Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0469995588064185
cohesive_energy=3.357264043064316
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1664952880274798e-19, 2.7606144274473597e-19, 3.1818426862922997e-19, 3.5114104199061e-19, 3.7820180533887e-19, 4.01053650669612e-19, 4.20693131849184e-19, 4.37769130414356e-19, 4.527254492927459e-19, 4.65882523811154e-19, 4.774806804646799e-19, 4.87704169566234e-19, 4.967019935427779e-19, 5.0458950911196e-19, 5.11466051225088e-19, 5.17410126537228e-19, 5.22489026467008e-19, 5.26762031549886e-19, 5.30278809261516e-19, 5.3308261837101595e-19, 5.35208706764334e-19, 5.36693924504052e-19, 5.375655085929479e-19, 5.378506960338e-19, 5.375430781200719e-19, 5.365513307836259e-19, 5.34755290776912e-19, 5.32012364379504e-19, 5.28154323044832e-19, 5.22977690340378e-19, 5.16238935417774e-19, 5.076400534230959e-19, 4.96823758966962e-19, 4.83347851298388e-19, 4.6666598818518e-19, 4.46100448911156e-19, 4.2079887550702795e-19, 3.89687809628016e-19, 3.51382970662344e-19, 3.0410594254627197e-19, 2.45515945217526e-19, 1.7250956253604797e-19, 8.089117455038218e-20, -3.5102248091969396e-20, -1.8356137695737998e-19, -3.7625676290519395e-19, -6.31078150012992e-19, -9.762558905718538e-19, -1.4583043766200678e-18, -2.15750707711074e-18, -3.2201827731439197e-18, -4.93041019934088e-18, -7.883029474606799e-18, -1.345033692949536e-17]
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: 0.010331951148411818
Energy: 0.010903915341025198
Energy: 0.010889384852202512
Energy: 0.011975357323753837
Energy: 0.1561025060592172
Energy: 0.010745267368018315
Energy: 0.010910099151484585
Energy: 0.04427746387571284
Energy: 0.045581911097303425
Energy: 0.1134672346590688
Energy: 0.06383876711512333
Energy: 0.04532468720120703
Energy: 0.01077805705029192
Energy: 0.04559311629899236
Energy: 0.044902649944339845
Energy: 0.010821756196957603
Energy: 0.06498539244303239
Energy: 0.044545874286699844
Energy: 0.011975357323976265
Energy: 0.11346723465881858
Energy: 0.011112252098015519
Energy: 0.01241867939525744
Energy: 0.13240372022929506
Energy: 0.010793324433142765
Energy: 0.1561025060592172
Energy: 0.06383843543559554
Energy: 0.06498539242028935
Energy: 0.13238473000320863
Energy: 0.19489949206340684
Energy: 0.06455105523985505
Energy: 0.010741329083535714
Energy: 0.045324687201429466
Energy: 0.04454587428644961
Energy: 0.010794060607178588
Energy: 0.06455105523985505
Energy: 0.010845929703560511

minimum gb energy = 0.010331951148411818 eV
minimum distance =  2.85223291898346 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.564524136673383
Energy: 0.5266164073344127
Energy: 0.40980043824522605
Energy: 0.34224967374028886
Energy: 0.5482410925354851
Energy: 0.3822157453451935
Energy: 0.46400950913783023
Energy: 0.36406889414931654
Energy: 0.36382128913565526
Energy: 0.455632231145188
Energy: 0.36806573212028204
Energy: 0.3631233910193771
Energy: 0.459321053304801
Energy: 0.3666724073336708
Energy: 0.3680547424976926
Energy: 0.4594618342710614
Energy: 0.36671968418092166
Energy: 0.36560930145680365
Energy: 0.427519311888827
Energy: 0.510257657378744
Energy: 0.3892068258256554
Energy: 0.4061177614804184
Energy: 0.4772632412520253
Energy: 0.38759871302599663
Energy: 0.46388505268106944
Energy: 0.3757313669450331
Energy: 0.36220916481086207
Energy: 0.4649345500552736
Energy: 0.3733369673259407
Energy: 0.36043484092792943
Energy: 0.43925464735215997
Energy: 0.359964495471934
Energy: 0.36585217382557467
Energy: 0.4336146927874653
Energy: 0.35995028123816125
Energy: 0.43569641901919004
Energy: 0.43927067029911293
Energy: 0.4303666340861761
Energy: 0.4083784585910878
Energy: 0.439763534932383
Energy: 0.4384545114275602
Energy: 0.4332940974304083
Energy: 0.45753772015299377
Energy: 0.4645287020834643
Energy: 0.4296573636414788
Energy: 0.4300593913567969
Energy: 0.4305110715601188
Energy: 0.4916415984363662
Energy: 0.37004466125403757
Energy: 0.41375192867360056
Energy: 0.4138052790200034
Energy: 0.37103356864632864
Energy: 0.43696494847591855
Energy: 0.39637311692923627
Energy: 0.37306913418552035
Energy: 0.4281909610855656
Energy: 0.3609218412812501
Energy: 0.37391663422661636
Energy: 0.45555783170953784
Energy: 0.3604169375215757
Energy: 0.47152916850162185
Energy: 0.4850425214665542
Energy: 0.4827372660037312
Energy: 0.4730132860109557
Energy: 0.43422230765187664
Energy: 0.38043433264976273
Energy: 0.37771962868500203
Energy: 0.40457810930919136
Energy: 0.36358939146188135
Energy: 0.37848348953942373
Energy: 0.4456164618329201
Energy: 0.3677166754633052
Energy: 0.36924959903906207
Energy: 0.40698397328116726
Energy: 0.3635353574236708
Energy: 0.36788190986973257
Energy: 0.4558704200699503
Energy: 0.36402956374384426
Energy: 0.5278482056516244
Energy: 0.49787871756328317
Energy: 0.4950524939591729
Energy: 0.5285311527775358
Energy: 0.41105317256969653
Energy: 0.45397420229990604
Energy: 0.36154297294583404
Energy: 0.3586962178635744
Energy: 0.3594387528970348
Energy: 0.36230211339354573
Energy: 0.4261327127400173
Energy: 0.35964805182168014
Energy: 0.3697158343854618
Energy: 0.3808613074855065
Energy: 0.3808653073709323
Energy: 0.3703296565660439
Energy: 0.4752956934380263
Energy: 0.36168733174309764
Energy: 0.4482479286527045
Energy: 0.439206282573905
Energy: 0.45836285635745355
Energy: 0.4486877568108536
Energy: 0.44549375164758687
Energy: 0.4561590850637335
Energy: 0.40501943093291043
Energy: 0.3832264807348157
Energy: 0.376272234641175
Energy: 0.4058106790577677
Energy: 0.4580979500505594
Energy: 0.4017048135808164
Energy: 0.4044901848290325
Energy: 0.41924049881961467
Energy: 0.4428563532759733
Energy: 0.4054386711639222
Energy: 0.4059219412820788
Energy: 0.3938027755198797
Energy: 0.45634894019759037
Energy: 0.40396519213751125
Energy: 0.4063577593239205
Energy: 0.4571738386399801
Energy: 0.4049683450781551
Energy: 0.38554005505243466
Energy: 0.41604134946236104
Energy: 0.48639815553341886
Energy: 0.39690999304370034
Energy: 0.41700516981925406
Energy: 0.44804679527796154
Energy: 0.35175026958387906
Energy: 0.44713571859543694
Energy: 0.358789923550802
Energy: 0.35102846588860004
Energy: 0.4483382287711247
Energy: 0.35838701902598336
Energy: 0.35727589609908394
Energy: 0.46438727513088207
Energy: 0.36237303588016695
Energy: 0.3602888574445109
Energy: 0.46546185756327524
Energy: 0.36385420421863185
Energy: 0.3600130232262062

minimum gb energy = 0.34224967374028886 eV
minimum distance =  2.43424771501325 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 0.6745127551725678
Energy: 0.5255140228304856
Energy: 0.5119663203417419
Energy: 0.5150912747651968
Energy: 0.5493820587089375
Energy: 0.5139261097828165
Energy: 0.48690405644320184
Energy: 0.3683440759151936
Energy: 0.36814436246332805
Energy: 0.4648964721186613
Energy: 0.37152691062779897
Energy: 0.3813074484621916
Energy: 0.4593957049600817
Energy: 0.44659689716379136
Energy: 0.36719256616171625
Energy: 0.4603290879448462
Energy: 0.37366965381703804
Energy: 0.40562593836929806
Energy: 0.4803016540666901
Energy: 0.5650598603496302
Energy: 0.583571420921077
Energy: 0.45985041529270493
Energy: 0.5909887079594675
Energy: 0.4980757224634317
Energy: 0.5391107209916943
Energy: 0.43093004408853836
Energy: 0.4231892667226674
Energy: 0.45878049033628343
Energy: 0.4077012288160748
Energy: 0.38910489618712396
Energy: 0.5147916048700429
Energy: 0.4239842176806459
Energy: 0.43953781994199537
Energy: 0.5064506478904781
Energy: 0.43630053223811566
Energy: 0.4306351165768163
Energy: 0.4638868939243436
Energy: 0.4624048230288328
Energy: 0.48070175481670846
Energy: 0.5106462589536929
Energy: 0.46156481158457735
Energy: 0.4508787186493288
Energy: 0.47648072397809443
Energy: 0.4534854727518189
Energy: 0.460220133577044
Energy: 0.4648055441209132
Energy: 0.43937846935235414
Energy: 0.4488740071049498
Energy: 0.44884743976131825
Energy: 0.44789891996264924
Energy: 0.5037466631966183
Energy: 0.46986112825876736
Energy: 0.43841370333772645
Energy: 0.41663378388897665
Energy: 0.43120133562395446
Energy: 0.46029776169880665
Energy: 0.44908389987980235
Energy: 0.4356538509028318
Energy: 0.48804585334407535
Energy: 0.4337299439103197
Energy: 0.4765627153401178
Energy: 0.4938238853929137
Energy: 0.4979287891379507
Energy: 0.4628016870808871
Energy: 0.48476683493444167
Energy: 0.4994747493799031
Energy: 0.40169792435284457
Energy: 0.39694865188981043
Energy: 0.39968588366537205
Energy: 0.40252601434560326
Energy: 0.48397877848470977
Energy: 0.3978303232103115
Energy: 0.40291664525668025
Energy: 0.4250346849429303
Energy: 0.4129329928045343
Energy: 0.3983505011207062
Energy: 0.4631525356324657
Energy: 0.40436418863552465
Energy: 0.5974227195514336
Energy: 0.4868671255406078
Energy: 0.49384358370400955
Energy: 0.596964088233009
Energy: 0.3880560600610899
Energy: 0.49775117852298423
Energy: 0.4261293033306821
Energy: 0.4251010485515576
Energy: 0.41590110818786963
Energy: 0.4257270675565362
Energy: 0.47200407036270625
Energy: 0.3977414297585205
Energy: 0.4419855677355079
Energy: 0.45466737970906357
Energy: 0.4522501756948
Energy: 0.43830502887845363
Energy: 0.5167737531603342
Energy: 0.4283407491925491
Energy: 0.4839153460798923
Energy: 0.5184430939307016
Energy: 0.5071850475540018
Energy: 0.4973749777461377
Energy: 0.5160735890990661
Energy: 0.5158012172082398
Energy: 0.4372093253715348
Energy: 0.4892711625689463
Energy: 0.4898272078554959
Energy: 0.4378445774991078
Energy: 0.50219315888031
Energy: 0.4594439397393909
Energy: 0.4359631689705785
Energy: 0.46404187385845974
Energy: 0.45329156038707746
Energy: 0.4369812266650206
Energy: 0.4705901924771952
Energy: 0.5234157168741383
Energy: 0.5129437873720825
Energy: 0.4695119069970209
Energy: 0.4748018426757583
Energy: 0.5169412395957168
Energy: 0.4687474513623367
Energy: 0.46539733400935296
Energy: 0.46903964828249045
Energy: 0.5053645463873302
Energy: 0.432052760302308
Energy: 0.46917053173353646
Energy: 0.5076020038284981
Energy: 0.4209738717473753
Energy: 0.49290262515083566
Energy: 0.43876982568335443
Energy: 0.43378920370500007
Energy: 0.4846198749621661
Energy: 0.4300032558290173
Energy: 0.4273094462607751
Energy: 0.479566281446969
Energy: 0.4480571830129359
Energy: 0.4363592914879267
Energy: 0.48607755760125565
Energy: 0.43972289120889124
Energy: 0.42296169087932367
Energy: 0.5586812591084813
Energy: 0.6179357037423576
Energy: 0.6231028263137472
Energy: 0.4071204785493163
Energy: 0.6007999995918001
Energy: 0.5021829931159182
Energy: 0.490941336145635
Energy: 0.45545269286975226
Energy: 0.4501872636242318
Energy: 0.48550214392311275
Energy: 0.44194570719418236
Energy: 0.4532950917143731
Energy: 0.49574916582558304
Energy: 0.4310787246243783
Energy: 0.44759979997749777
Energy: 0.4969598727152819
Energy: 0.43475877230672766
Energy: 0.4185682421041826
Energy: 0.49846168289726595
Energy: 0.4699012353817296
Energy: 0.41411975942519297
Energy: 0.467706964648122
Energy: 0.46922855482282533
Energy: 0.422670639438762
Energy: 0.4749338905833403
Energy: 0.4348744652686501
Energy: 0.45944938016628384
Energy: 0.4352659626538011
Energy: 0.4380585497439809
Energy: 0.468982212856793
Energy: 0.42436995706804287
Energy: 0.4302993808063246
Energy: 0.4560115993366578
Energy: 0.42523385797377933
Energy: 0.4384467929659187
Energy: 0.4885868952558512
Energy: 0.42409794909393245
Energy: 0.4732938222436832
Energy: 0.46768056151758236
Energy: 0.42522756421022223
Energy: 0.4797577957050965
Energy: 0.42521356813314554
Energy: 0.5012820568201685
Energy: 0.4844920885628673
Energy: 0.41430805979068513
Energy: 0.46710492549761545
Energy: 0.5026046827870247
Energy: 0.3933300147458874
Energy: 0.4129558686483596
Energy: 0.4160971971730082
Energy: 0.40389561869170837
Energy: 0.3988332616253358
Energy: 0.4888329041339144
Energy: 0.4127097002449653
Energy: 0.43966433389523824
Energy: 0.4480343240955057
Energy: 0.4563635977284957
Energy: 0.4415013194789377
Energy: 0.4634527236963952
Energy: 0.4068637950691621
Energy: 0.6261826939159938
Energy: 0.5034143462580957
Energy: 0.5021677879854455
Energy: 0.5921246621799994
Energy: 0.40633479769501096
Energy: 0.49742941319077866
Energy: 0.4119095835632497
Energy: 0.41537531751153955
Energy: 0.4391342596622026
Energy: 0.44341676454222145
Energy: 0.44169090550124424
Energy: 0.42557319629042933
Energy: 0.43402292275249227
Energy: 0.4470736191389091
Energy: 0.43687118939442077
Energy: 0.4493147015625791
Energy: 0.4803755238606937
Energy: 0.44615763463553343
Energy: 0.46563917565535634
Energy: 0.5124872180824264
Energy: 0.5132425107742599
Energy: 0.4772591144251729
Energy: 0.46664821047637434
Energy: 0.4106990681025966
Energy: 0.4361900582990635
Energy: 0.4728188779271314
Energy: 0.473903455752045
Energy: 0.43804659768238113
Energy: 0.4862535633341108
Energy: 0.46867062999168496
Energy: 0.43871640297970715
Energy: 0.4894304497756141
Energy: 0.44457812026622606
Energy: 0.437899796975369
Energy: 0.4360938233816689
Energy: 0.4475743220695666
Energy: 0.48688362000111085
Energy: 0.40074971712834023
Energy: 0.3956272867071657
Energy: 0.4662793957857868
Energy: 0.39779747086485323
Energy: 0.452076039107624
Energy: 0.5453323415569414
Energy: 0.45382231691938196
Energy: 0.4096375893784283
Energy: 0.5317890635521796
Energy: 0.47214065800893174
Energy: 0.44609006488751496

minimum gb energy = 0.36719256616171625 eV
minimum distance =  2.42537491398397 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 0.5657779609590782
Energy: 0.5768820949139118
Energy: 0.619181247514426
Energy: 0.42566457940621466
Energy: 0.6812795076969553
Energy: 0.5119314357436776
Energy: 0.4474332891992815
Energy: 0.36920358813561244
Energy: 0.36841124913069806
Energy: 0.45837135363668624
Energy: 0.36902670923687536
Energy: 0.3688102545221548
Energy: 0.4474257020638598
Energy: 0.36898684682356025
Energy: 0.36882358410650284
Energy: 0.44768740048840105
Energy: 0.3688687858395014
Energy: 0.36854321640480375
Energy: 0.45150537648840294
Energy: 0.5549644749962238
Energy: 0.5618859239583186
Energy: 0.4476713696874683
Energy: 0.5429170812412898
Energy: 0.47479558746325884
Energy: 0.45276384824292704
Energy: 0.4082634579145703
Energy: 0.39446043287493954
Energy: 0.45173005932206756
Energy: 0.4082702584790719
Energy: 0.39459953566016526
Energy: 0.40791454390567133
Energy: 0.4100103970952234
Energy: 0.38965708862739806
Energy: 0.408541789740625
Energy: 0.3922694498941528
Energy: 0.4370327787144533
Energy: 0.40973723091786074
Energy: 0.40715634304496107
Energy: 0.40713615008369575
Energy: 0.40971313153311223
Energy: 0.4786026169636315
Energy: 0.4072910298567649
Energy: 0.46480414480358
Energy: 0.4922885927138165
Energy: 0.5048669043310698
Energy: 0.42943983986989204
Energy: 0.46207243119822583
Energy: 0.4585073547865275
Energy: 0.37058656455321637
Energy: 0.4429290840490642
Energy: 0.4681919330517136
Energy: 0.37075894844311197
Energy: 0.4700537597493124
Energy: 0.41305422544355086
Energy: 0.3704465359913383
Energy: 0.3725067168272117
Energy: 0.36789739687029915
Energy: 0.37027196039250837
Energy: 0.4354097862165417
Energy: 0.3685127826890996
Energy: 0.6124710353294529
Energy: 0.5653760693618614
Energy: 0.567209252871473
Energy: 0.599493478164435
Energy: 0.5208398632426945
Energy: 0.5661204676944293
Energy: 0.38101407045055136
Energy: 0.4130658298968611
Energy: 0.3956228895780787
Energy: 0.3810399720593605
Energy: 0.5052296493596505
Energy: 0.4005440258310477
Energy: 0.4100168702493675
Energy: 0.4636521667760377
Energy: 0.4569337789996392
Energy: 0.410912436687868
Energy: 0.4472888977755273
Energy: 0.4138835954942812
Energy: 0.4469631052477906
Energy: 0.44209830560000146
Energy: 0.46487580532175987
Energy: 0.44708211197741843
Energy: 0.44013674017071736
Energy: 0.4462652799555181
Energy: 0.42144087468055225
Energy: 0.4435044023538244
Energy: 0.4281191877367478
Energy: 0.4223348014559762
Energy: 0.44823720381205423
Energy: 0.4113629343936829
Energy: 0.4236997448798192
Energy: 0.3876886471282618
Energy: 0.386801479051398
Energy: 0.4245039957866111
Energy: 0.38567146403057956
Energy: 0.3908480865395871
Energy: 0.4500416214288016
Energy: 0.3824626111018691
Energy: 0.382069926839854
Energy: 0.45083399220608644
Energy: 0.3828458754260464
Energy: 0.382373996255344
Energy: 0.4765317354750373
Energy: 0.3804504457573187
Energy: 0.38415698198474046
Energy: 0.4768627384428823
Energy: 0.3893852532418586
Energy: 0.42698959800482145

