910697260159004 Energy: 0.8571086773083944 Energy: 0.9240565012921304 Energy: 0.8571035985391332 Energy: 0.9240565012908458 Energy: 0.8571086773083944 Energy: 0.9240565012912741 Energy: 0.9001068007553292 Energy: 0.9107642259193162 Energy: 0.9001068007557573 Energy: 0.9107642259197444 Energy: 0.9001068007553292 Energy: 0.9107642259184597 Energy: 0.9300710552408661 Energy: 0.9796700741377362 Energy: 0.9300710552408661 Energy: 0.979670074137308 Energy: 0.9300710552408661 Energy: 0.9796700741381645 Energy: 0.9568483905806979 Energy: 0.826942204709294 Energy: 0.9568483905815541 Energy: 0.8269422047088659 Energy: 0.9568483905815541 Energy: 0.826942204709294 Energy: 0.8698508346102699 Energy: 0.8637629115599089 Energy: 0.8698508346102699 Energy: 0.8637629115599089 Energy: 0.8698508346106981 Energy: 0.8637629115599089 minimum gb energy = 0.8269422047088659 eV minimum distance = 2.39039771654115 Angstroms sigma value = 51 ======================================== theta = 26.525352016609688 ======================================== Energy: 0.9259295101335682 Energy: 0.9386965031059542 Energy: 0.9259295101335682 Energy: 0.9386965031059542 Energy: 0.9259295101335682 Energy: 0.9386965031079385 Energy: 0.9920706521850519 Energy: 0.8980292614364782 Energy: 0.9920706521850519 Energy: 0.8980292614364782 Energy: 0.9920706521850519 Energy: 0.8980292614364782 Energy: 0.8858176838260405 Energy: 0.9219914682827178 Energy: 0.8858176838270329 Energy: 0.9219914682827178 Energy: 0.8858176838270329 Energy: 0.9219914682827178 Energy: 0.9190608000011418 Energy: 0.8574361617160468 Energy: 0.9190608000011418 Energy: 0.8574361617160468 Energy: 0.9190608000001496 Energy: 0.8574361617170388 Energy: 0.9483156945558564 Energy: 0.8971591484865443 Energy: 0.9483156945548644 Energy: 0.8971591484865443 Energy: 0.9483156945558564 Energy: 0.8971591484865443 Energy: 0.9468699911517384 Energy: 0.8967396774388581 Energy: 0.9468699911537227 Energy: 0.8967396774388581 Energy: 0.9468699911527306 Energy: 0.8967396774398503 Energy: 0.9042026924806527 Energy: 0.8967926969073575 Energy: 0.9042026924806527 Energy: 0.8967926969073575 Energy: 0.9042026924806527 Energy: 0.8967926969083496 Energy: 0.8695075694150374 Energy: 0.8983002574464013 Energy: 0.8695075694140452 Energy: 0.8983002574464013 Energy: 0.8695075694150374 Energy: 0.8983002574464013 Energy: 1.0498386831403703 Energy: 0.8542452252277525 Energy: 1.0498386831393782 Energy: 0.8542452252277525 Energy: 1.0498386831403703 Energy: 0.8542452252277525 Energy: 0.8721316801873663 Energy: 1.0533539224508355 Energy: 0.8721316801863744 Energy: 1.0533539224498432 Energy: 0.8721316801873663 Energy: 1.0533539224508355 Energy: 0.996846739498501 Energy: 0.8513748297677483 Energy: 0.996846739498501 Energy: 0.8513748297687403 Energy: 0.996846739498501 Energy: 0.8513748297687403 Energy: 0.9238331413975989 Energy: 0.9411888480402196 Energy: 0.9238331413975989 Energy: 0.9411888480412117 Energy: 0.9238331413966067 Energy: 0.9411888480402196 Energy: 0.9888631528881366 Energy: 0.8986683265409475 Energy: 0.9888625974143974 Energy: 0.8986683265419396 Energy: 0.9888625980688823 Energy: 0.8986683265419396 Energy: 0.8859873014923695 Energy: 0.8848486592499373 Energy: 0.8859873014933616 Energy: 0.884848659247953 Energy: 0.8859873014933616 Energy: 0.8848486592499373 Energy: 0.9186897442741333 Energy: 0.9280277097710653 Energy: 0.9186897442741333 Energy: 0.9280277097710653 Energy: 0.9186897442741333 Energy: 0.9280277097710653 Energy: 0.947121108111291 Energy: 0.8966330765624136 Energy: 0.9471211081122832 Energy: 0.8966330765634056 Energy: 0.947121108111291 Energy: 0.8966330765624136 Energy: 0.9493557185493239 Energy: 0.961336281548907 Energy: 0.949355718550316 Energy: 0.9613362815608124 Energy: 0.9493557185493239 Energy: 0.9613362817036329 Energy: 0.9152794030936431 Energy: 0.9011673462865741 Energy: 0.9152794030946352 Energy: 0.9011673462865741 Energy: 0.9152794030936431 Energy: 0.9011673462875663 minimum gb energy = 0.8513748297677483 eV minimum distance = 2.29228091576421 Angstroms sigma value = 19 ======================================== theta = 31.586338096527925 ======================================== Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.7981158044732221 Energy: 0.8080323927824681 Energy: 0.7981158044732221 Energy: 0.8080323927824681 Energy: 0.8959351696169295 Energy: 0.9254302254711039 Energy: 0.8959351696163411 Energy: 0.9254302254681616 Energy: 0.8959351696163411 Energy: 0.9254302254699269 Energy: 0.7639617283421366 Energy: 0.9234649458334494 Energy: 0.7639617283421366 Energy: 0.9234649458334494 Energy: 0.7639617283415482 Energy: 0.9234649458334494 Energy: 0.8340985793778417 Energy: 0.7640094110699029 Energy: 0.8340985793772533 Energy: 0.7640094110699029 Energy: 0.8340985793778417 Energy: 0.7640094110704914 Energy: 0.7857099129657593 Energy: 0.7945673612865964 Energy: 0.7857099129657593 Energy: 0.7945673612865964 Energy: 0.7857099129663477 Energy: 0.7945673612877736 Energy: 0.7856077322159334 Energy: 0.7946020602157813 Energy: 0.7856077322165219 Energy: 0.7946020602157813 Energy: 0.7856077322159334 Energy: 0.7946020602163697 Energy: 0.8341606253144979 Energy: 0.764017393284545 Energy: 0.8341606253144979 Energy: 0.7640173932839566 Energy: 0.8341606253144979 Energy: 0.764017393284545 Energy: 0.7639591658479215 Energy: 0.9234718343861941 Energy: 0.76395916584851 Energy: 0.9234718343861941 Energy: 0.76395916584851 Energy: 0.9234718343867825 Energy: 0.8945778289257195 Energy: 0.9253012605788574 Energy: 0.8945778289257195 Energy: 0.9253012605782689 Energy: 0.894577828925131 Energy: 0.9253012605782689 Energy: 0.7981158044732221 Energy: 0.8080323927818795 Energy: 0.7981158044732221 Energy: 0.8080323927824681 Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.8959351696163411 Energy: 0.9254302254705156 Energy: 0.8959351696169295 Energy: 0.9254302254699269 Energy: 0.8959351696163411 Energy: 0.9254302254705156 Energy: 0.7639617283421366 Energy: 0.9234649458334494 Energy: 0.7639617283421366 Energy: 0.9234649458334494 Energy: 0.7639617283415482 Energy: 0.9234649458340379 Energy: 0.8340985793772533 Energy: 0.7640094110699029 Energy: 0.8340985793772533 Energy: 0.7640094110704914 Energy: 0.8340985793772533 Energy: 0.7640094110699029 Energy: 0.7857099129663477 Energy: 0.7945673612871851 Energy: 0.7857099129657593 Energy: 0.7945673612877736 Energy: 0.7857099129657593 Energy: 0.7945673612877736 Energy: 0.7856077322165219 Energy: 0.7946020602157813 Energy: 0.7856077322165219 Energy: 0.7946020602163697 Energy: 0.7856077322159334 Energy: 0.7946020602157813 Energy: 0.8341606253139096 Energy: 0.7640173932851335 Energy: 0.8341606253144979 Energy: 0.7640173932833679 Energy: 0.8341606253139096 Energy: 0.7640173932839566 Energy: 0.7639591658473329 Energy: 0.9234718343861941 Energy: 0.76395916584851 Energy: 0.9234718343861941 Energy: 0.76395916584851 Energy: 0.9234718343861941 Energy: 0.894577828927485 Energy: 0.9253012605788574 Energy: 0.894577828925131 Energy: 0.9253012605782689 Energy: 0.8945778289257195 Energy: 0.9253012605782689 Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.8959351696175181 Energy: 0.9254302254705156 Energy: 0.8959351696163411 Energy: 0.9254302254711039 Energy: 0.8959351696175181 Energy: 0.9254302254687502 Energy: 0.7639617283415482 Energy: 0.9234649458334494 Energy: 0.7639617283415482 Energy: 0.9234649458334494 Energy: 0.7639617283421366 Energy: 0.9234649458334494 Energy: 0.8340985793772533 Energy: 0.7640094110704914 Energy: 0.8340985793778417 Energy: 0.7640094110704914 Energy: 0.8340985793778417 Energy: 0.7640094110704914 Energy: 0.7857099129663477 Energy: 0.7945673612871851 Energy: 0.7857099129663477 Energy: 0.7945673612877736 Energy: 0.7857099129651708 Energy: 0.7945673612883621 Energy: 0.7856077322165219 Energy: 0.7946020602169316 Energy: 0.7856077322159334 Energy: 0.7946020602163697 Energy: 0.7856077322165219 Energy: 0.7946020602169316 Energy: 0.8341606253139096 Energy: 0.764017393284545 Energy: 0.8341606253139096 Energy: 0.7640173932839566 Energy: 0.8341606253139096 Energy: 0.7640173932839566 Energy: 0.7639591658479215 Energy: 0.9234718343867825 Energy: 0.7639591658479215 Energy: 0.9234718343861941 Energy: 0.7639591658479215 Energy: 0.9234718343867825 Energy: 0.8945778289280735 Energy: 0.9253012605782689 Energy: 0.894577828925131 Energy: 0.9253012605782689 Energy: 0.894577828925131 Energy: 0.9253012605782689 Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.7981158044738106 Energy: 0.8080323927818795 Energy: 0.7981158044738106 Energy: 0.8080323927824681 Energy: 0.8959351696163411 Energy: 0.9254302254711039 Energy: 0.8959351696163411 Energy: 0.9254302254711039 Energy: 0.8959351696175181 Energy: 0.9254302254705156 Energy: 0.7639617283421366 Energy: 0.9234649458334494 Energy: 0.7639617283421366 Energy: 0.9234649458340379 Energy: 0.7639617283421366 Energy: 0.9234649458334494 minimum gb energy = 0.7639591658473329 eV minimum distance = 2.30374034683113 Angstroms sigma value = 27 ======================================== theta = 38.94244126898138 ======================================== Energy: 0.7662241311193175 Energy: 0.7456147074645991 Energy: 0.7662241311193175 Energy: 0.7456147074645991 Energy: 0.7662241311193175 Energy: 0.7456147074645991 Energy: 0.8585565528466386 Energy: 0.7748126176695183 Energy: 0.8585565528466386 Energy: 0.7748126176680766 Energy: 0.8585565528466386 Energy: 0.7748126176680766 Energy: 0.7791200484217925 Energy: 0.847227726053444 Energy: 0.7791200484232339 Energy: 0.8472277260548855 Energy: 0.7791200484232339 Energy: 0.847227726053444 Energy: 0.8271845173126167 Energy: 0.7239749118708928 Energy: 0.8271845173126167 Energy: 0.7239749118694513 Energy: 0.8271845173126167 Energy: 0.7239749118694513 Energy: 0.8334918393148544 Energy: 0.7238355594255788 Energy: 0.8334918393148544 Energy: 0.7238355594255788 Energy: 0.8334918393148544 Energy: 0.7238355594255788 Energy: 0.8501860582393928 Energy: 0.8825370983823105 Energy: 0.8501860582393928 Energy: 0.8825370983808689 Energy: 0.8501860582393928 Energy: 0.8825370983808689 Energy: 0.7966735853947502 Energy: 0.7786581559246015 Energy: 0.7966735853961918 Energy: 0.7786581559246015 Energy: 0.7966735853947502 Energy: 0.77865815592316 Energy: 0.7627707778450649 Energy: 0.7450277000530541 Energy: 0.7627707778465065 Energy: 0.7450277000573786 Energy: 0.7627707778465065 Energy: 0.7450277000674691 Energy: 0.8553106212913737 Energy: 0.777887026821168 Energy: 0.8553106212913737 Energy: 0.7778870268903282 Energy: 0.8553106212913737 Energy: 0.7778870267880129 Energy: 0.82530748225014 Energy: 0.8589605824949488 Energy: 0.82530748225014 Energy: 0.8589605824949488 Energy: 0.82530748225014 Energy: 0.8589605824935073 Energy: 0.7760704558576909 Energy: 0.7251138668434585 Energy: 0.7760704558591324 Energy: 0.7251138668434585 Energy: 0.77607045588793 Energy: 0.7251138668434585 Energy: 0.8810476080939038 Energy: 0.8105182451318765 Energy: 0.8810476080939038 Energy: 0.8105182451318765 Energy: 0.8810476080953454 Energy: 0.8105182451318765 minimum gb energy = 0.7238355594255788 eV minimum distance = 2.28658110295726 Angstroms sigma value = 9 ======================================== theta = 44.00342734889962 ======================================== Energy: 0.7315504639621148 Energy: 0.6975917726876896 Energy: 0.7315504639617098 Energy: 0.6975917726889046 Energy: 0.7315504639617098 Energy: 0.6975917726901197 Energy: 0.7106410741559317 Energy: 0.6430920045782645 Energy: 0.710641074158362 Energy: 0.6430920045778594 Energy: 0.7106410741611972 Energy: 0.7034206829195694 Energy: 0.6639233587281286 Energy: 0.8321243799040707 Energy: 0.6639233587285336 Energy: 0.8321243799036657 Energy: 0.6639233587281286 Energy: 0.8321243799040707 Energy: 0.6748176422778895 Energy: 0.6505498961516084 Energy: 0.6748176422795097 Energy: 0.6505498729564058 Energy: 0.6748176422791047 Energy: 0.6505499267082354 Energy: 0.7091699969407078 Energy: 0.6897627627466092 Energy: 0.709169996942733 Energy: 0.6897627627466092 Energy: 0.7091699969431381 Energy: 0.6897627627470142 Energy: 0.715443856839985 Energy: 0.7018407309061824 Energy: 0.715443856839175 Energy: 0.7018407269195972 Energy: 0.7154438568383649 Energy: 0.7018407298215796 Energy: 0.6808926646717733 Energy: 0.719137927449726 Energy: 0.6808926646721783 Energy: 0.7191379274513463 Energy: 0.6808926646681279 Energy: 0.7191379274525613 Energy: 0.6374576334010472 Energy: 0.8087228836137598 Energy: 0.6374576334010472 Energy: 0.8087228836137598 Energy: 0.6374576334006422 Energy: 0.8087228836133548 Energy: 0.7361203517531902 Energy: 0.6895932948417772 Energy: 0.7361203517531902 Energy: 0.6895932948417772 Energy: 0.7361203517527852 Energy: 0.6895932948425872 Energy: 0.7307436484754267 Energy: 0.7309389742060735 Energy: 0.7307436484754267 Energy: 0.7309389741850117 Energy: 0.7307436484762366 Energy: 0.730938974213364 Energy: 0.6742555996498583 Energy: 0.6577055575635932 Energy: 0.674255599632442 Energy: 0.6577055575639982 Energy: 0.6742555996283917 Energy: 0.6577055575639982 Energy: 0.6859258891297126 Energy: 0.696614447901553 Energy: 0.6859258891297126 Energy: 0.696614447902363 Energy: 0.6859258891297126 Energy: 0.6966144479031731 Energy: 0.7010706923550583 Energy: 0.6970982625242602 Energy: 0.7010706927514008 Energy: 0.6970982625242602 Energy: 0.7010706916097252 Energy: 0.6970982625258801 Energy: 0.7264929160263864 Energy: 0.8185833999841661 Energy: 0.7264929160267914 Energy: 0.8185833999845712 Energy: 0.7264929160267914 Energy: 0.8185833999849762 Energy: 0.6644186447856096 Energy: 0.7120490811799313 Energy: 0.6644186447860146 Energy: 0.712049081177906 Energy: 0.6644186447852046 Energy: 0.7120490811783111 Energy: 0.6142439867484004 Energy: 0.7136385558382189 Energy: 0.6142439867475904 Energy: 0.7136385558386239 Energy: 0.6142439867488054 Energy: 0.7136385558382189 Energy: 0.8824189451838803 Energy: 0.6505702772914885 Energy: 0.8824189451842854 Energy: 0.6505702772931087 Energy: 0.8824189451838803 Energy: 0.6505702772922987 Energy: 0.6727229588955883 Energy: 0.6911786405000614 Energy: 0.6727229588955883 Energy: 0.6911786404976312 Energy: 0.6727229588955883 Energy: 0.6911786405012765 Energy: 0.6338542903018957 Energy: 0.8639681910135913 Energy: 0.6338542903035158 Energy: 0.8639681910135913 Energy: 0.6338542903075662 Energy: 0.8639681910103513 Energy: 0.9848224034131179 Energy: 0.6666752945575063 Energy: 0.984822403413928 Energy: 0.6666752945579113 Energy: 0.984822403413928 Energy: 0.6666752945579113 Energy: 0.6338416817002366 Energy: 0.8634369307526348 Energy: 0.6338416816994266 Energy: 0.8634369307530398 Energy: 0.6338416817010467 Energy: 0.8634369307510147 Energy: 0.6730409012228161 Energy: 0.6911590296631788 Energy: 0.6730409012260564 Energy: 0.6911590296631788 Energy: 0.6730409012244363 Energy: 0.6911590296643938 Energy: 0.8824063680064643 Energy: 0.6504131913883477 Energy: 0.8824063680056542 Energy: 0.6504131913879426 Energy: 0.8824063680060593 Energy: 0.6504131913891577 Energy: 0.61459735911176 Energy: 0.7138003610234694 Energy: 0.6145973591113552 Energy: 0.7138003610194192 Energy: 0.6145973591125701 Energy: 0.7138003610222543 Energy: 0.6644383391795776 Energy: 0.7123160815706658 Energy: 0.6644383391787675 Energy: 0.712316081571476 Energy: 0.6644383391787675 Energy: 0.712316081571071 Energy: 0.7265824834691992 Energy: 0.828031232706782 Energy: 0.7265824834708192 Energy: 0.828031232706377 Energy: 0.7265824834635287 Energy: 0.828031232706782 Energy: 0.70159495107428 Energy: 0.6969230130223445 Energy: 0.7015949510564955 Energy: 0.6969230130191043 Energy: 0.7015949510633811 Energy: 0.6969230130093835 Energy: 0.6858464410485804 Energy: 0.6966752053842638 Energy: 0.6858464410489855 Energy: 0.6966752053842638 Energy: 0.6858464410485804 Energy: 0.6966752053850738 Energy: 0.6762354779600315 Energy: 0.6572897422464419 Energy: 0.6762354779604366 Energy: 0.657289742246847 Energy: 0.6762354779600315 Energy: 0.657289742246847 Energy: 0.7307348860783033 Energy: 0.6661095893617742 Energy: 0.7307348860783033 Energy: 0.6661095893670397 Energy: 0.7307348860778983 Energy: 0.6661095893702801 Energy: 0.7362353123307489 Energy: 0.6899723615763581 Energy: 0.7362353123307489 Energy: 0.6899723615767632 Energy: 0.7362353123299388 Energy: 0.6899723615771682 Energy: 0.637465210880561 Energy: 0.8088580627979429 Energy: 0.637465210880966 Energy: 0.8088580627979429 Energy: 0.637465210881371 Energy: 0.808858062798348 Energy: 0.6808360315348773 Energy: 0.7189032366690895 Energy: 0.6808360315344723 Energy: 0.7189032366698995 Energy: 0.6808360315304218 Energy: 0.7189032366690895 