Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.025435209274292
cohesive_energy=3.381271244149137
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=[1.212363854594532e-19, 1.71623558857446e-19, 2.2832298775807197e-19, 2.8457220502454396e-19, 3.3121957772345398e-19, 3.67943068351368e-19, 3.9972384406339203e-19, 4.29934486674096e-19, 4.58621459305866e-19, 4.73007403302552e-19, 4.838044716390779e-19, 4.93234883306802e-19, 5.01638299752132e-19, 5.09250240940266e-19, 5.160755134011059e-19, 5.2204522353939e-19, 5.27096886466392e-19, 5.31244921771818e-19, 5.34580653523806e-19, 5.37208223203566e-19, 5.392093418194319e-19, 5.40608042020914e-19, 5.414299586341559e-19, 5.416975221320339e-19, 5.41396312924842e-19, 5.4040456558839595e-19, 5.385684711658319e-19, 5.35706983697508e-19, 5.31523700506134e-19, 5.25768682036806e-19, 5.18169558261744e-19, 5.08401087324246e-19, 4.96086757715322e-19, 4.8079718609706e-19, 4.619507823513179e-19, 4.4065465053219e-19, 4.15385120660742e-19, 3.8225050569298794e-19, 3.3822108961403397e-19, 2.7910718052597e-19, 1.9870194614867997e-19, 8.7624642290094e-20, -6.93391605839154e-20, -3.03590041670124e-19, -6.83203364623548e-19, -1.3455015285266638e-18, -2.5180769285924397e-18, -4.1103200674616396e-18, -4.6136118135000595e-18, -5.259769649992259e-18, -6.099230097376559e-18, -7.28064310375548e-18, -9.304977259048139e-18, -1.3271934561299458e-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: 0.01051651861638453
Energy: 0.19232824228561626
Energy: 0.010965155834970075
Energy: 0.01065243603284518
Energy: 0.1922525362241523
Energy: 0.010820715068497092
Energy: 0.19232824228561626
Energy: 0.059738875638651844
Energy: 0.05992680396052698
Energy: 0.059828267793167404
Energy: 0.05969120996859479
Energy: 0.05985782336775056
Energy: 0.010965155834717159
Energy: 0.059926803960274055
Energy: 0.06006680357297107
Energy: 0.010978148008853215
Energy: 0.059653971758687044
Energy: 0.06005566771737653
Energy: 0.010652436033351014
Energy: 0.05982826779392616
Energy: 0.010978148009583867
Energy: 0.010829314375861166
Energy: 0.05964116814967957
Energy: 0.010846341621215417
Energy: 0.19225253622266295
Energy: 0.05969120996884771
Energy: 0.059653971758911864
Energy: 0.0596411681501854
Energy: 0.05976849429707423
Energy: 0.05965311135040647
Energy: 0.010820715069002926
Energy: 0.05985782336775056
Energy: 0.060055667717123624
Energy: 0.010846341621468334
Energy: 0.05965311135139004
Energy: 0.010997556898281495

minimum gb energy = 0.01051651861638453 eV
minimum distance =  2.84105428914042 Angstroms
sigma value = 1


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

Energy: 0.662294825752182
Energy: 0.6942052135010701
Energy: 0.4980339681963364
Energy: 0.46635732933138874
Energy: 0.7011522240169782
Energy: 0.4969212214999899
Energy: 0.6269934582856715
Energy: 0.49104061279940714
Energy: 0.4908449810857557
Energy: 0.48759098308677823
Energy: 0.4911319681237006
Energy: 0.4887105311512633
Energy: 0.6319063109684473
Energy: 0.49091157462135526
Energy: 0.49115693999540455
Energy: 0.48352397512955764
Energy: 0.4909016253105428
Energy: 0.4711691560283541
Energy: 0.6670721330150158
Energy: 0.46392523280822673
Energy: 0.4762142510267459
Energy: 0.47655596071051876
Energy: 0.48506650922134514
Energy: 0.4763758548931085
Energy: 0.6275453291027607
Energy: 0.4932496873086728
Energy: 0.49298707870473546
Energy: 0.4860393687855743
Energy: 0.4944075699589587
Energy: 0.49390955185417895
Energy: 0.6143843836594978
Energy: 0.49259911202995454
Energy: 0.4852722068168738
Energy: 0.48317158881086836
Energy: 0.4941308261894363
Energy: 0.48547587657148256
Energy: 0.6138367655657375
Energy: 0.48367541054084534
Energy: 0.4836821748956381
Energy: 0.4842436622731922
Energy: 0.4863373872496521
Energy: 0.4837533431022925
Energy: 0.5923980457138875
Energy: 0.4895059958014114
Energy: 0.48850857599135356
Energy: 0.5030639515399167
Energy: 0.483986281561511
Energy: 0.4851296437295484
Energy: 0.5159065376491059
Energy: 0.48379351116620023
Energy: 0.4847927982613962
Energy: 0.5097177207276156
Energy: 0.4832615594964891
Energy: 0.48372371227841976
Energy: 0.5135558266555685
Energy: 0.48592988304905677
Energy: 0.4964719572032449
Energy: 0.493756755420558
Energy: 0.48603140464296196
Energy: 0.4943656664904264
Energy: 0.543150908933341
Energy: 0.4819929723310704
Energy: 0.4801892894129092
Energy: 0.5440133801597383
Energy: 0.48274097150088546
Energy: 0.49698298104984207
Energy: 0.49249367141722766
Energy: 0.4748695183854555
Energy: 0.4753869216863816
Energy: 0.4909086704677169
Energy: 0.48914602914348354
Energy: 0.477019811881044
Energy: 0.4911124062876222
Energy: 0.48360157164642625
Energy: 0.4930142500344204
Energy: 0.4909757433576265
Energy: 0.4883140183714667
Energy: 0.4828510078103855
Energy: 0.5210245344250634
Energy: 0.4768013004479169
Energy: 0.4935963926349943
Energy: 0.49742056779385124
Energy: 0.47644600761102757
Energy: 0.4700864056576507
Energy: 0.5004476180436617
Energy: 0.4853093763967454
Energy: 0.5079503807157726
Energy: 0.4983606826468459
Energy: 0.49569372775713977
Energy: 0.4965800176298364
Energy: 0.5073271863112081
Energy: 0.4754887167954945
Energy: 0.47560654282792275
Energy: 0.5019580846314923
Energy: 0.4756567807717697
Energy: 0.4755786330418181
Energy: 0.5594554530166231
Energy: 0.4848724260991836
Energy: 0.48527362210873115
Energy: 0.4849913054479389
Energy: 0.4844157805434032
Energy: 0.4769685400559806
Energy: 0.5589097348594143
Energy: 0.486534420959133
Energy: 0.4859751390256949
Energy: 0.48628416726245643
Energy: 0.49287144448345055
Energy: 0.4859353013406547
Energy: 0.5606164878839033
Energy: 0.4874391652047857
Energy: 0.48558353649070585
Energy: 0.48722452212307515
Energy: 0.4859029470990996
Energy: 0.48531257642245673
Energy: 0.5623444430993141
Energy: 0.4875566835669059
Energy: 0.4859257404201563
Energy: 0.48777095986730884
Energy: 0.4858099470530767
Energy: 0.485277423254038
Energy: 0.6655110140721078
Energy: 0.4875179952120404
Energy: 0.4814750503595542
Energy: 0.48122957516794335
Energy: 0.5261096653340227
Energy: 0.48116349294981564
Energy: 0.6385276855407379
Energy: 0.49536033028064624
Energy: 0.49341577636931633
Energy: 0.4843789422368684
Energy: 0.5019176618742575
Energy: 0.47577697231179555
Energy: 0.654045931012366
Energy: 0.49658911989102494
Energy: 0.49650163869109126
Energy: 0.4857718467717752
Energy: 0.4965448331244646
Energy: 0.501212664268368

minimum gb energy = 0.46392523280822673 eV
minimum distance =  2.59749719905574 Angstroms
sigma value = 33