minimum gb energy = 0.36789739687029915 eV
minimum distance =  2.40808520669205 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.45944916516958006
Energy: 0.3888829252659211
Energy: 0.49266424153599375
Energy: 0.4609076579122857
Energy: 0.7268143253481056
Energy: 0.4905683151127904
Energy: 0.4067898227257674
Energy: 0.3352686246305733
Energy: 0.38584936043534374
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Energy: 0.3855357451879729
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Energy: 0.3642032855633457
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Energy: 0.36460848573328997
Energy: 0.39554767313009187
Energy: 0.40747120667159775
Energy: 0.40679911760879245
Energy: 0.39629355320899534
Energy: 0.387949259873697
Energy: 0.4069437337419318
Energy: 0.41133377897697937
Energy: 0.33520994369468154
Energy: 0.3341615540016939
Energy: 0.4118975363932908
Energy: 0.35656776041554644
Energy: 0.41865088287313135
Energy: 0.38260115218689045
Energy: 0.3810604479932962
Energy: 0.44744151887532985
Energy: 0.3827573066057352
Energy: 0.3811304899400907
Energy: 0.3622481695860495
Energy: 0.35858633194171385
Energy: 0.3824654526933318
Energy: 0.3597346240995185
Energy: 0.359609973871176
Energy: 0.40131944309651024
Energy: 0.35966987386217525
Energy: 0.35688265346477444
Energy: 0.37659382861652346
Energy: 0.3724130289365954
Energy: 0.404030309137944
Energy: 0.3767714465964838
Energy: 0.37169443887337533
Energy: 0.3594053042079378
Energy: 0.3765133493587418
Energy: 0.3948294501684627
Energy: 0.35957402555306134
Energy: 0.3786006008385407
Energy: 0.43912844177624083
Energy: 0.336421825545226
Energy: 0.3352703644151293
Energy: 0.3346893858070973
Energy: 0.33696803076769727
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Energy: 0.3341155715379543
Energy: 0.5815659868125493
Energy: 0.4345365547622307
Energy: 0.43423809657733
Energy: 0.5765103669682434
Energy: 0.42040935966584414
Energy: 0.6323539014978877
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Energy: 0.44474386912497604
Energy: 0.4184707166650999
Energy: 0.3572619521953048
Energy: 0.3865998083527398
Energy: 0.41819180556045604
Energy: 0.3791910066861501
Energy: 0.44215914766138603
Energy: 0.4422923306839039
Energy: 0.38056014433969565
Energy: 0.3866752793349781
Energy: 0.44401068157852547
Energy: 0.388477817532463
Energy: 0.3594189168826894
Energy: 0.35894467955702136
Energy: 0.3869259980248856
Energy: 0.3589927419424011
Energy: 0.35951703772873433
Energy: 0.37657985370271335
Energy: 0.4175990676111673
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Energy: 0.3796777472438237
Energy: 0.3660145744096415
Energy: 0.37104851147774015
Energy: 0.3765984225161479
Energy: 0.36548714519538106
Energy: 0.37243921269354024
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Energy: 0.33167994033569304
Energy: 0.3314751232960946
Energy: 0.41216290436251174
Energy: 0.33621933525830716
Energy: 0.33161237651234665
Energy: 0.3795772657492523
Energy: 0.364542949695665
Energy: 0.3645708049088151
Energy: 0.38026420951415574
Energy: 0.3650130932350385
Energy: 0.3649201142219865
Energy: 0.35254636236526316
Energy: 0.4463564189642803
Energy: 0.446663242069942
Energy: 0.3534594602930741
Energy: 0.41814625316098547
Energy: 0.38418627693428814
Energy: 0.3997394792916716
Energy: 0.35581319158303865
Energy: 0.36565306552902427
Energy: 0.39326537336493433
Energy: 0.3578524026391789
Energy: 0.3683218445818665
Energy: 0.36628056548765825
Energy: 0.38452576849841685
Energy: 0.36171736546278516
Energy: 0.4048632889922953
Energy: 0.384808649422924
Energy: 0.42316674267179816
Energy: 0.3571925753002062
Energy: 0.4286000313624806
Energy: 0.4489400085226175
Energy: 0.3574404222819411
Energy: 0.3691147882799191
Energy: 0.4485450249770528
Energy: 0.35717780472120275
Energy: 0.48770146589536867
Energy: 0.4902236428861463
Energy: 0.35803012223765496
Energy: 0.4874335319915371
Energy: 0.4918517384848572
Energy: 0.33671818586805563
Energy: 0.3692859242918972
Energy: 0.4048810055277235
Energy: 0.3369910890620948
Energy: 0.37924608796560905
Energy: 0.4063203446139253
Energy: 0.33604080650162926
Energy: 0.36481988467608867
Energy: 0.3639522189479764
Energy: 0.3642185729413629
Energy: 0.38592462644192593
Energy: 0.3644259586811307
Energy: 0.5852771575343885
Energy: 0.4109056812956455
Energy: 0.4118234453108298
Energy: 0.5858029454642656
Energy: 0.3965197538745482
Energy: 0.625839180303916
Energy: 0.35538134818414324
Energy: 0.4470548826122405
Energy: 0.4189231644103283
Energy: 0.3563270242878833
Energy: 0.41272433643293693
Energy: 0.3349312294854871
Energy: 0.3813673548450185
Energy: 0.38254510937147473
Energy: 0.3759158590803514
Energy: 0.3828111066948674
Energy: 0.38306271063804503
Energy: 0.38226490109279354
Energy: 0.4342334976496643
Energy: 0.3586972028333819
Energy: 0.3590265020325853
Energy: 0.4349221763466721
Energy: 0.3600889839403845
Energy: 0.3598858146642224
Energy: 0.3791900983177762
Energy: 0.3764445901671923
Energy: 0.39764955199971813
Energy: 0.37670957327980503
Energy: 0.38957598444641517
Energy: 0.3716035860120852

minimum gb energy = 0.3314751232960946 eV
minimum distance =  2.41632091001963 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.34808569533873424
Energy: 0.2832616565759487
Energy: 0.3487441684053791
Energy: 0.3493915408844254
Energy: 0.6371689854804208
Energy: 0.7149236606804288
Energy: 0.32488751362918156
Energy: 0.24130306341890131
Energy: 0.2390937723488434
Energy: 0.33139880093084967
Energy: 0.24092451793573752
Energy: 0.2392187866213446
Energy: 0.4244203432437673
Energy: 0.29118761233020807
Energy: 0.23883485451931313
Energy: 0.42525961507852383
Energy: 0.31418490205374894
Energy: 0.24566153460643306
Energy: 0.37688209948030754
Energy: 0.3026336194986072
Energy: 0.32477037714423096
Energy: 0.3779245837553952
Energy: 0.31663602963531434
Energy: 0.3232193752936225
Energy: 0.3326553498244859
Energy: 0.3032943146960505
Energy: 0.2580167609385875
Energy: 0.3329182309817209
Energy: 0.3048466331827713
Energy: 0.2814748059840822
Energy: 0.29013621112016763
Energy: 0.30748405720422245
Energy: 0.34680172639827966
Energy: 0.30054081657853177
Energy: 0.31007130582358905
Energy: 0.3185571118309754
Energy: 0.2394808961101931
Energy: 0.22254042791218662
Energy: 0.23913476034918665
Energy: 0.2401675183051913
Energy: 0.3744210113032459
Energy: 0.23924192486096177
Energy: 0.2500019335439799
Energy: 0.5377338716040674
Energy: 0.5536789823276097
Energy: 0.2506666478803738
Energy: 0.5284421637498241
Energy: 0.5102913242226838
Energy: 0.277371192114104
Energy: 0.36260996362708203
Energy: 0.32457155976239804
Energy: 0.2763619513504382
Energy: 0.3076649093613816
Energy: 0.27922351357693503
Energy: 0.3087708947636234
Energy: 0.3077412794401479
Energy: 0.329696888588099
Energy: 0.3094989949557331
Energy: 0.31075647484036373
Energy: 0.3107584240562243
Energy: 0.30660334105318926
Energy: 0.32796407651447373
Energy: 0.28608969146434504
Energy: 0.30750656687013966
Energy: 0.3659753734045908
Energy: 0.28662685280366335
Energy: 0.3379990190206505
Energy: 0.2581467601992314
Energy: 0.2389251564393504
Energy: 0.3268804069143914
Energy: 0.25744180796077537
Energy: 0.2461033424918642

minimum gb energy = 0.22254042791218662 eV
minimum distance =  2.56193484328276 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.17710764582279995
Energy: 0.24453272106795626
Energy: 0.6744238169947682
Energy: 0.6975375564632815
Energy: 0.520158143836293
Energy: 0.6800195704173778
Energy: 0.2380281247426937
Energy: 0.16513331715262206
Energy: 0.16752174356619753
Energy: 0.23566877340842848
Energy: 0.1636164596859354
Energy: 0.1983329465775147
Energy: 0.29533666630760413
Energy: 0.2739266318079639
Energy: 0.27124532973126997
Energy: 0.2962717303289481
Energy: 0.27280571963158834
Energy: 0.27134098232144505
Energy: 0.3186968676384608
Energy: 0.36174272330816154
Energy: 0.27058160601971676
Energy: 0.334057479824564
Energy: 0.31515009107409725
Energy: 0.2485962796983291
Energy: 0.22626317218591663
Energy: 0.2123570819356347
Energy: 0.24967637706502846
Energy: 0.22678627731453146
Energy: 0.2608095004256988
Energy: 0.2823838717027138
Energy: 0.17093960163353425
Energy: 0.48930157560858245
Energy: 0.26333116974233617
Energy: 0.1712827554794217
Energy: 0.4726494720031011
Energy: 0.17095894623443883
Energy: 0.22793184060491486
Energy: 0.22995695982695816
Energy: 0.25745817071051375
Energy: 0.25821933676801223
Energy: 0.3170896587496193
Energy: 0.25684085948430113
Energy: 0.2469954941216615
Energy: 0.36762342162819417
Energy: 0.30048390381158174
Energy: 0.3736644293451648
Energy: 0.34928966002407946
Energy: 0.2449223465627709
Energy: 0.2528073634489666
Energy: 0.32085617527244914
Energy: 0.31020446862165446
Energy: 0.25312193929002613
Energy: 0.31594944037462863
Energy: 0.3104231385726885
Energy: 0.42614838509834835
Energy: 0.4520304618688222
Energy: 0.3010107239764253
Energy: 0.4044060780823134
Energy: 0.44889390202605833
Energy: 0.35006467962842147
Energy: 0.36954511226037023
Energy: 0.2462291491829059
Energy: 0.24428547635383735
Energy: 0.3708329044097306
Energy: 0.24574378947071612
Energy: 0.24403087372931367
Energy: 0.25113916977980466
Energy: 0.19508325807505042
Energy: 0.19058037060316663
Energy: 0.25169268049560917
Energy: 0.19273073565799279
Energy: 0.21599904636518483
Energy: 0.3082312590330244
Energy: 0.6826822433347756
Energy: 0.4606504145355144
Energy: 0.5667002958536796
Energy: 0.6797385810456174
Energy: 0.2905914993280182
Energy: 0.28698778435169153
Energy: 0.24075480165112065
Energy: 0.26396598424623724
Energy: 0.2856239174953573
Energy: 0.23259384796858637
Energy: 0.28818225490899857
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Energy: 0.32713691679767887
Energy: 0.2588811789309827
Energy: 0.27071605112524466
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Energy: 0.2523827126869926
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Energy: 0.202097567013486
Energy: 0.38809389494626156
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Energy: 0.2017009776355034
Energy: 0.5242089004115644
Energy: 0.3464882384736412
Energy: 0.23735072726606288
Energy: 0.2631974717387879
Energy: 0.29749456653827655
Energy: 0.23759191341393918
Energy: 0.22224126751028353
Energy: 0.19099961360833642
Energy: 0.22465668169238637
Energy: 0.23667469962856563
Energy: 0.2390093769124484
Energy: 0.22552754668074662
Energy: 0.22625781820834434
Energy: 0.2231804525531139
Energy: 0.22235476016159522
Energy: 0.1895554701000773
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Energy: 0.22253852766798163
Energy: 0.18874625933386094
Energy: 0.20440917860481791
Energy: 0.6931066913883456
Energy: 0.19631263435843224
Energy: 0.16925490703989374
Energy: 0.6942743816739609
Energy: 0.20485885261770498
Energy: 0.22842773390697982
Energy: 0.25858258598521083
Energy: 0.1634887859132865
Energy: 0.16361701136137635
Energy: 0.25965865851086584
Energy: 0.16361987786770482
Energy: 0.295849932049475
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Energy: 0.19137049365134828
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Energy: 0.27475699259203734
Energy: 0.27705351707036097
Energy: 0.3513012889242559
Energy: 0.27414191206243854
Energy: 0.2625698377908777
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Energy: 0.2507453193355505
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Energy: 0.500001765943771
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Energy: 0.25309421451006514
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Energy: 0.29620788698605016
Energy: 0.3749981348256713
Energy: 0.37219345028117196
Energy: 0.2986045114276021
Energy: 0.3742515167990585
Energy: 0.48111753133501894
Energy: 0.2864914662710088
Energy: 0.23213391791671753
Energy: 0.2159668498168864
Energy: 0.27865684419532577
Energy: 0.23281733189388296
Energy: 0.19102392200753898
Energy: 0.5665099071909803
Energy: 0.30791499466752215
Energy: 0.16867549297181814
Energy: 0.5673721068411712
Energy: 0.3048274001971464
Energy: 0.3023911266761745
Energy: 0.31533448037114364
Energy: 0.2262104751666476
Energy: 0.25869400220642996
Energy: 0.3161002401704836
Energy: 0.22898553576703579
Energy: 0.27910266499530323
Energy: 0.3147514891791077
Energy: 0.23405278277528
Energy: 0.26319914458917376
Energy: 0.31384921855894266
Energy: 0.22094070381877484
Energy: 0.2731414656332385
Energy: 0.27287914749635167
Energy: 0.29839712054332357
Energy: 0.2519749558132206
Energy: 0.2711887408334793
Energy: 0.29716140365126736
Energy: 0.2708720540105635
Energy: 0.23603253941801508
Energy: 0.26045678762940233
Energy: 0.24259131750480534
Energy: 0.235535460525079
Energy: 0.24820024896667672
Energy: 0.16885187376246646
Energy: 0.3765732242204458
Energy: 0.5836764449407031
Energy: 0.6066473107832854
Energy: 0.45500809891335936
Energy: 0.5856859917839683
Energy: 0.5763391842668147
Energy: 0.23843206301553815
Energy: 0.2601022640578129
Energy: 0.2244284061276667
Energy: 0.23872455455468197
Energy: 0.24829500308386826
Energy: 0.22256358661518952
Energy: 0.23481330513437537
Energy: 0.2264927971401704
Energy: 0.21498271414421186
Energy: 0.23559084237542144
Energy: 0.2245421599327531
Energy: 0.23573630028441747
Energy: 0.22570498771076158
Energy: 0.18987790003998373
Energy: 0.20273775754252446
Energy: 0.2224772634563004
Energy: 0.23741219567568211
Energy: 0.24700698491779907
Energy: 0.25895222976027643
Energy: 0.18522722180319975
Energy: 0.1908309427691958
Energy: 0.260087893593431
Energy: 0.18786814128214455
Energy: 0.29514442740843444

minimum gb energy = 0.1634887859132865 eV
minimum distance =  2.55094949876167 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: -0.0030750743289816676
Energy: 0.003652920613164561
Energy: 0.0016045676436904502
Energy: -0.001939850856484562
Energy: 0.421305183464176
Energy: -0.0031620523561496252
Energy: -0.0029195689576847744
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Energy: 0.04200206645194669
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Energy: 0.2931842607372441
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Energy: 0.016426266723755256
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Energy: 0.29260932884806506
Energy: 0.0402889528897617
Energy: 0.016353113962952456
Energy: 0.29356285900949564
Energy: 0.04142010770900953
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Energy: 0.0413847362553767
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Energy: 0.016328645685902723
Energy: 0.01642250347519926
Energy: -0.00297888201500754
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Energy: -0.002995120001053435
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Energy: 0.023237191490890638
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Energy: 0.5142051829882733
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Energy: 0.5024214889702239
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Energy: 0.022595830729255483
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Energy: 0.02219859235032499
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Energy: 0.5032955762348019
Energy: 0.5134607187309959
Energy: 0.5130306743521308
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Energy: 0.512570398675209
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Energy: -0.0032510513501754303
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Energy: -0.002923108852993382
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Energy: 0.01706442461121433
Energy: 0.016461522105664376
Energy: 0.016352279791533152
Energy: 0.01662356268564142
Energy: 0.040024676910038665
Energy: 0.016424998258833295
Energy: 0.04009739015524026
Energy: 0.04017932603583224
Energy: 0.04033850630777696
Energy: 0.039992228922808654
Energy: 0.04019201336013038
Energy: 0.04023319587774157
Energy: -0.003048282083515218
Energy: 0.04284839246537975
Energy: 0.04254687926716881
Energy: -0.0029673363889921576
Energy: 0.041281135613136094
Energy: 0.016473165787859272

minimum gb energy = -0.0032510513501754303 eV
minimum distance =  2.60537943861469 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.6445594908114869
Energy: 0.823369455796205
Energy: 0.7088672331276399
Energy: 0.6459811548502867
Energy: 0.9354099600811293
Energy: 0.6908652179420061
Energy: 0.26991074272585064
Energy: 0.1745619502904425
Energy: 0.1696271112622282
Energy: 0.18511961886795286
Energy: 0.17220668780020543
Energy: 0.2378678767537573
Energy: 0.11628759407810282
Energy: 0.14529063230327635
Energy: 0.08899351394622686
Energy: 0.11691671474909479
Energy: 0.14320999697128084
Energy: 0.15225214837902248
Energy: 0.10656165835826996
Energy: 0.16139121887153324
Energy: 0.15354746106182457
Energy: 0.10702840854824593
Energy: 0.10096919502498641
Energy: 0.1526672027789703
Energy: 0.1693770130540018
Energy: 0.22855166108633454
Energy: 0.2201519167256953
Energy: 0.17004368402279743
Energy: 0.42441758975119553
Energy: 0.15778041295106934
Energy: 0.27222152680324607
Energy: 0.6000782707413235
Energy: 0.5852076637074997
Energy: 0.2722030126553213
Energy: 0.23876075757241252
Energy: 0.6847560910237026
Energy: 0.19520346808461647
Energy: 0.15944952780208937
Energy: 0.21335040713440434
Energy: 0.19494710742618807
Energy: 0.18615963658628693
Energy: 0.2138084954400983
Energy: 0.1628137116132531
Energy: 0.1857894975746693
Energy: 0.187406774465364
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Energy: 0.18486198596031542
Energy: 0.2614932019403203
Energy: 0.27942114811219765
Energy: 0.218738832391592
Energy: 0.22096948477607561
Energy: 0.28009280888559157
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Energy: 0.16228123054658308
Energy: 0.337995557120838
Energy: 0.3479305060059262
Energy: 0.2277314501173573
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Energy: 0.25194222860609067
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Energy: 0.4159593926991621
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Energy: 0.2758197868532885
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Energy: 0.20389570750634564
Energy: 0.2766331852554551
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Energy: 0.22740664117192066
Energy: 0.2096175774806149
Energy: 0.19157092954469804
Energy: 0.21417014226120745
Energy: 0.2105044411931871
Energy: 0.2950571364956455
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Energy: 0.44395596996591097
Energy: 0.24835582357776623
Energy: 0.4561675249778796
Energy: 0.44488951780491803
Energy: 0.23537712339240172
Energy: 0.43935191445702104
Energy: 0.28294723953707146
Energy: 0.20976848268340514
Energy: 0.31445946966961774
Energy: 0.28387795970384927
Energy: 0.2940042476559833
Energy: 0.313987156067879
Energy: 0.3146842297675809
Energy: 0.5401637223465012
Energy: 0.5055754573090514
Energy: 0.3158956919116004
Energy: 0.5473338407502946
Energy: 0.4753824232189435
Energy: 0.2787396197892752
Energy: 0.20840646891958647
Energy: 0.20665691993810684
Energy: 0.2797694514215687
Energy: 0.21387626441890067
Energy: 0.2146838896607419
Energy: 0.28124331156185695
Energy: 0.20461240828096058
Energy: 0.2112393776756624
Energy: 0.2819286285180958
Energy: 0.20196937558475672
Energy: 0.21165127845832907
Energy: 0.3002661715251028
Energy: 0.42542496049544487
Energy: 0.38972714507080675
Energy: 0.3014637924211885
Energy: 0.42504053141876685
Energy: 0.3879361711628364
Energy: 0.2825956658539958
Energy: 0.20503151564619074
Energy: 0.2688157855946613
Energy: 0.28358676939712874
Energy: 0.30403697182875494
Energy: 0.27629689325892137
Energy: 0.6355815359554579
Energy: 0.4099330335718614
Energy: 0.5654615526372274
Energy: 0.6357426624663919
Energy: 0.23879037817283424
Energy: 0.5816811431546147
Energy: 0.22065517024552175
Energy: 0.24320942847990762
Energy: 0.2167355949056876
Energy: 0.22155437723249893
Energy: 0.2922714313909455
Energy: 0.2191196959694187
Energy: 0.183808646767417
Energy: 0.2099625829433554
Energy: 0.17604357285151717
Energy: 0.1844398754522508
Energy: 0.17690262025061018
Energy: 0.19293676509456778
Energy: 0.18920603586942444
Energy: 0.17193096573175576
Energy: 0.1559725037312301
Energy: 0.1897061757151454
Energy: 0.15879299327752866
Energy: 0.21957874182236067
Energy: 0.5832427014722041
Energy: 0.2247459351525626
Energy: 0.19919048756716334
Energy: 0.6363115799407199
Energy: 0.22469756065717814
Energy: 0.22418431193690436