Energy: 0.7154741360483842 Energy: 0.7021827708121212 Energy: 0.7154741351500227 Energy: 0.7021827708121212 Energy: 0.7154741360354231 Energy: 0.7021827708117162 Energy: 0.7090317710643289 Energy: 0.6896645218272319 Energy: 0.7090317710643289 Energy: 0.6896645218264218 Energy: 0.7090317710647339 Energy: 0.6896645218272319 Energy: 0.6750126665357796 Energy: 0.6508051450890026 Energy: 0.6750126665349696 Energy: 0.6508051450881924 Energy: 0.6750126665353746 Energy: 0.6508051450885975 Energy: 0.6638073273434322 Energy: 0.8324597723023976 Energy: 0.6638073273434322 Energy: 0.8324597723019926 Energy: 0.6638073273434322 Energy: 0.8324597723015875 Energy: 0.7109909429931736 Energy: 0.6421099615958361 Energy: 0.7109909429794393 Energy: 0.6421099615954311 Energy: 0.7109909429770092 Energy: 0.6421099615966462 Energy: 0.7315504639617098 Energy: 0.6975917726901197 Energy: 0.7315504639617098 Energy: 0.6975917726893096 Energy: 0.7315504639617098 Energy: 0.6975917726908929 Energy: 0.7106410741506662 Energy: 0.6651809696403458 Energy: 0.7106410741522864 Energy: 0.6651809696403458 Energy: 0.7106410741543115 Energy: 0.6561432117160577 Energy: 0.6639233587281286 Energy: 0.8321243799044756 Energy: 0.6639233587281286 Energy: 0.8321243799036657 Energy: 0.6639233587277235 Energy: 0.8321243799036657 Energy: 0.6748176422799147 Energy: 0.6505499523759022 Energy: 0.6748176422786997 Energy: 0.6505499900429441 Energy: 0.6748176422782947 Energy: 0.6505499079461843 Energy: 0.709169996942328 Energy: 0.6897627627470142 Energy: 0.709169996942328 Energy: 0.6897627627478242 Energy: 0.709169996943948 Energy: 0.6897627627466092 minimum gb energy = 0.6142439867475904 eV minimum distance = 2.34324034132252 Angstroms sigma value = 57 ======================================== theta = 50.47880364135782 ======================================== Energy: 0.3063620312600123 Energy: 0.31414396628306024 Energy: 0.3063620312600123 Energy: 0.31414396628306024 Energy: 0.3063620312600123 Energy: 0.31414396628306024 Energy: 0.3903263202812582 Energy: 0.42824591475299834 Energy: 0.3903263202812582 Energy: 0.42824591475207624 Energy: 0.3903263202821802 Energy: 0.42824591475207624 Energy: 0.34553139387782594 Energy: 0.38460397252797307 Energy: 0.345531393878748 Energy: 0.38460397252612905 Energy: 0.345531393878748 Energy: 0.38460397252889506 Energy: 0.31580824764106064 Energy: 0.30619313132504417 Energy: 0.31580824764106064 Energy: 0.30619313132504417 Energy: 0.31580824764106064 Energy: 0.30619313132504417 Energy: 0.39162643416420306 Energy: 0.3914782714344867 Energy: 0.39162643416420306 Energy: 0.3914782714335648 Energy: 0.39162643416420306 Energy: 0.3914782714335648 Energy: 0.3064478915309544 Energy: 0.3468643339047084 Energy: 0.3064478915309544 Energy: 0.3468643339047084 Energy: 0.3064478915309544 Energy: 0.3468643339047084 Energy: 0.3064551626579866 Energy: 0.3472153747895158 Energy: 0.3064551626579866 Energy: 0.3472153747904378 Energy: 0.3064551626579866 Energy: 0.34721537479135983 Energy: 0.3916441458138251 Energy: 0.3914920733954502 Energy: 0.3916441458138251 Energy: 0.3914920733954502 Energy: 0.3916441458138251 Energy: 0.3914920733954502 Energy: 0.315780373182602 Energy: 0.30623592264734983 Energy: 0.315780373182602 Energy: 0.3062359226482719 Energy: 0.315780373182602 Energy: 0.3062359226482719 Energy: 0.3476201948194249 Energy: 0.38461716497966336 Energy: 0.3476201948194249 Energy: 0.38461716497966336 Energy: 0.3476201948194249 Energy: 0.38461716497966336 Energy: 0.38988440233336996 Energy: 0.42820024365035125 Energy: 0.38988440233336996 Energy: 0.42820024365035125 Energy: 0.389884402332448 Energy: 0.4282002436494292 Energy: 0.3063620312600123 Energy: 0.31414396628306024 Energy: 0.3063620312600123 Energy: 0.31414396628306024 Energy: 0.3063620312600123 Energy: 0.31414396628306024 Energy: 0.3903263202821802 Energy: 0.42824591475299834 Energy: 0.3903263202812582 Energy: 0.42824591475299834 Energy: 0.3903263202821802 Energy: 0.42824591475299834 Energy: 0.34553139387782594 Energy: 0.38460397252612905 Energy: 0.345531393878748 Energy: 0.38460397252520706 Energy: 0.34553139387782594 Energy: 0.38460397252520706 Energy: 0.31580824764106064 Energy: 0.30619313132504417 Energy: 0.31580824764106064 Energy: 0.30619313132504417 Energy: 0.31580824764106064 Energy: 0.30619313132504417 Energy: 0.39162643416420306 Energy: 0.3914782714344867 Energy: 0.39162643416420306 Energy: 0.3914782714335648 Energy: 0.39162643416420306 Energy: 0.3914782714335648 Energy: 0.3064478915309544 Energy: 0.34686433390563043 Energy: 0.3064478915309544 Energy: 0.34686433390563043 Energy: 0.3064478915309544 Energy: 0.34686433390563043 Energy: 0.3064551626579866 Energy: 0.3472153747904378 Energy: 0.30645516265890865 Energy: 0.3472153747904378 Energy: 0.3064551626579866 Energy: 0.3472153747904378 Energy: 0.3916441458138251 Energy: 0.3914920733954502 Energy: 0.3916441458138251 Energy: 0.3914920733954502 Energy: 0.3916441458138251 Energy: 0.3914920733954502 minimum gb energy = 0.30619313132504417 eV minimum distance = 2.44511385826097 Angstroms sigma value = 11 ======================================== theta = 55.8767054592047 ======================================== Energy: 0.626540633331956 Energy: 0.7117014777839694 Energy: 0.6265406333326313 Energy: 0.7117014777826187 Energy: 0.6265406333326313 Energy: 0.7117014777839694 Energy: 0.7283593418930754 Energy: 0.6223101896962676 Energy: 0.7283593418937507 Energy: 0.6223101896955923 Energy: 0.7283593418951015 Energy: 0.6223101896955923 Energy: 0.6408619100534604 Energy: 0.6496829345180364 Energy: 0.6408619100521095 Energy: 0.6496829345187117 Energy: 0.6408619100541357 Energy: 0.6496829345200625 Energy: 0.6661518825914042 Energy: 0.5660278905317943 Energy: 0.666151882592755 Energy: 0.5660278905324696 Energy: 0.666151882592755 Energy: 0.566027890533145 Energy: 0.6921696330798929 Energy: 0.5400109379997413 Energy: 0.6921696330798929 Energy: 0.540010938001092 Energy: 0.6921696330792175 Energy: 0.5400109380004167 Energy: 0.6752825902254008 Energy: 0.5599842736515361 Energy: 0.6752825902254008 Energy: 0.5599842736522115 Energy: 0.6752825902260762 Energy: 0.5599842736508607 Energy: 0.5500364388959599 Energy: 0.5988604955082738 Energy: 0.5500364388966354 Energy: 0.5988604955069232 Energy: 0.5500364388959599 Energy: 0.5988604955082738 Energy: 0.7270018006569977 Energy: 0.5191660475618782 Energy: 0.7270018006563224 Energy: 0.5191660475625536 Energy: 0.7270018006563224 Energy: 0.5191660475618782 Energy: 0.7260811734168011 Energy: 0.5216334442414217 Energy: 0.7260811734174765 Energy: 0.5216334442407463 Energy: 0.7260811734174765 Energy: 0.5216334442407463 Energy: 0.5311861015116336 Energy: 0.59521081978686 Energy: 0.5311861015109582 Energy: 0.5952108197861844 Energy: 0.5311861015116336 Energy: 0.5952108197841585 Energy: 0.6890104374449605 Energy: 0.6879034566846514 Energy: 0.6890104374449605 Energy: 0.6879034566839759 Energy: 0.6890104374449605 Energy: 0.6879034566846514 Energy: 0.5607587380205463 Energy: 0.5418495201675623 Energy: 0.5607587380178448 Energy: 0.5418495201675623 Energy: 0.5607587380178448 Energy: 0.5418495201675623 Energy: 0.7477465430157801 Energy: 0.5696503679112098 Energy: 0.7477465430157801 Energy: 0.569650367909859 Energy: 0.7477465430151049 Energy: 0.5696503679105344 Energy: 0.7882729889058635 Energy: 0.7990103205843315 Energy: 0.7882729889058635 Energy: 0.7990103205836561 Energy: 0.7882729889058635 Energy: 0.7990103205843315 Energy: 0.7277689184221517 Energy: 0.6497651484495058 Energy: 0.7277689184221517 Energy: 0.6497651484495058 Energy: 0.7277689184214764 Energy: 0.6497651484501813 Energy: 0.594328167216506 Energy: 0.6470461783261539 Energy: 0.5943281672171814 Energy: 0.6470461783261539 Energy: 0.594328167216506 Energy: 0.6470461783261539 Energy: 0.6418518154733559 Energy: 0.5576781675550819 Energy: 0.6418518154740314 Energy: 0.5576781675564326 Energy: 0.6418518154747066 Energy: 0.5576781675557572 Energy: 0.9086547239321167 Energy: 0.6340694693042269 Energy: 0.9086547239314412 Energy: 0.6340694693022009 Energy: 0.9086547239321167 Energy: 0.6340694693062531 Energy: 0.6678131095326492 Energy: 0.5636953211943408 Energy: 0.6678131095333244 Energy: 0.5636953211936655 Energy: 0.6678131095319736 Energy: 0.5636953211943408 Energy: 0.5608857631962718 Energy: 0.6480909100810577 Energy: 0.5608857631969472 Energy: 0.6480909100810577 Energy: 0.5608857631962718 Energy: 0.6480909100810577 Energy: 0.5315719802348525 Energy: 0.5613621860602138 Energy: 0.5315719802335018 Energy: 0.5613621860602138 Energy: 0.5315719802335018 Energy: 0.5613621860602138 Energy: 0.5748864074333225 Energy: 0.5978916941747806 Energy: 0.5748864074339979 Energy: 0.5978916941727545 Energy: 0.5748864074346732 Energy: 0.5978916941727545 Energy: 0.6396604243530202 Energy: 0.6570617712477265 Energy: 0.6396604243530202 Energy: 0.6570617712490773 Energy: 0.6396604243530202 Energy: 0.6570617712484018 Energy: 0.6591190380740942 Energy: 0.6147870290319277 Energy: 0.6591190380747697 Energy: 0.6147870290319277 Energy: 0.6591190380734189 Energy: 0.6147870290319277 Energy: 0.5320898032665702 Energy: 0.5974792978079737 Energy: 0.5320898032665702 Energy: 0.5974792978106752 Energy: 0.5320898032672455 Energy: 0.5974792978086491 Energy: 0.8102703885352492 Energy: 0.6883629240168346 Energy: 0.8102703885352492 Energy: 0.6883629240154839 Energy: 0.8102703885359245 Energy: 0.6883629240148085 minimum gb energy = 0.5191660475618782 eV minimum distance = 2.35849778012258 Angstroms sigma value = 41 ======================================== theta = 58.99241699313286 ======================================== Energy: 0.7028631097212366 Energy: 0.6049267763032723 Energy: 0.7028631097217689 Energy: 0.6049267763032723 Energy: 0.7028631097217689 Energy: 0.6049267763038045 Energy: 0.791032942719308 Energy: 0.7700324611149365 Energy: 0.791032942719308 Energy: 0.7700324611149365 Energy: 0.791032942719308 Energy: 0.7700324611154689 Energy: 0.6984794512234413 Energy: 0.7274943986302829 Energy: 0.6984794512223768 Energy: 0.7274943986292183 Energy: 0.6984794512218444 Energy: 0.7274943986302829 Energy: 0.6484412675804448 Energy: 0.6011657135820293 Energy: 0.6484412675809772 Energy: 0.6011657135820293 Energy: 0.648441267585768 Energy: 0.6011657135825618 Energy: 0.5835912054240271 Energy: 0.6307373975219448 Energy: 0.5835912054240271 Energy: 0.6307373975219448 Energy: 0.5835912054240271 Energy: 0.6307373975219448 Energy: 0.7887978072492595 Energy: 0.7819593679663767 Energy: 0.7887978072492595 Energy: 0.7819593679663767 Energy: 0.7887978072492595 Energy: 0.7819593679658444 Energy: 0.6006426000391961 Energy: 0.8540740403209143 Energy: 0.6006426000397284 Energy: 0.8540740403209143 Energy: 0.6006426000391961 Energy: 0.854074040320382 Energy: 0.5828558129948284 Energy: 0.6007657059349765 Energy: 0.5828558129942959 Energy: 0.6007657059344442 Energy: 0.5828558129948284 Energy: 0.6007657059344442 Energy: 0.5978786432739579 Energy: 0.623500363295612 Energy: 0.5978786432739579 Energy: 0.6235003632950795 Energy: 0.5978786432739579 Energy: 0.623500363295612 Energy: 0.6471607260166461 Energy: 0.67217262952974 Energy: 0.6471607260171783 Energy: 0.6721726295308047 Energy: 0.6471607260171783 Energy: 0.6721726295292078 Energy: 0.6438606060256287 Energy: 0.6715245066689637 Energy: 0.6438606060256287 Energy: 0.6715245066689637 Energy: 0.6438606060256287 Energy: 0.6715245066684314 Energy: 0.5764532245400547 Energy: 0.7724586999709827 Energy: 0.5764532245400547 Energy: 0.7724586999709827 Energy: 0.5764532245400547 Energy: 0.772458699971515 Energy: 0.5835654018591738 Energy: 0.5966935654438903 Energy: 0.5835654018597062 Energy: 0.5966935654438903 Energy: 0.5835654018591738 Energy: 0.5966935654438903 Energy: 0.5624390584829706 Energy: 0.6671630895040273 Energy: 0.5624390584829706 Energy: 0.6671630895040273 Energy: 0.5624390584829706 Energy: 0.6671630895040273 Energy: 0.787784504246081 Energy: 0.7800263423592113 Energy: 0.787784504246081 Energy: 0.7800263423592113 Energy: 0.787784504246081 Energy: 0.780026342358679 Energy: 0.5631763975456211 Energy: 0.7654627518223055 Energy: 0.5631763975461533 Energy: 0.7654627518223055 Energy: 0.5631763975456211 Energy: 0.7654627518223055 Energy: 0.5911710271262198 Energy: 0.5966986762505091 Energy: 0.5911710271267521 Energy: 0.5966986762505091 Energy: 0.5911710271267521 Energy: 0.5966986762505091 Energy: 0.6184973499954342 Energy: 0.7270774643469992 Energy: 0.6184973499949018 Energy: 0.7270774643469992 Energy: 0.6184973499949018 Energy: 0.7270774643475315 Energy: 0.7912950238657435 Energy: 0.7675534848362181 Energy: 0.7912950238657435 Energy: 0.7675534848367503 Energy: 0.7912950238652112 Energy: 0.7675534848356856 Energy: 0.643790336157093 Energy: 0.753476986646679 Energy: 0.6437903361581576 Energy: 0.7534769866472112 Energy: 0.6437903361576253 Energy: 0.7534769866472112 Energy: 0.5943530680705348 Energy: 0.6495580120419339 Energy: 0.5943530680710671 Energy: 0.6495580120424663 Energy: 0.5943530680710671 Energy: 0.6495580120493863 Energy: 0.6277092802047275 Energy: 0.7245915532583871 Energy: 0.6277092802031307 Energy: 0.7245915532610487 Energy: 0.627709280202066 Energy: 0.7245915532567901 Energy: 0.6484281580065272 Energy: 0.5969498628835438 Energy: 0.6484281580070594 Energy: 0.5969498628835438 Energy: 0.6484281580065272 Energy: 0.5969498628835438 Energy: 0.5634906339086947 Energy: 0.7642242239362947 Energy: 0.563490633909227 Energy: 0.7642242239373593 Energy: 0.563490633909227 Energy: 0.7642242239373593 Energy: 0.5661733967003437 Energy: 0.7864043328941829 Energy: 0.5661733966998356 Energy: 0.7864043328941829 Energy: 0.5661733967003437 Energy: 0.7864043328952475 Energy: 0.6019552841217533 Energy: 0.6765061858118404 Energy: 0.6019552841206885 Energy: 0.6425653917165358 Energy: 0.6019552841217533 Energy: 0.6687803542879234 Energy: 0.58470261453038 Energy: 0.5964981535321394 Energy: 0.58470261453038 Energy: 0.5964981535321394 Energy: 0.5847026145298477 Energy: 0.5964981535321394 Energy: 0.5920254757138773 Energy: 0.6477543457142357 Energy: 0.5920254757138773 Energy: 0.6774748697457694 Energy: 0.5920254757138773 Energy: 0.6774748696430808 Energy: 0.6440963261700405 Energy: 0.774240066114029 Energy: 0.6440963261689759 Energy: 0.774240066114029 Energy: 0.6440963261705728 Energy: 0.774240066114029 Energy: 0.7098286145571436 Energy: 0.6094668456267689 Energy: 0.709828614557676 Energy: 0.6094668456273012 Energy: 0.7098286145566114 Energy: 0.6706474726916453 Energy: 0.5772691897081974 Energy: 0.747266871674662 Energy: 0.5772691897087298 Energy: 0.7472668716751943 Energy: 0.5772691897087298 Energy: 0.7472668716751943 Energy: 0.5985246395293741 Energy: 0.616201835926924 Energy: 0.5985246395293741 Energy: 0.616201835926924 Energy: 0.5985246395293741 Energy: 0.616201835926924 Energy: 0.5657369463225251 Energy: 0.7468733155478573 Energy: 0.5657369463225251 Energy: 0.7468733155478573 Energy: 0.5657369463225251 Energy: 0.7468733155478573 minimum gb energy = 0.5624390584829706 eV minimum distance = 2.39934707841222 Angstroms sigma value = 33 ======================================== theta = 62.439396894736774 ======================================== Energy: 0.6938404096537554 Energy: 0.6315598472336436 Energy: 0.6938404096548761 Energy: 0.6315598472336436 Energy: 0.6938404096500195 Energy: 0.6315598472328964 Energy: 0.7137574239128647 Energy: 0.6124802828952339 Energy: 0.7137574239147326 Energy: 0.6124802828952339 Energy: 0.713757423913612 Energy: 0.6124802828956074 Energy: 0.6594731128214785 Energy: 0.7440656358660195 Energy: 0.6594731128222256 Energy: 0.7440656358656459 Energy: 0.6594731128214785 Energy: 0.7440656358637779 Energy: 0.7072598177445061 Energy: 0.624468588966621 Energy: 0.7072598177411439 Energy: 0.624468588966621 Energy: 0.7072598177332985 Energy: 0.6244685889662474 Energy: 0.6389274165785851 Energy: 0.7049949377787322 Energy: 0.6389274165789588 Energy: 0.7049949377742492 Energy: 0.6389274165785851 Energy: 0.7049949377768643 Energy: 0.9096827712108667 Energy: 0.6428374423702473 Energy: 0.9096827712101195 Energy: 0.6428374423702473 Energy: 0.9096827712101195 Energy: 0.6428374423702473 Energy: 0.6452990184466634 Energy: 0.7121625860840036 Energy: 0.6452990184466634 Energy: 0.7121625860847509 Energy: 0.6452990184462899 Energy: 0.7121625860843772 Energy: 0.68540167308313 Energy: 0.7045491236336514 Energy: 0.6854016730835037 Energy: 0.7045491236340249 Energy: 0.6854016730838772 Energy: 0.7045491236340249 Energy: 0.738244340770663 Energy: 0.6566270927061107 Energy: 0.7382443407669271 Energy: 0.6566270927064843 Energy: 