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

Energy: 0.7491281311268977
Energy: 0.47629662093271297
Energy: 0.48844551024840094
Energy: 0.6171354263779637
Energy: 0.6874000503534319
Energy: 0.5068520985421547
Energy: 0.6230620763294861
Energy: 0.4951087716511935
Energy: 0.48990423371010205
Energy: 0.4997362672061603
Energy: 0.4957204141248279
Energy: 0.49506331930716063
Energy: 0.5957462405759356
Energy: 0.4943020244776396
Energy: 0.4917527753283627
Energy: 0.5279223872932948
Energy: 0.5038357458000454
Energy: 0.48200846246647944
Energy: 0.6407835101911078
Energy: 0.511328906749734
Energy: 0.5082193339222348
Energy: 0.491987293388164
Energy: 0.5117066579564586
Energy: 0.4918033010310807
Energy: 0.6021104959165172
Energy: 0.5086485257479871
Energy: 0.5000358649728557
Energy: 0.4981732228192472
Energy: 0.5270659382317565
Energy: 0.5293236152515851
Energy: 0.6236782359378172
Energy: 0.5235904635357158
Energy: 0.5088707423521064
Energy: 0.5086046157863645
Energy: 0.52377190222419
Energy: 0.510180684372264
Energy: 0.6225910689550642
Energy: 0.5112505780313356
Energy: 0.5127988867297187
Energy: 0.512517887965485
Energy: 0.4967380794069779
Energy: 0.5138239602617594
Energy: 0.6028061414530963
Energy: 0.5088014928393756
Energy: 0.5079798726196876
Energy: 0.5333248838510533
Energy: 0.5079158825474035
Energy: 0.5081087988922829
Energy: 0.5386770870713029
Energy: 0.5065693291719305
Energy: 0.5068260087719653
Energy: 0.532983979339691
Energy: 0.5061190795285215
Energy: 0.5154924934472278
Energy: 0.5359526350275555
Energy: 0.5255835734381655
Energy: 0.5241040542954731
Energy: 0.524957092970696
Energy: 0.5338544282780765
Energy: 0.5248098311041455
Energy: 0.560119283937278
Energy: 0.4544527834306928
Energy: 0.45444205300370333
Energy: 0.5282123254055102
Energy: 0.45432943029216527
Energy: 0.4544625782031957
Energy: 0.5193168847342934
Energy: 0.4779001704939177
Energy: 0.5044070500853385
Energy: 0.5180334226201541
Energy: 0.49219510961656276
Energy: 0.5163467969368644
Energy: 0.5227805294281266
Energy: 0.5298547893853829
Energy: 0.5122345540811516
Energy: 0.5220199417405214
Energy: 0.5284017527014256
Energy: 0.5139896232344661
Energy: 0.5645178552507308
Energy: 0.4916832071260658
Energy: 0.4918560576005212
Energy: 0.5734950930609365
Energy: 0.49151541482788014
Energy: 0.5077048076887519
Energy: 0.5329914590361906
Energy: 0.5238281600776226
Energy: 0.526733465947034
Energy: 0.5274998954965254
Energy: 0.5363162273738092
Energy: 0.5281845328574207
Energy: 0.5332893450239113
Energy: 0.5085602372792726
Energy: 0.5087363373104382
Energy: 0.5244281659469582
Energy: 0.5071821474428168
Energy: 0.5083111899870918
Energy: 0.60245949266803
Energy: 0.5112916974713836
Energy: 0.5119217343570172
Energy: 0.5404602590906179
Energy: 0.5112419190916413
Energy: 0.5134188895136642
Energy: 0.5406941096503352
Energy: 0.5191436278279733
Energy: 0.5121646045998572
Energy: 0.5072878219394814
Energy: 0.5259238725802051
Energy: 0.506770065476764
Energy: 0.5411210461294866
Energy: 0.5276247412777784
Energy: 0.5240213797651674
Energy: 0.5063980011219824
Energy: 0.5281294260821101
Energy: 0.5181694083083542
Energy: 0.6092050954144757
Energy: 0.5247172612796818
Energy: 0.5230315628229365
Energy: 0.5322166711804955
Energy: 0.5255007584111843
Energy: 0.5274977357783553
Energy: 0.6640095159935544
Energy: 0.5125252604302751
Energy: 0.454221290274186
Energy: 0.4547768499398015
Energy: 0.5543510324684144
Energy: 0.4540009973310023
Energy: 0.6384654523655997
Energy: 0.5163723291052925
Energy: 0.5162532422813515
Energy: 0.47812163007691516
Energy: 0.526726108831789
Energy: 0.5062543839060135
Energy: 0.6045379911931852
Energy: 0.5189507345229313
Energy: 0.5173520359472185
Energy: 0.5299239124940638
Energy: 0.5205093336129957
Energy: 0.5134270921813552
Energy: 0.639367166228182
Energy: 0.5582022391569575
Energy: 0.5364642743978123
Energy: 0.5076899638197233
Energy: 0.5638694319151611
Energy: 0.5059868653816403
Energy: 0.5996786355135306
Energy: 0.5233694560095231
Energy: 0.5251451892917206
Energy: 0.5343169611764083
Energy: 0.5285846481903562
Energy: 0.524442959266342
Energy: 0.6222514795173533
Energy: 0.524436644362384
Energy: 0.5311174204700323
Energy: 0.5075883797554186
Energy: 0.524243756872345
Energy: 0.5085670527921834
Energy: 0.6210529715362674
Energy: 0.5116083752741906
Energy: 0.5123174611163452
Energy: 0.5196179300555785
Energy: 0.5149428290615775
Energy: 0.5122840983153718
Energy: 0.6027091136567849
Energy: 0.506223794225112
Energy: 0.5069896331812522
Energy: 0.53833665608105
Energy: 0.5060463565708596
Energy: 0.5220362721748515
Energy: 0.5379954615485664
Energy: 0.5062455189251123
Energy: 0.5071253587550587
Energy: 0.5273425693356224
Energy: 0.5060731099055124
Energy: 0.5186518369977035
Energy: 0.5370346258148027
Energy: 0.525326399844193
Energy: 0.5245513437646183
Energy: 0.5264890666170415
Energy: 0.5331314181366722
Energy: 0.5225999173088611
Energy: 0.5594010493959243
Energy: 0.4544564122314737
Energy: 0.45432799734496926
Energy: 0.5581709749235358
Energy: 0.4540780864340674
Energy: 0.4540465844612543
Energy: 0.5234792311006521
Energy: 0.45282464419495394
Energy: 0.44581222801887815
Energy: 0.5229308795304987
Energy: 0.4534957345418316
Energy: 0.5006390021412013
Energy: 0.5183984968253845
Energy: 0.5264043935652326
Energy: 0.5064824859191244
Energy: 0.5183525391047814
Energy: 0.5286081007560852
Energy: 0.5174535914722111
Energy: 0.5227813255039069
Energy: 0.5075511691075121
Energy: 0.491729120635043
Energy: 0.5225591157919252
Energy: 0.4909894090123651
Energy: 0.5080417688230007
Energy: 0.5326854766786532
Energy: 0.5284799922796366
Energy: 0.525686745438045
Energy: 0.5271053374171635
Energy: 0.5265711877267227
Energy: 0.5264379087901887
Energy: 0.5344449096679663
Energy: 0.5076324986881322
Energy: 0.508300014121996
Energy: 0.5276328002425743
Energy: 0.5262479578177485
Energy: 0.5324607722781045
Energy: 0.5324674651827819
Energy: 0.5221959218276112
Energy: 0.47935873192852957
Energy: 0.5063222112682986
Energy: 0.5206512874500248
Energy: 0.513164948295892
Energy: 0.5408233267453547
Energy: 0.5101445183145266
Energy: 0.5091670989359816
Energy: 0.5059928857963957
Energy: 0.5245163810449167
Energy: 0.5163147111029485
Energy: 0.5444976436697871
Energy: 0.5067168523637383
Energy: 0.4978669307671741
Energy: 0.50730900206253
Energy: 0.5059868387218363
Energy: 0.506908582471415
Energy: 0.6210443377243189
Energy: 0.5007517228597687
Energy: 0.4968424662108546
Energy: 0.4922114098424883
Energy: 0.501737259075198
Energy: 0.4963499621464179
Energy: 0.6872725567762205
Energy: 0.4876338726847917
Energy: 0.45388299600274945
Energy: 0.4543237965443151
Energy: 0.4686139567712227
Energy: 0.46964950354435786

minimum gb energy = 0.44581222801887815 eV
minimum distance =  2.58980135824877 Angstroms
sigma value = 51


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

Energy: 0.686560498463573
Energy: 0.48614700525601173
Energy: 0.4704991891612782
Energy: 0.4535922232663282
Energy: 0.5036681451860446
Energy: 0.4550413319169114
Energy: 0.5423925725573818
Energy: 0.503129838649869
Energy: 0.5030949046181392
Energy: 0.49095589346965607
Energy: 0.5032653272705097
Energy: 0.4864843664509478
Energy: 0.617197563847107
Energy: 0.5033314527017424
Energy: 0.5042535744121714
Energy: 0.47049037887880824
Energy: 0.5050144849032451
Energy: 0.4707961421014314
Energy: 0.6297625141376096
Energy: 0.462016188346972
Energy: 0.4620288657257263
Energy: 0.46999055169082776
Energy: 0.46196549707293516
Energy: 0.469453016432972
Energy: 0.5422534154716127
Energy: 0.5039217935309803
Energy: 0.5052190484534633
Energy: 0.45567390395191204
Energy: 0.5037690709411912
Energy: 0.5042689531757822
Energy: 0.5423165769551815
Energy: 0.5065531054954596
Energy: 0.49049914521464727
Energy: 0.5058666359336409
Energy: 0.5052093121249948
Energy: 0.49072156798691635
Energy: 0.5422939230315064
Energy: 0.49162166157518855
Energy: 0.490123595228546
Energy: 0.5053970414300182
Energy: 0.4925078469714918
Energy: 0.5047322559888728
Energy: 0.5723508525426919
Energy: 0.4589787986487524
Energy: 0.4595053362118867
Energy: 0.5266435103674761
Energy: 0.4592937587684555
Energy: 0.4595456780529526
Energy: 0.5029544916348626
Energy: 0.4600327349650396
Energy: 0.4541179397759575
Energy: 0.502957247186276
Energy: 0.45921447820985445
Energy: 0.47056040229953633
Energy: 0.5032443672668926
Energy: 0.5016168931238244
Energy: 0.4863352367644359
Energy: 0.5032401680855761
Energy: 0.48169542398255427
Energy: 0.5030962461126519
Energy: 0.5127196142209373
Energy: 0.4614163203957669
Energy: 0.46124268605994434
Energy: 0.5123041567929677
Energy: 0.46131715264854867
Energy: 0.493149310807617
Energy: 0.5115070137730247
Energy: 0.5100974761936503
Energy: 0.48681038441628544
Energy: 0.49660965899236786
Energy: 0.462797714537224
Energy: 0.5030966880769007
Energy: 0.5105998545445386
Energy: 0.46990620396385957
Energy: 0.4701090957215193
Energy: 0.5105423935787652
Energy: 0.47019670018367754
Energy: 0.5110050500067527
Energy: 0.511611510559858
Energy: 0.47138146784799845
Energy: 0.4792009122016908
Energy: 0.5127560297192397
Energy: 0.47025389348443813
Energy: 0.47537363665505616
Energy: 0.5687237753165898
Energy: 0.46381950074699546
Energy: 0.46387132448650603
Energy: 0.4801406118412127
Energy: 0.47154981225042786
Energy: 0.4637459597963285
Energy: 0.570812318644678
Energy: 0.5123718548615026
Energy: 0.4788752911068325
Energy: 0.4769752311075983
Energy: 0.5123107706061719
Energy: 0.48952431304462546
Energy: 0.6010838971429802
Energy: 0.5140627435514986
Energy: 0.5127977948511907
Energy: 0.48291861602781794
Energy: 0.5143322533520749
Energy: 0.5127314028608935
Energy: 0.6674105603085452
Energy: 0.4877237981514444
Energy: 0.47794399169960694
Energy: 0.4585044906162799
Energy: 0.4863001776582526
Energy: 0.4606813491687603