minimum gb energy = 0.08899351394622686 eV
minimum distance =  2.42024269207688 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.6234406805129471
Energy: 0.8100123011898512
Energy: 0.8090890638900802
Energy: 0.6251266538994646
Energy: 0.6501978025328459
Energy: 0.34286075612856015
Energy: 0.3147412570195187
Energy: 0.1955219832149111
Energy: 0.19573202434371909
Energy: 0.21742233152008636
Energy: 0.20134474083306053
Energy: 0.22717197430429978
Energy: 0.1757754137725107
Energy: 0.17374602790582855
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Energy: 0.17632705363293677
Energy: 0.18059877832268104
Energy: 0.19533269787332094
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Energy: 0.19481405145839187
Energy: 0.19064843236214174
Energy: 0.13024353040713524
Energy: 0.11666102936847281
Energy: 0.19676039835281875
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Energy: 0.22478105570065302
Energy: 0.2686438995095918
Energy: 0.195911004820775
Energy: 0.3312462799524317
Energy: 0.19514734478120566
Energy: 0.3329633309027771
Energy: 0.3184342063792306
Energy: 0.31753457335122987
Energy: 0.3334797714501747
Energy: 0.2562634447480213
Energy: 0.4927285228399201
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Energy: 0.22282944009513325
Energy: 0.2552264719418297
Energy: 0.24129693866852406
Energy: 0.21726292836519812
Energy: 0.20119955481122842
Energy: 0.19770344810732418
Energy: 0.28292966614920934
Energy: 0.28196484889093504
Energy: 0.19794035975064736
Energy: 0.2387831756209215
Energy: 0.2546630733179519
Energy: 0.33375904290922365
Energy: 0.18909252034326182
Energy: 0.18076682074884384
Energy: 0.33355108600711875
Energy: 0.25156605082517386
Energy: 0.18054183423389816
Energy: 0.4124098383205421
Energy: 0.4978979082892973
Energy: 0.49815642216114264
Energy: 0.412132358713814
Energy: 0.3036352085066745
Energy: 0.49767496863270705
Energy: 0.2208661590021914
Energy: 0.29102138479895795
Energy: 0.2491803897671367
Energy: 0.22114774980885554
Energy: 0.3333565385555257
Energy: 0.20769678605596606
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Energy: 0.2803715561303053
Energy: 0.20074945212168985
Energy: 0.32892326708249203
Energy: 0.25478493772824984
Energy: 0.24879149088810187
Energy: 0.3155916060133899
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Energy: 0.6287630000539816
Energy: 0.6268299460986049
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Energy: 0.11801066984059944
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Energy: 0.21788377314779317
Energy: 0.19581199902090152
Energy: 0.35551595695998933
Energy: 0.5801288671299073
Energy: 0.5063222659640199
Energy: 0.2580531309427958
Energy: 0.35166091112392156
Energy: 0.44558200570944734
Energy: 0.24112488629787684
Energy: 0.22854342577611444
Energy: 0.26407736299037443
Energy: 0.241587255782325
Energy: 0.21742701157315272
Energy: 0.19550828951279733
Energy: 0.19690031463536525
Energy: 0.30167974352079663
Energy: 0.28624132735550967
Energy: 0.19793926260694614
Energy: 0.30946516865713813
Energy: 0.2687273244481317
Energy: 0.24846744055222036
Energy: 0.18652724473838897
Energy: 0.17986878420675761
Energy: 0.24158780559879023
Energy: 0.18535375595658338
Energy: 0.18065922934062273
Energy: 0.2203283226865885
Energy: 0.24893176481691331
Energy: 0.24961109702938264
Energy: 0.22055302000688268
Energy: 0.24879964279362357
Energy: 0.25083197058145723
Energy: 0.41284590320354747
Energy: 0.40171023259141037
Energy: 0.38112465477171403
Energy: 0.41339262493332646
Energy: 0.41449876408426917
Energy: 0.3702435445551795
Energy: 0.33234060349927824
Energy: 0.28070656715921477
Energy: 0.25138335033139747
Energy: 0.33302534078155693
Energy: 0.2628361628962444
Energy: 0.2526547492274498
Energy: 0.4335745447499016
Energy: 0.25413341250238575
Energy: 0.28996469855507856
Energy: 0.4341350174293019
Energy: 0.291123161557462
Energy: 0.28971497690602005
Energy: 0.2500843081220892
Energy: 0.243796118681063
Energy: 0.25274569882410275
Energy: 0.25098215065497964
Energy: 0.3334558602808535
Energy: 0.250906600687622
Energy: 0.23896493496732224
Energy: 0.3515888772129994
Energy: 0.23930574170219068
Energy: 0.23893978545953484
Energy: 0.22832692302998317
Energy: 0.2391970837798206
Energy: 0.22411736192151244
Energy: 0.2008646479939938
Energy: 0.19985096927823268
Energy: 0.22413191248959638
Energy: 0.2280092649014105
Energy: 0.26414001536657117
Energy: 0.4407310062882748
Energy: 0.2278919458613139
Energy: 0.2611369643925582
Energy: 0.4408994473759108
Energy: 0.29178182416868575
Energy: 0.23708917934547816

minimum gb energy = 0.11666102936847281 eV
minimum distance =  2.43582528496839 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.3003867535357206
Energy: 0.2926605878603037
Energy: 0.2945241902872125
Energy: 0.3003503608112314
Energy: 0.6553866114393843
Energy: 0.29626590387340296
Energy: 0.366536589310585
Energy: 0.2322410054012964
Energy: 0.23271831183513672
Energy: 0.26220664968157636
Energy: 0.23128545859429198
Energy: 0.23410440686671263
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Energy: 0.22105829466974775
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Energy: 0.19404104916527762
Energy: 0.2551162751271943
Energy: 0.21928507245038628
Energy: 0.1944259800784555
Energy: 0.1927697553550896
Energy: 0.2502235549079605
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Energy: 0.19108266293566062
Energy: 0.2358006634582245
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Energy: 0.27094903464995707
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Energy: 0.2720064854524218
Energy: 0.29078490204559176
Energy: 0.28561133724765586
Energy: 0.5401035036325096
Energy: 0.29040335664552025
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Energy: 0.23972254722356712
Energy: 0.2966878185467824
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Energy: 0.1716622345806615
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Energy: 0.330096786367406
Energy: 0.18556849184952454
Energy: 0.3014178059289011
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Energy: 0.18498828038209753
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Energy: 0.27189782057178713
Energy: 0.20499758462733172
Energy: 0.2979603899502243
Energy: 0.34331691481814325
Energy: 0.2497788739148676
Energy: 0.1853571970297389
Energy: 0.34373080333068673
Energy: 0.2328918509644045
Energy: 0.18573257795466885
Energy: 0.22938210221916053
Energy: 0.2976192467745936
Energy: 0.22141052043002543
Energy: 0.2297958098390837
Energy: 0.3640684459180285
Energy: 0.22087027520910074
Energy: 0.37345740882373485
Energy: 0.28457656725243025
Energy: 0.4106507205867152
Energy: 0.3740443343871644
Energy: 0.3110583084194541
Energy: 0.34908461485594267
Energy: 0.27016457931910465
Energy: 0.2346708760109483
Energy: 0.23116349354233626
Energy: 0.2717582511713871
Energy: 0.18209060483992706
Energy: 0.25242631136506694
Energy: 0.36454186683239775
Energy: 0.5806917523977136
Energy: 0.3795798029620003
Energy: 0.3461209017002636
Energy: 0.5361240130884843
Energy: 0.47476108579632736

minimum gb energy = 0.1681035552945316 eV
minimum distance =  2.57411198700294 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.3824135973933978
Energy: 0.31415133694908903
Energy: 0.2745730173915178
Energy: 0.38348622006490346
Energy: 0.425944062418805
Energy: 0.27445030781658397
Energy: 0.3427878716335815
Energy: 0.3266898555811569
Energy: 0.24456807975863046
Energy: 0.3273630258392393
Energy: 0.3423336270453452
Energy: 0.25967338287443287
Energy: 0.35236918331015615
Energy: 0.2586123254131094
Energy: 0.2744014919816632
Energy: 0.352813215649604
Energy: 0.25856884713461853
Energy: 0.276971824912633
Energy: 0.26356467930797195
Energy: 0.27565393400566746
Energy: 0.27383463766016775
Energy: 0.2633777990176537
Energy: 0.26454099945445647
Energy: 0.2609656918387255
Energy: 0.24607033960869074
Energy: 0.2441297674931665
Energy: 0.24570761915006956
Energy: 0.24626041058983944
Energy: 0.23350173146121309
Energy: 0.24565779472317106
Energy: 0.2759922158833569
Energy: 0.2734058152231268
Energy: 0.23261210752445988
Energy: 0.2763559595691266
Energy: 0.3255619240135759
Energy: 0.23382989680943367
Energy: 0.3435631723596007
Energy: 0.327787984569677
Energy: 0.24467512751954834
Energy: 0.34443289485184625
Energy: 0.34272255448988176
Energy: 0.24537137814852875

minimum gb energy = 0.23261210752445988 eV
minimum distance =  2.67256820976611 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.5508879992125146
Energy: 0.6512528765349372
Energy: 0.4892848928439822
Energy: 0.5515964767128569
Energy: 0.7455813845450854
Energy: 0.4863566211378318
Energy: 0.37724307412291785
Energy: 0.3973942695072322
Energy: 0.41213459735908897
Energy: 0.35924100005028337
Energy: 0.4230123841704384
Energy: 0.41600237830116277
Energy: 0.41122501229051667
Energy: 0.43492896974859246
Energy: 0.34467177109064695
Energy: 0.4119589161257292
Energy: 0.442053583821845
Energy: 0.4072783223881626
Energy: 0.32721631644442073
Energy: 0.36834538013469204
Energy: 0.33511541562965697
Energy: 0.32757139135963004
Energy: 0.4217130824887992
Energy: 0.330828301698019
Energy: 0.3499743352912053
Energy: 0.3565085173112079
Energy: 0.387231360555306
Energy: 0.35085450362373816
Energy: 0.403751129458156
Energy: 0.32371474581689885
Energy: 0.4140090253181688
Energy: 0.4436939204499106
Energy: 0.3674942791554983
Energy: 0.4150573783828761
Energy: 0.41532331577336934
Energy: 0.47276487154784713
Energy: 0.3763501123716942
Energy: 0.39560763175291286
Energy: 0.38377582736603777
Energy: 0.37730644784986195
Energy: 0.3865487906992119
Energy: 0.39645667574323934
Energy: 0.5200761706364829
Energy: 0.5828570788432161
Energy: 0.4574956346826806
Energy: 0.5207132089166432
Energy: 0.5795637125717492
Energy: 0.45682610563155984
Energy: 0.4646336056104801
Energy: 0.3976460108383703
Energy: 0.3830137405605344
Energy: 0.45396064740633063
Energy: 0.44533089220445804
Energy: 0.37990559354553266
Energy: 0.41224779785045074
Energy: 0.34970023630425257
Energy: 0.3629014375754234
Energy: 0.40771015201227995
Energy: 0.49094533237274685
Energy: 0.39511245525022803
Energy: 0.3509048075061911
Energy: 0.41075003926315384
Energy: 0.3915224283735557
Energy: 0.35167997510408255
Energy: 0.4254976497753333
Energy: 0.3511031447860105
Energy: 0.40197357453490146
Energy: 0.4403754618329251
Energy: 0.4215852207565527
Energy: 0.4029703386439027
Energy: 0.42155581076115195
Energy: 0.36426036879792456
Energy: 0.43985849086704676
Energy: 0.3997309292394703
Energy: 0.32257899867934037
Energy: 0.4407091999359235
Energy: 0.3525653951550719
Energy: 0.36656253862531385
Energy: 0.4244671006684561
Energy: 0.3308881597034493
Energy: 0.33410717437216747
Energy: 0.38231946406130507
Energy: 0.3271114152439934
Energy: 0.3375739889901413
Energy: 0.4616403679023606
Energy: 0.41316756121146997
Energy: 0.4146676926486401
Energy: 0.4404674410628263
Energy: 0.41060044230716986
Energy: 0.40033812543684283
Energy: 0.43480472651227403
Energy: 0.3337064972714578
Energy: 0.33121343026625705
Energy: 0.4359015778481569
Energy: 0.3821832250478267
Energy: 0.4262072740008184
Energy: 0.3880585721908683
Energy: 0.4005345588004443
Energy: 0.42657618385868307
Energy: 0.3882994279464364
Energy: 0.564586771572682
Energy: 0.4327751740640312
Energy: 0.3650764187461819
Energy: 0.4094195433489679
Energy: 0.39182427527877267
Energy: 0.36582235235312605
Energy: 0.41058167533011874
Energy: 0.38255065022064866
Energy: 0.47801881116527206
Energy: 0.42905009447934983
Energy: 0.4051810429916712
Energy: 0.47871577863601783
Energy: 0.42727877329605407
Energy: 0.34957756953263613
Energy: 0.4232318350616811
Energy: 0.34478317260816455
Energy: 0.34443180353559644
Energy: 0.48014162406380945
Energy: 0.34846863953795465
Energy: 0.34958340949988187
Energy: 0.36914457381114507
Energy: 0.3093734203834977
Energy: 0.37426387953169743
Energy: 0.3694244356561984
Energy: 0.3077174373658866
Energy: 0.38317456771255365
Energy: 0.36737910767388426
Energy: 0.43335091925264707
Energy: 0.4397331515660285
Energy: 0.3676799772099561
Energy: 0.4307304834097492
Energy: 0.451992650643958
Energy: 0.33809266923912873
Energy: 0.415670203503859
Energy: 0.3579040180858927
Energy: 0.3387708378640987
Energy: 0.33786654305602554
Energy: 0.3330925012380577
Energy: 0.3483066199138837
Energy: 0.42664230680220766
Energy: 0.3429195837816027
Energy: 0.35109531190558235
Energy: 0.5203277625226873
Energy: 0.3419215910738043
Energy: 0.43031515740438436
Energy: 0.4588819381165526
Energy: 0.3797384696549049
Energy: 0.43077679926520607
Energy: 0.44901365957956707
Energy: 0.35475101864778963
Energy: 0.4787935416552801
Energy: 0.38986383109488754
Energy: 0.37386377153632944
Energy: 0.5756947236897376
Energy: 0.3888673990940102
Energy: 0.3691444340732195
Energy: 0.5641450627162646
Energy: 0.36522671893773245
Energy: 0.3472620105168087
Energy: 0.49729460471825915
Energy: 0.36343298756317893
Energy: 0.3692767417939017
Energy: 0.4237005037383323
Energy: 0.4560610201637283
Energy: 0.3779915192387474
Energy: 0.4222110430698498
Energy: 0.44765395826964377
Energy: 0.33070155508959603
Energy: 0.3272468576325255
Energy: 0.43516045952104043
Energy: 0.3174535068248717
Energy: 0.3263321557882184
Energy: 0.4905033617655414
Energy: 0.3261222398442289
Energy: 0.3102659850563161
Energy: 0.4285611513554043
Energy: 0.3824367116117685
Energy: 0.31140123531745834
Energy: 0.3836056617938054
Energy: 0.3105215425965944
Energy: 0.3557837372238195
Energy: 0.4681285016608203
Energy: 0.31779683613822535
Energy: 0.35777507703652217
Energy: 0.46774087724469804
Energy: 0.38188234207184846
Energy: 0.38617936636531613
Energy: 0.35709129506348203
Energy: 0.37074757659785024
Energy: 0.3868300875586595
Energy: 0.3551202589743515
Energy: 0.3224667016428535
Energy: 0.45285770389369007
Energy: 0.3563512881557613
Energy: 0.35625204023135715
Energy: 0.45341331199782486
Energy: 0.3563820647498001
Energy: 0.3641339161869405
Energy: 0.5197596320142891
Energy: 0.4214987269416256
Energy: 0.35028192712398787
Energy: 0.47764232908377846
Energy: 0.4183076868883942
Energy: 0.3772457547029971
Energy: 0.41589550994737773
Energy: 0.43164641735358855
Energy: 0.3912527204174772
Energy: 0.4165482460758872
Energy: 0.42524439154052723
Energy: 0.37331966391898247
Energy: 0.36015439432924423
Energy: 0.3488560481229978
Energy: 0.3632430094479106
Energy: 0.37088114401626343
Energy: 0.49072935940956175
Energy: 0.37063822025804355
Energy: 0.34927693021365036
Energy: 0.37088899472100595
Energy: 0.3211809187809447
Energy: 0.34980038082199194
Energy: 0.325178914175751
Energy: 0.3949404779566814
Energy: 0.43974348894769333
Energy: 0.4156514574734865
Energy: 0.41720515503283595
Energy: 0.44073271339037107
Energy: 0.4128448749803993
Energy: 0.45045467021435875
Energy: 0.39507617396376804
Energy: 0.31533888646167973
Energy: 0.31623158861020495
Energy: 0.395971623607743
Energy: 0.31240330911718744
Energy: 0.3279268952728307
Energy: 0.43437101386652016
Energy: 0.3350525200865631
Energy: 0.3346885345158551
Energy: 0.4345889341104045
Energy: 0.32769446343995035
Energy: 0.3291358433431498
Energy: 0.4456006875023563
Energy: 0.40810447467890615
Energy: 0.36894001059693093
Energy: 0.44864125095763563
Energy: 0.42303686258163326
Energy: 0.3300811064871053
Energy: 0.34078106504532957
Energy: 0.3979463179835921
Energy: 0.37845782055168253
Energy: 0.3416034841543841
Energy: 0.45309703014828245
Energy: 0.33948293694526654
Energy: 0.38783824807691575
Energy: 0.36238463305043017
Energy: 0.3844659399372705
Energy: 0.38789750967695524
Energy: 0.5818390209626334
Energy: 0.37407202291211233
Energy: 0.469213847105858
Energy: 0.37313329978024634
Energy: 0.3604202479957476
Energy: 0.4703640811951462
Energy: 0.42088501327037287
Energy: 0.36750740319527286
Energy: 0.48994299281589604
Energy: 0.40551480011133473
Energy: 0.34926215726701615
Energy: 0.4910819462039097
Energy: 0.40603021275089074
Energy: 0.34931803707835163
Energy: 0.3692703198369782
Energy: 0.3592267680567047
Energy: 0.35616705931500003
Energy: 0.3696606851731985
Energy: 0.3514597497580624
Energy: 0.36673290560821664
Energy: 0.4296741444680835
Energy: 0.4452106425818294
Energy: 0.4186118807597934
Energy: 0.4305375545541386
Energy: 0.38633597355390176
Energy: 0.42262037055687296
Energy: 0.36794007540408197
Energy: 0.4011787969881474
Energy: 0.40234100986941945
Energy: 0.368949477651178
Energy: 0.37151636693014367
Energy: 0.3996839522392685
Energy: 0.3481529437683028
Energy: 0.3273138602721913
Energy: 0.3629697037036479
Energy: 0.3490683919378382
Energy: 0.4512782391025614
Energy: 0.3440506701572563
Energy: 0.42504900984256777
Energy: 0.386638881782094
Energy: 0.3321725328868943
Energy: 0.4260111800429831
Energy: 0.4923476756042473
Energy: 0.3809620173581639
Energy: 0.4119677744392951
Energy: 0.39929910950998976
Energy: 0.39996498639752737
Energy: 0.4125829688152559
Energy: 0.42207160634948915
Energy: 0.40797965916140105