0.7382443407676743 Energy: 0.6566270927061107 Energy: 0.9495135707054961 Energy: 0.631981770813048 Energy: 0.9495135707054961 Energy: 0.631981770813048 Energy: 0.9495135707043754 Energy: 0.6319817708126744 Energy: 0.6788073974530058 Energy: 0.6781513296640796 Energy: 0.6788073974533794 Energy: 0.6781513296622116 Energy: 0.6788073974526322 Energy: 0.6781513296640796 Energy: 0.9311224130228811 Energy: 0.6243601102584554 Energy: 0.9311224130240018 Energy: 0.6243601102580819 Energy: 0.9311224130228811 Energy: 0.6243601102577082 Energy: 0.6559996315084299 Energy: 0.7390379695197989 Energy: 0.6559996315076828 Energy: 0.7390379695201725 Energy: 0.6559996315091771 Energy: 0.7390379695209197 Energy: 0.6992318734653455 Energy: 0.6820190578215305 Energy: 0.6992318734660927 Energy: 0.682019057821157 Energy: 0.6992318734660927 Energy: 0.68201905782041 Energy: 0.6923985688238935 Energy: 0.6448447632566712 Energy: 0.6923985688238935 Energy: 0.6448447632566712 Energy: 0.6923985688242671 Energy: 0.6448447632566712 Energy: 0.646515813167028 Energy: 0.9131473627428958 Energy: 0.6465158131659072 Energy: 0.9131473627425222 Energy: 0.646515813167028 Energy: 0.9131473627432695 Energy: 0.7050611218833454 Energy: 0.6214811698339637 Energy: 0.7050611218814774 Energy: 0.6214811698365789 Energy: 0.7050611218788623 Energy: 0.6214811698373262 Energy: 0.6225339563597729 Energy: 0.6606138739107084 Energy: 0.6225339563593992 Energy: 0.6606138739103348 Energy: 0.6225339563593992 Energy: 0.6606138739107084 Energy: 0.94597714804506 Energy: 0.9118018831691387 Energy: 0.9459771480454334 Energy: 0.9118018831691387 Energy: 0.9459771480446864 Energy: 0.9118018831687651 Energy: 0.7426502403152944 Energy: 0.6657368921485942 Energy: 0.7426502402917585 Energy: 0.6657368921478471 Energy: 0.7426502403175359 Energy: 0.6657368921474734 Energy: 0.6216483758033053 Energy: 0.6990455905595734 Energy: 0.6216483758044261 Energy: 0.6990455905591997 Energy: 0.6216483758040525 Energy: 0.699045590559947 Energy: 0.6096071080327715 Energy: 0.7157164482517989 Energy: 0.6096071080327715 Energy: 0.7157164482517989 Energy: 0.6096071080327715 Energy: 0.7157164482525461 Energy: 0.6930179073222407 Energy: 0.6067653027496649 Energy: 0.6930179073214935 Energy: 0.6067653027489177 Energy: 0.6930179073222407 Energy: 0.6067653027496649 Energy: 0.628184775174686 Energy: 0.6992623045482481 Energy: 0.6281847751750597 Energy: 0.6992623045493689 Energy: 0.6281847751758067 Energy: 0.6992623045475009 Energy: 0.7045665621917986 Energy: 0.621425017202583 Energy: 0.7045665621921721 Energy: 0.6214250172029566 Energy: 0.7045665621914249 Energy: 0.6214250172014624 Energy: 0.6406972677395347 Energy: 0.9078001594956465 Energy: 0.6406972677410291 Energy: 0.9078001594963937 Energy: 0.6406972677402819 Energy: 0.9078001594975145 Energy: 0.7141817206294795 Energy: 0.6470641659276417 Energy: 0.7141817206279852 Energy: 0.6470641659283889 Energy: 0.7141817206291058 Energy: 0.6470641659283889 Energy: 0.6750736116572187 Energy: 0.6287085829138138 Energy: 0.67507361165946 Energy: 0.6287085829145611 Energy: 0.6750736116598337 Energy: 0.6287085829141875 Energy: 0.6580679654318079 Energy: 0.7390774710458422 Energy: 0.6580679654321815 Energy: 0.7390774710421064 Energy: 0.6580679654314343 Energy: 0.739077471045095 Energy: 0.629629488817427 Energy: 0.9472574711652979 Energy: 0.6296294888185479 Energy: 0.9472574711645507 Energy: 0.6296294888189213 Energy: 0.9472574711652979 Energy: 0.657814914239735 Energy: 0.620730197343483 Energy: 0.657814914239735 Energy: 0.620730197343483 Energy: 0.6578149142393616 Energy: 0.620730197343483 Energy: 0.6281886768362372 Energy: 0.9302128959096515 Energy: 0.6281886768362372 Energy: 0.9302128959100251 Energy: 0.6281886768362372 Energy: 0.9302128959122664 Energy: 0.7419818043989969 Energy: 0.6412665367623867 Energy: 0.7419818043978761 Energy: 0.6412665367623867 Energy: 0.7419818043963817 Energy: 0.6412665367623867 Energy: 0.6796324576022358 Energy: 0.6956006009706203 Energy: 0.6796324576037301 Energy: 0.6956006009709939 Energy: 0.6796324576033566 Energy: 0.6956006009702467 Energy: 0.6796544078333686 Energy: 0.6954176571298517 Energy: 0.679654407832995 Energy: 0.6954176571302254 Energy: 0.6796544078322478 Energy: 0.6954176571298517 Energy: 0.7420318617544042 Energy: 0.641085935627769 Energy: 0.7420318617529099 Energy: 0.6410859356292634 Energy: 0.7420318617581401 Energy: 0.6410859356273955 Energy: 0.6282094788444469 Energy: 0.9301935307390496 Energy: 0.6282094788436998 Energy: 0.9301935307394232 Energy: 0.6282094788440733 Energy: 0.9301935307401704 Energy: 0.6578318102207451 Energy: 0.6207167447388754 Energy: 0.6578318102211187 Energy: 0.6207167447392491 Energy: 0.6578318102207451 Energy: 0.6207167447392491 Energy: 0.6297906664010163 Energy: 0.9471171756476582 Energy: 0.6297906664010163 Energy: 0.9471171756480318 Energy: 0.6297906664010163 Energy: 0.9471171756480318 Energy: 0.6580127327860745 Energy: 0.738959562281314 Energy: 0.6580127327860745 Energy: 0.7389595622790726 Energy: 0.6580127327860745 Energy: 0.7389595622805668 Energy: 0.6753683316547191 Energy: 0.6287812870509933 Energy: 0.6753683316547191 Energy: 0.6287812870524876 Energy: 0.6753683316558399 Energy: 0.6287812870517405 Energy: 0.7140093705287172 Energy: 0.6468289121059716 Energy: 0.7140093705294643 Energy: 0.6468289121063453 Energy: 0.7140093705298379 Energy: 0.646828912105598 Energy: 0.640871321314574 Energy: 0.9079590081851061 Energy: 0.6408713213142004 Energy: 0.9079590081847326 Energy: 0.640871321314574 Energy: 0.9079590081843588 Energy: 0.7045763139332506 Energy: 0.6214326831970332 Energy: 0.704576313932877 Energy: 0.6214326831970332 Energy: 0.7045763139321298 Energy: 0.6214326831985276 Energy: 0.6281835684253664 Energy: 0.6994684108934691 Energy: 0.6281835684264873 Energy: 0.699468410890854 Energy: 0.6281835684272344 Energy: 0.6994684108904805 Energy: 0.6928619891210636 Energy: 0.606782748340417 Energy: 0.692861989118822 Energy: 0.6067827483411642 Energy: 0.69286198912069 Energy: 0.606782748340417 Energy: 0.6096269187680491 Energy: 0.7156627794010242 Energy: 0.6096269187680491 Energy: 0.7156627794013978 Energy: 0.6096269187680491 Energy: 0.7156627794010242 minimum gb energy = 0.6067653027489177 eV minimum distance = 2.38332795876436 Angstroms sigma value = 67 ======================================== theta = 70.52877936550931 ======================================== Energy: 0.7242683230362573 Energy: 0.659598849463469 Energy: 0.7242683230362573 Energy: 0.6595988494632137 Energy: 0.7242683230367396 Energy: 0.6595988494632137 Energy: 0.7075777927571356 Energy: 0.6442306953031343 Energy: 0.7075777927568803 Energy: 0.6442306953031343 Energy: 0.7075777927566248 Energy: 0.6442306953033895 Energy: 0.8507575658334926 Energy: 0.8343471924158499 Energy: 0.8507575658340035 Energy: 0.8343471924160769 Energy: 0.8914979438651609 Energy: 0.8343471924163322 Energy: 0.7075982836173348 Energy: 0.6442330415755955 Energy: 0.7075982836173348 Energy: 0.6442330415755955 Energy: 0.7075982836173348 Energy: 0.6442330415753401 Energy: 0.7242683230362573 Energy: 0.6595988494632137 Energy: 0.7242683230365127 Energy: 0.6595988494632137 Energy: 0.7242683230367396 Energy: 0.6595988494629866 Energy: 0.7075777927566248 Energy: 0.6442306953029072 Energy: 0.7075777927566248 Energy: 0.6442306953031343 Energy: 0.7075777927568803 Energy: 0.6442306953029072 Energy: 0.856466587501522 Energy: 0.8343471924160769 Energy: 0.8564642294864188 Energy: 0.8343471924158499 Energy: 0.8564660522667125 Energy: 0.8343471924160769 minimum gb energy = 0.6442306953029072 eV minimum distance = 2.39385354233874 Angstroms sigma value = 3 ======================================== theta = 77.88488253796277 ======================================== Energy: 0.8967790673977373 Energy: 0.7911855852653992 Energy: 0.8967790673994671 Energy: 0.7911855852647196 Energy: 0.8967790673967488 Energy: 0.7911855852647196 Energy: 0.8541062273253718 Energy: 0.7608263524351572 Energy: 0.8541062273253718 Energy: 0.7608263524351572 Energy: 0.8541062273256806 Energy: 0.7608263524341687 Energy: 0.785573304015055 Energy: 0.8278278318514172 Energy: 0.785573304014746 Energy: 0.8278278318504286 Energy: 0.785573304015055 Energy: 0.8278278318446216 Energy: 0.9049202214454617 Energy: 0.76399778924949 Energy: 0.9049202214461411 Energy: 0.7639977892501695 Energy: 0.9049202214458323 Energy: 0.7607271227024999 Energy: 0.8084962952182987 Energy: 0.8164364044516118 Energy: 0.8084962952196577 Energy: 0.8164364044550095 Energy: 0.808496295218978 Energy: 0.816436404454021 Energy: 0.7728383820274862 Energy: 0.8237371458475704 Energy: 0.7728383820284747 Energy: 0.8237371458455318 Energy: 0.7728383820274862 Energy: 0.8237371458622113 Energy: 0.839537864567251 Energy: 0.8576561710370096 Energy: 0.8395378645695986 Energy: 0.8576561710359595 Energy: 0.8395378645645328 Energy: 0.8576561710346005 Energy: 0.888942191885704 Energy: 0.7649421396158851 Energy: 0.8889421918847153 Energy: 0.7649421396158851 Energy: 0.888942191887063 Energy: 0.7649421396152056 Energy: 0.7781195012446895 Energy: 0.8179203903135163 Energy: 0.7781195012450602 Energy: 0.8179203903427364 Energy: 0.7781195012437011 Energy: 0.8179203903091302 Energy: 0.7863155634581944 Energy: 0.8238678752398796 Energy: 0.7863155634534377 Energy: 0.8238678752354934 Energy: 0.7863155634697465 Energy: 0.8238678752351228 Energy: 0.7988880439425416 Energy: 0.8927554714152204 Energy: 0.7988880439432213 Energy: 0.8927554714152204 Energy: 0.7988880439429125 Energy: 0.8927554714149115 Energy: 0.7712765586319471 Energy: 0.8128387568780278 Energy: 0.7712765586326267 Energy: 0.8128387568787074 Energy: 0.7712765586326267 Energy: 0.8305191346902312 Energy: 0.7961485870680625 Energy: 0.7776596294872846 Energy: 0.796148587070101 Energy: 0.7776596294903733 Energy: 0.7961485870694216 Energy: 0.7776596294913617 Energy: 0.8000703429494892 Energy: 0.8469212967732554 Energy: 0.8000703429494892 Energy: 0.8469212967735643 Energy: 0.8000703429491186 Energy: 0.846921296771217 Energy: 0.8436569390741085 Energy: 0.8466050444629738 Energy: 0.8436569390757764 Energy: 0.8466050444629738 Energy: 0.8436569390723788 Energy: 0.8466050444629738 Energy: 0.8212693230950389 Energy: 0.8302574986391007 Energy: 0.821269323094668 Energy: 0.8302574986428691 Energy: 0.8212693230939887 Energy: 0.7894774780041883 Energy: 0.8291983923055551 Energy: 0.7526252713656912 Energy: 0.8291983923051844 Energy: 0.7526252713646411 Energy: 0.8291983923045049 Energy: 0.7526252713646411 Energy: 0.7908899330247412 Energy: 0.909816943222824 Energy: 0.7908899330254208 Energy: 0.9098169432275809 Energy: 0.7908899330237529 Energy: 0.9098169432252333 Energy: 0.829422675818576 Energy: 0.8191795115610595 Energy: 0.829422675821294 Energy: 0.8191795115610595 Energy: 0.8294226758202439 Energy: 0.8191795115617391 Energy: 0.7712724164708264 Energy: 0.8529231029903229 Energy: 0.7712724164711972 Energy: 0.8253222153858238 Energy: 0.7712724164705176 Energy: 0.8253222153871829 Energy: 0.8325741311790815 Energy: 0.8257166194105524 Energy: 0.832574131179761 Energy: 0.8257166194129 Energy: 0.8325741311787107 Energy: 0.8257166194119115 Energy: 0.7485199353161822 Energy: 0.8660191397919175 Energy: 0.7485199353144525 Energy: 0.866019139792906 Energy: 0.7485199353161822 Energy: 0.8660191397949445 Energy: 0.7689853530367917 Energy: 0.769998144019311 Energy: 0.7689853530343824 Energy: 0.7699981440196816 Energy: 0.7689853530337029 Energy: 0.7699981440199906 Energy: 0.7425391329361695 Energy: 0.7865685977009309 Energy: 0.7425391329354899 Energy: 0.7865685976985217 Energy: 0.7425391329375286 Energy: 0.7865685976975333 Energy: 0.8374014071344843 Energy: 0.8255731945279206 Energy: 0.8374014070998278 Energy: 0.8255731945292797 Energy: 0.8374014071562295 Energy: 0.8255731945279206 Energy: 0.7790282861162792 Energy: 0.8329229887838879 Energy: 0.7790282861152907 Energy: 0.8329229887900038 Energy: 0.7790282861186884 Energy: 0.8329229887981582 Energy: 0.8018443699972571 Energy: 0.7958962832938933 Energy: 0.8018443700006548 Energy: 0.7958962832952524 Energy: 0.8018443700023845 Energy: 0.7958962832932137 Energy: 0.7635303777347725 Energy: 0.7323129093315601 Energy: 0.7635303777357609 Energy: 0.7323129093311895 Energy: 0.7635303777340929 Energy: 0.7323129093295215 Energy: 0.7919045053270531 Energy: 0.7529529669992956 Energy: 0.7919045053307595 Energy: 0.7529529669996045 Energy: 0.7919045053266823 Energy: 0.7529529669982454 Energy: 0.83116058890062 Energy: 0.7790123868687552 Energy: 0.83116058890167 Energy: 0.7790123868660369 Energy: 0.83116058890062 Energy: 0.779012386864678 Energy: 0.8678224329641193 Energy: 0.7617649023943938 Energy: 0.8678224329638103 Energy: 0.7617649023943938 Energy: 0.867822432963131 Energy: 0.7617649023937142 Energy: 0.7925240929622934 Energy: 0.7510320362496686 Energy: 0.7925240929942319 Energy: 0.7510320362469505 Energy: 0.7925240929626642 Energy: 0.7510320362462709 Energy: 0.7886447013456446 Energy: 0.7612995599519511 Energy: 0.7886447013411966 Energy: 0.76129955995504 Energy: 0.7886447013513898 Energy: 0.7612995599530014 Energy: 0.8817410634763364 Energy: 0.8225436402895778 Energy: 0.8817410634742977 Energy: 0.8225436402895778 Energy: 0.8817410634756567 Energy: 0.8225436402875391 Energy: 0.8099016807462053 Energy: 0.7973815069077946 Energy: 0.8099016807462053 Energy: 0.7973815069077946 Energy: 0.8099016807468848 Energy: 0.7973815069077946 Energy: 0.8349260921291874 Energy: 0.8237964866427012 Energy: 0.834926092128508 Energy: 0.8237964866423924 Energy: 0.834926092128508 Energy: 0.8237964866410333 Energy: 0.7428883911144488 Energy: 0.825980282086356 Energy: 0.7428883911121013 Energy: 0.8259802820873444 Energy: 0.7428883911121013 Energy: 0.8259802820887036 Energy: 0.9352176399101771 Energy: 0.7808790741069322 Energy: 0.935217639917961 Energy: 0.7808790741089708 Energy: 0.9352176399217293 Energy: 0.7808790741069322 Energy: 0.7432505216331907 Energy: 0.8582263614435797 Energy: 0.7432505216338702 Energy: 0.8582263614435797 Energy: 0.7432505216334996 Energy: 0.8582263614438885 Energy: 0.8411247786278793 Energy: 0.8236448662402586 Energy: 0.8411247780290816 Energy: 0.8236448662388995 Energy: 0.8411247745266132 Energy: 0.8236448662395791 Energy: 0.7723060548391628 Energy: 0.857969724251672 Energy: 0.7723060548387921 Energy: 0.8579697242519808 Energy: 0.7723060548387921 Energy: 0.8579697242499421 Energy: 0.9110110049973081 Energy: 0.7346454530433716 Energy: 0.9110110049969374 Energy: 0.7346454530430628 Energy: 0.9110110049979877 Energy: 0.7346454530430628 Energy: 0.7505777429394314 Energy: 0.8389176364971985 Energy: 0.7505777429397402 Energy: 0.838917636497569 Energy: 0.7505777429401108 Energy: 0.8389176364971985 Energy: 0.8450781183240198 Energy: 0.7510376942525296 Energy: 0.845078118325317 Energy: 0.7510376942529003 Energy: 0.8450781183240198 Energy: 0.7510376942535799 Energy: 0.8214480306479506 Energy: 0.8206356420099339 Energy: 0.8214480306503599 Energy: 0.8206356420099339 Energy: 0.8214480306510392 Energy: 0.8206356420092543 Energy: 0.8934849549902868 Energy: 0.7547220784144666 Energy: 0.8934849549892366 Energy: 0.7547220784144666 Energy: 0.8934849549905957 Energy: 0.7547220784144666 Energy: 0.782395630030798 Energy: 0.8013576879490989 Energy: 0.7823956300318482 Energy: 0.8013576878835544 Energy: 0.782395630030798 Energy: 0.8013576880105665 Energy: 0.8156713749459207 Energy: 0.7564979473256959 Energy: 0.8156713749452412 Energy: 0.7564979473273638 Energy: 0.8156713749456118 Energy: 0.7564979473247075 Energy: 0.7723769893793027 Energy: 0.8165539079359981 Energy: 0.7723769893793027 Energy: 0.8165539079329093 Energy: 0.7723769893796114 Energy: 0.8165539079342684 Energy: 0.8291065651161098 Energy: 0.7992495995683984 Energy: 0.829106565118828 Energy: 0.7992495995666687 Energy: 0.8291065651177778 Energy: 0.7992495995683984 Energy: 0.7838560398859051 Energy: 0.8324288490495177 Energy: 0.7838560398865849 Energy: 0.8324288490481586 Energy: 0.7838560398865849 Energy: 0.8324288490467996 minimum gb energy = 0.7323129093295215 eV minimum distance = 2.31019637213778 Angstroms sigma value = 81 ======================================== theta = 80.63108442154517 ======================================== Energy: 0.8357675474714544 Energy: 0.7897051086346135 Energy: 0.8357675474723871 Energy: 0.7897051086346135 Energy: 0.8357675474714544 Energy: 0.7897051086346135 Energy: 0.7953333179665522 Energy: 0.7514017693098464 Energy: 0.795333317967485 Energy: 0.7514017693084474 Energy: 0.7953333179665522 Energy: 0.7514017693130683 Energy: 0.8322375264216489 Energy: 0.7234300417993107 