minimum gb energy = 0.4535922232663282 eV
minimum distance =  2.65221030865596 Angstroms
sigma value = 19


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

Energy: 0.6117233709603576
Energy: 0.4730682061754708
Energy: 0.5180964170735967
Energy: 0.5187569927985748
Energy: 0.46837650700834393
Energy: 0.5484449161055335
Energy: 0.5739795490917905
Energy: 0.47769826033304535
Energy: 0.4667432970051885
Energy: 0.4513319063364281
Energy: 0.4778109998383351
Energy: 0.477874602061052
Energy: 0.6744388538855577
Energy: 0.478137621457572
Energy: 0.4839205158343321
Energy: 0.4300506651940806
Energy: 0.4780310121409632
Energy: 0.4781868479546629
Energy: 0.5299778857109726
Energy: 0.5081316983660552
Energy: 0.5073441133045011
Energy: 0.5094669348739277
Energy: 0.49333904913635507
Energy: 0.4696073342205277
Energy: 0.5553731227438318
Energy: 0.48354030276808024
Energy: 0.4842866825043948
Energy: 0.4616217178262175
Energy: 0.484515220189861
Energy: 0.48122411107354207
Energy: 0.5575817527461566
Energy: 0.465852634007257
Energy: 0.5115571460786972
Energy: 0.5037125502981953
Energy: 0.46575399489472563
Energy: 0.5025312978972121
Energy: 0.5578114804855722
Energy: 0.5084386538970307
Energy: 0.5017023117379511
Energy: 0.5019950591013057
Energy: 0.47145128027120486
Energy: 0.5018472812419164
Energy: 0.5621157620530496
Energy: 0.40514617959720994
Energy: 0.40506803882992926
Energy: 0.522138191803575
Energy: 0.40472095767970223
Energy: 0.40498376321485535
Energy: 0.5054182157049957
Energy: 0.4049714950476955
Energy: 0.4048444660352116
Energy: 0.5053640184711354
Energy: 0.40524197314132127
Energy: 0.4275518608766581
Energy: 0.505457020236023
Energy: 0.4861247476635065
Energy: 0.5056344666810211
Energy: 0.5054521416736011
Energy: 0.5013552939829485
Energy: 0.5054691283005102
Energy: 0.5057395258499814
Energy: 0.5093031908156671
Energy: 0.5098459017365212
Energy: 0.5057809882331464
Energy: 0.5099415651454408
Energy: 0.49636914020152023
Energy: 0.5350847858462094
Energy: 0.5249997637714576
Energy: 0.5239117570997613
Energy: 0.503022471076612
Energy: 0.5117026777938765
Energy: 0.49755781106911046
Energy: 0.4654921308033144
Energy: 0.5043271576896589
Energy: 0.49943387085832786
Energy: 0.46709505689926806
Energy: 0.5042898752954479
Energy: 0.5413517772839623
Energy: 0.5355020133892029
Energy: 0.5394656216913053
Energy: 0.5029476430308495
Energy: 0.513732554600892
Energy: 0.5401837922514524
Energy: 0.5028064255071398
Energy: 0.5744420293764978
Energy: 0.48587681175775244
Energy: 0.4860648201564971
Energy: 0.4051136747352297
Energy: 0.485946994920647
Energy: 0.40481453546948787
Energy: 0.5741989427821215
Energy: 0.5247742939996234
Energy: 0.4049866184844448
Energy: 0.4046674516286379
Energy: 0.5057977923756585
Energy: 0.4052071492332816
Energy: 0.6522558028063471
Energy: 0.505317760968701
Energy: 0.5052861415706145
Energy: 0.5144253657800065
Energy: 0.5062103119364321
Energy: 0.5054288588550843
Energy: 0.5281258758252436
Energy: 0.5056656940004468
Energy: 0.5056522294376216
Energy: 0.5102203010231954
Energy: 0.5057092125780549
Energy: 0.5059211855328598
Energy: 0.5281430031010654
Energy: 0.5018236409285206
Energy: 0.5018572899097342
Energy: 0.47263347301289216
Energy: 0.501877008486603
Energy: 0.5020384968992638
Energy: 0.5596716319961904
Energy: 0.46574169202393784
Energy: 0.5326269963755093
Energy: 0.5136684029041725
Energy: 0.4657024085878697
Energy: 0.522375924665748
Energy: 0.558559718668739
Energy: 0.515397310226382
Energy: 0.5049498978244465
Energy: 0.5396470561556737
Energy: 0.5100350533990491
Energy: 0.5046264916855536
Energy: 0.5588038772368703
Energy: 0.5020318081890045
Energy: 0.503280963033003
Energy: 0.5025933528669518
Energy: 0.49130602826235276
Energy: 0.5034007674089543
Energy: 0.5663591896347173
Energy: 0.5183745823119537
Energy: 0.518197901528593
Energy: 0.5646825306529415
Energy: 0.5191146746991996
Energy: 0.5190737259922843
Energy: 0.5045625522061469
Energy: 0.47949155760166456
Energy: 0.4853731506609719
Energy: 0.5042669868689881
Energy: 0.40519718573950386
Energy: 0.5045826849327958
Energy: 0.5048280625185928
Energy: 0.5015213970118354
Energy: 0.5046220333796088
Energy: 0.5047076344618736
Energy: 0.5090600345845753
Energy: 0.5048850067558113
Energy: 0.5636338836301584
Energy: 0.47276613496934844
Energy: 0.4733632019304081
Energy: 0.5667767200804029
Energy: 0.5094692564521781
Energy: 0.45074133447054054
Energy: 0.5586359336583634
Energy: 0.5068394564786328
Energy: 0.5262599505013661
Energy: 0.4786909156773584
Energy: 0.5060571041168298
Energy: 0.4906415686598445
Energy: 0.465663794787707
Energy: 0.48293036521296623
Energy: 0.472113931840877
Energy: 0.46563729406510057
Energy: 0.47922617417483043
Energy: 0.4816663321387117
Energy: 0.5594146249436307
Energy: 0.47581436673479954
Energy: 0.47639577235297587
Energy: 0.4628205119553383
Energy: 0.47639639063249456
Energy: 0.47567264114302904
Energy: 0.6122815716111619
Energy: 0.4591622548691375
Energy: 0.41715540600358986
Energy: 0.4054220929109921
Energy: 0.5133400174247759
Energy: 0.43634663491501724

minimum gb energy = 0.4046674516286379 eV
minimum distance =  2.6519115254995 Angstroms
sigma value = 27


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

Energy: 0.4968607406974334
Energy: 0.44823995066745403
Energy: 0.5521609516138086
Energy: 0.49746073537487695
Energy: 0.4482240217974529
Energy: 0.5522949033540462
Energy: 0.516558418522604
Energy: 0.4511251732049038
Energy: 0.4511102591785567
Energy: 0.42528907592129006
Energy: 0.4510971036040797
Energy: 0.4515339456090285
Energy: 0.461448896525245
Energy: 0.44760645385521114
Energy: 0.4476378818041349
Energy: 0.4357950093051699
Energy: 0.44919111571491954
Energy: 0.44806948815236086
Energy: 0.4630712559909797
Energy: 0.4288950770901238
Energy: 0.42834115227977676
Energy: 0.40562420005795685
Energy: 0.472631966272858
Energy: 0.40554422918258826
Energy: 0.5146887141179808
Energy: 0.38200797087397864
Energy: 0.4024711078556052
Energy: 0.47196660268641216
Energy: 0.38208872573702135
Energy: 0.40346523112314353
Energy: 0.4484298831014426
Energy: 0.38218020400618435
Energy: 0.38210041675216994
Energy: 0.4479827165184343
Energy: 0.3822740857435752
Energy: 0.38192092482119255
Energy: 0.4539034775330833
Energy: 0.40199928194459594
Energy: 0.4233648134343775
Energy: 0.4535897706014515
Energy: 0.43611441674582574
Energy: 0.45205300121709796
Energy: 0.44443828368968535
Energy: 0.40578388270863924
Energy: 0.42655176390987015
Energy: 0.44465049547373087
Energy: 0.4038037476387825
Energy: 0.42632053354813493
Energy: 0.4623793816178412
Energy: 0.40532685623907605
Energy: 0.4218409039502944
Energy: 0.4530985805797758
Energy: 0.40346787149660246
Energy: 0.44165629544468804
Energy: 0.4642285044963256
Energy: 0.40396360020082783
Energy: 0.4027278954735644
Energy: 0.4497679448610002
Energy: 0.4488436716593565
Energy: 0.4255975859245051
Energy: 0.4615953953984953
Energy: 0.45511503527680147
Energy: 0.42745716720192156
Energy: 0.425472926791815
Energy: 0.45542774604142044
Energy: 0.4274804100488121
Energy: 0.461596078257546
Energy: 0.44794524368347494
Energy: 0.4223115768690213
Energy: 0.42463923493902384
Energy: 0.42536807748635064
Energy: 0.4220856753071459

minimum gb energy = 0.38192092482119255 eV
minimum distance =  2.68116290295045 Angstroms
sigma value = 9