minimum gb energy = 0.3077174373658866 eV
minimum distance =  2.55482263811399 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.6256519013456965
Energy: 0.4031149619702299
Energy: 0.3845499137446517
Energy: 0.5881532406642306
Energy: 0.4688743748614267
Energy: 0.4113924106077001
Energy: 0.46340569315599567
Energy: 0.34832751937506234
Energy: 0.3367456643999845
Energy: 0.4400650632698062
Energy: 0.34452606533044405
Energy: 0.33925981230898045
Energy: 0.458277852063019
Energy: 0.45478087264115014
Energy: 0.460167638983969
Energy: 0.4169141325053935
Energy: 0.42039801275836536
Energy: 0.4519694746305577
Energy: 0.3879246292785346
Energy: 0.3545479575393178
Energy: 0.34599869683823054
Energy: 0.3792925890521005
Energy: 0.3878782011766894
Energy: 0.35830063943127327
Energy: 0.38396297325250667
Energy: 0.35540947780731336
Energy: 0.39850135963251593
Energy: 0.39140449534581556
Energy: 0.44928950392243727
Energy: 0.4059325474565128
Energy: 0.4486576146658789
Energy: 0.3723898806267984
Energy: 0.3846515419584257
Energy: 0.4461145725239456
Energy: 0.405065037779785
Energy: 0.43233584248530865
Energy: 0.3887678500035158
Energy: 0.43588109801969305
Energy: 0.39123390375483086
Energy: 0.3858561445073303
Energy: 0.44234988599175823
Energy: 0.41164150491536294
Energy: 0.5291755008289325
Energy: 0.6026428882126829
Energy: 0.6141295259121851
Energy: 0.5242261062217979
Energy: 0.6019384944223356
Energy: 0.39565514993058043
Energy: 0.42398305106424145
Energy: 0.45247629283570173
Energy: 0.43511390270908484
Energy: 0.42987648294655245
Energy: 0.4661379098054013
Energy: 0.3676929338415645
Energy: 0.43237358314325575
Energy: 0.33471802612134266
Energy: 0.3761153720498199
Energy: 0.4417264057583637
Energy: 0.37115506210807403
Energy: 0.3768476537354109
Energy: 0.38925071186057325
Energy: 0.40495960061483255
Energy: 0.3348020457114761
Energy: 0.38601076757610076
Energy: 0.47679806451202406
Energy: 0.36104695135667186
Energy: 0.39795582375747945
Energy: 0.46787153337582255
Energy: 0.44007162100016955
Energy: 0.3908121652329845
Energy: 0.4479360156163846
Energy: 0.4510644151355881
Energy: 0.447138090223844
Energy: 0.4481072485219481
Energy: 0.4464920058011058
Energy: 0.44962707942107893
Energy: 0.39088905800972984
Energy: 0.4402767677431384
Energy: 0.4450122803192089
Energy: 0.38189826316742587
Energy: 0.3907545111191533
Energy: 0.444406132971457
Energy: 0.3833379324170606
Energy: 0.38455520052312653
Energy: 0.4925578568695724
Energy: 0.4529372229372761
Energy: 0.43470665893137833
Energy: 0.48605450221899243
Energy: 0.442783414341238
Energy: 0.4252909465324837
Energy: 0.4523550180791745
Energy: 0.3946503388611733
Energy: 0.3748187680406176
Energy: 0.44720101327670386
Energy: 0.4168791366750639
Energy: 0.38390970456304735
Energy: 0.5729878470485655
Energy: 0.423941394627282
Energy: 0.4145638172535475
Energy: 0.5699789192602975
Energy: 0.5212939318879224
Energy: 0.416349300904606
Energy: 0.4518126933347436
Energy: 0.35325741503645336
Energy: 0.41579895001120665
Energy: 0.4527421832466844
Energy: 0.3596616033665945
Energy: 0.38433399758068437
Energy: 0.45278105089362425
Energy: 0.4205324720985762
Energy: 0.3627943609346643
Energy: 0.4485413531786528
Energy: 0.4217654952710425
Energy: 0.3112927327851466
Energy: 0.4484351563102946
Energy: 0.37868674161889304
Energy: 0.3329423398210183
Energy: 0.448454378483051
Energy: 0.37721834637938756
Energy: 0.31126496726679487
Energy: 0.40534521142920044
Energy: 0.38294977713483
Energy: 0.40062244546433795
Energy: 0.40582813975564913
Energy: 0.3924122714108037
Energy: 0.4194794882049076
Energy: 0.44555135422360925
Energy: 0.4500214797082655
Energy: 0.44923731946083184
Energy: 0.44599513202310725
Energy: 0.4534872140875903
Energy: 0.44829135266176867
Energy: 0.3553726472293926
Energy: 0.3798887362244588
Energy: 0.3564849072553297
Energy: 0.35624586877697817
Energy: 0.385312269198443
Energy: 0.36727416928608797
Energy: 0.3801904087341735
Energy: 0.39051837680053103
Energy: 0.3807815005793471
Energy: 0.3782815192208901
Energy: 0.5250083305676765
Energy: 0.3838672232299574
Energy: 0.4508513537084661
Energy: 0.4585632969833351
Energy: 0.3843323979863366
Energy: 0.447126557126876
Energy: 0.4519336636886182
Energy: 0.38600017297826955
Energy: 0.46614474537481154
Energy: 0.37026451500640145
Energy: 0.3719424303757182
Energy: 0.4667078675919971
Energy: 0.37548683721956394
Energy: 0.4044901035365097
Energy: 0.4515947766854893
Energy: 0.35338855808198166
Energy: 0.36295994184573743
Energy: 0.45258237913197485
Energy: 0.3668552874747676
Energy: 0.4041045710138426
Energy: 0.43060348807504
Energy: 0.465504131818859
Energy: 0.3636148357278522
Energy: 0.42428409628374836
Energy: 0.4577160863250199
Energy: 0.3660413152834741
Energy: 0.3944586643727733
Energy: 0.33478839341703837
Energy: 0.35637473837873074
Energy: 0.40666395726594623
Energy: 0.47843421836513744
Energy: 0.3565395553540779
Energy: 0.3705905806514931
Energy: 0.39677838184625686
Energy: 0.3603934136763828
Energy: 0.36789315976335335
Energy: 0.4114235993034165
Energy: 0.3602341121763582
Energy: 0.45989554763134327
Energy: 0.4647757063177172
Energy: 0.5317014102529928
Energy: 0.46012991103875545
Energy: 0.4675350884571418
Energy: 0.44712674942546404
Energy: 0.3963783388059458
Energy: 0.3874277114428536
Energy: 0.3865250412577831
Energy: 0.4021137915068024
Energy: 0.38887496430947244
Energy: 0.3633248593540889
Energy: 0.47586757298891885
Energy: 0.39488545542798115
Energy: 0.3998708534197338
Energy: 0.4634732720691482
Energy: 0.3365569387984677
Energy: 0.3836370985713001
Energy: 0.4529403023298876
Energy: 0.4579564190169605
Energy: 0.4007693970767297
Energy: 0.46006297420788456
Energy: 0.4263585181217126
Energy: 0.40567067043692534
Energy: 0.36617685765889113
Energy: 0.36714541940606765
Energy: 0.42161184298586346
Energy: 0.36937285447391605
Energy: 0.4434094610222379
Energy: 0.369070247231431
Energy: 0.6052981640617112
Energy: 0.3560669035049004
Energy: 0.3701880271769068
Energy: 0.4173714455317732
Energy: 0.45231111910049976
Energy: 0.3726471551492497
Energy: 0.4959713057611709
Energy: 0.34193720175164294
Energy: 0.33661909817654506
Energy: 0.4571690383562752
Energy: 0.39558841100622805
Energy: 0.37631404024217574
Energy: 0.6187769994502096
Energy: 0.3830251303524407
Energy: 0.3877298877135668
Energy: 0.5942811490253377
Energy: 0.38212841012365245
Energy: 0.396772386226266

minimum gb energy = 0.31126496726679487 eV
minimum distance =  2.5325529302863 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.5871387460746371
Energy: 0.513171661830392
Energy: 0.47554740847588384
Energy: 0.5884029038797965
Energy: 0.608671218303299
Energy: 0.4176679942056453
Energy: 0.42937935720458126
Energy: 0.40781802076399265
Energy: 0.4079400900082313
Energy: 0.4329166363746938
Energy: 0.4095723677512706
Energy: 0.40057247778624083
Energy: 0.410830778982013
Energy: 0.31246162982170744
Energy: 0.34181153696853467
Energy: 0.41092638828776357
Energy: 0.41391989544176483
Energy: 0.4123666635240708
Energy: 0.331854430019574
Energy: 0.307854080421124
Energy: 0.33035526558775813
Energy: 0.3303435930652102
Energy: 0.4293263013000244
Energy: 0.33042021551744855
Energy: 0.35290321064204844
Energy: 0.3620542683341684
Energy: 0.34602226222839355
Energy: 0.35296240087771186
Energy: 0.4319531762471117
Energy: 0.32803131384199846
Energy: 0.4377109303713413
Energy: 0.36625627435880215
Energy: 0.4415982470203344
Energy: 0.43740068267140825
Energy: 0.3528855117576349
Energy: 0.32771282793490086
Energy: 0.4201104924469532
Energy: 0.33192120590467855
Energy: 0.331899864472605
Energy: 0.40877382910265786
Energy: 0.33314905626464764
Energy: 0.3303745045061713
Energy: 0.5042431220894777
Energy: 0.40959112342938064
Energy: 0.4105140412514053
Energy: 0.5049936332619273
Energy: 0.4109345140646836
Energy: 0.42311813052632363
Energy: 0.40717378645676966
Energy: 0.32963364661507955
Energy: 0.3259071701708637
Energy: 0.4076120904443497
Energy: 0.4130849241383995
Energy: 0.367135833746189
Energy: 0.43892811860859215
Energy: 0.4026791481130351
Energy: 0.4177791344233411
Energy: 0.4019935603940079
Energy: 0.5244236024427934
Energy: 0.415536202442893
Energy: 0.4174955872978148
Energy: 0.40806763117040173
Energy: 0.3870269898819102
Energy: 0.41767070423881014
Energy: 0.44279894624338606
Energy: 0.4077386397285603
Energy: 0.42184443986640513
Energy: 0.41184233021617583
Energy: 0.36332866275776365
Energy: 0.3945769658180738
Energy: 0.4136604042961441
Energy: 0.32619126534374854
Energy: 0.43791449431325474
Energy: 0.3486647146486578
Energy: 0.3538565842045188
Energy: 0.43981683465237714
Energy: 0.3486025287063794
Energy: 0.3538362467171616
Energy: 0.4125136362585726
Energy: 0.37971819850593935
Energy: 0.4010342878826854
Energy: 0.41256282902312075
Energy: 0.37872935752987613
Energy: 0.402082297253012
Energy: 0.419523428400789
Energy: 0.48789457143841886
Energy: 0.4889502682916076
Energy: 0.4200916309325371
Energy: 0.44874868996847495
Energy: 0.4100243692169548
Energy: 0.3109275731022227
Energy: 0.35903643870585017
Energy: 0.3057677383098882
Energy: 0.3111296630935114
Energy: 0.3802916525995067
Energy: 0.3256164500602811
Energy: 0.31999439187609247
Energy: 0.3682714504649292
Energy: 0.31502421952737186
Energy: 0.3199002024491223
Energy: 0.42918762695047813
Energy: 0.3154063516628994
Energy: 0.41087035202944294
Energy: 0.41572847822531805
Energy: 0.35804644670900565
Energy: 0.41054473866324953
Energy: 0.4077784847651352
Energy: 0.30227718037124746
Energy: 0.4503912837110284
Energy: 0.37739761316233955
Energy: 0.37813703516488084
Energy: 0.4499687559882589
Energy: 0.37807888438007775
Energy: 0.32859768125138156
Energy: 0.44210149666648574
Energy: 0.39827360997906036
Energy: 0.39830743175558364
Energy: 0.4437668669067334
Energy: 0.4001493227609437
Energy: 0.3766093752876737
Energy: 0.411750549591498
Energy: 0.40571939994624956
Energy: 0.41197369873812323
Energy: 0.4119042698541874
Energy: 0.4191269342716712
Energy: 0.4187286430396818
Energy: 0.44190164205344024
Energy: 0.35420727905400096
Energy: 0.3689911720926159
Energy: 0.43842349264300945
Energy: 0.5275528695122325
Energy: 0.3679406247167989
Energy: 0.4084526360961989
Energy: 0.3727381266683266
Energy: 0.35740295364721414
Energy: 0.4072350330742734
Energy: 0.39120332134280245
Energy: 0.42877276552365245
Energy: 0.38769967145916034
Energy: 0.40652393525109076
Energy: 0.42174281057951074
Energy: 0.3928877714162844
Energy: 0.40759984190797266
Energy: 0.3904395909804737
Energy: 0.4046202168689321
Energy: 0.320078920962357
Energy: 0.3199092282630454
Energy: 0.40452167136452266
Energy: 0.32017194629843304
Energy: 0.3158027001952178
Energy: 0.4305620911696755
Energy: 0.3298400229047373
Energy: 0.3271436128575766
Energy: 0.3797593129845978
Energy: 0.3301755613586526
Energy: 0.3002936928749653
Energy: 0.3784498196238373
Energy: 0.41877770838807077
Energy: 0.3095934894416259
Energy: 0.37849400423056934
Energy: 0.41898147930000307
Energy: 0.29540893801825063
Energy: 0.3610644526403256
Energy: 0.4196777830858297
Energy: 0.3544221650248532
Energy: 0.3579611960088628
Energy: 0.3899304347710513
Energy: 0.3556716080539922
Energy: 0.4497795460277282
Energy: 0.3306105942537596
Energy: 0.3875615531314117
Energy: 0.45055982833584063
Energy: 0.4329145057447801
Energy: 0.41329092293256564
Energy: 0.43456903902588667
Energy: 0.408119541370338
Energy: 0.4357773671416434
Energy: 0.4345157333400838
Energy: 0.40538457234908615
Energy: 0.3787012021163456
Energy: 0.5880102277885975
Energy: 0.40007963937958596
Energy: 0.4235180608731275
Energy: 0.5882263675282011
Energy: 0.43060506313856717
Energy: 0.4235832225629456

minimum gb energy = 0.29540893801825063 eV
minimum distance =  2.38289368235586 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.45924382586015033
Energy: 0.37125800806954834
Energy: 0.37377007130342
Energy: 0.46076243870895556
Energy: 0.4308074216655578
Energy: 0.3704179562668255
Energy: 0.4335128806165287
Energy: 0.33184585702047187
Energy: 0.3322442343195249
Energy: 0.40234514938622007
Energy: 0.3320165661117022
Energy: 0.32154901643079015
Energy: 0.4070826799225339
Energy: 0.27290019158397777
Energy: 0.27318151588036554
Energy: 0.40765478755681955
Energy: 0.37962331538123023
Energy: 0.4632844186259024
Energy: 0.3239076868020161
Energy: 0.38924171661972884
Energy: 0.2710189059345026
Energy: 0.3246356130258138
Energy: 0.40769606532036806
Energy: 0.3220597512745189
Energy: 0.33375321427375787
Energy: 0.2995141408005535
Energy: 0.2999613003550275
Energy: 0.3317214797272211
Energy: 0.40129211573541096
Energy: 0.30044176065043915
Energy: 0.40551762738467967
Energy: 0.3001523141369639
Energy: 0.29886462583817314
Energy: 0.43332229666611827
Energy: 0.331801806989656
Energy: 0.2988893700787775
Energy: 0.4189118175734039
Energy: 0.32665605472659526
Energy: 0.32647901489864084
Energy: 0.41906078825164306
Energy: 0.3266800908475233
Energy: 0.3311893864786012
Energy: 0.4317389430805948
Energy: 0.40760016434370655
Energy: 0.43861757271352253
Energy: 0.4322345444629193
Energy: 0.40645057898404935
Energy: 0.4388727878968337
Energy: 0.3929553060355735
Energy: 0.3164956740016037
Energy: 0.31371631800667166
Energy: 0.3927553088072511
Energy: 0.4074711482893912
Energy: 0.37412623075997126
Energy: 0.441588584801875
Energy: 0.35015629083527433
Energy: 0.3497807570362659
Energy: 0.3790256911626014
Energy: 0.510358571923581
Energy: 0.34957521138499487
Energy: 0.42155033217100507
Energy: 0.37426643366720364
Energy: 0.39769648828939663
Energy: 0.4218862373774206
Energy: 0.3904720822869554
Energy: 0.4429596038643926
Energy: 0.4329803461626934
Energy: 0.35748536118736746
Energy: 0.3477453371376385
Energy: 0.43305503606135204
Energy: 0.40702887242195185
Energy: 0.35140298850945506
Energy: 0.4423145931932091
Energy: 0.298056555266424
Energy: 0.3816678681378551
Energy: 0.4432708432790922
Energy: 0.2968943019188586
Energy: 0.3804138250000485
Energy: 0.40761617796045624
Energy: 0.3329698392069039
Energy: 0.3331710803933735
Energy: 0.4075096575405154
Energy: 0.33259481377427325
Energy: 0.31394677072144905
Energy: 0.4057538986106283
Energy: 0.5014150666558796
Energy: 0.3820614522215856
Energy: 0.40608099365728506
Energy: 0.46261818355168544
Energy: 0.4347304451946478
Energy: 0.3211475699818258
Energy: 0.322246931910869
Energy: 0.3200282046409298
Energy: 0.32178620588201284
Energy: 0.3587050991319245
Energy: 0.32082757561205993
Energy: 0.3308064000716476
Energy: 0.37012815548456507
Energy: 0.29877959480485805
Energy: 0.3315090642373077
Energy: 0.43347001826377735
Energy: 0.2986768287306951
Energy: 0.41223323636399495
Energy: 0.33178325486787824
Energy: 0.3242140794640156
Energy: 0.41273315826631374
Energy: 0.33358635891500193
Energy: 0.28686284577048166
Energy: 0.4265827636024385
Energy: 0.3239001350826079
Energy: 0.3220307550968344
Energy: 0.42625352371193115
Energy: 0.3238157631123611
Energy: 0.3103923616828353
Energy: 0.40796284702793734
Energy: 0.40975295244345067
Energy: 0.34612337417250744
Energy: 0.40755826160881103
Energy: 0.40763185366039867
Energy: 0.3446239928504396
Energy: 0.3922741684461199
Energy: 0.3138028040816682
Energy: 0.37649817421551907
Energy: 0.39244817914891245
Energy: 0.3291471170651239
Energy: 0.45035623600386887
Energy: 0.5056796620413837
Energy: 0.31105777879679963
Energy: 0.4087942351387507
Energy: 0.5058504843609298
Energy: 0.5301060891159615
Energy: 0.4093098913122698
Energy: 0.4069933129830181
Energy: 0.3286457636102084
Energy: 0.3267211853731273
Energy: 0.4069260313470325
Energy: 0.34767602727056657
Energy: 0.4366913293891774
Energy: 0.44256776033205325
Energy: 0.3271518589768011
Energy: 0.3813650400823649
Energy: 0.43937265194162944
Energy: 0.3262628226705636
Energy: 0.3804401056457732