Energy: 0.8322645370821 Energy: 0.7234300417993107 Energy: 0.8322615869176555 Energy: 0.7234300417993107 Energy: 0.7797838070731216 Energy: 0.8085165970881883 Energy: 0.7797838070731216 Energy: 0.8085165970881883 Energy: 0.779783807073588 Energy: 0.8085165970886546 Energy: 0.8013297489747662 Energy: 0.7224023551147886 Energy: 0.801329748975699 Energy: 0.7224023551357734 Energy: 0.8013297489743 Energy: 0.7224023550621358 Energy: 0.7527234011395552 Energy: 0.7205862431644948 Energy: 0.7527234011395552 Energy: 0.7205862431649612 Energy: 0.7527234011395552 Energy: 0.7205862431654276 Energy: 0.7150532479962152 Energy: 0.7235794601973428 Energy: 0.7150532479962152 Energy: 0.723579460197809 Energy: 0.7150532479962152 Energy: 0.7235794601973428 Energy: 0.8118964811182057 Energy: 0.9132529312734304 Energy: 0.8118964811177394 Energy: 0.9132529312734304 Energy: 0.8118964811158741 Energy: 0.9132529312729641 Energy: 0.8583358979689327 Energy: 0.8287574193266626 Energy: 0.8583358979698655 Energy: 0.8287572764349808 Energy: 0.8583358979684664 Energy: 0.8287546676240439 Energy: 0.8179909474837492 Energy: 0.9854272215855889 Energy: 0.8179909474823502 Energy: 0.9854272215827908 Energy: 0.8179909474828168 Energy: 0.9854272215823245 Energy: 0.7917089994023471 Energy: 0.7438299032073176 Energy: 0.7917089994023471 Energy: 0.7438299032073176 Energy: 0.7917089994023471 Energy: 0.7438299032073176 Energy: 0.7207809253954687 Energy: 0.7473164310537939 Energy: 0.720780925395935 Energy: 0.7473164310528613 Energy: 0.7207809253954687 Energy: 0.7473164310528613 Energy: 0.7853723230758415 Energy: 0.8027123621429919 Energy: 0.7853723230753752 Energy: 0.8027123621411267 Energy: 0.7853723230753752 Energy: 0.8027123621425257 Energy: 0.8352649692999595 Energy: 0.7208842558207524 Energy: 0.8352649692976278 Energy: 0.7208842558188872 Energy: 0.8352649693008921 Energy: 0.720884255820286 Energy: 0.8638945234198854 Energy: 0.7091845382178296 Energy: 0.8638945234194192 Energy: 0.7091845382154979 Energy: 0.8638945234203519 Energy: 0.7091845382150317 Energy: 0.8120833103833276 Energy: 0.7233912372146659 Energy: 0.8120833103828614 Energy: 0.7233912372095362 Energy: 0.8120833103833276 Energy: 0.7233912372095362 Energy: 0.8089293848195985 Energy: 0.72170648907714 Energy: 0.8089293848186658 Energy: 0.7217064890757409 Energy: 0.8089293848200648 Energy: 0.7217064890762072 Energy: 0.732794267195642 Energy: 0.8376788810042418 Energy: 0.7327942671961083 Energy: 0.8376788810047082 Energy: 0.7327942671961083 Energy: 0.8376788810051746 Energy: 0.7211663408929616 Energy: 0.8230758869145661 Energy: 0.7211663408938943 Energy: 0.8230773502651909 Energy: 0.7211663408924952 Energy: 0.8230772786893077 Energy: 0.8083648598772684 Energy: 0.8833158192062686 Energy: 0.8083648598768445 Energy: 0.8833131486336898 Energy: 0.8083648598768445 Energy: 0.8833136940742278 Energy: 0.7535966015947305 Energy: 0.8024965341276358 Energy: 0.7535966015961294 Energy: 0.8024965341271695 Energy: 0.7535966015961294 Energy: 0.8024965341257705 Energy: 0.7906904894828527 Energy: 0.7457689527719013 Energy: 0.7906904894823863 Energy: 0.7457689527719013 Energy: 0.7906904894828527 Energy: 0.7457689527719013 Energy: 0.772833589708661 Energy: 0.6961442927870735 Energy: 0.7728335897081946 Energy: 0.6961442927870735 Energy: 0.7728335897081946 Energy: 0.6961442927880062 Energy: 0.7873433975404711 Energy: 0.8066198712228896 Energy: 0.7873433975409373 Energy: 0.8066198712224233 Energy: 0.7873433975414036 Energy: 0.8066198712228896 Energy: 0.8377764751488357 Energy: 0.8601032075425386 Energy: 0.8377764751483695 Energy: 0.8601032075416059 Energy: 0.8377764751488357 Energy: 0.8601032075425386 Energy: 0.8663274468611393 Energy: 0.9693393707333658 Energy: 0.8663274468606728 Energy: 0.9693393707342985 Energy: 0.8663274468602065 Energy: 0.9693393707338323 Energy: 0.7324819838814178 Energy: 0.7789830791716552 Energy: 0.7324819838809516 Energy: 0.778983079161396 Energy: 0.7324819838814178 Energy: 0.7789830791618623 Energy: 0.7479769918561511 Energy: 0.7215984785697555 Energy: 0.7479769918570838 Energy: 0.7215984785702219 Energy: 0.7479769918566174 Energy: 0.7215984785692892 Energy: 0.7514387002004838 Energy: 0.7934355947165954 Energy: 0.7514386996714543 Energy: 0.7934355947175282 Energy: 0.7514387093443979 Energy: 0.7934355947170619 Energy: 0.720184524691766 Energy: 0.7408653023575118 Energy: 0.720184524690367 Energy: 0.7408653023575118 Energy: 0.720184524691766 Energy: 0.7408653023575118 Energy: 0.8070596309878806 Energy: 0.8642638715557959 Energy: 0.8070596309892372 Energy: 0.8642638715543971 Energy: 0.8070596309878806 Energy: 0.8642638715557959 Energy: 0.7243502719013833 Energy: 0.8067978662954344 Energy: 0.7243502719149069 Energy: 0.8067978662959008 Energy: 0.7243502719009169 Energy: 0.8067978662959008 Energy: 0.7207950539373864 Energy: 0.769412315021496 Energy: 0.7207950539378527 Energy: 0.7694122765822596 Energy: 0.7207950539378527 Energy: 0.76941228038861 Energy: 0.7208928802885889 Energy: 0.7141485825422799 Energy: 0.7208928802885889 Energy: 0.7141485825422799 Energy: 0.7208928802890552 Energy: 0.7141485825427462 Energy: 0.7650292348064968 Energy: 1.081692047511647 Energy: 0.7650292367325221 Energy: 1.0816920475111806 Energy: 0.7650292403957515 Energy: 1.081692047511647 Energy: 0.8837884577243077 Energy: 0.8049266786365334 Energy: 0.8837884577266395 Energy: 0.8049266803141323 Energy: 0.8837884577252404 Energy: 0.8049266824853196 Energy: 0.7510171102240458 Energy: 0.7562520633288694 Energy: 0.7510171104720482 Energy: 0.756252063329802 Energy: 0.7510171398330805 Energy: 0.7562520633279367 Energy: 0.7447017977230126 Energy: 0.7236332423979215 Energy: 0.7447017977225462 Energy: 0.7236332423979215 Energy: 0.7447017977230126 Energy: 0.7236332423979215 minimum gb energy = 0.6961442927870735 eV minimum distance = 2.41251396744958 Angstroms sigma value = 43 ======================================== theta = 82.945868617881 ======================================== Energy: 0.9384942023963178 Energy: 0.8382088190740444 Energy: 0.9384942023963178 Energy: 0.8382088190746174 Energy: 0.9384942023963178 Energy: 0.8382088190740444 Energy: 0.8300399021322001 Energy: 0.7485271174975109 Energy: 0.8300399021327729 Energy: 0.7485271174986565 Energy: 0.8300399021316274 Energy: 0.7485271174986565 Energy: 0.8048570452724516 Energy: 0.9320571138322882 Energy: 0.8048570452724516 Energy: 0.9320571138322882 Energy: 0.8048570452724516 Energy: 0.9320571138328612 Energy: 0.7622392744669971 Energy: 0.7847703252637811 Energy: 0.7622392744675699 Energy: 0.784770325264354 Energy: 0.7622392744664244 Energy: 0.784770325264354 Energy: 0.8196017974035856 Energy: 0.8158826837765185 Energy: 0.8196017974041584 Energy: 0.8158826837765185 Energy: 0.8196017974035856 Energy: 0.8158826837770913 Energy: 0.783057180397146 Energy: 0.8065368907001167 Energy: 0.783057180397146 Energy: 0.8065368907001167 Energy: 0.7830571803977188 Energy: 0.8065368906995439 Energy: 0.8114427174079097 Energy: 0.8705682339991817 Energy: 0.8114427174079097 Energy: 0.8705682339991817 Energy: 0.8114427174079097 Energy: 0.870568233998036 Energy: 0.7848110985097777 Energy: 0.8518938906546473 Energy: 0.7848110985114963 Energy: 0.8518938906546473 Energy: 0.7848110985103505 Energy: 0.8518938906540744 Energy: 0.8871011557627402 Energy: 0.7421319718991664 Energy: 0.8871011557615944 Energy: 0.7421319718985936 Energy: 0.8871011557621672 Energy: 0.7421319718991664 Energy: 0.7766403636110512 Energy: 0.9598004328922317 Energy: 0.776640363611624 Energy: 0.9598004328922317 Energy: 0.776640363611624 Energy: 0.959800432891659 Energy: 0.8376802984963866 Energy: 0.7643908140394913 Energy: 0.8376802984963866 Energy: 0.7643908140389185 Energy: 0.8376802984963866 Energy: 0.7643908140389185 Energy: 0.7845720682153338 Energy: 0.8274999201645491 Energy: 0.7845720682141882 Energy: 0.8273358848133435 Energy: 0.7845720682130427 Energy: 0.8273349718200674 Energy: 0.8527111019496605 Energy: 0.8060179930588534 Energy: 0.852711101947942 Energy: 0.8060179930588534 Energy: 0.8527111019485147 Energy: 0.8060179930582806 Energy: 0.7270910348873573 Energy: 0.8127996754109014 Energy: 0.7270910348873573 Energy: 0.8127996754120469 Energy: 0.7270910348873573 Energy: 0.8127996754109014 Energy: 0.836918020926568 Energy: 0.8203168610566061 Energy: 0.836918020926568 Energy: 0.8203168610566061 Energy: 0.836918020926568 Energy: 0.8203168610566061 Energy: 0.800877280254838 Energy: 0.8364463870123224 Energy: 0.8008772802542652 Energy: 0.836446387013468 Energy: 0.8008772802542652 Energy: 0.8364463870123224 Energy: 0.8697819264557671 Energy: 0.748282818790092 Energy: 0.8697819264557671 Energy: 0.7482828187895192 Energy: 0.8697819264557671 Energy: 0.7482828187906648 Energy: 0.8904584925185012 Energy: 0.7833072462851244 Energy: 0.8904584925190739 Energy: 0.7833072462845514 Energy: 0.8904584925185012 Energy: 0.7833072462845514 Energy: 0.8908745170298571 Energy: 0.784670260549762 Energy: 0.8908745170292841 Energy: 0.784670260549762 Energy: 0.8908745170298571 Energy: 0.784670260549762 Energy: 0.8690496122865141 Energy: 0.7487106115328731 Energy: 0.8690496122865141 Energy: 0.7487106115311547 Energy: 0.8690496122865141 Energy: 0.7487106115328731 Energy: 0.8000750748127506 Energy: 0.8070276247433593 Energy: 0.8000750748133234 Energy: 0.8070276247427866 Energy: 0.8000750748127506 Energy: 0.8070276247433593 Energy: 0.8932356968103625 Energy: 0.8236511867087356 Energy: 0.8932356968103625 Energy: 0.8236511867087356 Energy: 0.8932356968103625 Energy: 0.8236511867087356 Energy: 0.7270186717384585 Energy: 0.8433666213972492 Energy: 0.7270186717384585 Energy: 0.8433666213966764 Energy: 0.7270186717378857 Energy: 0.8433666213972492 Energy: 0.8530677895478647 Energy: 0.8061488542685279 Energy: 0.8530677895484374 Energy: 0.8061488542673824 Energy: 0.8530677895478647 Energy: 0.8061488542679551 Energy: 0.7846940124059896 Energy: 0.7708459030373916 Energy: 0.7846940124054168 Energy: 0.77084590303911 Energy: 0.7846940124054168 Energy: 0.7708459030373916 Energy: 0.8930567685487456 Energy: 0.79445662463343 Energy: 0.8930567685481728 Energy: 0.7944566246345756 Energy: 0.8930567685487456 Energy: 0.7944566246340028 Energy: 0.7768823358065862 Energy: 0.9000572923843542 Energy: 0.7768823358060133 Energy: 0.9000572923832086 Energy: 0.7768823358060133 Energy: 0.9000572923843542 Energy: 0.8896328833261077 Energy: 0.7393972911731131 Energy: 0.8896328833266546 Energy: 0.7393972911736859 Energy: 0.8896328833266546 Energy: 0.7393972911731131 Energy: 0.7846239473442694 Energy: 0.852380266054461 Energy: 0.7846239473442694 Energy: 0.8523802660550338 Energy: 0.7846239473442694 Energy: 0.8523802660550338 Energy: 0.8144412174288864 Energy: 0.8348594880957068 Energy: 0.8144412174283135 Energy: 0.8348594880968526 Energy: 0.8144412174283135 Energy: 0.8348594880962796 Energy: 0.7830840896268363 Energy: 0.8068525294679133 Energy: 0.783084089627409 Energy: 0.8068525294679133 Energy: 0.783084089627409 Energy: 0.8068525294679133 minimum gb energy = 0.7270186717378857 eV minimum distance = 2.36186768889506 Angstroms sigma value = 57 ======================================== theta = 86.6277133165661 ======================================== Energy: 0.9322608496754177 Energy: 0.8110790956936631 Energy: 0.8688034154739832 Energy: 0.8110790956944048 Energy: 0.932260849674676 Energy: 0.8110790956944048 Energy: 0.8900789124862304 Energy: 0.7835198078725238 Energy: 0.8900789124862304 Energy: 0.7835198078732655 Energy: 0.8900789124862304 Energy: 0.7835198078725238 Energy: 0.8577497913523159 Energy: 0.908970651891769 Energy: 0.8135075090536014 Energy: 0.9089706518910272 Energy: 0.8576621645251626 Energy: 0.908970651891769 Energy: 1.112052170085595 Energy: 0.8832846007053246 Energy: 1.112052170085595 Energy: 0.8832846007053246 Energy: 1.112052170085595 Energy: 0.8832846007053246 Energy: 0.8563657519300156 Energy: 0.82660932823842 Energy: 0.8563657519292739 Energy: 0.82660932823842 Energy: 0.8563657519285323 Energy: 0.82660932823842 Energy: 0.8403874375430033 Energy: 0.7834647329802888 Energy: 0.8403874375422616 Energy: 0.7834647329802888 Energy: 0.8403874375430033 Energy: 0.7834647329795472 Energy: 0.8361770831950764 Energy: 0.9229770816189375 Energy: 0.8361770831943348 Energy: 0.9229770816189375 Energy: 0.8361770831943348 Energy: 0.9229770816189375 Energy: 0.8174952729787424 Energy: 0.8633338792304787 Energy: 0.8174952729780007 Energy: 0.8633338792304787 Energy: 0.8174952729787424 Energy: 0.8633338792304787 Energy: 0.8734843841986222 Energy: 0.78337198823665 Energy: 0.8734843841978804 Energy: 0.78337198823665 Energy: 0.8734843841986222 Energy: 0.78337198823665 Energy: 0.7529978344923085 Energy: 0.7983080560910703 Energy: 0.7531956598891598 Energy: 0.7983080560903286 Energy: 0.7529978344915668 Energy: 0.8357820647831752 Energy: 0.8077086624330891 Energy: 0.8789592675366495 Energy: 0.8077086624338308 Energy: 0.8789592675366495 Energy: 0.8077086624330891 Energy: 0.8789592675373912 Energy: 0.8236784780365259 Energy: 0.9280685528035267 Energy: 0.8236784780350427 Energy: 0.9280685528035267 Energy: 0.8236784780365259 Energy: 0.9280685528035267 Energy: 0.8602988206643452 Energy: 0.7834391744823882 Energy: 0.8602988206643452 Energy: 0.7834391744816466 Energy: 0.8602988206650868 Energy: 0.7834391744823882 Energy: 0.8531140388789715 Energy: 0.7899137586085051 Energy: 0.8256440459164376 Energy: 0.7899137586092467 Energy: 0.8531140388789715 Energy: 0.7899137586085051 Energy: 0.8692395656002361 Energy: 0.781250689913544 Energy: 0.776871109341095 Energy: 0.7812506899128023 Energy: 0.8692395655994944 Energy: 0.781250689913544 Energy: 0.873261703904614 Energy: 0.9488119195308009 Energy: 0.8732617039038723 Energy: 0.9488119195308009 Energy: 0.8732617039038723 Energy: 0.9488119195308009 Energy: 0.753479411620605 Energy: 0.7978198294695119 Energy: 0.7537986147066225 Energy: 0.7978198294695119 Energy: 0.753479411620605 Energy: 0.7978198294695119 Energy: 0.826058623130752 Energy: 0.7159083465498554 Energy: 0.826058623130752 Energy: 0.7159083465498554 Energy: 0.826058623130752 Energy: 0.7159083465498554 Energy: 0.75382469783556 Energy: 0.797817896908344 Energy: 0.75382469783556 Energy: 0.797817896908344 Energy: 0.75382469783556 Energy: 0.797817896908344 Energy: 0.7898865252162717 Energy: 0.9488051257360748 Energy: 0.7898865252162717 Energy: 0.9488051257360748 Energy: 0.78988652521553 Energy: 0.9488051257360748 Energy: 0.7766623327583143 Energy: 0.7864957812529629 Energy: 0.7766623327583143 Energy: 0.7864957812529629 Energy: 0.7766623327583143 Energy: 0.7864957812529629 Energy: 0.8749941275149284 Energy: 0.8081220547395309 Energy: 0.8749941275149284 Energy: 0.8081220547402725 Energy: 0.8749941275149284 Energy: 0.8081220547402725 Energy: 0.9070598149763494 Energy: 0.7777524371026947 Energy: 0.9108365931631374 Energy: 0.7777524371026947 Energy: 0.9070598149756077 Energy: 0.7777524371026947 Energy: 0.8229324224582873 Energy: 1.0179223279166811 Energy: 0.8230791942531339 Energy: 1.0179223279166811 Energy: 0.8229324224582873 Energy: 1.0179223279166811 minimum gb energy = 0.7159083465498554 eV minimum distance = 2.32416812355942 Angstroms sigma value = 17 ======================================== theta = 93.3722866834339 ======================================== Energy: 0.9806436207241546 Energy: 0.7292217650494914 Energy: 0.9806436207252033 Energy: 0.7292217650484425 Energy: 0.9806436207241546 Energy: 0.7292217650494914 Energy: 0.7009560919014516 Energy: 0.6996184844257709 Energy: 0.7009560919014516 Energy: 0.6996184844257709 Energy: 0.7009560919004029 Energy: 0.6996184844257709 Energy: 0.7794701468317919 Energy: 0.8270207954679596 Energy: 0.7794701468317919 Energy: 0.8270207954679596 Energy: 0.7794701468317919 Energy: 0.8270207954679596 Energy: 0.6578000569416984 Energy: 0.8044213125822292 Energy: 0.6578000569416984 Energy: 0.8044213125822292 Energy: 0.6578000569406497 Energy: 0.8044213125822292 Energy: 0.8754972982609309 Energy: 0.782675117494317 Energy: 0.8754972982609309 Energy: 0.782675117494317 Energy: 0.8754972982609309 Energy: 0.7826751174953658 Energy: 0.7469588941899692 Energy: 0.7895520209124053 Energy: 0.746958894191018 Energy: 0.789552020913454 Energy: 0.746958894191018 Energy: 0.7895520209124053 Energy: 0.7837968455424963 Energy: 0.6972271792717442 Energy: 0.7837968455424963 Energy: 0.6972271792717442 Energy: 0.783796845543545 Energy: 0.6972271792717442 Energy: 0.6580184490572135 Energy: 0.7985400930695316 Energy: 0.6580184490582625 Energy: 0.7985400930674338 Energy: 0.6580184490582625 Energy: 0.7985400930695316 