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

Energy: 0.8039321100389724
Energy: 0.7749822787696302
Energy: 0.39161733745702876
Energy: 0.4217466629705702
Energy: 0.7741602622652577
Energy: 0.42113241829735554
Energy: 0.4144589382432961
Energy: 0.3864178449996137
Energy: 0.38648562558733646
Energy: 0.37857547965146665
Energy: 0.38639224515822845
Energy: 0.40646681834066006
Energy: 0.39088638937331766
Energy: 0.3853412460301568
Energy: 0.38547645192524754
Energy: 0.377505503909674
Energy: 0.38602690059544786
Energy: 0.37295325085689646
Energy: 0.39218907878368336
Energy: 0.36588984906615774
Energy: 0.3642377837445469
Energy: 0.3867866006335414
Energy: 0.3824657308279497
Energy: 0.3905242735623285
Energy: 0.4157051031707641
Energy: 0.3751705089716716
Energy: 0.3647527006055295
Energy: 0.3971793573603806
Energy: 0.3751758942845229
Energy: 0.39354718322207344
Energy: 0.3904056174885195
Energy: 0.35340808053983813
Energy: 0.3746582208918992
Energy: 0.39053998840424525
Energy: 0.3566067031472288
Energy: 0.37426216055140865
Energy: 0.3957502757521924
Energy: 0.3578137244566036
Energy: 0.38674258255567134
Energy: 0.39573554567840663
Energy: 0.38980732768434956
Energy: 0.39570994891664135
Energy: 0.3814710339515513
Energy: 0.37703928062397474
Energy: 0.374601192566863
Energy: 0.38166701237097594
Energy: 0.375979600302569
Energy: 0.3790709915354307
Energy: 0.37315090216298413
Energy: 0.37724614907331394
Energy: 0.3718486398719903
Energy: 0.38103952078573516
Energy: 0.3877222984710601
Energy: 0.40225689646646245
Energy: 0.3739487331917674
Energy: 0.37689411916475696
Energy: 0.3704599640395321
Energy: 0.35516310366550813
Energy: 0.3876540315127953
Energy: 0.38497116800693815
Energy: 0.3693074250691886
Energy: 0.3974927796796126
Energy: 0.39719873769924924
Energy: 0.3565884261742985
Energy: 0.39713398237551734
Energy: 0.3937195483959104
Energy: 0.37356333617181664
Energy: 0.3957356790130141
Energy: 0.39562861043767067
Energy: 0.38058518401499547
Energy: 0.3958542029675848
Energy: 0.41105162622090197
Energy: 0.7044272192058745
Energy: 0.4312313970116009
Energy: 0.38958966683733237
Energy: 0.37189401523392623
Energy: 0.42985885316011174
Energy: 0.3626866208647135
Energy: 0.3733440787299632
Energy: 0.3956711924362527
Energy: 0.37964436536898566
Energy: 0.3892013200510513
Energy: 0.3959985514705862
Energy: 0.37318787817232313
Energy: 0.38532403377642327
Energy: 0.3970259955734324
Energy: 0.39764362212186866
Energy: 0.38542615506846906
Energy: 0.4033617603073922
Energy: 0.40625097778830055
Energy: 0.38739516345135566
Energy: 0.37599418557538106
Energy: 0.37159056236204946
Energy: 0.3878183313075991
Energy: 0.3907697302233377
Energy: 0.38657851607152915
Energy: 0.3862198260820363
Energy: 0.36410956550512635
Energy: 0.358111840379546
Energy: 0.3862102514390526
Energy: 0.3640428783827664
Energy: 0.3861946634549859
Energy: 0.4184488817420541
Energy: 0.36904773619238435
Energy: 0.3974245065469811
Energy: 0.38746811459477115
Energy: 0.36991043032129156
Energy: 0.41927095888445487
Energy: 0.3914724606173556
Energy: 0.37648405267298435
Energy: 0.37365910379085393
Energy: 0.3871290352924226
Energy: 0.3790454386383495
Energy: 0.377058578628862
Energy: 0.39099445874989686
Energy: 0.3853678143616185
Energy: 0.38448594361021554
Energy: 0.3847096656975545
Energy: 0.3860387845614826
Energy: 0.37098699802683444
Energy: 0.3905476814355268
Energy: 0.3859583812468202
Energy: 0.3862100574139492
Energy: 0.38626013215081156
Energy: 0.3850925297729479
Energy: 0.37629539822946984
Energy: 0.40181890328550424
Energy: 0.3875828716490998
Energy: 0.397413765960086
Energy: 0.3947133391510184
Energy: 0.3875313095508365
Energy: 0.37552258733836164
Energy: 0.3985989375243326
Energy: 0.3873746178522973
Energy: 0.38657960691468435
Energy: 0.39789415379680454
Energy: 0.38768754787228493
Energy: 0.38769756921338305
Energy: 0.39047660914412335
Energy: 0.38758036174989335
Energy: 0.3874073239733044
Energy: 0.38874799766506474
Energy: 0.3868003564928221
Energy: 0.39258971943381604
Energy: 0.5074835634008253
Energy: 0.38421969158136715
Energy: 0.4048086968459066
Energy: 0.3907195214102887
Energy: 0.3843100760431767
Energy: 0.38958301285605135
Energy: 0.4161176246228328
Energy: 0.36540459645950263
Energy: 0.3650692362503482
Energy: 0.3898472244136063
Energy: 0.36524420125793344
Energy: 0.3631389052452647
Energy: 0.42955654663267856
Energy: 0.3810955381624025
Energy: 0.4081537238989444
Energy: 0.42980899565167346
Energy: 0.39374870448797794
Energy: 0.3760524540428858
Energy: 0.3967333231034827
Energy: 0.35811585662266093
Energy: 0.3589581897243852
Energy: 0.3960717025776041
Energy: 0.3655462270091159
Energy: 0.39595148592595886
Energy: 0.3964327599305943
Energy: 0.37721557543485534
Energy: 0.41540656269003035
Energy: 0.396140633276685
Energy: 0.3773341340477676
Energy: 0.3964803693486666
Energy: 0.3736981618983608
Energy: 0.3766952192378886
Energy: 0.3659929113362432
Energy: 0.37384473012254577
Energy: 0.37556568587240113
Energy: 0.3748981409080715
Energy: 0.3693788154199826
Energy: 0.38516305803773093
Energy: 0.36886609931512565
Energy: 0.41860912067134026
Energy: 0.3992398314843213
Energy: 0.35747023122641997
Energy: 0.6051658128913664
Energy: 0.3804488184358217
Energy: 0.3798267891273671
Energy: 0.3557893628295292
Energy: 0.37978036299259066
Energy: 0.36478421446999665
Energy: 0.38811936402527736
Energy: 0.3958264649009391
Energy: 0.39546346254889103
Energy: 0.39052146409928734
Energy: 0.39659351769142215
Energy: 0.3950863344005085
Energy: 0.38791405716481014
Energy: 0.39098335602491613
Energy: 0.39147594491801035
Energy: 0.3755619896001546
Energy: 0.3907053805459983
Energy: 0.39380300206205626
Energy: 0.38451027358930134
Energy: 0.3958314049747442
Energy: 0.3788336604551229
Energy: 0.39726981811845385
Energy: 0.39861837437790754
Energy: 0.35786875332972995
Energy: 0.3858008906459476
Energy: 0.39572912590727655
Energy: 0.37828145420551235
Energy: 0.3853868478364774
Energy: 0.39521090057719027
Energy: 0.3586528837919294
Energy: 0.3872568935324974
Energy: 0.3897853076721937
Energy: 0.37286286070406865
Energy: 0.3870956547705784
Energy: 0.3884176117837083
Energy: 0.37135169999604206
Energy: 0.386210948337662
Energy: 0.3733909879353678
Energy: 0.37551725633674055
Energy: 0.3860398954255764
Energy: 0.37360555314148264
Energy: 0.3860307150197918
Energy: 0.5203313912087071
Energy: 0.3968723979628388
Energy: 0.41405120706102017
Energy: 0.5207772790523877
Energy: 0.3969867168786281
Energy: 0.3901795089029232
Energy: 0.3910351240796547
Energy: 0.37316846344031146
Energy: 0.3763705989912545
Energy: 0.38601110764206026
Energy: 0.37366041308072034
Energy: 0.3735029123321787
Energy: 0.3908216431125496
Energy: 0.3857105833425498
Energy: 0.3723379761960495
Energy: 0.3843850109421214
Energy: 0.3859053692156993
Energy: 0.3712442747763849
Energy: 0.39093829896094806
Energy: 0.3854116488197191
Energy: 0.38490337647386624
Energy: 0.384465027362004
Energy: 0.38500920642363745
Energy: 0.3877066800770985
Energy: 0.3986528056577929
Energy: 0.386798492240902
Energy: 0.38650664932756473
Energy: 0.3972502426502425
Energy: 0.3866046791976629
Energy: 0.38807447236492515

minimum gb energy = 0.35340808053983813 eV
minimum distance =  2.64740244931043 Angstroms
sigma value = 57