minimum gb energy = 0.2710189059345026 eV
minimum distance =  2.56573270518759 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.5720021833518328
Energy: 0.37773845546163165
Energy: 0.36289127270939
Energy: 0.5741222639919937
Energy: 0.3839439561263235
Energy: 0.2926065726619102
Energy: 0.3461016023505543
Energy: 0.3659544325115577
Energy: 0.3660819079733902
Energy: 0.3558452373842958
Energy: 0.3658650442714463
Energy: 0.30854221199601956
Energy: 0.35257001685279094
Energy: 0.1994032100353117
Energy: 0.20097045884528236
Energy: 0.35236773555728784
Energy: 0.3908516758371989
Energy: 0.4349951318895199
Energy: 0.31038779203111666
Energy: 0.2015237307163855
Energy: 0.2318462148145644
Energy: 0.31034171028237195
Energy: 0.3909277568254417
Energy: 0.3168919670990792
Energy: 0.31552189240575684
Energy: 0.32557198934578974
Energy: 0.3215013352206049
Energy: 0.31617883167683375
Energy: 0.3623199305487664
Energy: 0.2948448041845452
Energy: 0.4207555073614499
Energy: 0.24610309437675257
Energy: 0.2973675664902726
Energy: 0.4218993004444185
Energy: 0.24630557756846416
Energy: 0.3252472969139784
Energy: 0.36104445831791304
Energy: 0.246935398160316
Energy: 0.24617153966311814
Energy: 0.36144299213351716
Energy: 0.2476151386385796
Energy: 0.24652812274711505
Energy: 0.39915941864401017
Energy: 0.3903773947947826
Energy: 0.4019552026291971
Energy: 0.39983386190745585
Energy: 0.3937984660587805
Energy: 0.39096723600830824
Energy: 0.2477885862396874
Energy: 0.29964354655028413
Energy: 0.3019663538358287
Energy: 0.24838287162010844
Energy: 0.36129038272931613
Energy: 0.24662999210424968
Energy: 0.24617285044965626
Energy: 0.25599168574742165
Energy: 0.29783458095243925
Energy: 0.24621179138200516
Energy: 0.3728035879489549
Energy: 0.29765140277963587
Energy: 0.36185539806697176
Energy: 0.3057488281655264
Energy: 0.2944495852031249
Energy: 0.36228700570951494
Energy: 0.3060781480040992
Energy: 0.3224591421547475
Energy: 0.380086987087214
Energy: 0.3113260292030618
Energy: 0.3113646986496
Energy: 0.3797294929374037
Energy: 0.3111243255263193
Energy: 0.3112511912638817
Energy: 0.3789056563162952
Energy: 0.35167767711447334
Energy: 0.3969877137118293
Energy: 0.3787279238099736
Energy: 0.35138393267328494
Energy: 0.39668639893399543
Energy: 0.3658682465996998
Energy: 0.3273586851162173
Energy: 0.3278027829578389
Energy: 0.3656358910167884
Energy: 0.3559137201598085
Energy: 0.3374514494306459
Energy: 0.4215452522693412
Energy: 0.27805321584001386
Energy: 0.30897400391868124
Energy: 0.42171661386458753
Energy: 0.46980489792760854
Energy: 0.3088998506073762
Energy: 0.3573570412088993
Energy: 0.357193008081199
Energy: 0.37526802578108914
Energy: 0.35740684861789435
Energy: 0.30826759168193263
Energy: 0.3578036688326186
Energy: 0.4686841576062172
Energy: 0.37452188390449737
Energy: 0.35778952339458747
Energy: 0.3898860022807192
Energy: 0.35602087020255685
Energy: 0.35893726798690856

minimum gb energy = 0.1994032100353117 eV
minimum distance =  2.56474669466513 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.569606956494731
Energy: 0.36634119351216665
Energy: 0.2920671265761047
Energy: 0.5712525720328028
Energy: 0.4336579915315398
Energy: 0.2885324736296865
Energy: 0.32091281220033085
Energy: 0.3325593553207423
Energy: 0.3349706856287266
Energy: 0.3276061692185563
Energy: 0.33210636989251974
Energy: 0.27629753629655857
Energy: 0.32630904164203317
Energy: 0.25397322414928336
Energy: 0.20071545393664297
Energy: 0.32633207345305837
Energy: 0.32522160366222913
Energy: 0.33580699589614793
Energy: 0.3059385910183685
Energy: 0.2344429259695579
Energy: 0.23428248978194469
Energy: 0.30617582125054793
Energy: 0.3086681063342658
Energy: 0.2646534645922558
Energy: 0.29992434954366476
Energy: 0.33733068147460743
Energy: 0.31312487275167156
Energy: 0.3010756176935797
Energy: 0.33447758238188463
Energy: 0.2950490450315327
Energy: 0.44690579224597526
Energy: 0.24378174272335873
Energy: 0.17005112926046823
Energy: 0.44809759150589346
Energy: 0.2435179531466582
Energy: 0.2761985994443253
Energy: 0.3227428865175802
Energy: 0.2432185271639461
Energy: 0.24010535348991857
Energy: 0.32307603073343366
Energy: 0.24077496125175188
Energy: 0.24038225644513364
Energy: 0.35906520982605394
Energy: 0.343138918835973
Energy: 0.33302713480070834
Energy: 0.35432180607082386
Energy: 0.369638418506032
Energy: 0.3310449706069875
Energy: 0.21668389809664243
Energy: 0.24563438420586545
Energy: 0.21471227353637104
Energy: 0.21736983653070807
Energy: 0.3229659463232137
Energy: 0.21516261782194115
Energy: 0.2132311950108105
Energy: 0.3604292660655293
Energy: 0.2981063672389933
Energy: 0.2133810454425725
Energy: 0.37777803699047685
Energy: 0.30856283336604545
Energy: 0.37735623893246223
Energy: 0.21316213324278102
Energy: 0.29957874603114715
Energy: 0.3782600535184845
Energy: 0.21329371022103524
Energy: 0.305756100351845
Energy: 0.32617496471034374
Energy: 0.21487937640988447
Energy: 0.21536598921126002
Energy: 0.32674929460175445
Energy: 0.21696900897552465
Energy: 0.21458169339357266
Energy: 0.3375838551103166
Energy: 0.3555743996100527
Energy: 0.3314022210311374
Energy: 0.3237732346018759
Energy: 0.35600300687096337
Energy: 0.331787900804327
Energy: 0.24200497205628238
Energy: 0.2684030442526271
Energy: 0.23969670494547635
Energy: 0.2428752328453627
Energy: 0.32076072016068413
Energy: 0.23980843647621397
Energy: 0.24499200317116943
Energy: 0.28841031330297456
Energy: 0.2743247301150526
Energy: 0.24488037397360116
Energy: 0.43810487663098324
Energy: 0.21710819796322303
Energy: 0.3352750318389831
Energy: 0.3053151609629006
Energy: 0.35125174059188974
Energy: 0.33610496602501483
Energy: 0.30184333273051966
Energy: 0.2882409969143952
Energy: 0.31344099900686856
Energy: 0.3076807607805306
Energy: 0.3079081271680772
Energy: 0.32217539611351886
Energy: 0.3093303539183155
Energy: 0.2117825337542268
Energy: 0.31206272127986573
Energy: 0.32624581567014155
Energy: 0.3713019268006899
Energy: 0.31208988315092917
Energy: 0.3305090030321033
Energy: 0.3025067319678211
Energy: 0.33378808523696535
Energy: 0.3164888294978811
Energy: 0.3718561861329176
Energy: 0.3340789486480786
Energy: 0.31201841922345697
Energy: 0.3335473792760151
Energy: 0.35849279063027756
Energy: 0.23113041311418955
Energy: 0.30167512767879073
Energy: 0.38480509693964804
Energy: 0.5275372446945549
Energy: 0.33247627655614254
Energy: 0.33177756419556
Energy: 0.3322035845372929
Energy: 0.36179321182047247
Energy: 0.33057584942849233
Energy: 0.3313113794687106
Energy: 0.31631664626266903
Energy: 0.30794152918297507
Energy: 0.3303827888785355
Energy: 0.3415847310932481
Energy: 0.30886003508427945
Energy: 0.33030974165362786
Energy: 0.2337669255013353
Energy: 0.3092268761559768
Energy: 0.35994211241696256
Energy: 0.3344486791608291
Energy: 0.3086473293522873
Energy: 0.3574791026765927
Energy: 0.3115020299204238
Energy: 0.3263360171703031
Energy: 0.3074788303453534
Energy: 0.2928237373882673
Energy: 0.32716151774275526
Energy: 0.3263951830920523
Energy: 0.322227222028589
Energy: 0.3069287819126353
Energy: 0.2497880704330831
Energy: 0.23400665469588122
Energy: 0.3019775927718328
Energy: 0.4839355434366566
Energy: 0.26513536345172106
Energy: 0.29785649851256635
Energy: 0.2677824114151216
Energy: 0.29334092237004983
Energy: 0.29868547757817565
Energy: 0.3220868390956408
Energy: 0.2980195163788611
Energy: 0.44855254149857343
Energy: 0.3326029224210653
Energy: 0.3819446078080138
Energy: 0.4496731006748309
Energy: 0.33432024671155597
Energy: 0.341836997458737
Energy: 0.31518688647106896
Energy: 0.24546720116326612
Energy: 0.24397014711547957
Energy: 0.3153583614693056
Energy: 0.24649506105042795
Energy: 0.24408440244752133
Energy: 0.3533168538725616
Energy: 0.31559658882872277
Energy: 0.34237810880300173
Energy: 0.354291182666781
Energy: 0.23931515540526116
Energy: 0.32864731140065745
Energy: 0.21487597638844622
Energy: 0.34256159718975443
Energy: 0.23436113513839668
Energy: 0.2149851632928878
Energy: 0.3739277558561802
Energy: 0.25440611071332603
Energy: 0.21568998641385376
Energy: 0.30004144204619704
Energy: 0.27514917958562013
Energy: 0.2167050054117854
Energy: 0.320297006525666
Energy: 0.21287561115578074
Energy: 0.37566861143313357
Energy: 0.34962218511746895
Energy: 0.34720309386278175
Energy: 0.3768742821959143
Energy: 0.32076335400784595
Energy: 0.3291341422028703
Energy: 0.3201610668936692
Energy: 0.21685802210315194
Energy: 0.21441680545376168
Energy: 0.32070281487862606
Energy: 0.21659538073995252
Energy: 0.21447854499604424
Energy: 0.41971564229659253
Energy: 0.22538644563560772
Energy: 0.2878096399018765
Energy: 0.42094172918489353
Energy: 0.21442220778914942
Energy: 0.2813972774618804
Energy: 0.24310094936871662
Energy: 0.2804039518497701
Energy: 0.3098801696137068
Energy: 0.24393055303553748
Energy: 0.3353820956991966
Energy: 0.3197716759295914
Energy: 0.24395991102493594
Energy: 0.2748858309797546
Energy: 0.2736274642755362
Energy: 0.24399142184306236
Energy: 0.31721289034551997
Energy: 0.2441498991783855
Energy: 0.3323814728422703
Energy: 0.23328285928570802
Energy: 0.27941353792569973
Energy: 0.33316512282984373
Energy: 0.2935063535088071
Energy: 0.3724654634771032
Energy: 0.321320178250192
Energy: 0.3072308764688296
Energy: 0.30642540816121616
Energy: 0.3258895097250944
Energy: 0.3055786563815615
Energy: 0.3064087581986632
Energy: 0.5096841491060364
Energy: 0.3267591931590966
Energy: 0.3076335437506187
Energy: 0.5108915775570649
Energy: 0.3272075440189589
Energy: 0.27078974662314437
Energy: 0.33248760488475426
Energy: 0.3172747473385102
Energy: 0.29380278296623624
Energy: 0.33266836723351434
Energy: 0.3288254178473548
Energy: 0.3759518924634536
Energy: 0.33603037766828203
Energy: 0.23041981330378292
Energy: 0.3005648572217087
Energy: 0.33670765287877236
Energy: 0.41834965013147957
Energy: 0.300798664397646
Energy: 0.32867983184388627
Energy: 0.38208150900382276
Energy: 0.274641654079629
Energy: 0.3292418067898525
Energy: 0.3123616462655672
Energy: 0.3346085458459922
Energy: 0.3264412222143792
Energy: 0.33198058103802797
Energy: 0.33420206016199017
Energy: 0.3080404202189949
Energy: 0.33016966535059933
Energy: 0.3115209625689478

minimum gb energy = 0.17005112926046823 eV
minimum distance =  2.55031038831685 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.48489958721198306
Energy: 0.34789019309641994
Energy: 0.2833411185520234
Energy: 0.48646534193385177
Energy: 0.42545352508648315
Energy: 0.28550952178119815
Energy: 0.30040150859950115
Energy: 0.31028694111874905
Energy: 0.31115581466384523
Energy: 0.3067521075380287
Energy: 0.31433406211827825
Energy: 0.34116425369386905
Energy: 0.31221127714399743
Energy: 0.25230957012127947
Energy: 0.2896050755595766
Energy: 0.3124699545081326
Energy: 0.2808877505631746
Energy: 0.23142520657496468
Energy: 0.29364389843039257
Energy: 0.2519990942001709
Energy: 0.23203638293559067
Energy: 0.29404536894497313
Energy: 0.2812032760356928
Energy: 0.2574622209990474
Energy: 0.2856292862961517
Energy: 0.31482538307152036
Energy: 0.3083335984512886
Energy: 0.2860510509028183
Energy: 0.31629769997377477
Energy: 0.27130176540371764
Energy: 0.432137065538965
Energy: 0.24072714894836036
Energy: 0.1986250732748203
Energy: 0.43400505662672834
Energy: 0.24047898620835173
Energy: 0.17512617777649514
Energy: 0.2878832708392242
Energy: 0.24064322132880475
Energy: 0.23662334378239872
Energy: 0.28805565497393404
Energy: 0.2372454633566203
Energy: 0.23537167997148484
Energy: 0.30890100205802856
Energy: 0.31813187088867484
Energy: 0.28891763004777254
Energy: 0.3074062426088592
Energy: 0.3064700457741951
Energy: 0.3075113983561609
Energy: 0.21068436172350108
Energy: 0.24078761298909598
Energy: 0.20452904536855684
Energy: 0.2117605658258063
Energy: 0.2926818366424526
Energy: 0.2068602707475868
Energy: 0.2042988976680396
Energy: 0.32662602407316
Energy: 0.30121813391134983
Energy: 0.20415787242300457
Energy: 0.33738865739243673
Energy: 0.3018107393105873
Energy: 0.37029428942796677
Energy: 0.1932410307641763
Energy: 0.2712256889606979
Energy: 0.3712700765360449
Energy: 0.19456161379326053
Energy: 0.27896529586559304
Energy: 0.2903047941975362
Energy: 0.19676382797856687
Energy: 0.19157398970127393
Energy: 0.29135127266821903
Energy: 0.1938797357767646
Energy: 0.23439636740217187
Energy: 0.29247055694182383
Energy: 0.3169431953975482
Energy: 0.28854049737968224
Energy: 0.29327049459452265
Energy: 0.3286655336260309
Energy: 0.28265374136094606
Energy: 0.19189370492223146
Energy: 0.27840221164456314
Energy: 0.1911717336143985
Energy: 0.19270225982191877
Energy: 0.2932365978965989
Energy: 0.19264963386475698
Energy: 0.19341696558325167
Energy: 0.3147219838972466
Energy: 0.2569850694480529
Energy: 0.19347660546644682
Energy: 0.39086635000404885
Energy: 0.2622844926737812
Energy: 0.30927166121029837
Energy: 0.20488063832429224
Energy: 0.24635564065273197
Energy: 0.3093760086567412
Energy: 0.21092395880449794
Energy: 0.2826146539441331
Energy: 0.29473610952692036
Energy: 0.20674740301176392
Energy: 0.2069890896251596
Energy: 0.29509843046426315
Energy: 0.21433100294252624
Energy: 0.20674307286115173
Energy: 0.29165053939533075
Energy: 0.3261509068120249
Energy: 0.29956321047299644
Energy: 0.2918859280747239
Energy: 0.33094761238134734
Energy: 0.26682574057872704
Energy: 0.23550808188118827
Energy: 0.26300234677340206
Energy: 0.2353440517537119
Energy: 0.23680982909044315
Energy: 0.2852201265047769
Energy: 0.24415863180566885
Energy: 0.2909458835585923
Energy: 0.23974653418508315
Energy: 0.30088704542166506
Energy: 0.2907766231174613
Energy: 0.4494159467528556
Energy: 0.28263016669358987
Energy: 0.3139215763218956
Energy: 0.2936137139526306
Energy: 0.2900406779127893
Energy: 0.3145410312881422
Energy: 0.2908070773471851
Energy: 0.3353157500002184
Energy: 0.30814388613359267
Energy: 0.29402919099200125
Energy: 0.2360186916719032
Energy: 0.2784346519477118
Energy: 0.30514290816299755
Energy: 0.21074718725347133
Energy: 0.2966615492076513
Energy: 0.30957307501412085
Energy: 0.34924337097197095
Energy: 0.28920060978824913
Energy: 0.3110800096975336
Energy: 0.23780552497210075
Energy: 0.3134741700663108
Energy: 0.29161220979542
Energy: 0.3091647440897483
Energy: 0.31395683663609614
Energy: 0.2912629993933226
Energy: 0.3213037815030871
Energy: 0.3138051222742181
Energy: 0.25647891464394534
Energy: 0.2863474864804847
Energy: 0.3144757288899537
Energy: 0.26518189106911644
Energy: 0.2698779604558363
Energy: 0.3106021447005418
Energy: 0.315429501666615
Energy: 0.2902291547908053
Energy: 0.3112389032648835
Energy: 0.311299198510298
Energy: 0.33902811985821435
Energy: 0.4871332022282577
Energy: 0.3090555132564691
Energy: 0.25687642343114936
Energy: 0.48850042538792593
Energy: 0.3153874541933272
Energy: 0.23164133799080044

minimum gb energy = 0.17512617777649514 eV
minimum distance =  2.53949493632675 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.42822593485451643
Energy: 0.30201452323726385
Energy: 0.263599556360882
Energy: 0.42920797604840655
Energy: 0.2910054142647925
Energy: 0.19186939814967977
Energy: 0.2522993006674859
Energy: 0.26405545608605396
Energy: 0.26496402957308013
Energy: 0.2565185314140665
Energy: 0.263689864785612
Energy: 0.2889971427238628
Energy: 0.2581199798619324
Energy: 0.20172779010312222
Energy: 0.2166552736780508
Energy: 0.2582385033545355
Energy: 0.220543769932885
Energy: 0.20412955092443835
Energy: 0.23643289055803204
Energy: 0.22005107108913782
Energy: 0.20682444421035667
Energy: 0.2368265486956952
Energy: 0.23872743569719637
Energy: 0.228858177100955
Energy: 0.23446587751363662
Energy: 0.24592641663917345
Energy: 0.22945324096008088
Energy: 0.2345314906533905
Energy: 0.2681372421393333
Energy: 0.25763924655828646
Energy: 0.3937084315499383
Energy: 0.21455802779605196
Energy: 0.18141371613690757
Energy: 0.395525816171937
Energy: 0.21471975930766476
Energy: 0.1995482654959944
Energy: 0.25612102785499374
Energy: 0.21152327647292932
Energy: 0.21155618432419968
Energy: 0.25536875415094334
Energy: 0.21332472156785753
Energy: 0.21093989739136648
Energy: 0.24018685183038435
Energy: 0.22378938858020964
Energy: 0.23430841911515884
Energy: 0.23420490000635802
Energy: 0.23950818087273743
Energy: 0.23554976461759808
Energy: 0.18484054788777923
Energy: 0.2013819765767308
Energy: 0.18335528813189797
Energy: 0.184836482282451
Energy: 0.2395560692495953
Energy: 0.18387667926586662
Energy: 0.18396412511965776
Energy: 0.2688512753457976
Energy: 0.24425385599252794
Energy: 0.1839473744696614
Energy: 0.27952657298206246
Energy: 0.2416150413793987
Energy: 0.36668700391069886
Energy: 0.1696054997765062
Energy: 0.1690379811615979
Energy: 0.36823422949490386
Energy: 0.16963493770085994
Energy: 0.18943644901529383
Energy: 0.23217777969273432
Energy: 0.16605539971485328
Energy: 0.16599172222712288
Energy: 0.23225519011248288
Energy: 0.1663954892432731
Energy: 0.22838604857026149
Energy: 0.2317460079103835
Energy: 0.1820772508637277
Energy: 0.22304388109360734
Energy: 0.23229282053809622
Energy: 0.2352931827277691
Energy: 0.22147949116696133
Energy: 0.15655344202925758
Energy: 0.1934721523091952
Energy: 0.15341043311389146
Energy: 0.15463470713800143
Energy: 0.23342833656346856
Energy: 0.15439308829952653
Energy: 0.15585435029095301
Energy: 0.2552226479651675
Energy: 0.20112114875716985
Energy: 0.15584101648219023
Energy: 0.29895790777139675
Energy: 0.20859830807798543
Energy: 0.23978210744349648
Energy: 0.15143489392346415
Energy: 0.15070238294146412
Energy: 0.24174325895094126
Energy: 0.151568003628649
Energy: 0.20013676591495227
Energy: 0.23561749093645365
Energy: 0.15102791865135176
Energy: 0.1505304870243299
Energy: 0.23635906376655047
Energy: 0.15094693084989075
Energy: 0.20676960546529843
Energy: 0.2361807480971992
Energy: 0.25246394772698855
Energy: 0.22146248971442964
Energy: 0.2370605633745459
Energy: 0.2817029681165188
Energy: 0.2478534501983018
Energy: 0.15155719815213312
Energy: 0.1758495345911455
Energy: 0.1483192458072773
Energy: 0.1487579245075688
Energy: 0.23196520170546933
Energy: 0.14945564911157644
Energy: 0.23282587636369265
Energy: 0.24814987247749845
Energy: 0.22288655985691916
Energy: 0.23326590126919175
Energy: 0.24832870314892813
Energy: 0.2561440673339685
Energy: 0.2320275411572275
Energy: 0.15570322038576792
Energy: 0.15533803890682493
Energy: 0.23271177559428144
Energy: 0.15567642868568757
Energy: 0.23211831164762797
Energy: 0.23852391361446246
Energy: 0.15752756453560443
Energy: 0.156500721866981
Energy: 0.22833416423951458
Energy: 0.15760429497438827
Energy: 0.2049893723791997
Energy: 0.1962312920978161
Energy: 0.2571139624802112
Energy: 0.21176504886779574
Energy: 0.20197946849913134
Energy: 0.2866676588130942
Energy: 0.19501131863961044
Energy: 0.17042905842667666
Energy: 0.18548480125244815
Energy: 0.16516845824021004
Energy: 0.16899343920963536
Energy: 0.24011542674882191
Energy: 0.1660347769630218
Energy: 0.2336960616437726
Energy: 0.23452140834659688
Energy: 0.22867637909752203
Energy: 0.2314982765399134
Energy: 0.2119404923593397
Energy: 0.23024649159659963
Energy: 0.23143489912621568
Energy: 0.18332661916898793
Energy: 0.18343066452369325
Energy: 0.2313190632819054
Energy: 0.18668885365398571
Energy: 0.23767984545378795
Energy: 0.38101048807188
Energy: 0.18866768529954384
Energy: 0.18413879515888923
Energy: 0.3820900323193466
Energy: 0.18891399543013346
Energy: 0.1944891444589382
Energy: 0.2006871046095838
Energy: 0.2586416547153855
Energy: 0.23820733420011045
Energy: 0.2113806705029255
Energy: 0.2813962286621177
Energy: 0.26841526468892696
Energy: 0.2129069462580349
Energy: 0.21003420704108952
Energy: 0.21184353880760964
Energy: 0.2135029551696922
Energy: 0.2367716807419024
Energy: 0.21198422576914666
Energy: 0.24433162977561126
Energy: 0.21345831663086365
Energy: 0.2258878695747267
Energy: 0.2441981458021838
Energy: 0.21939410311883148
Energy: 0.23301829950169234
Energy: 0.26653038924238315
Energy: 0.2544462990202537
Energy: 0.25376228092766334
Energy: 0.26657832613310894
Energy: 0.25377568179283505
Energy: 0.25372775834724437
Energy: 0.41143088005561146
Energy: 0.25726251631491054
Energy: 0.21245556883093833
Energy: 0.41280869655943525
Energy: 0.25726210866197163
Energy: 0.18361630728006595
Energy: 0.23869113513517415
Energy: 0.25871928708987213
Energy: 0.2329786725734135
Energy: 0.23868382511692152
Energy: 0.259787434176314
Energy: 0.2631643560135963
Energy: 0.24648601228708727
Energy: 0.22920523018204694
Energy: 0.19221158509520953
Energy: 0.24606939771403818
Energy: 0.24490436444595892
Energy: 0.2476472121274535
Energy: 0.2617683975106259
Energy: 0.21077858854068965
Energy: 0.22565719464550973
Energy: 0.2615520402345396
Energy: 0.2318701626403358
Energy: 0.22770467538635986
Energy: 0.26127257192519626
Energy: 0.26412267969357495
Energy: 0.2631013202032575
Energy: 0.26204693608985274
Energy: 0.26015592449565783
Energy: 0.2889843135333177