Energy: 0.7699655969818311 Energy: 0.6992986052310588 Energy: 0.7699655969818311 Energy: 0.6992986052310588 Energy: 0.7699655969818311 Energy: 0.6992986052310588 Energy: 0.7470418114065122 Energy: 0.7023826808861173 Energy: 0.7470418114065122 Energy: 0.7023826808861173 Energy: 0.7470418114065122 Energy: 0.7023826808861173 Energy: 0.7383777620554217 Energy: 0.7938232939214362 Energy: 0.7383777620554217 Energy: 0.7938232939214362 Energy: 0.7383777620554217 Energy: 0.7938232939214362 Energy: 0.7638855781106816 Energy: 0.6990497604965729 Energy: 0.7638855781001929 Energy: 0.6990497604976217 Energy: 0.7638855781054372 Energy: 0.6990497604976217 Energy: 0.657708029370372 Energy: 0.7884729800487432 Energy: 0.657708029370372 Energy: 0.7884729800487432 Energy: 0.657708029370372 Energy: 0.7884729800487432 Energy: 0.7468886991645023 Energy: 0.7857043425255906 Energy: 0.746888699165551 Energy: 0.7857043425266395 Energy: 0.746888699165551 Energy: 0.7857043425255906 Energy: 0.7472288363686261 Energy: 0.8839038070348416 Energy: 0.7472288363686261 Energy: 0.8839038070358904 Energy: 0.7472288363675773 Energy: 0.8839038070348416 Energy: 0.746751607072037 Energy: 0.7882388332182583 Energy: 0.746751607072037 Energy: 0.7882388332182583 Energy: 0.746751607072037 Energy: 0.788238833219307 Energy: 0.7454870673562894 Energy: 0.7872037765508237 Energy: 0.7454870673562894 Energy: 0.7872037765508237 Energy: 0.7454870673552406 Energy: 0.7872037765508237 minimum gb energy = 0.657708029370372 eV minimum distance = 2.3429461296015 Angstroms sigma value = 17 ======================================== theta = 97.054131382119 ======================================== Energy: 0.726650545720817 Energy: 0.653854965232429 Energy: 0.726650545721222 Energy: 0.653854965232429 Energy: 0.726650545720412 Energy: 0.653854965232429 Energy: 0.6629674912472553 Energy: 0.6317887927150854 Energy: 0.6629674912484703 Energy: 0.6317887927146804 Energy: 0.6629674912464453 Energy: 0.6317887927146804 Energy: 0.7187659123998356 Energy: 0.6896336251800138 Energy: 0.7187659123994306 Energy: 0.6896336251800138 Energy: 0.7187659123998356 Energy: 0.6896336251796087 Energy: 0.6119132969729674 Energy: 0.6886373697718354 Energy: 0.6119132969721572 Energy: 0.6886373697722404 Energy: 0.6119132969729674 Energy: 0.6886373697718354 Energy: 0.7469466585484493 Energy: 0.6355412511646343 Energy: 0.7469466585480444 Energy: 0.6355412511634192 Energy: 0.7469466585488543 Energy: 0.6355412511722931 Energy: 0.6979027558612433 Energy: 0.6405381182476917 Energy: 0.6979027558612433 Energy: 0.6405381182480967 Energy: 0.6979027558616483 Energy: 0.6405381182460714 Energy: 0.6649805258637668 Energy: 0.6688066875907517 Energy: 0.6649805258568814 Energy: 0.6688066875907517 Energy: 0.6649805258601217 Energy: 0.6688066875907517 Energy: 0.8296829673442172 Energy: 0.8060149274642123 Energy: 0.8296829673442172 Energy: 0.8060149274646174 Energy: 0.8296829673442172 Energy: 0.8060149274642123 Energy: 0.6877689809333111 Energy: 0.7011828681483391 Energy: 0.6877689809345262 Energy: 0.701182868147529 Energy: 0.6877689809337161 Energy: 0.7011828681483391 Energy: 0.6643181732132021 Energy: 0.5982836214049763 Energy: 0.6643181732140122 Energy: 0.5982836214049763 Energy: 0.6643181732140122 Energy: 0.5982836214045713 Energy: 0.6125944635752246 Energy: 0.7969422869499458 Energy: 0.6125944635752246 Energy: 0.7969422869499458 Energy: 0.6125944635756296 Energy: 0.7969422869499458 Energy: 0.721625451960696 Energy: 0.649527793305551 Energy: 0.721625451959886 Energy: 0.6495277933051459 Energy: 0.721625451959886 Energy: 0.649527793306361 Energy: 0.6782192122798715 Energy: 0.6491081522414539 Energy: 0.6782192122798715 Energy: 0.6491081522414539 Energy: 0.6782192122794664 Energy: 0.6491081522398338 Energy: 0.6687275702618997 Energy: 0.7266342607575317 Energy: 0.6687275702618997 Energy: 0.7266342607571266 Energy: 0.6687275702618997 Energy: 0.7266342607583417 Energy: 0.7022466345165688 Energy: 0.649799373868302 Energy: 0.7022466345161636 Energy: 0.649799373867087 Energy: 0.7022466345165688 Energy: 0.649799373867897 Energy: 0.611990429817669 Energy: 0.7954176366802405 Energy: 0.6119904298188841 Energy: 0.8176811377185499 Energy: 0.611990429817264 Energy: 0.7649711039862914 Energy: 0.6780314307112273 Energy: 0.6882875178262425 Energy: 0.6780314307112273 Energy: 0.6882875178262425 Energy: 0.6780314307112273 Energy: 0.6882875178266475 Energy: 0.7033682172749532 Energy: 0.8262691073291122 Energy: 0.7033682172753581 Energy: 0.8262691073291122 Energy: 0.7033682172757633 Energy: 0.8262691073295173 Energy: 0.6805274784454949 Energy: 0.7672278041742826 Energy: 0.6805274784511285 Energy: 0.7672278041746876 Energy: 0.680527478447925 Energy: 0.7672278041750927 Energy: 0.6771288240178223 Energy: 0.6057857079562088 Energy: 0.6771288240178223 Energy: 0.6057857079566139 Energy: 0.6771288240178223 Energy: 0.6190561342634242 Energy: 0.6807823390808285 Energy: 0.7672937551063431 Energy: 0.6807823390816387 Energy: 0.7672937551059381 Energy: 0.6807823390804234 Energy: 0.7672937551063431 Energy: 0.7034543971753944 Energy: 0.8165850207206916 Energy: 0.7034543971741792 Energy: 0.8165850207206916 Energy: 0.7034543971741792 Energy: 0.8165850207215017 Energy: 0.6780184283124723 Energy: 0.6882025378990488 Energy: 0.6780184283116621 Energy: 0.6882025378994538 Energy: 0.6780184283116621 Energy: 0.6882025378990488 Energy: 0.6121821804307229 Energy: 0.7357751832773078 Energy: 0.6121821804299128 Energy: 0.735775183278523 Energy: 0.6121821804303178 Energy: 0.7357751832756877 Energy: 0.7020182184602575 Energy: 0.6496783039202815 Energy: 0.7020182184602575 Energy: 0.6496783039174462 Energy: 0.7020182184598524 Energy: 0.6496783039182563 Energy: 0.6688129718538073 Energy: 0.7262828049445462 Energy: 0.6688129718534022 Energy: 0.7262828049445462 Energy: 0.6688129718534022 Energy: 0.7262828049449511 Energy: 0.6781465285187933 Energy: 0.6497120228880306 Energy: 0.6781465285183882 Energy: 0.6497120228884357 Energy: 0.6781465285187933 Energy: 0.6497120228872205 Energy: 0.7216857134615347 Energy: 0.6494269318165139 Energy: 0.7216857134619397 Energy: 0.6494269318136786 Energy: 0.7216857134619397 Energy: 0.6494269318157038 Energy: 0.6125848486021918 Energy: 0.7969395539378104 Energy: 0.6125848486030018 Energy: 0.7969395539378104 Energy: 0.6125848486025968 Energy: 0.7969395539378104 Energy: 0.663273965173327 Energy: 0.597929014882248 Energy: 0.6632739651741372 Energy: 0.5979290148810329 Energy: 0.6632739651741372 Energy: 0.5979290148802228 Energy: 0.6877725495908239 Energy: 0.7009193119711676 Energy: 0.6877725495900138 Energy: 0.7009193119711676 Energy: 0.6877725495904188 Energy: 0.7009193119715728 Energy: 0.8296266498351449 Energy: 0.8058180814396803 Energy: 0.8296266498355499 Energy: 0.8058180814400854 Energy: 0.8296266498355499 Energy: 0.8058180814388701 Energy: 0.6650699357133184 Energy: 0.6689892465396231 Energy: 0.6650699357112932 Energy: 0.6689892465392181 Energy: 0.6650699357149384 Energy: 0.6689892465392181 Energy: 0.6979201415466119 Energy: 0.6406678121211835 Energy: 0.6979201415462069 Energy: 0.6406678121183483 Energy: 0.6979201415466119 Energy: 0.6406678121228038 Energy: 0.7470327250598547 Energy: 0.6363478803629256 Energy: 0.7470327250566144 Energy: 0.6363478803621154 Energy: 0.7470327250566144 Energy: 0.6363478803629256 Energy: 0.6118738655759335 Energy: 0.6969107847732885 Energy: 0.6118738655775535 Energy: 0.6969107847736936 Energy: 0.6118738655763386 Energy: 0.6969107847736936 Energy: 0.7190523599585976 Energy: 0.6897059845640194 Energy: 0.7190523599581926 Energy: 0.6897059845640194 Energy: 0.7190523599585976 Energy: 0.6897059845640194 Energy: 0.7721441162769039 Energy: 0.6320112512097096 Energy: 0.7721441162769039 Energy: 0.6320112512100777 Energy: 0.7721441162764989 Energy: 0.6320112512097096 Energy: 0.726650545720817 Energy: 0.6538549652336441 Energy: 0.726650545723247 Energy: 0.653854965233239 Energy: 0.7266505457200069 Energy: 0.653854965233239 Energy: 0.6629674912476603 Energy: 0.6383475729790731 Energy: 0.6629674912488753 Energy: 0.6383475729802882 Energy: 0.6629674912452301 Energy: 0.6383475729798832 Energy: 0.7187659123994306 Energy: 0.689633625181229 Energy: 0.7187659124002407 Energy: 0.689633625181634 Energy: 0.7187659123994306 Energy: 0.689633625181229 Energy: 0.6119132969717522 Energy: 0.6886373697722404 Energy: 0.6119132969737774 Energy: 0.6886373697714304 Energy: 0.6119132969733724 Energy: 0.6886373697718354 Energy: 0.7469466585484493 Energy: 0.6355412511585589 Energy: 0.7469466585488543 Energy: 0.6355412511626092 Energy: 0.7469466585488543 Energy: 0.6355412511634192 minimum gb energy = 0.5979290148802228 eV minimum distance = 2.36637956311202 Angstroms sigma value = 57 ======================================== theta = 99.36891557845483 ======================================== Energy: 0.6662250646963634 Energy: 0.6030083524758959 Energy: 0.6662250646963634 Energy: 0.6030083524758959 Energy: 0.6662250646970228 Energy: 0.6030083524758959 Energy: 0.6984661593117867 Energy: 0.5873043002540916 Energy: 0.6984661593124463 Energy: 0.5873043002534322 Energy: 0.6984661593117867 Energy: 0.5873043002534322 Energy: 0.6756983890286137 Energy: 0.6773535318043074 Energy: 0.6756983890286137 Energy: 0.6773535318043074 Energy: 0.6756983890279541 Energy: 0.6773535318043074 Energy: 0.5771642153709637 Energy: 0.6552589536660938 Energy: 0.5771642153709637 Energy: 0.6552589536654343 Energy: 0.5771642153736017 Energy: 0.6552589536660938 Energy: 0.6811307603347073 Energy: 0.5571150726314168 Energy: 0.6811307603353669 Energy: 0.5571150726333952 Energy: 0.6811307603347073 Energy: 0.5571150726333952 Energy: 0.650653204456152 Energy: 0.5940729552702353 Energy: 0.6506532044568115 Energy: 0.5940729552728733 Energy: 0.650653204456152 Energy: 0.5940729552689162 Energy: 0.739084497116685 Energy: 0.6368795735315967 Energy: 0.7390844971173445 Energy: 0.6368795735315967 Energy: 0.739084497116685 Energy: 0.6368795735329156 Energy: 0.7573974576543165 Energy: 0.7429690937264449 Energy: 0.7573974576556355 Energy: 0.742969093727764 Energy: 0.7573974576556355 Energy: 0.742969093727764 Energy: 0.6030514433129736 Energy: 0.5956275936686394 Energy: 0.603051443312314 Energy: 0.5956275936692988 Energy: 0.6030514433129736 Energy: 0.5956275936686394 Energy: 0.6088167017479582 Energy: 0.6153284088993529 Energy: 0.6088167017486178 Energy: 0.6153284088986934 Energy: 0.6088167017479582 Energy: 0.6153284088986934 Energy: 0.7388216691704105 Energy: 0.7446611587555515 Energy: 0.738821669169751 Energy: 0.7446611587555515 Energy: 0.738821669169751 Energy: 0.7446611587548918 Energy: 0.6259353757176582 Energy: 0.6608049220579885 Energy: 0.6259353757176582 Energy: 0.6608049222333526 Energy: 0.6259353757176582 Energy: 0.6608049222346716 Energy: 0.6072553218885751 Energy: 0.6743531069794345 Energy: 0.6072553218885751 Energy: 0.6743531069794345 Energy: 0.6072553218885751 Energy: 0.674353106978775 Energy: 0.5743805153462108 Energy: 0.7014359344059142 Energy: 0.5743805153462108 Energy: 0.7014359344059142 Energy: 0.5743805153462108 Energy: 0.7014359344052545 Energy: 0.6632683270681404 Energy: 0.6056758251634922 Energy: 0.6632683270681404 Energy: 0.6056758251634922 Energy: 0.6632683270681404 Energy: 0.6056758251648112 Energy: 0.6062120079007031 Energy: 0.6757264830697519 Energy: 0.6062120078993841 Energy: 0.6757264830710707 Energy: 0.6062120079000436 Energy: 0.6757264830710707 Energy: 0.6166911175694528 Energy: 0.6831801834075678 Energy: 0.6166911175701124 Energy: 0.6831801834075678 Energy: 0.6166911175720908 Energy: 0.6831801834075678 Energy: 0.7136650851301419 Energy: 0.6595479027120507 Energy: 0.7136650851294825 Energy: 0.6595479027120507 Energy: 0.7136650851294825 Energy: 0.6595479027001798 Energy: 0.5772224632902349 Energy: 0.7172180871817025 Energy: 0.5772224632928729 Energy: 0.717218087182362 Energy: 0.5772224632915538 Energy: 0.7172180871830215 Energy: 0.5770220900203943 Energy: 0.6508725359248871 Energy: 0.5770220900190753 Energy: 0.6508725359248871 Energy: 0.5770220900203943 Energy: 0.6508725359255466 Energy: 0.6419153442989942 Energy: 0.7607709817110369 Energy: 0.6419153442996537 Energy: 0.7607709817116963 Energy: 0.6419153442989942 Energy: 0.7607709817103774 Energy: 0.5645754243889287 Energy: 0.7198957936449774 Energy: 0.5645754243895882 Energy: 0.7198957936449774 Energy: 0.5645754243889287 Energy: 0.7198957936449774 Energy: 0.6243119806008091 Energy: 0.6272674450201687 Energy: 0.6243119806027875 Energy: 0.6272674450201687 Energy: 0.6243119806014685 Energy: 0.6272674450201687 Energy: 0.6221932441810482 Energy: 0.7201902431389414 Energy: 0.6221932441797293 Energy: 0.7201902431415793 Energy: 0.6221932441790698 Energy: 0.7201902431396009 Energy: 0.6258231550892974 Energy: 0.7630927129449956 Energy: 0.6258231550517065 Energy: 0.7630927129456551 Energy: 0.6258231550675343 Energy: 0.7630927129456551 Energy: 0.6054064822726721 Energy: 0.6262418164346291 Energy: 0.6054064822720127 Energy: 0.6262418164346291 Energy: 0.6054064822720127 Energy: 0.6262418164346291 Energy: 0.573067293152989 Energy: 0.7171615798215559 Energy: 0.573067293152989 Energy: 0.7171615798215559 Energy: 0.573067293152989 Energy: 0.7171615798222154 minimum gb energy = 0.5571150726314168 eV minimum distance = 2.33312578615786 Angstroms sigma value = 43 ======================================== theta = 102.11511746203723 ======================================== Energy: 0.7328497782497444 Energy: 0.5434540623667738 Energy: 0.7328497782492639 Energy: 0.5434540623667738 Energy: 0.7328497782492639 Energy: 0.5434540623677349 Energy: 0.5933899692665575 Energy: 0.5380746760703862 Energy: 0.5933899692675185 Energy: 0.5380746760703862 Energy: 0.5933899692670381 Energy: 0.5380746760694252 Energy: 0.5774358572491574 Energy: 0.6071507362358838 Energy: 0.5774358572491574 Energy: 0.6071507362358838 Energy: 0.5774358572501185 Energy: 0.6071507362358838 Energy: 0.6924148056723529 Energy: 0.564745583318597 Energy: 0.6924148056718724 Energy: 0.564745583318597 Energy: 0.692414805671392 Energy: 0.564745583318597 Energy: 0.6973537597411058 Energy: 0.5027804957049197 Energy: 0.6973537597411058 Energy: 0.5027804957044392 Energy: 0.6973537597411058 Energy: 0.5027804957044392 Energy: 0.5549002617861984 Energy: 0.5357558317937873 Energy: 0.5549002617857179 Energy: 0.5357558317937873 Energy: 0.5549002617861984 Energy: 0.5357558317899431 Energy: 0.6522631479390647 Energy: 0.5538504223480167 Energy: 0.6522631479395452 Energy: 0.5538504223489777 Energy: 0.6522631479400256 Energy: 0.5538504223489777 Energy: 0.7201866613368979 Energy: 0.631290264684885 Energy: 0.7201866613368979 Energy: 0.6312902646853654 Energy: 0.7201866613368979 Energy: 0.6312902646868069 Energy: 0.5316252898031583 Energy: 0.5847914063079835 Energy: 0.5316252898036388 Energy: 0.584791406307503 Energy: 0.5316252898031583 Energy: 0.584791406307503 Energy: 0.5973487205472239 Energy: 0.5278173959215351 Energy: 0.5973487205472239 Energy: 0.5278173959215351 Energy: 0.5973487205472239 Energy: 0.5278173959215351 Energy: 0.6630249859654648 Energy: 0.6318803087915997 Energy: 0.6630249859659454 Energy: 0.6318803087915997 Energy: 0.6630249859654648 Energy: 0.6318803087915997 Energy: 0.5118910507752 Energy: 0.5842966395948145 Energy: 0.5118910507747197 Energy: 0.5842966395952951 Energy: 0.5118910507742391 Energy: 0.5842966395948145 Energy: 0.5972880809871874 Energy: 0.5047939259835555 Energy: 0.5972880809867068 Energy: 0.504793925983075 Energy: 0.5972880809876678 Energy: 0.504793925984036 Energy: 0.6407325308838665 Energy: 0.6292617886612042 Energy: 0.6407325308829055 Energy: 0.6292617886602431 Energy: 0.640732530883386 Energy: 0.6292617886612042 Energy: 0.5254733831247653 Energy: 0.5845338240535809 Energy: 0.5254733831242848 Energy: 0.5845338240535809 Energy: 0.5254733831242848 Energy: 0.5845338240540614 Energy: 0.6142119668169616 Energy: 0.5525965791045668 Energy: 0.6142119668174421 Energy: 0.5525965791050473 Energy: 0.614211966816481 Energy: 0.5525965791045668 Energy: 0.6517097780879689 Energy: 0.628330108622295 Energy: 0.6517097780884493 Energy: 0.6283301086227756 Energy: 0.6517097780879689 Energy: 0.6283301086227756 Energy: 0.5390385804547936 Energy: 0.502948347848413 Energy: 0.5390385804547936 Energy: 0.5029483478498546 Energy: 0.5390385804547936 Energy: 0.5029483478503349 Energy: 0.523840373984183 Energy: 0.5798015917990604 Energy: 0.523840373985144 Energy: 0.5798015917990604 Energy: 0.523840373984183 Energy: 0.5798015917990604 Energy: 0.673567470237209 Energy: 0.686925727622628 Energy: 0.6735674702367286 Energy: 