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

Energy: 0.2808440198111683
Energy: 0.3346023685674969
Energy: 0.17817020039507414
Energy: 0.16141157255631278
Energy: 0.30805668065827413
Energy: 0.28195190238777207
Energy: 0.39348617111971496
Energy: 0.33870928258112354
Energy: 0.3317014480401671
Energy: 0.3382665158917954
Energy: 0.3395798911792832
Energy: 0.3139508841620495
Energy: 0.41110136454128754
Energy: 0.3929362154583989
Energy: 0.3912276005613617
Energy: 0.39199149609162287
Energy: 0.3880370622675452
Energy: 0.3903754475026391
Energy: 0.38947219445119174
Energy: 0.3847105180554686
Energy: 0.37849657428224087
Energy: 0.36516075083739674
Energy: 0.3794221287942011
Energy: 0.38201247221163154
Energy: 0.3916833638520835
Energy: 0.22228632151155436
Energy: 0.22833279493879424
Energy: 0.3915331543137844
Energy: 0.16005300206044734
Energy: 0.3827827245449867
Energy: 0.4039126918034635
Energy: 0.22184156968904808
Energy: 0.22230897196103588
Energy: 0.37834044539876976
Energy: 0.1600145533320977
Energy: 0.1773998940783948
Energy: 0.4037515055479199
Energy: 0.37385080847290947
Energy: 0.3700824818194792
Energy: 0.4038744187706691
Energy: 0.37939224498455293
Energy: 0.40548125203607394
Energy: 0.4000532712423038
Energy: 0.3947003363165532
Energy: 0.4220759484740705
Energy: 0.40076080565406524
Energy: 0.4014878986393881
Energy: 0.4025291326837533
Energy: 0.41487138067016616
Energy: 0.40307549455789765
Energy: 0.4037227345082628
Energy: 0.3823501755491558
Energy: 0.3985434320451335
Energy: 0.3828163299214491
Energy: 0.15999955596638596
Energy: 0.38896791833912236
Energy: 0.17790323335079936
Energy: 0.1599188506144473
Energy: 0.3944301107069712
Energy: 0.1606135834041719
Energy: 0.15992165968895722
Energy: 0.3785382295034822
Energy: 0.39779106112590196
Energy: 0.15994332741235856
Energy: 0.39403620798634864
Energy: 0.17964785163031888
Energy: 0.42397071106425893
Energy: 0.39976225797152215
Energy: 0.3882559795515957
Energy: 0.3858036664955469
Energy: 0.39354793000745325
Energy: 0.3700388713640945
Energy: 0.4267798843350055
Energy: 0.37969913783567233
Energy: 0.3811080613564371
Energy: 0.42986305233880384
Energy: 0.4214754714819468
Energy: 0.43423256460365917
Energy: 0.425033165247731
Energy: 0.37943971875254695
Energy: 0.37944770383327286
Energy: 0.42284692669601126
Energy: 0.37929904393553554
Energy: 0.4068782579559826
Energy: 0.4239911671801836
Energy: 0.16012694403642985
Energy: 0.16020722625727984
Energy: 0.43220404428987663
Energy: 0.22475677307788633
Energy: 0.22208694513975002
Energy: 0.3670459271123718
Energy: 0.38944530326706966
Energy: 0.3879415955995546
Energy: 0.3677663822140318
Energy: 0.22191859553873652
Energy: 0.35834262886527873
Energy: 0.3842032515463175
Energy: 0.3664358701333141
Energy: 0.38744819507311656
Energy: 0.36438519550373605
Energy: 0.39392365783840416
Energy: 0.3843244096940894
Energy: 0.3904089751647459
Energy: 0.33985501261336676
Energy: 0.3208574782865696
Energy: 0.38288943602764636
Energy: 0.3382947407622708
Energy: 0.38586446429841076
Energy: 0.28116577280765714
Energy: 0.3466250525673302
Energy: 0.331210033357999
Energy: 0.16000956529576008
Energy: 0.35649390594878366
Energy: 0.3214119712086074

minimum gb energy = 0.1599188506144473 eV
minimum distance =  2.63929974568104 Angstroms
sigma value = 11


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

Energy: 0.6742323856435125
Energy: 0.38090357845983147
Energy: 0.44142966690566454
Energy: 0.42611871773713167
Energy: 0.3809073218529369
Energy: 0.4426799166210309
Energy: 0.31214812337212755
Energy: 0.31243926888154455
Energy: 0.33292913038400784
Energy: 0.3253368587899746
Energy: 0.31524030938578085
Energy: 0.3173479585457834
Energy: 0.3126654142426728
Energy: 0.31220370818157034
Energy: 0.3118352828139118
Energy: 0.3132389646471406
Energy: 0.3176050858413442
Energy: 0.3126283418517303
Energy: 0.3133610639033235
Energy: 0.3396112706216111
Energy: 0.3181658592297825
Energy: 0.31310553277715125
Energy: 0.31348613942596026
Energy: 0.31153851784864045
Energy: 0.31203636651966826
Energy: 0.3427941961509496
Energy: 0.3314689160883768
Energy: 0.31211885618796104
Energy: 0.36005988904740965
Energy: 0.3298437836550517
Energy: 0.34346798019085595
Energy: 0.32827338421058694
Energy: 0.3275182189343541
Energy: 0.417467789587637
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Energy: 0.3425606636352658
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Energy: 0.32098585044301325
Energy: 0.3115249617645184
Energy: 0.31291237406393757
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Energy: 0.3310526778774926
Energy: 0.34997274399560446
Energy: 0.3198904836423936
Energy: 0.3313993615001228
Energy: 0.34938358093091765
Energy: 0.3814846855117329
Energy: 0.4306400162812309
Energy: 0.31357982742638385
Energy: 0.3234394867283549
Energy: 0.326297826484449
Energy: 0.3125517013891865
Energy: 0.3234076271555154
Energy: 0.5812550653665189
Energy: 0.3118579154796777
Energy: 0.3547267256908603
Energy: 0.4016818195690802
Energy: 0.3117504842453109
Energy: 0.3286026248149504
Energy: 0.4591003618362087
Energy: 0.3544204714746977
Energy: 0.33260336694638487
Energy: 0.3597801117739828
Energy: 0.3115516152414295
Energy: 0.32909714988052896
Energy: 0.39177013700427993
Energy: 0.3044586406821433
Energy: 0.318035189229378
Energy: 0.3602898645519195
Energy: 0.30210654812850707
Energy: 0.3236282290547516
Energy: 0.3593116905211327
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Energy: 0.35904538596562874
Energy: 0.3029486346632698
Energy: 0.32575472806585304
Energy: 0.35873672486678937
Energy: 0.3441815658020322
Energy: 0.3662241663545716
Energy: 0.35888283400158727
Energy: 0.34139973274980534
Energy: 0.36536067385367316
Energy: 0.35856099840783223
Energy: 0.3831507489829585
Energy: 0.41285849615753323
Energy: 0.35872522547559865
Energy: 0.4096790690855627
Energy: 0.3591045806317491
Energy: 0.5446994574209464
Energy: 0.39042329635393147
Energy: 0.3662583849569344
Energy: 0.3938516035346975
Energy: 0.3591502958163608
Energy: 0.3548415567036597
Energy: 0.5073468458628297
Energy: 0.3983680847446557
Energy: 0.39374781663021247
Energy: 0.47484625189875407
Energy: 0.3736671542132556
Energy: 0.3238801974645262
Energy: 0.5682735391085323
Energy: 0.38719352779364014
Energy: 0.3288235595044418
Energy: 0.3239158287786324
Energy: 0.35973762767859446
Energy: 0.33049835704338365
Energy: 0.3665760950437894
Energy: 0.3645234438987408
Energy: 0.32399662202938473
Energy: 0.31211538933442756
Energy: 0.3622860217917115
Energy: 0.32810328329379773
Energy: 0.4187630531382446
Energy: 0.42642544924721887
Energy: 0.3595767326655955
Energy: 0.40560908172097215
Energy: 0.36015389484077953
Energy: 0.32549293324339806
Energy: 0.544703807339009
Energy: 0.3699923117373535
Energy: 0.33074411874520954
Energy: 0.3146967719418701
Energy: 0.39494667467794986
Energy: 0.3243767035196953
Energy: 0.37283591888796785
Energy: 0.4287102637884552
Energy: 0.42749067464643303
Energy: 0.3737135665884686
Energy: 0.4287324166266827
Energy: 0.4944886241319427
Energy: 0.3137369939609133
Energy: 0.332694434651095
Energy: 0.34475676695454355
Energy: 0.3138609665845103
Energy: 0.3352687498911077
Energy: 0.32365516785437276
Energy: 0.31594082891683506
Energy: 0.312040010390306
Energy: 0.3116897382918955
Energy: 0.316402704197325
Energy: 0.3148436779884003
Energy: 0.3123198621583117
Energy: 0.36020023677764845
Energy: 0.31523824611640733
Energy: 0.3116962595698389
Energy: 0.3128899760332148
Energy: 0.3137132811483322
Energy: 0.3178418615140601
Energy: 0.5339921617283545
Energy: 0.3358944922789246
Energy: 0.33195420805098325
Energy: 0.3963211236360129
Energy: 0.31269966273548067
Energy: 0.32272582128545657

minimum gb energy = 0.30210654812850707 eV
minimum distance =  2.63173936537623 Angstroms
sigma value = 41