minimum gb energy = 0.1483192458072773 eV
minimum distance =  2.42875254969051 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.12221176132379749
Energy: 0.14325093334682037
Energy: -0.031713123676503086
Energy: -0.030699875325082907
Energy: 0.21219381174325405
Energy: 0.12226896395348957
Energy: 0.14524296220209063
Energy: 0.170523670019932
Energy: 0.2079949544964065
Energy: 0.17926963828620013
Energy: 0.24861240102971002
Energy: 0.17787090194630806
Energy: 0.33157715099405954
Energy: -0.03195689727409696
Energy: -0.03192024983716802
Energy: 0.34866871596096477
Energy: -0.03202609429605007
Energy: -0.032109021788784595
Energy: 0.3128806355576658
Energy: -0.031863391162217335
Energy: -0.031925646385452575
Energy: 0.19319581134821423
Energy: -0.03196485343049375
Energy: -0.008545338371017877
Energy: -0.008762438554718654
Energy: 0.3282555807019118
Energy: 0.21492923887241833
Energy: -0.008240593973546323
Energy: 0.34100091032989616
Energy: 0.2515540341275965
Energy: -0.03157667706486341
Energy: 0.23590349214943923
Energy: -0.0320291548109578
Energy: -0.030471935119802267
Energy: 0.302484873121302
Energy: -0.031841878899058935
Energy: 0.2703060392007938
Energy: 0.17441986495558195
Energy: 0.17700241131278058
Energy: 0.22026355219463084
Energy: 0.21692292530963508
Energy: 0.17579227164356756
Energy: 0.242355727319719
Energy: -0.03190305579902248
Energy: -0.03194198780146465
Energy: 0.15358932126806035
Energy: -0.03210037250951967
Energy: -0.03183294790622176
Energy: 0.1931952331648924
Energy: -0.031706896682841344
Energy: -0.005945817060191436
Energy: 0.18374030884542863
Energy: -0.03183431550217507
Energy: -0.007505203099133703
Energy: 0.12222980777498052
Energy: 0.5035674316991878
Energy: 0.21369402388143666
Energy: -0.03192001901130075
Energy: 0.3444751461265766
Energy: 0.17447256090327667

minimum gb energy = -0.032109021788784595 eV
minimum distance =  2.5132793977901 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.4576235506267335
Energy: 0.29344288620349146
Energy: 0.24408504106358966
Energy: 0.4577417607118366
Energy: 0.16253027363786907
Energy: 0.28908876723499566
Energy: 0.24290205205251167
Energy: 0.2376699142939606
Energy: 0.2149435803475865
Energy: 0.21140062935661105
Energy: 0.19546048194526386
Energy: 0.21482924156027663
Energy: 0.26214241450398135
Energy: 0.25884889398292443
Energy: 0.26246555880289735
Energy: 0.26220230330336153
Energy: 0.28766210506244083
Energy: 0.24358990536518443
Energy: 0.18910555619807295
Energy: 0.23760882170510036
Energy: 0.23727870959784886
Energy: 0.18317835883084158
Energy: 0.1949034166062464
Energy: 0.2539611125293298
Energy: 0.18333469255810017
Energy: 0.2354194254600574
Energy: 0.24734241066647414
Energy: 0.1850090211981554
Energy: 0.19508343190985092
Energy: 0.20886218494870443
Energy: 0.423755396608588
Energy: 0.2280375554143239
Energy: 0.22622695693621223
Energy: 0.43257245397568483
Energy: 0.25991403752955583
Energy: 0.2410333170932511
Energy: 0.17735096628333663
Energy: 0.2079582541814446
Energy: 0.2532081310582761
Energy: 0.17745701159047583
Energy: 0.1945494864940061
Energy: 0.22748778310199932
Energy: 0.17955460945506618
Energy: 0.24086798115366373
Energy: 0.24003522976013747
Energy: 0.17973381003130215
Energy: 0.23015108055387035
Energy: 0.240625271787085
Energy: 0.230633520327798
Energy: 0.24053690414188655
Energy: 0.2726995210460884
Energy: 0.23084196834592724
Energy: 0.19360746408505583
Energy: 0.2370733816330471
Energy: 0.19224124965538342
Energy: 0.18408929196539203
Energy: 0.18721146702287014
Energy: 0.1925177847698864
Energy: 0.1839310237466609
Energy: 0.1872983989540113
Energy: 0.38187524706070625
Energy: 0.24597721314154747
Energy: 0.24530975900486
Energy: 0.38285995441717013
Energy: 0.27638685918453765
Energy: 0.23154448253371104
Energy: 0.19582895046736404
Energy: 0.2281655203212312
Energy: 0.24004587485611992
Energy: 0.1961154640425205
Energy: 0.24801851128292207
Energy: 0.189021734799509
Energy: 0.19404227912662972
Energy: 0.2224131360482525
Energy: 0.23096815701620976
Energy: 0.1915754187786833
Energy: 0.2248689484143461
Energy: 0.2321620216857776
Energy: 0.28258551329903653
Energy: 0.26248358704055585
Energy: 0.24233100037455108
Energy: 0.2833742803227112
Energy: 0.20628255527629846
Energy: 0.24326235397232046
Energy: 0.2255941536764641
Energy: 0.16129439727747033
Energy: 0.18304932219963932
Energy: 0.22344740593542464
Energy: 0.18944065110952807
Energy: 0.1802826099847533
Energy: 0.2253996272004188
Energy: 0.23319162645001731
Energy: 0.23259098986639734
Energy: 0.22423515401022087
Energy: 0.23325886592826522
Energy: 0.23273031740506572
Energy: 0.16769898865652513
Energy: 0.2316830610594279
Energy: 0.2389330657839822
Energy: 0.16796698855694492
Energy: 0.2328824416209897
Energy: 0.17499911771008933
Energy: 0.16699498662244
Energy: 0.23852554125600153
Energy: 0.2399229784658974
Energy: 0.1669076092862612
Energy: 0.33781278289102296
Energy: 0.20155970701933942
Energy: 0.33406549339689856
Energy: 0.21461445377681657
Energy: 0.24018597995705937
Energy: 0.3356881064051311
Energy: 0.2054255155658347
Energy: 0.23965948569382486
Energy: 0.22950067663400242
Energy: 0.1711063443664408
Energy: 0.172417823766899
Energy: 0.22592860503091863
Energy: 0.16852216301107256
Energy: 0.171059114167497
Energy: 0.2327669377921243
Energy: 0.22612966532188858
Energy: 0.22798439160114428
Energy: 0.23665616942365697
Energy: 0.24626912883988797
Energy: 0.2312521799880564
Energy: 0.1818537559752124
Energy: 0.2254666700127466
Energy: 0.23232946735600638
Energy: 0.17552528901090245
Energy: 0.24683253780647954
Energy: 0.17623144296034593
Energy: 0.17520279437992245
Energy: 0.2386048109411864
Energy: 0.2385247563454477
Energy: 0.17545183532142813
Energy: 0.29786298397776245
Energy: 0.24378898680463454
Energy: 0.37408976838964664
Energy: 0.20249378572982918
Energy: 0.19120475470941317
Energy: 0.3759548301415516
Energy: 0.25408473751369626
Energy: 0.2341230358114676
Energy: 0.19716192961196358
Energy: 0.19049744595135604
Energy: 0.18793909225748281
Energy: 0.19735873881934934
Energy: 0.18088486603778792
Energy: 0.187862171308216
Energy: 0.2507762156767384
Energy: 0.23666129090048796
Energy: 0.23646311711491746
Energy: 0.2511289742426834
Energy: 0.2247876346540437
Energy: 0.24086994606340836
Energy: 0.1763821895704859
Energy: 0.2356194163900207
Energy: 0.2380995365160043
Energy: 0.17669431255644472
Energy: 0.2684568671084512
Energy: 0.18714032755710805
Energy: 0.19730560740322545
Energy: 0.250200366935498
Energy: 0.2544154351305279
Energy: 0.1974120861035862
Energy: 0.2316499229752447
Energy: 0.2692051935823732
Energy: 0.3999395862462398
Energy: 0.18021615537820718
Energy: 0.2444678678694387
Energy: 0.41320938668035795
Energy: 0.17983913551767414
Energy: 0.23709664071809086
Energy: 0.19442250272415273
Energy: 0.1801480218169351
Energy: 0.17980778341673437
Energy: 0.19429025528988342
Energy: 0.17996535197005378
Energy: 0.22787080033134718
Energy: 0.28853694099412064
Energy: 0.24422155397597353
Energy: 0.24425903407790278
Energy: 0.284439370489894
Energy: 0.2302128122921565
Energy: 0.24474322204926585
Energy: 0.23419237054522107
Energy: 0.2428283314892744
Energy: 0.2257937322706704
Energy: 0.20757378017890318
Energy: 0.19517091004359702
Energy: 0.23531585382566952
Energy: 0.1853910383237707
Energy: 0.19476413333378093
Energy: 0.21306810137983948
Energy: 0.21571957452937265
Energy: 0.18365146134951055
Energy: 0.2891359603191075

minimum gb energy = 0.16129439727747033 eV
minimum distance =  2.53547251629206 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.44470995107180583
Energy: 0.3235479652952594
Energy: 0.36618925490249465
Energy: 0.44247125956337513
Energy: 0.33537216290316096
Energy: 0.33178808902944396
Energy: 0.25376079453134853
Energy: 0.24377893322546612
Energy: 0.24628736478060703
Energy: 0.2706789057456056
Energy: 0.30985425289911245
Energy: 0.28504368760282284
Energy: 0.32243107067200316
Energy: 0.3159242329807085
Energy: 0.28897872905117306
Energy: 0.3216855385680482
Energy: 0.33760893688764076
Energy: 0.26671497809363665
Energy: 0.2921856481592268
Energy: 0.34310351203997264
Energy: 0.3535488463786319
Energy: 0.2922331349018252
Energy: 0.25970043682095934
Energy: 0.3524112971569381
Energy: 0.24527853524702697
Energy: 0.3077830389961585
Energy: 0.24638491440711388
Energy: 0.2462573342699877
Energy: 0.314709182092313
Energy: 0.24218251075701255
Energy: 0.42037055420666475
Energy: 0.28697879936826615
Energy: 0.31377577873248763
Energy: 0.48536506562627596
Energy: 0.31653811624582523
Energy: 0.3157870401923092
Energy: 0.23349322017896507
Energy: 0.2684988772001956
Energy: 0.26911745051988656
Energy: 0.23413491057776578
Energy: 0.27183056327985206
Energy: 0.2403889184176814
Energy: 0.2729477219943938
Energy: 0.30515242717488783
Energy: 0.3041730095571427
Energy: 0.2737896601876353
Energy: 0.3109291207373469
Energy: 0.2789363987096582
Energy: 0.31736080469364414
Energy: 0.2876674673328569
Energy: 0.29857507260253086
Energy: 0.3172918415946584
Energy: 0.2562342042628994
Energy: 0.31659456570062644
Energy: 0.2742165963985976
Energy: 0.2381826578058971
Energy: 0.2388933185814139
Energy: 0.2804720948039371
Energy: 0.23528295747275532
Energy: 0.2399840951270951
Energy: 0.4219832620099074
Energy: 0.30216725004685163
Energy: 0.31158923401743344
Energy: 0.3548252951768838
Energy: 0.31048039138337413
Energy: 0.30190074480187745
Energy: 0.21738737776188724
Energy: 0.2991941753982186
Energy: 0.2963380109266612
Energy: 0.21753934001921915
Energy: 0.35699507557343335
Energy: 0.23152141914948973
Energy: 0.22578502988783547
Energy: 0.3016774685275484
Energy: 0.2999482346659115
Energy: 0.22608852195582488
Energy: 0.38006577929485813
Energy: 0.22628746765510552
Energy: 0.3793203689241305
Energy: 0.3033377158741625
Energy: 0.30053810087777216
Energy: 0.3796336478842769
Energy: 0.2877151393300879
Energy: 0.3004663076692276
Energy: 0.2920697076991617
Energy: 0.22949950999273686
Energy: 0.2311171172618179
Energy: 0.2980716296735348
Energy: 0.22650438017315044
Energy: 0.23239607531337714
Energy: 0.34640972647503226
Energy: 0.3012325026609394
Energy: 0.30518431709537813
Energy: 0.349959272365255
Energy: 0.2637554335015436
Energy: 0.3032280777585889
Energy: 0.25094985329801883
Energy: 0.3046418651087188
Energy: 0.3014085247558215
Energy: 0.2516935799664375
Energy: 0.2999189822219729
Energy: 0.24489654937959712
Energy: 0.232945898943708
Energy: 0.29174769193222483
Energy: 0.289431351174544
Energy: 0.2337654309605401
Energy: 0.326692281568729
Energy: 0.2397750616671616
Energy: 0.3937475309788274
Energy: 0.32155987053481644
Energy: 0.3230404388829698
Energy: 0.4434278227673847
Energy: 0.3577267570761392
Energy: 0.299957811458722
Energy: 0.2581952318404185
Energy: 0.2376893491729523
Energy: 0.24010477350732826
Energy: 0.2578977265068708
Energy: 0.23623638863693577
Energy: 0.2286903651962266
Energy: 0.3348376669912106
Energy: 0.2900386041901829
Energy: 0.2898600775648234
Energy: 0.3415432471961697
Energy: 0.29730502024312105
Energy: 0.32105805841741725
Energy: 0.3013148818704591
Energy: 0.30758287588657574
Energy: 0.31025513857649656
Energy: 0.3001780696594337
Energy: 0.32801826769892084
Energy: 0.275776742489895
Energy: 0.2537179701113052
Energy: 0.2444541120833817
Energy: 0.2466004825235454
Energy: 0.24735551226992505
Energy: 0.2430445655065765
Energy: 0.28534346399956884