0.686925727622628 Energy: 0.6735674702362481 Energy: 0.686925727622628 Energy: 0.5744922897847152 Energy: 0.5419372871144097 Energy: 0.5744922897842348 Energy: 0.5419372871153706 Energy: 0.5744922897842348 Energy: 0.5419372871158512 Energy: 0.6144060723391286 Energy: 0.5889125705942849 Energy: 0.6144060723396091 Energy: 0.5889125705962069 Energy: 0.6144060723391286 Energy: 0.5889125705957264 Energy: 0.5530461978949075 Energy: 0.5871698869549268 Energy: 0.5530461978949075 Energy: 0.5871698869558879 Energy: 0.553046197894427 Energy: 0.5871698869554073 Energy: 0.6158808414134056 Energy: 0.5381935285246809 Energy: 0.6158808414138862 Energy: 0.5381935285237199 Energy: 0.6158808414134056 Energy: 0.5381935285150707 Energy: 0.5068494978854424 Energy: 0.5768963677751686 Energy: 0.5068494978854424 Energy: 0.5768963677775713 Energy: 0.5068494978859229 Energy: 0.5768963677751686 Energy: 0.50825380635595 Energy: 0.5636058013698712 Energy: 0.5082538063564305 Energy: 0.5636058013698712 Energy: 0.5082538063573914 Energy: 0.5636058013693906 Energy: 0.5382761321067042 Energy: 0.6631219351568504 Energy: 0.5382761321067042 Energy: 0.6631219351568504 Energy: 0.5382761321067042 Energy: 0.6631219351558892 Energy: 0.4809987639767083 Energy: 0.5726762306161403 Energy: 0.4809987639771889 Energy: 0.5726762306166208 Energy: 0.4809987639762278 Energy: 0.5726762306161403 Energy: 0.5206341955855441 Energy: 0.5332073208038277 Energy: 0.5206341955860245 Energy: 0.5332073208038277 Energy: 0.5206341955855441 Energy: 0.5332073208038277 Energy: 0.5234192366963875 Energy: 0.6433552359830351 Energy: 0.5234192366973485 Energy: 0.6433552359830351 Energy: 0.523419236696868 Energy: 0.6433552359825546 Energy: 0.5645239945670752 Energy: 0.7205035730001104 Energy: 0.5645239945670752 Energy: 0.7205035729996297 Energy: 0.5645239945670752 Energy: 0.7205035729996297 Energy: 0.5210027388283975 Energy: 0.5174816520735702 Energy: 0.5210027388293585 Energy: 0.5174816520730897 Energy: 0.521002738828878 Energy: 0.5174816520735702 Energy: 0.5089796978734004 Energy: 0.5762513617955266 Energy: 0.5089796978758029 Energy: 0.5762513617955266 Energy: 0.5089796978743614 Energy: 0.5762513617955266 Energy: 0.6380084776447796 Energy: 0.6409535028428203 Energy: 0.6380084776447796 Energy: 0.6409535028433007 Energy: 0.6380084776447796 Energy: 0.6409535028433007 Energy: 0.5430789072162665 Energy: 0.5033929206447715 Energy: 0.543078907216747 Energy: 0.5033929206447715 Energy: 0.5430789072162665 Energy: 0.503392920644291 Energy: 0.4679045340275842 Energy: 0.5753644669899146 Energy: 0.4679045340271037 Energy: 0.5753644669899146 Energy: 0.4679045340271037 Energy: 0.575364466989434 minimum gb energy = 0.4679045340271037 eV minimum distance = 2.335148904954 Angstroms sigma value = 81 ======================================== theta = 109.47122063449069 ======================================== Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.3783324344856179 Energy: 0.04150265565469185 Energy: 0.3783324344856179 Energy: 0.04150247402712339 Energy: 0.3783324344856179 Energy: 0.04150261100749911 Energy: 0.37833633337062106 Energy: 0.041557327099591555 Energy: 0.37833633337062106 Energy: 0.04155160887364401 Energy: 0.3783363333688556 Energy: 0.041557618418064365 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.3783324344856179 Energy: 0.04150247831007296 Energy: 0.3783324344856179 Energy: 0.04150245611176652 Energy: 0.3783324344856179 Energy: 0.0415024842324448 Energy: 0.3783363333688556 Energy: 0.04156576663137409 Energy: 0.37833633337062106 Energy: 0.04155980181178812 Energy: 0.3783363333688556 Energy: 0.04156454843563744 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.3783324344856179 Energy: 0.04150259990747317 Energy: 0.3783324344856179 Energy: 0.04150249240481918 Energy: 0.3783324344856179 Energy: 0.041502466408853515 Energy: 0.3783363333688556 Energy: 0.04155966118552554 Energy: 0.37833633337062106 Energy: 0.04156563873220126 Energy: 0.37833633337062106 Energy: 0.041564832241709856 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251380422 Energy: 0.04045858433944678 Energy: 0.07186713251556973 minimum gb energy = 0.04045858433944678 eV minimum distance = 2.53672492640173 Angstroms sigma value = 3 ======================================== theta = 117.56060310526324 ======================================== Energy: 0.6004507517905376 Energy: 0.49600864784872123 Energy: 0.6004507517915942 Energy: 0.49600864784872123 Energy: 0.6004507517900093 Energy: 0.49600864784872123 Energy: 0.5181572138206093 Energy: 0.5183183775457045 Energy: 0.5181572138206093 Energy: 0.5183183775446478 Energy: 0.5181572138216658 Energy: 0.5183183775462328 Energy: 0.534384247613263 Energy: 0.544049271189091 Energy: 0.5343842476127347 Energy: 0.544049271189091 Energy: 0.534384247613263 Energy: 0.544049271189091 Energy: 0.5736963870542636 Energy: 0.5171697413590157 Energy: 0.573696387054792 Energy: 0.5171697413590157 Energy: 0.5736963870553202 Energy: 0.5171697413590157 Energy: 0.44626842055933763 Energy: 0.5187665340229874 Energy: 0.4462684205588093 Energy: 0.518766534022459 Energy: 0.4462684205588093 Energy: 0.518766534022459 Energy: 0.5329132625320532 Energy: 0.5395903300136707 Energy: 0.5329132625325815 Energy: 0.5395903300136707 Energy: 0.5329132625315248 Energy: 0.5395903300136707 Energy: 0.5368914016601289 Energy: 0.5129783294916974 Energy: 0.5368914016596007 Energy: 0.5129782167920872 Energy: 0.5368914016590723 Energy: 0.5129782153350754 Energy: 0.44290842888729554 Energy: 0.5214061513783802 Energy: 0.44290842887831405 Energy: 0.5214061513778518 Energy: 0.44290842887778564 Energy: 0.5214061513773236 Energy: 0.5406337433202022 Energy: 0.5430982224865804 Energy: 0.5406337433202022 Energy: 0.5430982224871086 Energy: 0.540633743319674 Energy: 0.5430982224871086 Energy: 0.5348500610308373 Energy: 0.4762407707040818 Energy: 0.5348500610308373 Energy: 0.4762407707030251 Energy: 0.534850061031894 Energy: 0.4762407707040818 Energy: 0.47305462820907596 Energy: 0.5216762417340451 Energy: 0.47305462821805755 Energy: 0.5216762417340451 Energy: 0.4730546282265108 Energy: 0.5216762417340451 Energy: 0.5559674414741135 Energy: 0.5622549669567526 Energy: 0.5559674414741135 Energy: 0.5622549669562242 Energy: 0.5559674414746418 Energy: 0.5622549669572809 Energy: 0.5417577968376359 Energy: 0.4484416764104683 Energy: 0.5417577968376359 Energy: 0.4484416764109967 Energy: 0.5417577968376359 Energy: 0.4484416764104683 Energy: 0.49242724541803773 Energy: 0.5550950415014545 Energy: 0.4924267801893649 Energy: 0.5550950415014545 Energy: 0.49242702686817325 Energy: 0.5550950415009263 Energy: 0.5373305151750299 Energy: 0.5444182496584264 Energy: 0.5373305151739733 Energy: 0.5444182496584264 Energy: 0.5373305151739733 Energy: 0.5444182496584264 Energy: 0.5430853850902068 Energy: 0.4435642341215394 Energy: 0.5430853850902068 Energy: 0.4435642341220677 Energy: 0.5430853850896785 Energy: 0.4435642341215394 Energy: 0.5132699905076482 Energy: 0.5708407680796203 Energy: 0.5132699905076482 Energy: 0.5708407680785637 Energy: 0.5132699905081765 Energy: 0.5708407680790919 Energy: 0.5201325556924978 Energy: 0.5258620420915898 Energy: 0.5201325556924978 Energy: 0.5258620420931748 Energy: 0.5201325556919696 Energy: 0.5258620420926464 Energy: 0.5425500485768695 Energy: 0.5057016254650782 Energy: 0.5425500485773979 Energy: 0.5057016254661348 Energy: 0.5425500485779262 Energy: 0.5057016254650782 Energy: 0.5182356430832729 Energy: 0.5997443716251798 Energy: 0.5182356430832729 Energy: 0.5997443715491244 Energy: 0.5182356430832729 Energy: 0.5997443717608884 Energy: 0.5445593537541367 Energy: 0.5185891285401195 Energy: 0.544559353754665 Energy: 0.5185891285411762 Energy: 0.5445593537541367 Energy: 0.5185891285401195 Energy: 0.5378298410413539 Energy: 0.5134006333973902 Energy: 0.5378298410413539 Energy: 0.5134006333968619 Energy: 0.5378298410418821 Energy: 0.5134006333973902 Energy: 0.5198505775697674 Energy: 0.5363680656166374 Energy: 0.5198505775697674 Energy: 0.5363680656166374 Energy: 0.5198505775697674 Energy: 0.5363680656166374 Energy: 0.5324711526711988 Energy: 0.5067643459711911 Energy: 0.5324711526722554 Energy: 0.5067643459701344 Energy: 0.5324711526722554 Energy: 0.5067643459711911 Energy: 0.5425121038407281 Energy: 0.5333260641000748 Energy: 0.5425121038407281 Energy: 0.5333260641006031 Energy: 0.5425121038407281 Energy: 0.5333260641006031 Energy: 0.506544058681646 Energy: 0.544302023217745 Energy: 0.5065440586805894 Energy: 0.5443020232182734 Energy: 0.5065440586805894 Energy: 0.544302023217745 Energy: 0.5899460594569198 Energy: 0.44668564702452995 Energy: 0.5899460594569198 Energy: 0.4466856470240256 Energy: 0.5899460594574483 Energy: 0.4466856470234973 Energy: 0.5373436439708785 Energy: 0.5436244818854227 Energy: 0.5373436439708785 Energy: 0.5436244818854227 Energy: 0.5373436439703503 Energy: 0.5436244818854227 Energy: 0.4913502393894241 Energy: 0.5417747463243577 Energy: 0.4913502393899525 Energy: 0.5417747463248861 Energy: 0.4913502393894241 Energy: 0.5417747463248861 Energy: 0.598836903234316 Energy: 0.4778765811972924 Energy: 0.5988369032348443 Energy: 0.47787658086194745 Energy: 0.598836903234316 Energy: 0.4778765807927603 Energy: 0.5435719467207853 Energy: 0.5411480200076647 Energy: 0.5435719467213138 Energy: 0.5411480200076647 Energy: 0.5435719467213138 Energy: 0.5411480200071362 Energy: 0.47635202470746124 Energy: 0.5389786132950778 Energy: 0.47635202470746124 Energy: 0.538978613295606 Energy: 0.47635202470798954 Energy: 0.5389786132950778 Energy: 0.5481208727256357 Energy: 0.5415871855372495 Energy: 0.5481208727256357 Energy: 0.5415871855361929 Energy: 0.5481208727251075 Energy: 0.5415871855367211 minimum gb energy = 0.44290842887778564 eV minimum distance = 2.40028012603444 Angstroms sigma value = 67 ======================================== theta = 121.00758300686714 ======================================== Energy: 0.7216230572164531 Energy: 0.6347059725001205 Energy: 0.7216230572164531 Energy: 0.6347059725008733 Energy: 0.7216230572164531 Energy: 0.6347059725001205 Energy: 0.6363323762725566 Energy: 0.6804641277236231 Energy: 0.6363323762725566 Energy: 0.6804641277236231 Energy: 0.6363323762725566 Energy: 0.6804641277236231 Energy: 0.6748361565174859 Energy: 0.6797674964155486 Energy: 0.674836156516733 Energy: 0.6797674964155486 Energy: 0.6748361565174859 Energy: 0.6797674964147957 Energy: 0.6951934289177054 Energy: 0.6287974916120885 Energy: 0.6951934289177054 Energy: 0.6287974961698365 Energy: 0.6951934289177054 Energy: 0.6287974918694467 Energy: 0.5634871566926005 Energy: 0.6228715864230052 Energy: 0.5634871566926005 Energy: 0.6228715864230052 Energy: 0.5634871566918478 Energy: 0.6228715864222525 Energy: 0.6710669160220781 Energy: 0.6720774445947032 Energy: 0.6710669160220781 Energy: 0.6720774445947032 Energy: 0.6710669160220781 Energy: 0.6720774445947032 Energy: 0.6667363562112277 Energy: 0.6141146245657703 Energy: 0.6667363562112277 Energy: 0.6141146245748039 Energy: 0.6667363562112277 Energy: 0.6141146245748039 Energy: 0.6160993234622925 Energy: 0.6162276660776479 Energy: 0.6160993234622925 Energy: 0.6162276660753895 Energy: 0.6160993234622925 Energy: 0.6162276660761422 Energy: 0.692721184383525 Energy: 0.7015840778024739 Energy: 0.692721184383525 Energy: 0.7015840778024739 Energy: 0.692721184383525 Energy: 0.7015840778024739 Energy: 0.663646670835139 Energy: 0.5743351622975825 Energy: 0.6636466708343862 Energy: 0.5743351622975825 Energy: 0.663646670835139 Energy: 0.5743351622968298 Energy: 0.6757539425829501 Energy: 0.6762418968703148 Energy: 0.6757539425829501 Energy: 0.6762418968710676 Energy: 0.6757539425829501 Energy: 0.6762418968710676 Energy: 0.6634502946366807 Energy: 0.6674050020137624 Energy: 0.6634502946374334 Energy: 0.6674050020137624 Energy: 0.6634502946374334 Energy: 0.6674050020137624 Energy: 0.6626762760225213 Energy: 0.6267914262912438 Energy: 0.6626762760225213 Energy: 0.626791426290491 Energy: 0.6626762760225213 Energy: 0.6267914262912438 Energy: 0.6592404353073996 Energy: 0.692880565081532 Energy: 0.6592404353066468 Energy: 0.6928805650822848 Energy: 0.6592404353066468 Energy: 0.692880565081532 Energy: 0.6406413371115591 Energy: 0.6357841203027891 Energy: 0.6406413371108063 Energy: 0.6357841203027891 Energy: 0.6406413371115591 Energy: 0.6357841203027891 Energy: 0.6926008300541064 Energy: 0.6457395531388718 Energy: 0.6926008300541064 Energy: 0.6457395531388718 Energy: 0.6926008300541064 Energy: 0.645739553138119 Energy: 0.6446845821797433 Energy: 0.6833478382626688 Energy: 0.6446845821797433 Energy: 0.6833478382626688 Energy: 0.6446845821797433 Energy: 0.6833478382626688 Energy: 0.6543291940152285 Energy: 0.6228783663059967 Energy: 0.6543291940144756 Energy: 0.6228783663059967 Energy: 0.6543291940167341 Energy: 0.6228783663059967 Energy: 0.6764615434540193 Energy: 0.6775062846521457 Energy: 0.6764615434540193 Energy: 0.6775062846513928 Energy: 0.6764615434532666 Energy: 0.6775062846513928 Energy: 0.5663912085047383 Energy: 0.6811427493214874 Energy: 0.5663912085047383 Energy: 0.6811427493207345 Energy: 0.5663912085047383 Energy: 0.6811427493214874 Energy: 0.6927974524786378 Energy: 0.6260215396762121 Energy: 0.6927974524786378 Energy: 0.6260215396769649 Energy: 0.6927974524786378 Energy: 0.6260215396769649 Energy: 0.6930491758482656 Energy: 0.7061384739019092 Energy: 0.6930491758482656 Energy: 0.7061384739011565 Energy: 0.6930491758482656 Energy: 0.7061384739019092 Energy: 0.604149657603416 Energy: 0.6800364707893223 Energy: 0.604149657603416 Energy: 0.6800364707900751 Energy: 0.6041496576041688 Energy: 0.6800364707893223 minimum gb energy = 0.5634871566918478 eV minimum distance = 2.39712670198922 Angstroms sigma value = 33 ======================================== theta = 124.1232945407953 ======================================== Energy: 0.8104637096107307 Energy: 0.6987392166654639 Energy: 0.8104637096097754 Energy: 0.6987392166654639 Energy: 0.810463709610253 Energy: 0.6987392166649865 Energy: 0.7146897068142924 Energy: 0.756439694529585 Energy: 0.71468970681477 Energy: 0.756439694529585 Energy: 0.71468970681477 Energy: 0.7564396945286299 Energy: 0.7597611815706209 Energy: 0.7559431535407509 Energy: 0.7597611815706209 Energy: 0.7559431535402734 Energy: 0.7597611815701435 Energy: 0.7559431535402734 Energy: 0.7686116464611542 Energy: 0.7099420434203496 Energy: 0.7686116464616318 Energy: 0.7099420434179617 Energy: 0.7686116464611542 Energy: 0.7099420434179617 Energy: 0.7151679312631456 Energy: 0.7162697931097519 Energy: 0.7151679312631456 Energy: 0.7162697931097519 Energy: 0.7151679312631456 Energy: 0.7162697931107072 Energy: 0.8021600038188065 Energy: 0.7537065396446498 Energy: 0.8021600038197617 Energy: 0.7537065396441722 Energy: 0.8021600038192841 Energy: 0.7537065396446498 Energy: 0.7160714426737204 Energy: 0.6865825357430599 Energy: 0.7160714426732427 Energy: 0.6865825357421047 Energy: 0.7160714426737204 Energy: 0.6865825357425823 Energy: 0.7562412918369045 Energy: 0.7557025224640426 Energy: 0.7562412918364269 Energy: 0.7557025224640426 Energy: 0.7562412918364269 Energy: 0.7557025224635652 Energy: 0.7429318368340118 Energy: 0.7603052101222125 Energy: 0.7429318368335341 Energy: 0.760305210121735 Energy: 0.7429318368344894 Energy: 0.760305210121735 Energy: 0.7951390682196285 Energy: 0.7135387018329316 Energy: 0.795139068220106 Energy: 0.7135387018338867 Energy: 0.795139068220106 Energy: 0.7135387018329316 Energy: 0.7564420141763368 Energy: 0.7716741018327741 Energy: 0.7564420141768143 Energy: 0.7716741018337293 Energy: 0.7564420141763368 Energy: 0.7716741018332517 Energy: 0.7148802366631836 Energy: 0.7151924781045766 Energy: 0.7148802366636612 Energy: 0.7151924781045766 Energy: 0.7148802366627061 Energy: 0.7151924781045766 Energy: 0.7957217012601296 Energy: 0.7196961185765746 Energy: 0.7957217012606072 Energy: 0.7196961185770522 Energy: 0.7957217012606072 Energy: 0.7196961185765746 Energy: 0.7109532115798354 Energy: 0.7589533994758544 Energy: 0.7109532115793578 Energy: 0.7589533994768095 Energy: 0.7109532115793578 Energy: 0.7589533994758544 Energy: 0.7440664957976701 Energy: 0.7303224774620068 Energy: 0.7440664957976701 Energy: 0.7303224774620068 Energy: 0.7440664957981477 Energy: 0.7303224774620068 Energy: 0.7683923923000053 Energy: 0.7620987511936784 Energy: 0.7683923922995277 Energy: 0.7620987511932009 Energy: 0.7683923923000053 Energy: 0.7620987511936784 Energy: 0.6505673724583638 Energy: 0.7570755744387536 Energy: 0.6505673724583638 Energy: 0.7570755744387536 Energy: 0.6505673724583638 