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

Energy: 0.6556986905932347
Energy: 0.3740807870623719
Energy: 0.36356678238535517
Energy: 0.4805933861109876
Energy: 0.37472698480515276
Energy: 0.4001595801377343
Energy: 0.3439438762410266
Energy: 0.3439393757043313
Energy: 0.3533055418941393
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Energy: 0.3533214137992833
Energy: 0.34415133157920275
Energy: 0.34481951390679705
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Energy: 0.35355001221644833
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Energy: 0.3883708366354717
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Energy: 0.3744010142621114
Energy: 0.35956510886200055
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Energy: 0.34737906835302956
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Energy: 0.3456224442647382
Energy: 0.3436219839935305
Energy: 0.35731767363803163
Energy: 0.3535268969065949
Energy: 0.3611142392651619
Energy: 0.3622572941247763
Energy: 0.3624701743015735
Energy: 0.36223124909732235
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Energy: 0.3700580312914536
Energy: 0.39207176202517424
Energy: 0.37783308488992745
Energy: 0.3537995590478111
Energy: 0.3583247704072068
Energy: 0.3782276980292968
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Energy: 0.4566747386076015
Energy: 0.3480808583343097
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Energy: 0.39221375412447435
Energy: 0.35891353468734394
Energy: 0.3611143383805723
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Energy: 0.3477270897535469
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Energy: 0.4696002014075162
Energy: 0.3395762460192254
Energy: 0.3253361959320789
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Energy: 0.3574277213522525
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Energy: 0.344435589147705
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Energy: 0.3440774238558273
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Energy: 0.3437202466432508
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Energy: 0.35340263512694653
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Energy: 0.3779243260509018
Energy: 0.3533770320917274
Energy: 0.37305287682928717
Energy: 0.42823595810518905
Energy: 0.4215014891319343
Energy: 0.37294483839582304
Energy: 0.425680371745149
Energy: 0.38878787301339257
Energy: 0.3922086883824657
Energy: 0.3447243949711403
Energy: 0.3534125019009245
Energy: 0.3435674822495347
Energy: 0.35792428375171076
Energy: 0.35333116602037784
Energy: 0.36105325984349396
Energy: 0.36352023459332927
Energy: 0.4225222884593374
Energy: 0.3617772301082557
Energy: 0.363271207217353
Energy: 0.39868539476053355
Energy: 0.39204756064052504
Energy: 0.3469864124582624
Energy: 0.3447041674259077
Energy: 0.34360516991706047
Energy: 0.3467935643731538
Energy: 0.35295358153899486
Energy: 0.39219017391492056
Energy: 0.34802435773352236
Energy: 0.35800827213179987
Energy: 0.34422235499783216
Energy: 0.34808812270224215
Energy: 0.35843525265460824
Energy: 0.49540865588174
Energy: 0.3484391565755845
Energy: 0.35855443071258397
Energy: 0.4568576887600161
Energy: 0.42885838098923973
Energy: 0.3587637168359897
Energy: 0.39179190558907945
Energy: 0.33542735639623916
Energy: 0.3836172099432689
Energy: 0.35620196943471666
Energy: 0.327355962304215
Energy: 0.3617743279866291
Energy: 0.34801530141382486
Energy: 0.36698442764230305
Energy: 0.3668820028954912
Energy: 0.34808680763955513
Energy: 0.3667826664323044
Energy: 0.3672021762324941
Energy: 0.377705411472834
Energy: 0.37588963530816877
Energy: 0.3840607751596242
Energy: 0.37814269994357486
Energy: 0.37798635911671247
Energy: 0.3843312026544399
Energy: 0.34689323295275365
Energy: 0.3880383093083344
Energy: 0.3471086006733287
Energy: 0.3464507938568164
Energy: 0.3438259904709608
Energy: 0.3470167819758552
Energy: 0.3436046610500076
Energy: 0.3440817522925083
Energy: 0.34396920651117996
Energy: 0.3437178036770038
Energy: 0.34376379078411906
Energy: 0.3449908468704986
Energy: 0.6293705613953909
Energy: 0.35642223968609016
Energy: 0.3582080680414657
Energy: 0.5127043342406336
Energy: 0.34464144872516506
Energy: 0.3536463615164991

minimum gb energy = 0.3253361959320789 eV
minimum distance =  2.6402594588826 Angstroms
sigma value = 33


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

Energy: 0.4484073195690782
Energy: 0.400823466228592
Energy: 0.3871152192871247
Energy: 0.4494805458080775
Energy: 0.43495155159319593
Energy: 0.45158175736182327
Energy: 0.3853377319089636
Energy: 0.3828722863254444
Energy: 0.3704766069221723
Energy: 0.3896818240199048
Energy: 0.38396511824346224
Energy: 0.37094960772668667
Energy: 0.3880094369903315
Energy: 0.3700315969872531
Energy: 0.3706532647122561
Energy: 0.38870820207569984
Energy: 0.38316619870457985
Energy: 0.371237815591832
Energy: 0.3842278352869377
Energy: 0.3845379200471599
Energy: 0.38304948574396785
Energy: 0.38497228406283734
Energy: 0.38376901326891366
Energy: 0.37131487710181815
Energy: 0.3849920854991775
Energy: 0.36888765100681165
Energy: 0.35907864968878395
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Energy: 0.38462134788058433
Energy: 0.35800113337427836
Energy: 0.41978112345827395
Energy: 0.397146578741403
Energy: 0.3596211478037059
Energy: 0.4266712562701658
Energy: 0.3956740126522656
Energy: 0.3612465198747762
Energy: 0.4077383206382092
Energy: 0.371781677933174
Energy: 0.37036281019739986
Energy: 0.38247315152601113
Energy: 0.37289915988403105
Energy: 0.36865581467404107
Energy: 0.4057233779474028
Energy: 0.40440056901199484
Energy: 0.3629442770185784
Energy: 0.406951332193239
Energy: 0.4038358538971069
Energy: 0.3622844206576715
Energy: 0.4069611757443111
Energy: 0.3580221879159007
Energy: 0.37171596499425924
Energy: 0.4141458187554229
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Energy: 0.36999185228911247
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Energy: 0.36980102902987255
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Energy: 0.43509672654542403
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Energy: 0.35936246565566704
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Energy: 0.4044032288768305
Energy: 0.39029356295810635
Energy: 0.40425105260329003
Energy: 0.40466830154142563
Energy: 0.3814621851251637
Energy: 0.40670772219852264
Energy: 0.3823931116774859
Energy: 0.3819519415210136
Energy: 0.36867842449999344
Energy: 0.37392661291843227
Energy: 0.3831481175857387
Energy: 0.3701457096985579
Energy: 0.4869199548791303
Energy: 0.4372979430061337
Energy: 0.41906526142894823
Energy: 0.3602843334700643
Energy: 0.5173015352804273
Energy: 0.3564881986216834

minimum gb energy = 0.355299163964914 eV
minimum distance =  2.66276175743601 Angstroms
sigma value = 67


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

Energy: 0.5374523508035621
Energy: 0.41492821463914825
Energy: 0.38046825859455985
Energy: 0.5387181140112325
Energy: 0.4143689959286983
Energy: 0.3803743025809119
Energy: 0.41531515314631523
Energy: 0.3912944747094886
Energy: 0.39206207072246135
Energy: 0.41558132567722805
Energy: 0.4159566528122963
Energy: 0.39172955516428143
Energy: 0.417459585351916
Energy: 0.36718032144016344
Energy: 0.38542946579264675
Energy: 0.41768421730859107
Energy: 0.3671830986841036
Energy: 0.3882943147229179
Energy: 0.41634412860827325
Energy: 0.38674978442208485
Energy: 0.3851846219145957
Energy: 0.41641251332801155
Energy: 0.3853931227667513
Energy: 0.3852920008510873
Energy: 0.4133343837186586
Energy: 0.3917382864803474
Energy: 0.3941311938809411
Energy: 0.41303177139070096
Energy: 0.39135879972368615
Energy: 0.39259525370179554
Energy: 0.41386202442409414
Energy: 0.38373792448371724
Energy: 0.3925056557764503
Energy: 0.4139874165993068
Energy: 0.41484327673830856
Energy: 0.41308609952745484
Energy: 0.4556286606700464
Energy: 0.3917068875012226
Energy: 0.3915667513045435
Energy: 0.45594314742195774
Energy: 0.41293558054733326
Energy: 0.3912721117036017

minimum gb energy = 0.36718032144016344 eV
minimum distance =  2.71383255877264 Angstroms
sigma value = 3