minimum gb energy = 0.21738737776188724 eV
minimum distance =  2.55631784217404 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.5059685070594554
Energy: 0.4068176472847433
Energy: 0.40604457615643125
Energy: 0.5047444036960852
Energy: 0.5180543181766677
Energy: 0.3590038787378658
Energy: 0.2748091529528905
Energy: 0.2873545977708569
Energy: 0.28477289204674044
Energy: 0.3055111158495448
Energy: 0.27748387658335305
Energy: 0.284664358032018
Energy: 0.31585214609719015
Energy: 0.31565277251322055
Energy: 0.31584027248007474
Energy: 0.37570949677282156
Energy: 0.32999408879791026
Energy: 0.27186845029443735
Energy: 0.3084816674992139
Energy: 0.31558489326969263
Energy: 0.31607967654368874
Energy: 0.30940754401620385
Energy: 0.27316018441696455
Energy: 0.3316717001921513
Energy: 0.2879523485298435
Energy: 0.2865095103088121
Energy: 0.28812564537045
Energy: 0.2880584692288709
Energy: 0.27317149583293243
Energy: 0.28474693852714117
Energy: 0.4627522736401491
Energy: 0.3389772327487175
Energy: 0.3172173540887404
Energy: 0.4604910717482092
Energy: 0.3429536872771986
Energy: 0.3428135338402735
Energy: 0.2548282415148099
Energy: 0.31835925952650235
Energy: 0.32038125882454827
Energy: 0.25538306160941554
Energy: 0.3292348413958111
Energy: 0.2601923716589209
Energy: 0.28247362827101224
Energy: 0.34653571632975844
Energy: 0.3448063260995383
Energy: 0.28248563273501215
Energy: 0.34671310079073697
Energy: 0.3047251753532541
Energy: 0.36415541866105855
Energy: 0.3295926107851748
Energy: 0.3366160271268298
Energy: 0.38016426901919065
Energy: 0.2956653982063217
Energy: 0.3366268789354126
Energy: 0.32108018402387656
Energy: 0.26101839981388775
Energy: 0.2799506659690278
Energy: 0.3216888542415173
Energy: 0.25388081555233827
Energy: 0.2799052388707736
Energy: 0.3970743076793383
Energy: 0.3308316032953407
Energy: 0.3319364235836439
Energy: 0.3965601318724169
Energy: 0.33031473466234423
Energy: 0.33143529682791817
Energy: 0.25362295211635844
Energy: 0.3319659274550727
Energy: 0.3322908110540293
Energy: 0.2537021706965078
Energy: 0.3762834146060418
Energy: 0.25323939337241475
Energy: 0.2512329507101084
Energy: 0.3285700495497275
Energy: 0.3257254731923201
Energy: 0.25074802093694004
Energy: 0.3726567348056139
Energy: 0.2550911419770702
Energy: 0.4185657440867206
Energy: 0.3552796765866973
Energy: 0.3438048936241422
Energy: 0.4172711890730831
Energy: 0.37421024476693543
Energy: 0.33698155208228675
Energy: 0.3024158628578801
Energy: 0.2748664874339823
Energy: 0.272914787405876
Energy: 0.30254143471003625
Energy: 0.26231713487047054
Energy: 0.2735555964573559
Energy: 0.33426982692332785
Energy: 0.34412313097146063
Energy: 0.34402524018922925
Energy: 0.330432149354647
Energy: 0.2854538068314649
Energy: 0.3292019576400238
Energy: 0.30183885649876824
Energy: 0.34410513759612166
Energy: 0.34867828033544984
Energy: 0.36116788649756315
Energy: 0.344364285739988
Energy: 0.34501629228653846
Energy: 0.2732873257036801
Energy: 0.27233594581977366
Energy: 0.27200164157854145
Energy: 0.2737238027162829
Energy: 0.27120312038509653
Energy: 0.2681915973752908
Energy: 0.5064645878931873
Energy: 0.3138897575241628
Energy: 0.3665121873622147
Energy: 0.5053310278794566
Energy: 0.31354874581525694
Energy: 0.3446990395666118
Energy: 0.2748560454047084
Energy: 0.28537735289236765
Energy: 0.28620057692481765
Energy: 0.27496859336319646
Energy: 0.27315877920088494
Energy: 0.2849373933751049
Energy: 0.3032803585385154
Energy: 0.31563685003001174
Energy: 0.315971339877966
Energy: 0.37498133324650773
Energy: 0.2726477661685119
Energy: 0.2712068366659289
Energy: 0.3102911771481978
Energy: 0.31574953302769754
Energy: 0.3159632053895771
Energy: 0.311229216981102
Energy: 0.2739963142061466
Energy: 0.38273336740458813
Energy: 0.2880967994646917
Energy: 0.2869099500006421
Energy: 0.2880210315951566
Energy: 0.2880407371787057
Energy: 0.2730303234000315
Energy: 0.28468563949097064
Energy: 0.46181077005768745
Energy: 0.3679999524917632
Energy: 0.3493572392909228
Energy: 0.46080225740407504
Energy: 0.39791252048712034
Energy: 0.3426278097901197
Energy: 0.2588671492103012
Energy: 0.32954834109287595
Energy: 0.3199064198278971
Energy: 0.2591545767397788
Energy: 0.32888402069292
Energy: 0.2601437260665648
Energy: 0.26244729175790366
Energy: 0.3463581741638143
Energy: 0.3171923086626284
Energy: 0.26202336435690665
Energy: 0.3464170422516811
Energy: 0.27252510633542315
Energy: 0.3511956166719071
Energy: 0.3473316681081946
Energy: 0.3475731642683525
Energy: 0.36585356958295784
Energy: 0.29579629038050687
Energy: 0.3477001378741008
Energy: 0.3298134231970857
Energy: 0.2808154216415933
Energy: 0.27965769202918467
Energy: 0.3306579761595844
Energy: 0.2544407808297125
Energy: 0.279593426564363
Energy: 0.3966168209457076
Energy: 0.32052622960437793
Energy: 0.33293484883252805
Energy: 0.39571515793425943
Energy: 0.3216087222156964
Energy: 0.3315606507915981
Energy: 0.2536109940719633
Energy: 0.33158976294185577
Energy: 0.33317669877055
Energy: 0.2537360238709617
Energy: 0.3754154932469189
Energy: 0.2530485902590829
Energy: 0.25140445415463114
Energy: 0.32824400201476667
Energy: 0.2548516527603107
Energy: 0.25103003677292474
Energy: 0.35799878047833267
Energy: 0.2668768166696072
Energy: 0.37063939941243573
Energy: 0.3493054674173304
Energy: 0.3493849229683514
Energy: 0.4187346576428278
Energy: 0.3697700075774549
Energy: 0.34354221294370246
Energy: 0.3024953471012387
Energy: 0.2624898822333905
Energy: 0.2740051514624874
Energy: 0.3023585707790851
Energy: 0.2626770071403642
Energy: 0.2728874802610756
Energy: 0.31662355745853427
Energy: 0.28578087235349797
Energy: 0.3505803353255974
Energy: 0.3167525487497046
Energy: 0.28657887692973044
Energy: 0.32911575242405045
Energy: 0.33494081062933195
Energy: 0.3444601058290979
Energy: 0.34489766450283876
Energy: 0.31652413635544674
Energy: 0.4181068378296428
Energy: 0.3448900803506979
Energy: 0.27388897476014434
Energy: 0.28927062290162614
Energy: 0.27161501427377044
Energy: 0.2743661531228159
Energy: 0.28802807727251
Energy: 0.30524831468279645
Energy: 0.5079891392934289
Energy: 0.3124713411123916
Energy: 0.3544012763007533
Energy: 0.506627656720785
Energy: 0.31332041845378067
Energy: 0.34477227823736134

minimum gb energy = 0.25074802093694004 eV
minimum distance =  2.56967716671513 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.46361818240915087
Energy: 0.4328432655484253
Energy: 0.4334053072416773
Energy: 0.4626358143914778
Energy: 0.4368238376212038
Energy: 0.4335486311746991
Energy: 0.34728076153676923
Energy: 0.39787502049496537
Energy: 0.39767064705916916
Energy: 0.3721339786376895
Energy: 0.39767352551327034
Energy: 0.3967616743178892
Energy: 0.3848077986802351
Energy: 0.38540405255088755
Energy: 0.3595807247080162
Energy: 0.3859769663256712
Energy: 0.38557836980050775
Energy: 0.35884098981941803
Energy: 0.385694795984262
Energy: 0.4007098585274896
Energy: 0.40044654830823945
Energy: 0.38637477616950205
Energy: 0.38229084834825144
Energy: 0.3734216916811218
Energy: 0.3857732702561957
Energy: 0.38088915174207333
Energy: 0.38191610630810946
Energy: 0.3857616947556038
Energy: 0.37385011184066946
Energy: 0.380805836995742
Energy: 0.42560324824572193
Energy: 0.41269804027174933
Energy: 0.4054088355705198
Energy: 0.4250137734121096
Energy: 0.4129916547952124
Energy: 0.4030467247699383
Energy: 0.36007840397238733
Energy: 0.3858715364425615
Energy: 0.36046530471163596
Energy: 0.360946416309465
Energy: 0.3709150616474184
Energy: 0.3138999200978693
Energy: 0.3161480487271184
Energy: 0.38642669071601765
Energy: 0.35535292449439637
Energy: 0.31662061315792134
Energy: 0.4278414180315436
Energy: 0.3303304283769837
Energy: 0.4081954498754083
Energy: 0.3903452495641535
Energy: 0.3888692400049827
Energy: 0.3907765497109105
Energy: 0.3956543424042791
Energy: 0.3885443973780906
Energy: 0.4068241293624776
Energy: 0.3099278776853669
Energy: 0.31542372635746546
Energy: 0.4072410960642386
Energy: 0.30886219664301795
Energy: 0.31439320736261145
Energy: 0.3718065224440811
Energy: 0.3456026169160351
Energy: 0.35653029107004075
Energy: 0.37263642316848716
Energy: 0.38627121669420567
Energy: 0.387210953612969
Energy: 0.37243145928634575
Energy: 0.3867734767640474
Energy: 0.3868433588426521
Energy: 0.37132878474911407
Energy: 0.46468191694997957
Energy: 0.369482246839615
Energy: 0.34939158172787615
Energy: 0.38060421502631037
Energy: 0.3777538325361264
Energy: 0.3501440160265895
Energy: 0.38554296109149877
Energy: 0.36053046762444746
Energy: 0.4664504611089685
Energy: 0.37749430649000115
Energy: 0.41457858218529137
Energy: 0.4649852065098399
Energy: 0.37756877162834496
Energy: 0.4112853385168633

minimum gb energy = 0.30886219664301795 eV
minimum distance =  2.59727733546913 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.5437352824644881
Energy: 0.511801657421212
Energy: 0.4820712515608252
Energy: 0.5413268796161467
Energy: 0.5050300905894103
Energy: 0.46858887901207874
Energy: 0.43699484786679055
Energy: 0.44176728815600896
Energy: 0.4218206130311486
Energy: 0.43727277638573414
Energy: 0.44180295161962896
Energy: 0.4284461653650486
Energy: 0.46415769185543676
Energy: 0.44369345510263064
Energy: 0.42919116177673666
Energy: 0.46374572899292
Energy: 0.4631062916190407
Energy: 0.44296373034954245
Energy: 0.45592787192456297
Energy: 0.44179114553974813
Energy: 0.4347081554296615
Energy: 0.4524254696653528
Energy: 0.46116959166046684
Energy: 0.4428481707450123
Energy: 0.4552887081109845
Energy: 0.3779521849111135
Energy: 0.38118668693302454
Energy: 0.45527609750373343
Energy: 0.37063321958753626
Energy: 0.38477076262797383
Energy: 0.44997212515712803
Energy: 0.41812386260317347
Energy: 0.43745215635897144
Energy: 0.450211404420576
Energy: 0.42711866880610333
Energy: 0.4243726887172857
Energy: 0.4167905648511661
Energy: 0.46190302888206836
Energy: 0.42632025577465343
Energy: 0.4164443313644623
Energy: 0.4470208124234907
Energy: 0.43165840398300953
Energy: 0.37039403815964445
Energy: 0.4344675271155446
Energy: 0.3789273779231067
Energy: 0.36983105262907734
Energy: 0.452689363590532
Energy: 0.38006145295363397
Energy: 0.4970319037097545
Energy: 0.442952316071692
Energy: 0.44296916167942657
Energy: 0.5296334341566934
Energy: 0.44437711868262514
Energy: 0.4479250539762736
Energy: 0.5438575045837776
Energy: 0.453339110315886
Energy: 0.4405099359403091
Energy: 0.49998810063965415
Energy: 0.4649476317991877
Energy: 0.4479534768084311
Energy: 0.44813230478013
Energy: 0.41479517919595627
Energy: 0.4188373204068645
Energy: 0.4387320819526785
Energy: 0.4372936024792815
Energy: 0.4048635477971166
Energy: 0.42941058646502517
Energy: 0.4597616088044003
Energy: 0.4612798846152483
Energy: 0.4294881355251124
Energy: 0.5179407021902298
Energy: 0.46539371468511226
Energy: 0.4505012845367463
Energy: 0.43283821572850334
Energy: 0.42793265185092705
Energy: 0.44904822917009285
Energy: 0.4515381540421806
Energy: 0.44518850612013805
Energy: 0.4742072355339402
Energy: 0.430628678127847
Energy: 0.4269487490162698
Energy: 0.47174463392045946
Energy: 0.4489771168922241
Energy: 0.42695083686837093
Energy: 0.4183606595618153
Energy: 0.44174282769477
Energy: 0.44332105997250804
Energy: 0.41850891677741636
Energy: 0.4420819189339305
Energy: 0.4417642356561501
Energy: 0.36619727711159933
Energy: 0.3868527812566304
Energy: 0.3701842402293857
Energy: 0.3673634907377457
Energy: 0.42633825043976603
Energy: 0.37789916782616884
Energy: 0.4347280222406297
Energy: 0.4315423041869001
Energy: 0.431498522856407
Energy: 0.4346423284230718
Energy: 0.4576814558671734
Energy: 0.43353304053161085
Energy: 0.4504138293489265
Energy: 0.4229130926565965
Energy: 0.4118174469323897
Energy: 0.4509445873332234
Energy: 0.4317549940379075
Energy: 0.4096266480504634
Energy: 0.45612340739626916
Energy: 0.39872981691322623
Energy: 0.3982900061782777
Energy: 0.4539823694504401
Energy: 0.4050676322027285
Energy: 0.39859060539502394
Energy: 0.44452033001981545
Energy: 0.4502937495647454
Energy: 0.45037920998830466
Energy: 0.4394694839604706
Energy: 0.4496110893017132
Energy: 0.4366209338707962
Energy: 0.45489576274351956
Energy: 0.4500670592457627
Energy: 0.4318202101471534
Energy: 0.4558646436738038
Energy: 0.44465807320547307
Energy: 0.43319657078941864
Energy: 0.4325567122233528
Energy: 0.4359244446995744
Energy: 0.4334192111766861
Energy: 0.43311720535709325
Energy: 0.45566404694562873
Energy: 0.4024668126374251
Energy: 0.5215462011012286
Energy: 0.43334573868330195
Energy: 0.44031663755361883
Energy: 0.5193667183193463
Energy: 0.43516053586331155
Energy: 0.4402849585643851
Energy: 0.40951444817303456
Energy: 0.45014994103728606
Energy: 0.4050970296963148
Energy: 0.4086320538935871
Energy: 0.45800721142422435
Energy: 0.3985527439940845
Energy: 0.4100817497621256
Energy: 0.4626304912298863
Energy: 0.40108624358924994
Energy: 0.4089190115358389
Energy: 0.4488263432689222
Energy: 0.4009250545761585
Energy: 0.4504739905660099
Energy: 0.45300918754602
Energy: 0.42982511584947
Energy: 0.4605724895827004
Energy: 0.432575424170874
Energy: 0.4313872564286464
Energy: 0.4694091392079539
Energy: 0.3553424983820037
Energy: 0.3732493470862874
Energy: 0.47007052373858127
Energy: 0.3670174843740828
Energy: 0.38453345067245187
Energy: 0.4635945734944305
Energy: 0.44925950404723436
Energy: 0.45270855115658376
Energy: 0.4670703305827902
Energy: 0.43432708925307295
Energy: 0.44190417763786727
Energy: 0.4516831888427051
Energy: 0.4344958071306946
Energy: 0.4206654334341301
Energy: 0.45107306378043144
Energy: 0.4520269299840584
Energy: 0.405448498684279
Energy: 0.43500955965006183
Energy: 0.43893060522599414
Energy: 0.4283349436700668
Energy: 0.4396981542172686
Energy: 0.4485835528657136
Energy: 0.4275616661847504
Energy: 0.5454208693199376
Energy: 0.42005685361487727
Energy: 0.4320968483663464
Energy: 0.5427058967764492
Energy: 0.42372970053931336
Energy: 0.43200910284050154

minimum gb energy = 0.3553424983820037 eV
minimum distance =  2.52959037549092 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.45567336948280057
Energy: 0.42542920181131183
Energy: 0.4273413416563965
Energy: 0.4536115737761001
Energy: 0.4502296360812314
Energy: 0.42625952372669207
Energy: 0.44449074734534766
Energy: 0.44380448603390443
Energy: 0.4420158351995183
Energy: 0.4805428808897105
Energy: 0.46302970023674367
Energy: 0.44153586726500915
Energy: 0.45821622633854564
Energy: 0.39159461454740524
Energy: 0.39215917943021794
Energy: 0.4584046562176593
Energy: 0.4568430727311433
Energy: 0.4323533677252744
Energy: 0.45137254790213543
Energy: 0.4422286496261302
Energy: 0.4358819069225385
Energy: 0.451940968836154
Energy: 0.4444502172561441
Energy: 0.4355774904960538
Energy: 0.46084099652252275
Energy: 0.39944916077930276
Energy: 0.41332037780573705
Energy: 0.46089403443015176
Energy: 0.4488162610550747
Energy: 0.4121282782483614
Energy: 0.4578243918723598
Energy: 0.4374541212893869
Energy: 0.4115712782886006
Energy: 0.4572604581583244
Energy: 0.4403409839352453
Energy: 0.42896435911748004
Energy: 0.43980729278692654
Energy: 0.47946805622158045
Energy: 0.42401547844563797
Energy: 0.4405524956466045
Energy: 0.45781004983903795
Energy: 0.4383775446657502
Energy: 0.47302666726488596
Energy: 0.4588452258045973
Energy: 0.413223413841235
Energy: 0.4738166775332417
Energy: 0.4591837183696895
Energy: 0.41300300616749847
Energy: 0.454857415651475
Energy: 0.4401812588634998
Energy: 0.4269107873043887
Energy: 0.45299459661518054
Energy: 0.4386719621995772
Energy: 0.42424795252272113
Energy: 0.5159608469283533
Energy: 0.43978799513543787
Energy: 0.4276824686990991
Energy: 0.45280952515379347
Energy: 0.4631071485777122
Energy: 0.42416742666374235
Energy: 0.4803297765587147
Energy: 0.44172787033177807
Energy: 0.43739098335060334
Energy: 0.48097649265202785
Energy: 0.4415599747271159
Energy: 0.4359697856883828
Energy: 0.4351521575895038
Energy: 0.45535223298993854
Energy: 0.42652727775538896
Energy: 0.4347587948025149
Energy: 0.45547592538712817
Energy: 0.4303541479671952
Energy: 0.45332093240780474
Energy: 0.4361638603907088
Energy: 0.41526972858657024
Energy: 0.4529466339133797
Energy: 0.44512439691448646
Energy: 0.4355343346703702
Energy: 0.45782288149409045
Energy: 0.39680544226076747
Energy: 0.4105969250233185
Energy: 0.45729373707855986
Energy: 0.4491196560826079
Energy: 0.4108858066844695
Energy: 0.4602552257992841
Energy: 0.4250242173227672
Energy: 0.42960742908154176
Energy: 0.4606929587775102
Energy: 0.4417700320450779
Energy: 0.4291986275816906
Energy: 0.4480954435792718
Energy: 0.4678403481713066
Energy: 0.46742739114136145
Energy: 0.4489624233878723
Energy: 0.45756942851032867
Energy: 0.40995714743444245
Energy: 0.44589832119388567
Energy: 0.443418531792744
Energy: 0.4420544965858145
Energy: 0.4458462598728956
Energy: 0.4422806415304541
Energy: 0.44159311189154793

minimum gb energy = 0.39159461454740524 eV
minimum distance =  2.53946908900171 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.5678113504508181
Energy: 0.5637795221243855
Energy: 0.5081262387973776
Energy: 0.5654239207673635
Energy: 0.686993855902541
Energy: 0.46986286320619536
Energy: 0.4687383756230346
Energy: 0.43702433688804593
Energy: 0.4330145354862605
Energy: 0.4760333987720715
Energy: 0.45396477853868283
Energy: 0.4500789013731315
Energy: 0.4799001418579304
Energy: 0.4562044063456969
Energy: 0.4309188438475986
Energy: 0.48015728041136274
Energy: 0.4430640648888597
Energy: 0.4336526643839552
Energy: 0.4363603691651816
Energy: 0.438269401971556
Energy: 0.44726988130251877
Energy: 0.43364865657631235
Energy: 0.47194578920029406
Energy: 0.4468693382294911
Energy: 0.4508886937952677
Energy: 0.4207990064221318
Energy: 0.4253007426588373
Energy: 0.45209081540939666
Energy: 0.42522009733481186
Energy: 0.4443663872692738
Energy: 0.45971596816696925
Energy: 0.44112476461126227
Energy: 0.44113269368291796
Energy: 0.46060367051249695
Energy: 0.4550731263945148
Energy: 0.4417670938734413
Energy: 0.44288906186565824
Energy: 0.4614045012912574
Energy: 0.43382535820678436
Energy: 0.4429340277250849
Energy: 0.4385043963553741
Energy: 0.43381300712470783
Energy: 0.46130668896864996
Energy: 0.4457407859228679
Energy: 0.44079049296544315
Energy: 0.46250187273825744
Energy: 0.46771375883103067
Energy: 0.4438479345598609
Energy: 0.46204168577785626
Energy: 0.4428373730410731
Energy: 0.4335652231215482
Energy: 0.507143349603698
Energy: 0.4571260760118648
Energy: 0.4322705598450874
Energy: 0.49928854699746883
Energy: 0.4405823074525834
Energy: 0.4381593483470967
Energy: 0.47242277911870023
Energy: 0.4412386440190201
Energy: 0.4416129882345227
Energy: 0.44524952066688933
Energy: 0.4661657078175295
Energy: 0.45266018909741906
Energy: 0.44418234427658193
Energy: 0.4605642752155981
Energy: 0.44707899897254894
Energy: 0.4295911779062554
Energy: 0.45723523035217345
Energy: 0.45706462334029957
Energy: 0.44223152248882314
Energy: 0.4480127002227711
Energy: 0.43290177601545604
Energy: 0.44015172981060274
Energy: 0.43084937628697534
Energy: 0.4333879489144375
Energy: 0.43984795666484955
Energy: 0.4380445505329359
Energy: 0.42691325527591095
Energy: 0.5077941571121001
Energy: 0.44942753649434897
Energy: 0.43626921380902633
Energy: 0.5084939076244939
Energy: 0.4667488138932973
Energy: 0.44178167078183744
Energy: 0.43836257192614686
Energy: 0.44129940921619665
Energy: 0.4431734592538462
Energy: 0.4392675460372304
Energy: 0.46703553522961144
Energy: 0.42545171845353263
Energy: 0.4607387349725475
Energy: 0.4667535578024417
Energy: 0.4326830583146023
Energy: 0.46024101812229185
Energy: 0.5109673998847426
Energy: 0.433249768401711
Energy: 0.4948346503345384
Energy: 0.44737838000626046
Energy: 0.44686267323073525
Energy: 0.4958415371628749
Energy: 0.455908508255394
Energy: 0.4389170212001733
Energy: 0.4411268735322555
Energy: 0.4282786453703267
Energy: 0.4288310500183532
Energy: 0.44171708750925015
Energy: 0.433572325530165
Energy: 0.4526627805351807
Energy: 0.43100662101539355
Energy: 0.44336410275706745
Energy: 0.44075847548683494
Energy: 0.4416515589277784
Energy: 0.4562975818533741
Energy: 0.42996348942810453
Energy: 0.46522220003558135
Energy: 0.4409584060999428
Energy: 0.4429645866436503
Energy: 0.45667089417168616
Energy: 0.44786542206400115
Energy: 0.4412105691970732
Energy: 0.46078986788147785
Energy: 0.4339111183405732
Energy: 0.44074881503201135
Energy: 0.4662081339984125
Energy: 0.4335091287183952
Energy: 0.4317563123010471