Energy: 0.7570755744387536 Energy: 0.7836408542676538 Energy: 0.7944482631350028 Energy: 0.7836408542681312 Energy: 0.7944482631350028 Energy: 0.7836408542681312 Energy: 0.7944482631354804 Energy: 0.7087798442742776 Energy: 0.8100916881412609 Energy: 0.7087798442742776 Energy: 0.8100916881412609 Energy: 0.7087798442742776 Energy: 0.8100916881412609 Energy: 0.7000238285987107 Energy: 0.7569428126045642 Energy: 0.7000238422782951 Energy: 0.7569428126045642 Energy: 0.7000238217018492 Energy: 0.7569428126040867 Energy: 0.7668553898479589 Energy: 0.7631733446771741 Energy: 0.7668553898479589 Energy: 0.7631733446776517 Energy: 0.7668553898479589 Energy: 0.7631733446771741 Energy: 0.7390600440167632 Energy: 0.6989948582262541 Energy: 0.7390600440172407 Energy: 0.6989948582257764 Energy: 0.7390600440167632 Energy: 0.6989948582257764 Energy: 0.7179951029684064 Energy: 0.7715745016312546 Energy: 0.7179951029679288 Energy: 0.771574501630777 Energy: 0.7179951029674514 Energy: 0.771574501630777 Energy: 0.7955895609207869 Energy: 0.7130344598625283 Energy: 0.7955895609212644 Energy: 0.7130344598630058 Energy: 0.7955895609207869 Energy: 0.7130344598625283 Energy: 0.7138790778862507 Energy: 0.7160354058183622 Energy: 0.7138790778872058 Energy: 0.7160354058183622 Energy: 0.7138790778872058 Energy: 0.7160354058188397 Energy: 0.7305687580050131 Energy: 0.7690796163121554 Energy: 0.7305687580050131 Energy: 0.7690796163116778 Energy: 0.7305687580045356 Energy: 0.7690796163121554 Energy: 0.7132840923925658 Energy: 0.6996374938009106 Energy: 0.7132840923882676 Energy: 0.6996374938009106 Energy: 0.7132840923916106 Energy: 0.6996374938004329 Energy: 0.7635754581057925 Energy: 0.7925537881455857 Energy: 0.7635754581048374 Energy: 0.7925537881451081 Energy: 0.7635754581048374 Energy: 0.7925537881455857 Energy: 0.6990448253772383 Energy: 0.7697286523317153 Energy: 0.6990448252822458 Energy: 0.7697286523331479 Energy: 0.6990448253247058 Energy: 0.7697286523345808 Energy: 0.7095131835747484 Energy: 0.684003855765164 Energy: 0.709513183575226 Energy: 0.6840038557675518 Energy: 0.709513183575226 Energy: 0.6840038557665967 Energy: 0.8059854533219695 Energy: 0.7924423527804628 Energy: 0.805985453322447 Energy: 0.7924423527809404 Energy: 0.805985453321492 Energy: 0.7924423527809404 Energy: 0.6629709563199219 Energy: 0.7569925173277043 Energy: 0.6629709563199219 Energy: 0.756992517328182 Energy: 0.6629709563199219 Energy: 0.756992517328182 Energy: 0.7682449082626283 Energy: 0.7619778786815469 Energy: 0.7682449082631058 Energy: 0.7619778786810693 Energy: 0.7682449082631058 Energy: 0.7619778786815469 Energy: 0.742036203850863 Energy: 0.7563608061074536 Energy: 0.7420362038513406 Energy: 0.7563608061074536 Energy: 0.7420362038513406 Energy: 0.756360806106021 Energy: 0.7127338659137632 Energy: 0.7564702311796183 Energy: 0.7127338659132856 Energy: 0.7564702311796183 Energy: 0.7127338659142408 Energy: 0.7564702311791407 Energy: 0.8097033024614012 Energy: 0.7184307870955357 Energy: 0.8097033024618787 Energy: 0.7184307870955357 Energy: 0.8097033024614012 Energy: 0.7184307870964908 Energy: 0.7146889782155593 Energy: 0.7339989054070571 Energy: 0.7146889782150817 Energy: 0.7339989054070571 Energy: 0.7146889782155593 Energy: 0.7339989054070571 minimum gb energy = 0.6505673724583638 eV minimum distance = 2.36231436626747 Angstroms sigma value = 41 ======================================== theta = 129.5211963586422 ======================================== Energy: 0.8996163715463499 Energy: 0.8261597536098639 Energy: 0.8996163715463499 Energy: 0.8261597536098639 Energy: 0.8996163715463499 Energy: 0.8261597536098639 Energy: 0.8196387144211972 Energy: 0.8524413045564795 Energy: 0.8196387144211972 Energy: 0.8524413045564795 Energy: 0.8196387144198933 Energy: 0.8524413045551756 Energy: 0.8370083551772326 Energy: 0.8516819688966453 Energy: 0.8370083551746248 Energy: 0.8516819688966453 Energy: 0.8370083551772326 Energy: 0.8516819688966453 Energy: 0.9369241947358475 Energy: 0.8820463449572115 Energy: 0.9369241947358475 Energy: 0.8820463449572115 Energy: 0.9369241947358475 Energy: 0.8820463449572115 Energy: 0.8057099764586942 Energy: 0.8332890167608733 Energy: 0.8057099764586942 Energy: 0.8332890167608733 Energy: 0.8057099764586942 Energy: 0.8332890167595695 Energy: 0.9611002073810154 Energy: 0.8942739045925768 Energy: 0.9611002073810154 Energy: 0.8942739045925768 Energy: 0.9611002073810154 Energy: 0.8942739045925768 Energy: 0.8888974086231275 Energy: 0.7967536487272481 Energy: 0.8888974086231275 Energy: 0.7967536487259441 Energy: 0.8888974086231275 Energy: 0.7967536487259441 Energy: 0.8785737668023713 Energy: 0.8559174383079053 Energy: 0.8785737668023713 Energy: 0.8559174383079053 Energy: 0.8785737668023713 Energy: 0.8559174383079053 Energy: 0.8233479556049814 Energy: 0.8257977338016603 Energy: 0.8233479556049814 Energy: 0.8257977338016603 Energy: 0.8233479556049814 Energy: 0.8257977338016603 Energy: 0.8882497417347677 Energy: 0.8503743058358884 Energy: 0.8882497417347677 Energy: 0.8503743058358884 Energy: 0.8882497417347677 Energy: 0.8503743058358884 Energy: 0.7576686458715858 Energy: 0.8517198030266241 Energy: 0.7576686458715858 Energy: 0.8517198030266241 Energy: 0.7576686458728896 Energy: 0.8517198030266241 Energy: 0.8658501941243046 Energy: 0.8690513691318141 Energy: 0.8658501941243046 Energy: 0.8690513691318141 Energy: 0.8658501941243046 Energy: 0.8690513691318141 Energy: 0.8903442477902328 Energy: 0.8799964925289008 Energy: 0.8903442477902328 Energy: 0.8799964925289008 Energy: 0.8903442477889288 Energy: 0.8799964925289008 Energy: 0.8063742185964727 Energy: 0.8557027822200327 Energy: 0.8063742185977767 Energy: 0.8557027822200327 Energy: 0.8063742185990805 Energy: 0.8557027822200327 minimum gb energy = 0.7576686458715858 eV minimum distance = 2.35461345441826 Angstroms sigma value = 11 ======================================== theta = 135.99657265110037 ======================================== Energy: 1.039396966268326 Energy: 1.0004299789765212 Energy: 1.0393969662688989 Energy: 1.0004299789765212 Energy: 1.0393969662688989 Energy: 1.0004299789765212 Energy: 0.9041214924221594 Energy: 0.9643612845323812 Energy: 0.9041214924221594 Energy: 0.9643612845335269 Energy: 0.9041214924221594 Energy: 0.964361284532954 Energy: 0.975640910974398 Energy: 0.9544271599943445 Energy: 0.975640910974398 Energy: 0.9544271599949172 Energy: 0.975640910976689 Energy: 0.9544271599949172 Energy: 0.975921581823346 Energy: 0.893273110910441 Energy: 0.9759215818239187 Energy: 0.893273110910441 Energy: 0.9759215818239187 Energy: 0.893273110910441 Energy: 0.9803435083241486 Energy: 0.9424932350506748 Energy: 0.9803435083241486 Energy: 0.9424932350512476 Energy: 0.9803435083241486 Energy: 0.9424932350506748 Energy: 0.9315919836701593 Energy: 0.9747492979339841 Energy: 0.9315919836707321 Energy: 0.9747492979339841 Energy: 0.9315919836701593 Energy: 0.9747492979345569 Energy: 0.9760581759162731 Energy: 0.9175612734630701 Energy: 0.9760581759162731 Energy: 0.9175612734624973 Energy: 0.9760581759162731 Energy: 0.9175612734630701 Energy: 0.9414241257261902 Energy: 0.9696994209172762 Energy: 0.9414241257256174 Energy: 0.9696994209172762 Energy: 0.9414241257256174 Energy: 0.9696994209172762 Energy: 0.9575571803729501 Energy: 0.964968560355054 Energy: 0.9575571803723774 Energy: 0.964968560355054 Energy: 0.9575571803729501 Energy: 0.9649685603544812 Energy: 0.9508822162242765 Energy: 0.9391127273831936 Energy: 0.9508822162242765 Energy: 0.9391127273831936 Energy: 0.9508822162242765 Energy: 0.9391127273831936 Energy: 0.9085671940486499 Energy: 0.9770331921501049 Energy: 0.9085671940492227 Energy: 0.9770331921495321 Energy: 0.9085671940492227 Energy: 0.9770331921501049 Energy: 0.9417560336364014 Energy: 0.9831577995802955 Energy: 0.9417560336364014 Energy: 0.9831577995808682 Energy: 0.9417560336369741 Energy: 0.9831577995802955 Energy: 0.974282440923651 Energy: 0.9206192513504645 Energy: 0.9742824409230783 Energy: 0.9206192513498918 Energy: 0.9742824409230783 Energy: 0.9206192513504645 Energy: 0.9554066382923521 Energy: 0.9784879951820421 Energy: 0.9554066382923521 Energy: 0.9784879951820421 Energy: 0.9554066382917793 Energy: 0.9784879951820421 Energy: 0.8981718274077545 Energy: 0.9514980791843177 Energy: 0.8981718274077545 Energy: 0.951498079183745 Energy: 0.8981718274077545 Energy: 0.951498079183745 Energy: 0.9786763911179568 Energy: 0.9188828585927402 Energy: 0.9786763911173839 Energy: 0.9188828585933132 Energy: 0.9786763911173839 Energy: 0.9188828585927402 Energy: 0.9117744545865814 Energy: 0.9573932960289374 Energy: 0.9117744545865814 Energy: 0.957393296030083 Energy: 0.9117744545865814 Energy: 0.9573932960283646 Energy: 0.9718118074083157 Energy: 0.9805945705649541 Energy: 0.9718118074094615 Energy: 0.9805945705649541 Energy: 0.9718118074088887 Energy: 0.9805945705643814 Energy: 0.9436143537335425 Energy: 0.8848793181983436 Energy: 0.943614353732397 Energy: 0.8848793181977709 Energy: 0.9436143537335425 Energy: 0.8848793181983436 Energy: 0.931804976053009 Energy: 0.9616826199268278 Energy: 0.9318049760535818 Energy: 0.9616826199268278 Energy: 0.9318049760335599 Energy: 0.9616826199268278 Energy: 0.9165668319171307 Energy: 0.9270949966381948 Energy: 0.9165668319165579 Energy: 0.9270949966381948 Energy: 0.9165668319165579 Energy: 0.9270949966381948 Energy: 1.0050048008548824 Energy: 0.975378093258522 Energy: 1.0050048008548824 Energy: 0.975378093258522 Energy: 1.0050048008554555 Energy: 0.9753780932579492 Energy: 0.9467695926952218 Energy: 0.9487555941489045 Energy: 0.9467695926952218 Energy: 0.9487555941483318 Energy: 0.9571540259507861 Energy: 0.9487555941494773 Energy: 0.9779318957800528 Energy: 0.961390771628135 Energy: 0.9779318957800528 Energy: 0.961390771628135 Energy: 0.9779318957800528 Energy: 0.961390771628135 Energy: 0.9517094311750567 Energy: 0.9393924865791965 Energy: 0.9517094311750567 Energy: 0.9393924865797693 Energy: 0.9517094311750567 Energy: 0.9393924865791965 Energy: 0.9092151841288574 Energy: 0.9575745071611151 Energy: 0.9092151841288574 Energy: 0.9575745071611151 Energy: 0.9092151841288574 Energy: 0.9575745071611151 Energy: 0.9376486297655942 Energy: 0.9869018687247711 Energy: 0.9376486297661669 Energy: 0.9869018687247711 Energy: 0.9376486297661669 Energy: 0.9869018687253439 Energy: 0.9734303812285667 Energy: 0.9311450100350296 Energy: 0.973430381227994 Energy: 0.9311450100350296 Energy: 0.973430381227994 Energy: 0.9311450100350296 Energy: 0.9474316432460363 Energy: 0.989704414314771 Energy: 0.9474316432460363 Energy: 0.989704414314771 Energy: 0.9474316432460363 Energy: 0.9897044143141982 Energy: 0.933503552290857 Energy: 0.8964751646177676 Energy: 0.9335035522902843 Energy: 0.8964751646177676 Energy: 0.933503552290857 Energy: 0.8964751646177676 Energy: 0.9488419363360522 Energy: 0.9870827871742647 Energy: 0.9488419363360522 Energy: 0.9870827871748377 Energy: 0.9488419363360522 Energy: 0.9870827871748377 minimum gb energy = 0.8848793181977709 eV minimum distance = 2.32144403064615 Angstroms sigma value = 57 ======================================== theta = 141.05755873101862 ======================================== Energy: 0.9151962893931366 Energy: 0.8905510447655715 Energy: 0.9151962893931366 Energy: 0.8905510447655715 Energy: 0.9151962893941558 Energy: 0.8905510447655715 Energy: 0.9586194500151034 Energy: 0.919332601092003 Energy: 0.9586194500151034 Energy: 0.919332601092003 Energy: 0.9586194500151034 Energy: 0.919332601092003 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9829751137435192 Energy: 0.9182548412128151 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9256713416013499 Energy: 0.9901659226125429 Energy: 0.9256713416013499 Energy: 0.9901659226125429 Energy: 0.9256713416013499 Energy: 1.0821940169580884 Energy: 0.9828931975066678 Energy: 0.918245488455716 Energy: 0.9828931975066678 Energy: 0.918245488455716 Energy: 0.9828931975066678 Energy: 0.9182454884546967 Energy: 0.9586321293490879 Energy: 0.9195082840825335 Energy: 0.9586321293490879 Energy: 0.9195082840825335 Energy: 0.9586321293490879 Energy: 0.9195082840835528 Energy: 0.9151962893941558 Energy: 0.8905510447655715 Energy: 0.9151962893941558 Energy: 0.8905510447655715 Energy: 0.9151962893941558 Energy: 0.8905510447655715 Energy: 0.9586194500161226 Energy: 0.919332601092003 Energy: 0.9586194500161226 Energy: 0.919332601092003 Energy: 0.9586194500161226 Energy: 0.919332601092003 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9829751137435192 Energy: 0.9182548412138344 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9256713416013499 Energy: 1.0120175446333561 Energy: 0.9256713416013499 Energy: 1.0120175446333561 Energy: 0.9256713416013499 Energy: 1.0397276131826614 Energy: 0.9828931975066678 Energy: 0.918245488455716 Energy: 0.9828931975066678 Energy: 0.9182454884546967 Energy: 0.9828931975066678 Energy: 0.918245488455716 Energy: 0.9586321293490879 Energy: 0.9195082840825335 Energy: 0.9586321293490879 Energy: 0.9195082840825335 Energy: 0.9586321293490879 Energy: 0.9195082840825335 Energy: 0.9151962893941558 Energy: 0.8905510447655715 Energy: 0.9151962893931366 Energy: 0.8905510447655715 Energy: 0.9151962893941558 Energy: 0.8905510447655715 Energy: 0.9586194500151034 Energy: 0.919332601092003 Energy: 0.9586194500151034 Energy: 0.919332601092003 Energy: 0.9586194500151034 Energy: 0.919332601092003 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9829751137424999 Energy: 0.9182548412128151 Energy: 0.9256713416023691 Energy: 1.0030512297017096 Energy: 0.9256713416013499 Energy: 1.0207076127695986 Energy: 0.9256713416013499 Energy: 0.9378554004857454 Energy: 0.9828931975066678 Energy: 0.9182454884546967 Energy: 0.9828931975066678 Energy: 0.9182454884546967 Energy: 0.9828931975066678 Energy: 0.9182454884546967 minimum gb energy = 0.8905510447655715 eV minimum distance = 2.34026347427252 Angstroms sigma value = 9 ======================================== theta = 148.41366190347208 ======================================== Energy: 0.9926340369760401 Energy: 1.009662496351974 Energy: 0.9926340369760401 Energy: 1.009662496351974 Energy: 0.9926340369760401 Energy: 1.009662496351974 Energy: 0.9581263273825851 Energy: 0.9553972898653239 Energy: 0.9581263273825851 Energy: 0.9553972898653239 Energy: 0.9581263273825851 Energy: 0.9553972898653239 Energy: 0.9448019515373833 Energy: 0.9563303376800248 Energy: 0.9448019515373833 Energy: 0.9563303376791927 Energy: 0.9448019515373833 Energy: 0.9563303376791927 Energy: 0.9385093495468863 Energy: 0.9954849540687624 Energy: 0.9385093495460539 Energy: 0.9954849540687624 Energy: 0.9385093495460539 Energy: 0.9954849540687624 Energy: 0.9522721198140098 Energy: 0.9229632878777965 Energy: 0.9522721198140098 Energy: 0.9229632878786287 Energy: 0.9522721198148422 Energy: 0.9229632878786287 Energy: 0.9678521524805045 Energy: 0.9715162573462961 Energy: 0.9678521524805045 Energy: 0.9715162573462961 Energy: 0.9678521524805045 Energy: 0.9715162573462961 Energy: 0.9506560236796934 Energy: 0.9656428776838824 Energy: 0.9506560236796934 Energy: 0.9656428776830501 Energy: 0.9506560236796934 Energy: 0.9656428776838824 Energy: 0.9405838678492411 Energy: 0.9821465624753912 Energy: 0.9405838678500732 Energy: 0.9821465624762233 Energy: 0.9405838678500732 Energy: 0.9821465624753912 Energy: 1.0057347060271469 Energy: 0.9459943259656809 Energy: 1.0057347060271469 Energy: 0.9459943259648487 Energy: 1.005734706027979 Energy: 0.9459943259656809 Energy: 0.9401392665905596 Energy: 0.945831981473202 Energy: 0.9401392665913917 Energy: 0.945831981473202 Energy: 0.9401392665913917 Energy: 0.9458319814740342 Energy: 0.9256474992002011 Energy: 0.9564012785101307 Energy: 0.925647499199369 Energy: 0.9564012785101307 Energy: 0.925647499199369 Energy: 0.9564012785101307 Energy: 0.9938894695137507 Energy: 0.9691930833112742 Energy: 0.9938894695137507 Energy: 0.9691930833112742 Energy: 0.9938894695145829 Energy: 0.9691930833112742 Energy: 0.9362028081115144 Energy: 0.9774000620669385 Energy: 0.9362028081123466 Energy: 0.9774000620669385 Energy: 0.9362028081115144 Energy: 0.9774000620669385 Energy: 0.9560245926594175 Energy: 0.9470362638857615 Energy: 0.9560245926594175 Energy: 0.9470362638857615 Energy: 0.9560245926594175 Energy: 0.9470362638857615 Energy: 0.9667452587453426 Energy: 0.9570268308918581 Energy: 0.9667452587453426 Energy: 0.9570268308926905 Energy: 0.9997892306939025 Energy: 0.9570268308918581 Energy: 1.0088552376642097 Energy: 0.9654190836146546 Energy: 1.0088552376658741 Energy: 