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

Energy: 0.7452736945937093
Energy: 0.5410289395929249
Energy: 0.48586210886254133
Energy: 0.4452088896181263
Energy: 0.5404361330889725
Energy: 0.4842619308629671
Energy: 0.4267370225154317
Energy: 0.45296626254231165
Energy: 0.42760365083402196
Energy: 0.44524086325765033
Energy: 0.451581300793409
Energy: 0.4271743791900564
Energy: 0.42876895665232223
Energy: 0.42453699507226356
Energy: 0.4243745250889215
Energy: 0.42854945490927443
Energy: 0.42531403971883885
Energy: 0.42687979712474255
Energy: 0.43029385187218905
Energy: 0.42681151529208183
Energy: 0.42692352711566445
Energy: 0.4307961055868466
Energy: 0.42423215052294644
Energy: 0.42705094041995506
Energy: 0.43262485647294224
Energy: 0.44934290999282533
Energy: 0.42703200832693866
Energy: 0.4328677661111058
Energy: 0.45571934719033996
Energy: 0.42671547813976857
Energy: 0.4261738972089949
Energy: 0.44901382787318367
Energy: 0.4265019342069094
Energy: 0.426198541791429
Energy: 0.45894103786551094
Energy: 0.42735188167744326
Energy: 0.42623219560820735
Energy: 0.4536345143346387
Energy: 0.47354111677425553
Energy: 0.45025986514453575
Energy: 0.4753413767215044
Energy: 0.4534866063631932
Energy: 0.6827100401497851
Energy: 0.5150901799657328
Energy: 0.48363978384935724
Energy: 0.4267838798010666
Energy: 0.5365802271562249
Energy: 0.47416566183689696
Energy: 0.42738089704082227
Energy: 0.4303118612704805
Energy: 0.45938613630055863
Energy: 0.45172590401110896
Energy: 0.4588176327496062
Energy: 0.43644012778975944
Energy: 0.46153274438242603
Energy: 0.42630535676069836
Energy: 0.43388660698288206
Energy: 0.4616350145431484
Energy: 0.4264505690614669
Energy: 0.4458661826127085
Energy: 0.46617625340461405
Energy: 0.43543475850507785
Energy: 0.4239548501131577
Energy: 0.4665000783585002
Energy: 0.4436752989443331
Energy: 0.4267726307146009
Energy: 0.4708903435119252
Energy: 0.4501748618877598
Energy: 0.42689196809779734
Energy: 0.4657499354462155
Energy: 0.4262590534099471
Energy: 0.4274183715034895
Energy: 0.4673431814483874
Energy: 0.4261978832473523
Energy: 0.4266762000971467
Energy: 0.4731051634094362
Energy: 0.42614608301521895
Energy: 0.42689750096830725
Energy: 0.4666131376763106
Energy: 0.43072793336816634
Energy: 0.4264289894905236
Energy: 0.4410688863076344
Energy: 0.4293634250617428
Energy: 0.4263417298064459
Energy: 0.49198962002084773
Energy: 0.42760890073769486
Energy: 0.4283087457753644
Energy: 0.4602847493250298
Energy: 0.42700592074780974
Energy: 0.47439259071654294
Energy: 0.48456560768385254
Energy: 0.42993628148305707
Energy: 0.42896650623882904
Energy: 0.4671645425217086
Energy: 0.4434793714922243
Energy: 0.4480644237246486
Energy: 0.5393074515202066
Energy: 0.4244079854519101
Energy: 0.4481857480877007
Energy: 0.5397059284410868
Energy: 0.4249022154852481
Energy: 0.495711696028769
Energy: 0.449870555643919
Energy: 0.45173690359069346
Energy: 0.45492063302777896
Energy: 0.44719312753907803
Energy: 0.45358448406428403
Energy: 0.45192604817655946
Energy: 0.484549515486454
Energy: 0.47338144159843004
Energy: 0.42657939221713764
Energy: 0.5118956810879084
Energy: 0.4264377125548127
Energy: 0.42591590404116403
Energy: 0.5189942445145168
Energy: 0.4543471484656057
Energy: 0.4402447124308301
Energy: 0.42683448794563406
Energy: 0.45260472087721304
Energy: 0.42600907818210354
Energy: 0.4547287642674075
Energy: 0.45400191603561657
Energy: 0.45471438267625985
Energy: 0.44674773889049774
Energy: 0.43188438910624605
Energy: 0.4555878112938686
Energy: 0.4470195863440113
Energy: 0.45199446273246197
Energy: 0.4524548357698232
Energy: 0.4472581435430586
Energy: 0.45187337087081436
Energy: 0.4502718980087241
Energy: 0.44707463096049554
Energy: 0.4506193857520302
Energy: 0.47334280124282296
Energy: 0.44782053286175394
Energy: 0.43772719789497777
Energy: 0.46929774346662284
Energy: 0.44835443601338154
Energy: 0.4265850917286193
Energy: 0.42651736555032926
Energy: 0.44823621359047633
Energy: 0.42723126495192804
Energy: 0.4486317007427887
Energy: 0.4279037862824906
Energy: 0.4579001474625061
Energy: 0.42291861202471254
Energy: 0.4431882050264244
Energy: 0.451030288122013
Energy: 0.4231890167929255
Energy: 0.5633345057924953
Energy: 0.4901679694080327
Energy: 0.44542811868732923
Energy: 0.4224096920112791
Energy: 0.470565444054305
Energy: 0.42250458680996017
Energy: 0.4281782754528148
Energy: 0.4751281069632569
Energy: 0.4264134381645928
Energy: 0.4533557746531944
Energy: 0.48692195438209424
Energy: 0.4221778594305367
Energy: 0.4220893344525466
Energy: 0.4226660673922396
Energy: 0.42238435185154827
Energy: 0.4222938289356566
Energy: 0.4381940684014916
Energy: 0.42249500452893646
Energy: 0.430367197019692
Energy: 0.4247351412899706
Energy: 0.4244573622124515
Energy: 0.4305405547328251
Energy: 0.4256448272489009
Energy: 0.4310389902630212
Energy: 0.43074917676484276
Energy: 0.4467892666462884
Energy: 0.4381401178956307
Energy: 0.431843461403494
Energy: 0.4392704727742937
Energy: 0.4313169199153137
Energy: 0.4308906180246623
Energy: 0.4529336695128881
Energy: 0.44338238425194487
Energy: 0.4309433086117441
Energy: 0.4749908934592056
Energy: 0.43910179526505366
Energy: 0.43540515119939577
Energy: 0.45090238053437326
Energy: 0.45492616196936725
Energy: 0.43621254156125466
Energy: 0.4377029522053747
Energy: 0.45302513838544056
Energy: 0.5495272008168273
Energy: 0.4941447720381438
Energy: 0.4958334833127406
Energy: 0.4427291186246394
Energy: 0.49101019252089384
Energy: 0.42403129388743
Energy: 0.44475100841518367
Energy: 0.4529895672681513
Energy: 0.42652261012043474
Energy: 0.47067780314773716
Energy: 0.431269130855864
Energy: 0.4811639870247099
Energy: 0.4476168935877218
Energy: 0.45051890218022406
Energy: 0.42416175148248775
Energy: 0.4389003830747847
Energy: 0.4716256510771619
Energy: 0.45530382888575427
Energy: 0.48820496286838044
Energy: 0.42619390839242655
Energy: 0.4340686690828015
Energy: 0.48903973484291546
Energy: 0.4265480151099451
Energy: 0.44551027674459553
Energy: 0.46707437209967395
Energy: 0.43073896777513343
Energy: 0.42766280184849365
Energy: 0.4678058034133628
Energy: 0.45185800966900924
Energy: 0.4776115024453144
Energy: 0.5582830455969868
Energy: 0.4265910186432946
Energy: 0.42729594086001416
Energy: 0.4729560146726232
Energy: 0.4267964164504463
Energy: 0.4285623998907792
Energy: 0.46941486417735107
Energy: 0.43123941306751506
Energy: 0.42592369261352175
Energy: 0.46997366784116634
Energy: 0.4296608902438097
Energy: 0.42599911504233007
Energy: 0.49162166772124466
Energy: 0.42645745593145024
Energy: 0.4263560898588419
Energy: 0.4773443375463125
Energy: 0.4263313664581225
Energy: 0.426472662249173
Energy: 0.4794019812083276
Energy: 0.4267898511899975
Energy: 0.42654606194815126
Energy: 0.4846149881975099
Energy: 0.44167245841123176
Energy: 0.42653939493451265
Energy: 0.45615423549761336
Energy: 0.4789182574285884
Energy: 0.4772653649364254
Energy: 0.456330168776763
Energy: 0.43945856729654326
Energy: 0.4425147945168471
Energy: 0.5406379271666959
Energy: 0.4242228401917625
Energy: 0.4401201954972519
Energy: 0.5398166462327708
Energy: 0.42440185618235915
Energy: 0.4885136744546671
Energy: 0.4616448196007175
Energy: 0.4300345682117514
Energy: 0.42689743341151837
Energy: 0.4675097006788275
Energy: 0.4776694599269577
Energy: 0.42680416684652345
Energy: 0.63958501811384
Energy: 0.4459273545989048
Energy: 0.4552618872370579
Energy: 0.46645979186921527
Energy: 0.4459702084206718
Energy: 0.45503175465748075
Energy: 0.4435075014641263
Energy: 0.4466101463463524
Energy: 0.45635875814023463
Energy: 0.4496895548158562
Energy: 0.4439605214165413
Energy: 0.4549157003128233
Energy: 0.44278356189804513
Energy: 0.4526749714601587
Energy: 0.44137545694158387
Energy: 0.4429239743281502
Energy: 0.4426650927893907
Energy: 0.43984988713816997
Energy: 0.44871362808023674
Energy: 0.45507979004142646
Energy: 0.44238125706119985
Energy: 0.4490411005966837
Energy: 0.4430490747824516
Energy: 0.46428865760617377
Energy: 0.4466662037382926
Energy: 0.4259758557649456
Energy: 0.42707591054763994
Energy: 0.4470745866451093
Energy: 0.426686355147228
Energy: 0.4272449405074226
Energy: 0.42736273940253916
Energy: 0.4260822234641851
Energy: 0.42578440002469703
Energy: 0.4271856543953602
Energy: 0.42649630805454886
Energy: 0.42685325207411634
Energy: 0.42382489333543016
Energy: 0.4609743089629758
Energy: 0.4406479793914516
Energy: 0.4651634370926284
Energy: 0.4492846001831888
Energy: 0.4620685720853568

minimum gb energy = 0.4220893344525466 eV
minimum distance =  2.64087901814781 Angstroms
sigma value = 81