minimum gb energy = 0.4207990064221318 eV
minimum distance =  2.499225015709 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.481072247004281
Energy: 0.44047296902257654
Energy: 0.48833022838414564
Energy: 0.4727465994997104
Energy: 0.6164261768087876
Energy: 0.4834801807371543
Energy: 0.4149316272791517
Energy: 0.42969954013287665
Energy: 0.4326797211092049
Energy: 0.4643773466985419
Energy: 0.44777256588486336
Energy: 0.4417584331869619
Energy: 0.434152981194131
Energy: 0.4301410339418512
Energy: 0.43371531226391324
Energy: 0.4331322024777137
Energy: 0.40841876077050515
Energy: 0.44353920363050786
Energy: 0.4431743306538115
Energy: 0.4239793858738522
Energy: 0.4252285043601426
Energy: 0.4365267460219226
Energy: 0.43813153390594806
Energy: 0.42780485386263944
Energy: 0.41501908116102276
Energy: 0.41954502672086896
Energy: 0.4664144449528904
Energy: 0.4154598248055253
Energy: 0.44978906779247957
Energy: 0.45653298741115345
Energy: 0.4387316158738079
Energy: 0.4275662936568786
Energy: 0.4164306137300849
Energy: 0.43674366489589717
Energy: 0.4270028116990351
Energy: 0.42905868187849133
Energy: 0.4519409611796277
Energy: 0.40731876269039996
Energy: 0.41676118392813655
Energy: 0.4531191831481621
Energy: 0.3986715978339398
Energy: 0.409407351402641
Energy: 0.4527062468971979
Energy: 0.386568831835482
Energy: 0.4042103022442526
Energy: 0.4537223100683906
Energy: 0.3960851909856982
Energy: 0.4243377966542442
Energy: 0.46517627233609626
Energy: 0.43093378591925574
Energy: 0.4097840969043147
Energy: 0.42858141652531023
Energy: 0.42465778353766653
Energy: 0.42491333748430693
Energy: 0.42224238363681615
Energy: 0.3891147008632958
Energy: 0.41835694470680906
Energy: 0.3944972044554857
Energy: 0.3867971955439582
Energy: 0.4058849601394617
Energy: 0.46072273115562407
Energy: 0.4994143795067958
Energy: 0.4686453193482575
Energy: 0.4615006961998995
Energy: 0.4182175033186764
Energy: 0.3954490922640591
Energy: 0.3880047321898845
Energy: 0.3758161719679319
Energy: 0.352256565686185
Energy: 0.38941311785224075
Energy: 0.36722037935934987
Energy: 0.35409228308600627
Energy: 0.35639603789604934
Energy: 0.3640491848584739
Energy: 0.3532079404605225
Energy: 0.35587529275188273
Energy: 0.37152920850170107
Energy: 0.35466714198529287
Energy: 0.37871476319439196
Energy: 0.3553037146347275
Energy: 0.3571365659414739
Energy: 0.3791134015690021
Energy: 0.40681641827996295
Energy: 0.3525080480369507
Energy: 0.37386444798527646
Energy: 0.3697279254835977
Energy: 0.3653388893965323
Energy: 0.37201988007954595
Energy: 0.3597888123435008
Energy: 0.36819734540311844
Energy: 0.41286049563373195
Energy: 0.42466390193354475
Energy: 0.39880449200134094
Energy: 0.4152714077118206
Energy: 0.4424084794924178
Energy: 0.4085515381615741
Energy: 0.4203283137043246
Energy: 0.40341761439753715
Energy: 0.4253896853636754
Energy: 0.42076557011958376
Energy: 0.42103921719785803
Energy: 0.36092784088731233
Energy: 0.4246167581978091
Energy: 0.4081259121201836
Energy: 0.4122395113043204
Energy: 0.42577584957891057
Energy: 0.4282539428987917
Energy: 0.42358778603562963
Energy: 0.4445901201050931
Energy: 0.4019273292597129
Energy: 0.405696641718204
Energy: 0.4279177910079157
Energy: 0.40365335051956885
Energy: 0.4053704642329089
Energy: 0.4590301588386908
Energy: 0.41639136243338204
Energy: 0.40444562710868065
Energy: 0.4598602630283605
Energy: 0.396957818280141
Energy: 0.4051482546787546
Energy: 0.4349151517579721
Energy: 0.42027027267316236
Energy: 0.4510673981690992
Energy: 0.43676850776535253
Energy: 0.4257477544347169
Energy: 0.43221965606576823
Energy: 0.40751450464022093
Energy: 0.45153570434435336
Energy: 0.45548545351324266
Energy: 0.40807671490156516
Energy: 0.44850631735379026
Energy: 0.4600112976484222
Energy: 0.46363518953261423
Energy: 0.42551371062024246
Energy: 0.440034801216882
Energy: 0.4642617317385357
Energy: 0.44169790692569116
Energy: 0.43892289439581345
Energy: 0.4439810092472278
Energy: 0.42801784050151953
Energy: 0.43674134009696575
Energy: 0.4387124989986647
Energy: 0.4272577177324468
Energy: 0.43255578303047126
Energy: 0.4356843914697582
Energy: 0.4102214569661773
Energy: 0.41125635621447115
Energy: 0.4851884450728646
Energy: 0.40979289809489655
Energy: 0.41689113730385385

minimum gb energy = 0.352256565686185 eV
minimum distance =  2.54364954456681 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 0.6185806067502813
Energy: 0.618613192780299
Energy: 0.579295044867959
Energy: 0.5967004194751633
Energy: 0.7709090724747303
Energy: 0.6324724374315963
Energy: 0.41654996771575287
Energy: 0.40623712531062234
Energy: 0.41168084502082536
Energy: 0.4509730686664829
Energy: 0.42771031251160924
Energy: 0.3860360422498749
Energy: 0.40595848650983624
Energy: 0.4400174277479047
Energy: 0.4057379326484215
Energy: 0.405442376099637
Energy: 0.4406037588343385
Energy: 0.40378877020157294
Energy: 0.40117495539845066
Energy: 0.3983622161140501
Energy: 0.4007601530370616
Energy: 0.38948265817356287
Energy: 0.373263666908955
Energy: 0.3969696132467972
Energy: 0.3849037507515282
Energy: 0.4202754718689484
Energy: 0.4321377710712942
Energy: 0.38598356945101214
Energy: 0.44026589057298265
Energy: 0.4396845222081299
Energy: 0.39254027918937756
Energy: 0.40634948992418357
Energy: 0.3846330224025411
Energy: 0.3930663548391769
Energy: 0.42420429219268396
Energy: 0.38876926957489016
Energy: 0.46168418752325696
Energy: 0.6086723256462127
Energy: 0.5702248719655928
Energy: 0.4537227801171905
Energy: 0.6592598807168033
Energy: 0.4596689080920608
Energy: 0.42382673491269424
Energy: 0.37335756420725924
Energy: 0.39240406728105465
Energy: 0.4242690200654185
Energy: 0.40307229911660347
Energy: 0.40300848989105004
Energy: 0.3838772496830607
Energy: 0.387434589842714
Energy: 0.4330050819988173
Energy: 0.3846159139931814
Energy: 0.3933159104229334
Energy: 0.3858715742715039
Energy: 0.4149809247037518
Energy: 0.3623644437940733
Energy: 0.3664574801286847
Energy: 0.4164743640433533
Energy: 0.39202911013100045
Energy: 0.3828035068664361
Energy: 0.4464517181315583
Energy: 0.4869171752547444
Energy: 0.4824051815181796
Energy: 0.4407083333814908
Energy: 0.48861081859802213
Energy: 0.45743083829644965
Energy: 0.41071328582472605
Energy: 0.3944013782140459
Energy: 0.3823304340335508
Energy: 0.41058005131302705
Energy: 0.38948211863083787
Energy: 0.3823025850229015
Energy: 0.5557679086545145
Energy: 0.40280061177026216
Energy: 0.39627714272658215
Energy: 0.5535780675647531
Energy: 0.4006779359877419
Energy: 0.4183391572139978
Energy: 0.46234500298671233
Energy: 0.4168850900242734
Energy: 0.414828763660041
Energy: 0.42477409671043115
Energy: 0.40979629298689246
Energy: 0.4095309975112299
Energy: 0.38941923613233576
Energy: 0.37152568442933676
Energy: 0.408762032054054
Energy: 0.3889716197552164
Energy: 0.3719122755543162
Energy: 0.39256772869766204
Energy: 0.3926027270374095
Energy: 0.3787877045572143
Energy: 0.37851013191733623
Energy: 0.38751793683191116
Energy: 0.3860930118306897
Energy: 0.3841043437930589
Energy: 0.4996352129469798
Energy: 0.39532981164220143
Energy: 0.3987697050378003
Energy: 0.4972971999433757
Energy: 0.39315560289282747
Energy: 0.3985846972924298
Energy: 0.4314156153169795
Energy: 0.383411519871368
Energy: 0.38705641084245274
Energy: 0.43324979399558367
Energy: 0.4063763821430377
Energy: 0.37842991773530166
Energy: 0.39736868562894084
Energy: 0.3876925346032082
Energy: 0.39678563881043705
Energy: 0.3973345441015019
Energy: 0.39257961790921947
Energy: 0.38710499406286486
Energy: 0.413504185738253
Energy: 0.3839588011796558
Energy: 0.3843446607033602
Energy: 0.4112345878858351
Energy: 0.38724740940198726
Energy: 0.3965347030176011
Energy: 0.370281599825366
Energy: 0.38602092703585567
Energy: 0.3844800610324082
Energy: 0.37109804934179824
Energy: 0.3847550594093614
Energy: 0.3855709276126479
Energy: 0.3727187376511692
Energy: 0.3660427920079486
Energy: 0.36641301231079154
Energy: 0.3711233992059811
Energy: 0.38350338092668396
Energy: 0.3706114769688007
Energy: 0.39882075832189384
Energy: 0.38620809341329676
Energy: 0.39881758489756797
Energy: 0.39710934923158214
Energy: 0.4662263213325933
Energy: 0.39054656660865
Energy: 0.412939173055327
Energy: 0.39029465547024267
Energy: 0.40074778788567117
Energy: 0.41276183947309725
Energy: 0.40516238788095843
Energy: 0.4309011543751663
Energy: 0.4182817442225385
Energy: 0.37399291787283373
Energy: 0.3931911347273559
Energy: 0.41638679800502804
Energy: 0.4054589228676472
Energy: 0.3726514068497388
Energy: 0.4556773808949913
Energy: 0.3828421125929895
Energy: 0.3842593311737832
Energy: 0.4549467439589843
Energy: 0.3875108447509965
Energy: 0.38447975447795335
Energy: 0.40295297304801925
Energy: 0.396574382996275
Energy: 0.38043212181283853
Energy: 0.3975829767367428
Energy: 0.3994466476105893
Energy: 0.3777381495964369
Energy: 0.40081573673536147
Energy: 0.4169595648749692
Energy: 0.4105112524297099
Energy: 0.3958537784336016
Energy: 0.3813863414986479
Energy: 0.38215630623483643
Energy: 0.42773256356389616
Energy: 0.4005429365130995
Energy: 0.4016256032205924
Energy: 0.42617371005610605
Energy: 0.40046078909457455
Energy: 0.3900443332029777

minimum gb energy = 0.3623644437940733 eV
minimum distance =  2.52266035902122 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.5786457061248033
Energy: 0.6296999990558766
Energy: 0.62945455431256
Energy: 0.5729939656759657
Energy: 0.7249903876354999
Energy: 0.5440217921606693
Energy: 0.3823518309831616
Energy: 0.3838519088613563
Energy: 0.3989161091324099
Energy: 0.3789308329137514
Energy: 0.42394481830172215
Energy: 0.37311024196500553
Energy: 0.3912295413745371
Energy: 0.4651997674297568
Energy: 0.45107654506429223
Energy: 0.382831571335512
Energy: 0.47606367403329874
Energy: 0.3733325439931967
Energy: 0.3785156354857878
Energy: 0.38556649765052314
Energy: 0.3857966976195006
Energy: 0.3765297909612667
Energy: 0.3565745440275583
Energy: 0.3855112431257898
Energy: 0.3733558743841335
Energy: 0.36544627160995813
Energy: 0.38550918071316925
Energy: 0.37433740134077065
Energy: 0.37695260437776373
Energy: 0.3733751990038556
Energy: 0.39197097863765135
Energy: 0.3639340403654795
Energy: 0.37976304565926094
Energy: 0.3926270342537761
Energy: 0.38538183011394417
Energy: 0.37384633184305643
Energy: 0.430780112796467
Energy: 0.6468209533973726
Energy: 0.5890765073534455
Energy: 0.43120552260341033
Energy: 0.6679221649606193
Energy: 0.5167663036376063
Energy: 0.3750247665816634
Energy: 0.36822172919440166
Energy: 0.38235803827676274
Energy: 0.3755108319817743
Energy: 0.38609423138921967
Energy: 0.3740361403482317
Energy: 0.35722314904334057
Energy: 0.3693586684534379
Energy: 0.38801403089207
Energy: 0.3578479407509396
Energy: 0.3784623643959123
Energy: 0.3640381006757799
Energy: 0.3840104080847591
Energy: 0.38406765171927315
Energy: 0.39182451821644215
Energy: 0.38555779190160633
Energy: 0.37545487388230686
Energy: 0.39308829029057357
Energy: 0.5621080823185111
Energy: 0.5470725187930521
Energy: 0.5455770803329009
Energy: 0.5684677075869203
Energy: 0.544719265154105
Energy: 0.5107172756654309
Energy: 0.40866195660977234
Energy: 0.3681595268743667
Energy: 0.3672987291701397
Energy: 0.40932983415114216
Energy: 0.3874976512040189
Energy: 0.38061286574324504
Energy: 0.47956598541347195
Energy: 0.3974779584113409
Energy: 0.38727316957504737
Energy: 0.47617124002814337
Energy: 0.394407237564731
Energy: 0.3581402155531193
Energy: 0.3688672005700291
Energy: 0.3699528855493255
Energy: 0.389386533298659
Energy: 0.42165125264918685
Energy: 0.37101143779480944
Energy: 0.37781637604695806
Energy: 0.38683313746895404
Energy: 0.3607479653699598
Energy: 0.3965326760854886
Energy: 0.386215393353995
Energy: 0.36282441793198994
Energy: 0.39363981610934967
Energy: 0.36426665995977997
Energy: 0.37417880259193625
Energy: 0.3504605695936901
Energy: 0.36403948895631516
Energy: 0.361109600825813
Energy: 0.3502394350669097
Energy: 0.5814230511740206
Energy: 0.41712832436865815
Energy: 0.41171828870861615
Energy: 0.5750033741613347
Energy: 0.41663873531484996
Energy: 0.5254857292284362
Energy: 0.4146304320654516
Energy: 0.3670344346804
Energy: 0.3683843015048194
Energy: 0.41072798675566907
Energy: 0.37894030179148036
Energy: 0.3679677934885035
Energy: 0.3842235705309557
Energy: 0.3809304222608837
Energy: 0.3918279152905014
Energy: 0.37929946428192324
Energy: 0.3943624773107698
Energy: 0.3813398122286384
Energy: 0.37951722502046925
Energy: 0.3776498222056991
Energy: 0.3569160260580287
Energy: 0.37608465744442726
Energy: 0.3768851546360324
Energy: 0.3574630833416753
Energy: 0.3742563208764087
Energy: 0.4313677436090204
Energy: 0.35753764196155785
Energy: 0.375107356213523
Energy: 0.43942252967219586
Energy: 0.39834229439087765
Energy: 0.3937429251664239
Energy: 0.36919227572102864
Energy: 0.3748605689459493
Energy: 0.390464060054905
Energy: 0.4218119126395553
Energy: 0.3743425059149661
Energy: 0.4189382588999444
Energy: 0.37396825238059456
Energy: 0.3570943872862639
Energy: 0.41941728554458724
Energy: 0.5889315891242725
Energy: 0.38723709335873974
Energy: 0.3695688260547749
Energy: 0.37377412927653225
Energy: 0.3750168457597277
Energy: 0.3697106746162343
Energy: 0.40161575852601755
Energy: 0.40714149664340155
Energy: 0.35704752770919096
Energy: 0.37895878341913514
Energy: 0.38942374576675404
Energy: 0.35748551668415157
Energy: 0.3770473682600282
Energy: 0.39305509049116066
Energy: 0.35731228948540267
Energy: 0.35929756537393154
Energy: 0.3611475958421264
Energy: 0.3578083072450949
Energy: 0.3775749292610177
Energy: 0.3597699026053263
Energy: 0.44599210997357946
Energy: 0.3414202566123096
Energy: 0.34128195942002243
Energy: 0.4500069326524067
Energy: 0.576568128071155
Energy: 0.34101424420045434
Energy: 0.38615919485333966
Energy: 0.3848726648500465
Energy: 0.38497104220056555
Energy: 0.38663226165162207
Energy: 0.37155890189267826
Energy: 0.3765675301903047
Energy: 0.4717717879658535
Energy: 0.3725867369624724
Energy: 0.3702746892848474
Energy: 0.4613131895382997
Energy: 0.3881457420194196
Energy: 0.35581281036862633
Energy: 0.49570317395154306
Energy: 0.3898387212333555
Energy: 0.38054540297562306
Energy: 0.4930379445082263
Energy: 0.3916380811908205
Energy: 0.358263876855431
Energy: 0.38807755609292566
Energy: 0.39356788943296184
Energy: 0.3517663202758917
Energy: 0.38738942790020703
Energy: 0.35809091324321807
Energy: 0.3498638400894998
Energy: 0.3819642366097446
Energy: 0.38765920418029615
Energy: 0.3924002536182713
Energy: 0.3807627544955905
Energy: 0.3583761957500097
Energy: 0.3509762075068125
Energy: 0.6031425975215688
Energy: 0.39921080110632706
Energy: 0.42217514624898533
Energy: 0.5736457773884878
Energy: 0.4014013745415122
Energy: 0.3670989877474595

minimum gb energy = 0.34101424420045434 eV
minimum distance =  2.53485364044464 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.011689268348432015
Energy: 0.012251396163440812
Energy: 0.012093948567637496
Energy: 0.0133419884444887
Energy: 0.9121659067931298
Energy: 0.012002220159057633
Energy: 0.012230788276382229
Energy: 0.05989988514252811
Energy: 0.058869036308827394
Energy: 0.05857589076714428
Energy: 0.17607519778765307
Energy: 0.05855778824922863
Energy: 0.45811981627071785
Energy: 0.3438075989932311
Energy: 0.34234339577601725
Energy: 0.4591894944543331
Energy: 0.3424283731555274
Energy: 0.34202967654623256
Energy: 0.012230788277070326
Energy: 0.05989988514252811
Energy: 0.058869036308473524
Energy: 0.058575890767478496
Energy: 0.17607519778800693
Energy: 0.05855778824922863

minimum gb energy = 0.011689268348432015 eV
minimum distance =  2.8239448128857 Angstroms
sigma value = 1