0.9654190836138221 Energy: 1.0088552376667064 Energy: 0.9654190836146546 Energy: 0.9453626290264301 Energy: 0.9691107917276673 Energy: 0.9453626290264301 Energy: 0.9691107917276673 Energy: 0.9453626290264301 Energy: 0.9691107917276673 Energy: 1.0253909506680134 Energy: 0.9586470672606322 Energy: 1.0253909506680134 Energy: 0.9586470672606322 Energy: 1.0253909506680134 Energy: 0.9586470672606322 Energy: 0.9426379732807064 Energy: 0.9506399612468064 Energy: 0.9426379732807064 Energy: 0.9506399612468064 Energy: 0.9426379732807064 Energy: 0.9506399612468064 Energy: 0.9459280150316234 Energy: 0.9226662643315684 Energy: 0.9459280150324556 Energy: 0.9226662643307363 Energy: 0.9459280150324556 Energy: 0.9226662643315684 Energy: 0.9955193692357408 Energy: 0.959179066604825 Energy: 0.9955193692349086 Energy: 0.9591790666039928 Energy: 0.9955193692349086 Energy: 0.959179066604825 minimum gb energy = 0.9226662643307363 eV minimum distance = 2.3320140219195 Angstroms sigma value = 27 ======================================== theta = 153.4746479833903 ======================================== Energy: 0.9739733370828638 Energy: 0.9213580191091596 Energy: 0.9296210953036768 Energy: 0.9213580191091596 Energy: 0.9739733370828638 Energy: 0.9213580191091596 Energy: 0.9433067655926278 Energy: 0.9084011214643274 Energy: 0.9433067655919263 Energy: 0.9084011214643274 Energy: 0.9433067655926278 Energy: 0.908401121463626 Energy: 0.9127609640174574 Energy: 0.927760820653578 Energy: 0.912760964018159 Energy: 0.927760820653578 Energy: 0.912760964018159 Energy: 0.927760820653578 Energy: 0.9104274013211616 Energy: 0.9913274994627945 Energy: 0.9104274013211616 Energy: 0.9913274994627945 Energy: 0.9104274013211616 Energy: 0.9913274994627945 Energy: 0.9101512684599941 Energy: 0.8667977446770309 Energy: 0.9101512684599941 Energy: 0.8667977446770309 Energy: 0.9101512684599941 Energy: 0.8667977446770309 Energy: 0.9207592241165595 Energy: 0.9333608069830737 Energy: 0.9207592241172613 Energy: 0.9333608069830737 Energy: 0.9207592241172613 Energy: 0.9333608069830737 Energy: 0.9291367644218379 Energy: 0.9306834225879526 Energy: 0.9291367644218379 Energy: 0.9306834225879526 Energy: 0.9291367644218379 Energy: 0.9306834225879526 Energy: 1.0065217454861846 Energy: 0.9515082039594576 Energy: 1.0065217454861846 Energy: 0.9515082039594576 Energy: 1.0065217454861846 Energy: 0.9515082039594576 Energy: 0.8692388106706809 Energy: 0.9325604865223033 Energy: 0.8692388106706809 Energy: 0.9325604865230048 Energy: 0.8692388106706809 Energy: 0.9325604865230048 Energy: 0.9111210344363104 Energy: 0.869435638557044 Energy: 0.9111210344363104 Energy: 0.869435638557044 Energy: 0.9111210344363104 Energy: 0.869435638557044 Energy: 0.9108867584627893 Energy: 0.9184270149141808 Energy: 0.9108867584627893 Energy: 0.9184270149141808 Energy: 0.9108867584627893 Energy: 0.9184270149141808 Energy: 0.9284084608864906 Energy: 0.929935303521557 Energy: 0.9284084608864906 Energy: 0.929935303521557 Energy: 0.9284084608864906 Energy: 0.929935303521557 Energy: 0.952829864184655 Energy: 1.0278018277436545 Energy: 0.9528298641839534 Energy: 1.0278018277436545 Energy: 0.9528298641839534 Energy: 1.0278018277436545 Energy: 0.9292048042644812 Energy: 0.8696058325215622 Energy: 0.9292048042644812 Energy: 0.8696058325208607 Energy: 0.9292048042644812 Energy: 0.8696058325208607 Energy: 0.9290458893673801 Energy: 0.9330511961223167 Energy: 0.9290458893673801 Energy: 0.9330511961223167 Energy: 0.9290458893680816 Energy: 0.9330511961223167 Energy: 0.9100183991417817 Energy: 0.8674062115008472 Energy: 0.9100183991417817 Energy: 0.8674062115008472 Energy: 0.9100183991417817 Energy: 0.8674062115008472 Energy: 0.9365108079103371 Energy: 0.9146818818929529 Energy: 0.9365108079096356 Energy: 0.9146818818929529 Energy: 0.9365108079096356 Energy: 0.9146818818922511 Energy: 0.9899582008082873 Energy: 0.9133945419575611 Energy: 0.9899582008075859 Energy: 0.9133945419575611 Energy: 0.9899582008068843 Energy: 0.9133945419575611 Energy: 0.9166595542217467 Energy: 0.9085232721577837 Energy: 0.877994363269318 Energy: 0.9085232721577837 Energy: 0.9166595542224485 Energy: 0.9085232721577837 Energy: 0.9739733370828638 Energy: 0.9213580191091596 Energy: 0.9296210953036768 Energy: 0.9213580191091596 Energy: 0.9739733370828638 Energy: 0.9213580191091596 Energy: 0.9433067655926278 Energy: 0.9084011214643274 Energy: 0.9433067655926278 Energy: 0.9084011214643274 Energy: 0.9433067655926278 Energy: 0.9084011214643274 Energy: 0.9127609640174574 Energy: 0.927760820653578 Energy: 0.9127609640174574 Energy: 0.927760820653578 Energy: 0.9127609640174574 Energy: 0.9277608206542796 Energy: 0.9104274013218634 Energy: 0.9913274994627945 Energy: 0.9104274013211616 Energy: 0.9913274994627945 Energy: 0.9104274013218634 Energy: 0.9913274994627945 Energy: 0.9101512684599941 Energy: 0.8667977446770309 Energy: 0.9101512684599941 Energy: 0.8667977446770309 Energy: 0.9101512684599941 Energy: 0.8667977446770309 Energy: 0.9207592241165595 Energy: 0.9333608069837751 Energy: 0.9207592241165595 Energy: 0.9333608069837751 Energy: 0.9207592241165595 Energy: 0.9333608069837751 minimum gb energy = 0.8667977446770309 eV minimum distance = 2.35326156719396 Angstroms sigma value = 19 ======================================== theta = 157.15649268207542 ======================================== Energy: 0.9324015293616977 Energy: 1.0531621267165883 Energy: 0.9324015293616977 Energy: 1.0531621267165883 Energy: 0.9324015293616977 Energy: 1.0531621267165883 Energy: 0.9311766627666838 Energy: 0.9129303102145523 Energy: 0.9311766627660781 Energy: 0.9129303102139467 Energy: 0.9311766627660781 Energy: 0.9129303102145523 Energy: 0.9187546341477414 Energy: 0.8803201558651382 Energy: 0.9187546341483468 Energy: 0.8803201558651382 Energy: 0.9187546341483468 Energy: 0.8803201558651382 Energy: 0.8925301155958816 Energy: 0.9321222795073237 Energy: 0.8925301155958816 Energy: 0.9321222795073237 Energy: 0.8925301155958816 Energy: 0.9321222795073237 Energy: 0.9047317918819224 Energy: 0.9530793394003018 Energy: 0.9047317918819224 Energy: 0.9530793394009073 Energy: 0.9047317918819224 Energy: 0.9530793394003018 Energy: 0.9443138518191021 Energy: 0.9019631258907604 Energy: 0.9443138518191021 Energy: 0.9019631258907604 Energy: 0.9443138518184967 Energy: 0.9019631258907604 Energy: 0.8733195281275421 Energy: 1.0711272809898957 Energy: 0.8733195281275421 Energy: 1.07112728098929 Energy: 0.8733195281275421 Energy: 1.07112728098929 Energy: 0.9087376319762986 Energy: 0.9310236832726109 Energy: 0.9087376319762986 Energy: 0.9310236832713998 Energy: 0.9087376319769043 Energy: 0.9310236832732165 Energy: 0.9516651376419066 Energy: 0.8790930157121843 Energy: 0.9516651376419066 Energy: 0.8790930157121843 Energy: 0.9516651376419066 Energy: 0.8790930157121843 Energy: 0.9421268645451087 Energy: 0.9244442458178078 Energy: 0.9421268645457145 Energy: 0.9244442458172022 Energy: 0.9421268645451087 Energy: 0.9244442458172022 Energy: 0.8805953043276415 Energy: 1.0109909592293231 Energy: 0.8805953043276415 Energy: 1.0109909592287174 Energy: 0.8805953043276415 Energy: 1.0109909592293231 Energy: 0.9398068796062299 Energy: 0.8792194284292687 Energy: 0.9398068796062299 Energy: 0.8792194284298741 Energy: 0.9398068796062299 Energy: 0.8792194284298741 Energy: 0.9240548795378662 Energy: 0.9122996029575425 Energy: 0.9240548795384718 Energy: 0.9122996029575425 Energy: 0.9240548795378662 Energy: 0.912299602958148 Energy: 0.8998594453558206 Energy: 0.9323481571318006 Energy: 0.8998594453558206 Energy: 0.9323481571318006 Energy: 0.8998594453564264 Energy: 0.9323481571318006 Energy: 0.9406119111803343 Energy: 0.8887007314303814 Energy: 0.9406119111803343 Energy: 0.8887007314303814 Energy: 0.9406119111803343 Energy: 0.8887007314303814 Energy: 0.9172549178850892 Energy: 0.8791052018299764 Energy: 0.9172549178856947 Energy: 0.8791052018299764 Energy: 0.9172549178856947 Energy: 0.8791052018299764 Energy: 0.8923375922178352 Energy: 0.9254399349074311 Energy: 0.8923375922178352 Energy: 0.9254399349074311 Energy: 0.8923375922178352 Energy: 0.9254399349074311 Energy: 0.9285400332126205 Energy: 0.9461957245572987 Energy: 0.9285400332126205 Energy: 0.9461957245572987 Energy: 0.9285400332126205 Energy: 0.94619572455851 Energy: 0.9044231442972425 Energy: 0.8998050904556817 Energy: 0.9044231442972425 Energy: 0.8998050904550761 Energy: 0.9044231442966367 Energy: 0.8998050904556817 Energy: 0.9065870004702644 Energy: 0.9225272132761108 Energy: 0.9065870004708702 Energy: 0.9225272132761108 Energy: 0.9065870004702644 Energy: 0.9225272132761108 Energy: 0.8655426890709345 Energy: 0.9283815684884599 Energy: 0.8655426890709345 Energy: 0.9283815684884599 Energy: 0.8655426890715401 Energy: 0.9283815684890655 Energy: 0.9531154744888587 Energy: 0.8795917322249027 Energy: 0.9531154744888587 Energy: 0.8795917322249027 Energy: 0.9531154744888587 Energy: 0.8795917322249027 Energy: 0.969101636501105 Energy: 0.9330690162454577 Energy: 0.969101636501105 Energy: 0.9330690162454577 Energy: 0.969101636501105 Energy: 0.9330690162454577 Energy: 0.9236975532681481 Energy: 0.9255335852635809 Energy: 0.9236975532693593 Energy: 0.9255335852635809 Energy: 0.9236975532687538 Energy: 0.9255335852635809 Energy: 0.9075407602094194 Energy: 0.906105986857424 Energy: 0.907540760208814 Energy: 0.906105986857424 Energy: 0.907540760208814 Energy: 0.906105986857424 Energy: 0.9248756232018556 Energy: 0.898255793157367 Energy: 0.9248756232012502 Energy: 0.898255793157367 Energy: 0.9248756232018556 Energy: 0.898255793157367 Energy: 0.8710597850161789 Energy: 0.9224225584085878 Energy: 0.8710597850167843 Energy: 0.9224225584085878 Energy: 0.8710597850167843 Energy: 0.9224225584085878 Energy: 0.935183908688029 Energy: 0.9092969228318779 Energy: 0.935183908688029 Energy: 0.9092969228318779 Energy: 0.9351839086874235 Energy: 0.9092969228318779 Energy: 0.9362281401754871 Energy: 0.8987857715574975 Energy: 0.9362281401754871 Energy: 0.8987857715581029 Energy: 0.9362281401754871 Energy: 0.8987857715574975 minimum gb energy = 0.8655426890709345 eV minimum distance = 2.3333316705234 Angstroms sigma value = 101 ======================================== theta = 159.95002427584853 ======================================== Energy: 0.8700293587821454 Energy: 0.9410085600494851 Energy: 0.8700293587821454 Energy: 0.9410085600494851 Energy: 0.8700293587826776 Energy: 0.9410085600494851 Energy: 0.9248384511146165 Energy: 0.8855822648039201 Energy: 0.9248384511146165 Energy: 0.8855822648039201 Energy: 0.9248384511130197 Energy: 0.8855822648033879 Energy: 0.8586050544148464 Energy: 0.841845425615595 Energy: 0.8586050544127172 Energy: 0.841845425615595 Energy: 0.8586050544148464 Energy: 0.8418454256161274 Energy: 0.8254791743998328 Energy: 0.9025498495864429 Energy: 0.8254791744003651 Energy: 0.9025498495859103 Energy: 0.8254791743998328 Energy: 0.9025498495859103 Energy: 0.8682641830059892 Energy: 0.8590449209426186 Energy: 0.8682641830059892 Energy: 0.8590449209442155 Energy: 0.8682641830059892 Energy: 0.8590449209436832 Energy: 0.9199110502733585 Energy: 0.8418582042536148 Energy: 0.919911050273891 Energy: 0.8418582042536148 Energy: 0.9199110502733585 Energy: 0.8418582042536148 Energy: 0.8688428930317114 Energy: 0.8934659885060049 Energy: 0.868842893031179 Energy: 0.8934659885049403 Energy: 0.868842893031179 Energy: 0.8934659885054725 Energy: 0.8249014348912863 Energy: 0.8925380341479421 Energy: 0.8249014348912863 Energy: 0.8925380341479421 Energy: 0.8249014348912863 Energy: 0.8925380341479421 Energy: 0.9181948583325976 Energy: 0.8425023825970074 Energy: 0.9181948583325976 Energy: 0.8425023825970074 Energy: 0.9181948583325976 Energy: 0.8425023825964751 Energy: 0.8686073235123242 Energy: 0.9079657365131951 Energy: 0.8686073235117918 Energy: 0.9079657365131951 Energy: 0.8686073235123242 Energy: 0.9087243581571546 Energy: 0.8241184890326066 Energy: 0.9687073573168541 Energy: 0.8241184890326066 Energy: 0.9687073573173864 Energy: 0.8241184890331391 Energy: 0.9687073573168541 Energy: 0.9341536454988982 Energy: 0.8855091537631855 Energy: 0.934153645498366 Energy: 0.8855091537631855 Energy: 0.9341536454988982 Energy: 0.8855091537631855 Energy: 0.8995768072708052 Energy: 0.8425058385827093 Energy: 0.8995768072713375 Energy: 0.8425058385832416 Energy: 0.8995768072708052 Energy: 0.8425058385827093 Energy: 0.8700721884455574 Energy: 0.8943740108572159 Energy: 0.8700721884455574 Energy: 0.8943740108566836 Energy: 0.8700721884455574 Energy: 0.8943740108572159 Energy: 0.9208895579595744 Energy: 0.8618683103196012 Energy: 0.9208895579611713 Energy: 0.8618683103185366 Energy: 0.9208895579595744 Energy: 0.8618683103185366 Energy: 0.8586952625464307 Energy: 0.8563062944073212 Energy: 0.8586952625448337 Energy: 0.856306294406789 Energy: 0.85869526254856 Energy: 0.856306294406789 Energy: 0.8220444058614145 Energy: 0.9038443728601905 Energy: 0.8220444058614145 Energy: 0.9038443728596582 Energy: 0.8220444058603499 Energy: 0.9038443728596582 Energy: 0.8204631040500758 Energy: 0.9252093522533649 Energy: 0.8204631040506081 Energy: 0.9252093522533649 Energy: 0.8204631040500758 Energy: 0.9252093522538972 Energy: 0.9182900943726428 Energy: 0.8425958798448516 Energy: 0.9182900943726428 Energy: 0.8425958798448516 Energy: 0.9182900943715782 Energy: 0.8425958798448516 Energy: 0.8437240342438194 Energy: 0.9078232068270972 Energy: 0.8437240342438194 Energy: 0.9078232068270972 Energy: 0.8437240342438194 Energy: 0.9078232068276297 Energy: 0.8242728785987301 Energy: 0.9709581121624365 Energy: 0.8242728785987301 Energy: 0.9709581121619043 Energy: 0.8242728785981978 Energy: 0.9709581121619043 Energy: 1.0478605033106985 Energy: 0.8373657308416868 Energy: 1.0478605033112307 Energy: 0.8373657308416868 Energy: 1.0478605033101662 Energy: 0.8373657308416868 Energy: 0.9158533755379499 Energy: 0.8374981794151751 Energy: 0.9158533755384821 Energy: 0.8374981794151751 Energy: 0.9158533755374175 Energy: 0.8374981794146428 Energy: 0.8250779966373739 Energy: 0.9152653316130506 Energy: 0.8250779966373739 Energy: 0.9152653316130506 Energy: 0.8250779966373739 Energy: 0.9152653316135829 Energy: 0.9374417634720736 Energy: 0.8756821648149312 Energy: 0.9374417634731385 Energy: 0.8756821648149312 Energy: 0.9374417634726061 Energy: 0.8756821648149312 Energy: 0.899248549001753 Energy: 0.8415638067870547 Energy: 0.899248549001753 Energy: 0.8415638067870547 Energy: 0.899248549001753 Energy: 0.8415638067870547 Energy: 0.8697147932592724 Energy: 0.8964583976256222 Energy: 0.8697147932592724 Energy: 0.8964583976256222 Energy: 0.8697147932592724 Energy: 0.8964583976256222 Energy: 0.8698540844214298 Energy: 0.9120792970725055 Energy: 0.869854084421962 Energy: 0.9120792970730377 Energy: 0.8698540844230266 Energy: 0.9120792970725055 Energy: 0.9080745850675875 Energy: 0.8530712570933202 Energy: 0.9080745850670552 Energy: 0.8530712570933202 Energy: 0.9080745850675875 Energy: 0.8530712570933202 Energy: 0.821028811000975 Energy: 0.9023046784013702 Energy: 0.821028811000975 Energy: 0.9023046784019024 Energy: 0.821028811000975 Energy: 0.9023046784019024 Energy: 0.8220556086142552 Energy: 0.8824853142845369 Energy: 0.8220556086142552 Energy: 0.8824853142845369 Energy: 0.8220556086142552 Energy: 0.8824853142840047 Energy: 0.9173503263510612 Energy: 0.8372537009055878 Energy: 0.9173503263515934 Energy: 0.8372537009061202 Energy: 0.9173503263515934 Energy: 0.8372537009066524 Energy: 0.9270466968836989 Energy: 0.8374203715093086 Energy: 0.9270466968831667 Energy: 0.8374203715093086 Energy: 0.9270466968826343 Energy: 0.8374203715093086 minimum gb energy = 0.8204631040500758 eV minimum distance = 2.34868570458128 Angstroms sigma value = 33 ======================================== theta = 180.0 ======================================== Energy: 0.015442447860618162 Energy: 0.6111898182014843 Energy: 0.015442447860618162 Energy: 0.6111898182014843 Energy: 0.015442447860618162 Energy: 0.6111898182014843 Energy: 0.01693506418000384 Energy: 0.25877857584089964 Energy: 0.01693506418000384 Energy: 0.25877857584089964 Energy: 0.01693506418000384 Energy: 0.25877857584045744 Energy: 0.8326621195307798 Energy: 0.2586527682969739 Energy: 0.8326621195294776 Energy: 0.2586527682969739 Energy: 0.832662119522573 Energy: 0.2586527682969739 Energy: 0.01693506418000384 Energy: 0.25877857584045744 Energy: 0.01693506418044613 Energy: 0.25877857584089964 Energy: 0.01693506418044613 Energy: 0.25877857584045744 minimum gb energy = 0.015442447860618162 eV minimum distance = 2.54740360099856 Angstroms sigma value = 1