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

Energy: 0.7492854153380444
Energy: 0.4772650890598228
Energy: 0.43073216659830016
Energy: 0.4285815588131416
Energy: 0.47729996820092024
Energy: 0.4582578995783873
Energy: 0.45330798695396224
Energy: 0.433944639876613
Energy: 0.4186076015922977
Energy: 0.43933342077458726
Energy: 0.42901339418920303
Energy: 0.45230478502361704
Energy: 0.4488082189418637
Energy: 0.4495991155839504
Energy: 0.4409974286529474
Energy: 0.41872084748852684
Energy: 0.4340634380455361
Energy: 0.4344513184084125
Energy: 0.4523402643433915
Energy: 0.44966116424174624
Energy: 0.45172292125337465
Energy: 0.45152947997133613
Energy: 0.4335408569831384
Energy: 0.4177233226549692
Energy: 0.44911163531108844
Energy: 0.4591571249192799
Energy: 0.4602656364107088
Energy: 0.4509413016254179
Energy: 0.4680026107499994
Energy: 0.45899978803897856
Energy: 0.4493576427063293
Energy: 0.4693678323533672
Energy: 0.4690338916701602
Energy: 0.45157449299512276
Energy: 0.46849963378686804
Energy: 0.44472230891900444
Energy: 0.44899389647307814
Energy: 0.45364040920225823
Energy: 0.4678650627083049
Energy: 0.4609279701054112
Energy: 0.45303773066554165
Energy: 0.46589595062019795
Energy: 0.6279185372464691
Energy: 0.5382749287926355
Energy: 0.558844425493225
Energy: 0.4508473170807793
Energy: 0.53707585335381
Energy: 0.4545530918731418
Energy: 0.44959584071444675
Energy: 0.4702871360199615
Energy: 0.4699373772207189
Energy: 0.4631497491868219
Energy: 0.45379368162970657
Energy: 0.46905615228098835
Energy: 0.4866403006523583
Energy: 0.4070900926485054
Energy: 0.4070997576318438
Energy: 0.4770275103624353
Energy: 0.4072142695875042
Energy: 0.40715025932497695
Energy: 0.45438866843656167
Energy: 0.40670322755069016
Energy: 0.406563600484145
Energy: 0.45089024795993904
Energy: 0.40871996679472256
Energy: 0.44177923619401654
Energy: 0.43352191126612954
Energy: 0.45306179045088
Energy: 0.44983354086615274
Energy: 0.43356858337452125
Energy: 0.4526061583247494
Energy: 0.4667111516270567
Energy: 0.4337273750255321
Energy: 0.4518795848778489
Energy: 0.45543244560258894
Energy: 0.43376793869471575
Energy: 0.4553472117731761
Energy: 0.44101440231299105
Energy: 0.45568512497214503
Energy: 0.4526212321376268
Energy: 0.46714383688600225
Energy: 0.4551584270365786
Energy: 0.45418951379259265
Energy: 0.4667321494210693
Energy: 0.5279226196298648
Energy: 0.4703664398686065
Energy: 0.4878443812280455
Energy: 0.4658914427777301
Energy: 0.46854033380162874
Energy: 0.4453321803061017
Energy: 0.4550002993215618
Energy: 0.4455498102809688
Energy: 0.4451867058948342
Energy: 0.455555147028848
Energy: 0.4621895973697912
Energy: 0.4699543243535804
Energy: 0.5284518072804275
Energy: 0.4244511928751687
Energy: 0.4511198558397723
Energy: 0.528243228073458
Energy: 0.4545956362248041
Energy: 0.4525944896793565
Energy: 0.4421430031507845
Energy: 0.44200896802274114
Energy: 0.4756351922242095
Energy: 0.4561093319951095
Energy: 0.4617862206800916
Energy: 0.4689304230529926
Energy: 0.4075231208554498
Energy: 0.453763324629805
Energy: 0.40659290384119334
Energy: 0.42213728752356694
Energy: 0.4513570189815646
Energy: 0.4065989955227901
Energy: 0.48926112043987247
Energy: 0.4510102172979094
Energy: 0.4065611304191643
Energy: 0.4074804706331961
Energy: 0.4536566612183698
Energy: 0.40668565846349297
Energy: 0.44188055379022667
Energy: 0.4421430094301403
Energy: 0.4742022223887374
Energy: 0.45581911859161495
Energy: 0.45906303230181644
Energy: 0.46824918190387915
Energy: 0.4540384127835775
Energy: 0.4398598472084832
Energy: 0.4529114467026978
Energy: 0.45397900316837164
Energy: 0.43735548970151084
Energy: 0.4550893975143043
Energy: 0.45198060244332916
Energy: 0.45914923257421847
Energy: 0.4677850544173857
Energy: 0.4526227831449504
Energy: 0.4620372917825808
Energy: 0.46564728169843506
Energy: 0.45216063736630163
Energy: 0.4447094060692
Energy: 0.46849112888005473
Energy: 0.4531644932067285
Energy: 0.44445181607789336
Energy: 0.468161612948287
Energy: 0.4529314981739766
Energy: 0.4686200079984968
Energy: 0.46993249484357347
Energy: 0.4522261718680909
Energy: 0.4551466680959902
Energy: 0.4445570313172619
Energy: 0.507209294596186
Energy: 0.5020557253015031
Energy: 0.47074387771949766
Energy: 0.44997862043841647
Energy: 0.5304962780529929
Energy: 0.4680110619657259
Energy: 0.437918334917548
Energy: 0.4532080330195008
Energy: 0.46582322950212884
Energy: 0.4498521899436684
Energy: 0.4527873570576384
Energy: 0.46553001369363334
Energy: 0.45199856463712496
Energy: 0.4067080686295947
Energy: 0.4417201403393942
Energy: 0.4487051356554419
Energy: 0.41003358307729
Energy: 0.44195697206780205
Energy: 0.45184821136494835
Energy: 0.4074539559965082
Energy: 0.40739114684904576
Energy: 0.4437264920673432
Energy: 0.4073332539479339
Energy: 0.4415268090885515
Energy: 0.45099216262043273
Energy: 0.4701992241876128
Energy: 0.4697353513786674
Energy: 0.4635420280564557
Energy: 0.4581027840653008
Energy: 0.4774438716491377
Energy: 0.4339664428385247
Energy: 0.5044641095173483
Energy: 0.5144377352551769
Energy: 0.43395121341228676
Energy: 0.5099619805077956
Energy: 0.44258013149992476
Energy: 0.45252458563284204
Energy: 0.44976017607085256
Energy: 0.4497959927182085
Energy: 0.460865216412022
Energy: 0.4513589923318939
Energy: 0.4499830678165463
Energy: 0.5232345480866951
Energy: 0.45934731974893706
Energy: 0.47108070158236204
Energy: 0.4670256254966404
Energy: 0.4503092222453526
Energy: 0.46422654326782153
Energy: 0.4529699989045715
Energy: 0.4442897865324751
Energy: 0.44541983296266924
Energy: 0.45464262913753145
Energy: 0.4531468169409706
Energy: 0.4437692426784157
Energy: 0.45211358790584116
Energy: 0.43409285590071217
Energy: 0.4669623258196359
Energy: 0.45412143570911734
Energy: 0.44987811201242034
Energy: 0.43396509857813004
Energy: 0.5274814088774166
Energy: 0.45552960180640717
Energy: 0.4246249690711816
Energy: 0.49694340345396976
Energy: 0.4514997747371203
Energy: 0.4811962962932288
Energy: 0.4544754165192995
Energy: 0.43363376241314056
Energy: 0.41829479709745837
Energy: 0.4395232243624216
Energy: 0.44059440723151316
Energy: 0.4341603735917924
Energy: 0.7489159486912254
Energy: 0.44578006745193655
Energy: 0.4312647267465343
Energy: 0.40793308576157794
Energy: 0.4709833110541423
Energy: 0.4588094991535816

minimum gb energy = 0.4065611304191643 eV
minimum distance =  2.68487412179317 Angstroms
sigma value = 43


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

Energy: 0.7696426116500945
Energy: 0.5428527658879491
Energy: 0.48884084473206485
Energy: 0.4547831295808153
Energy: 0.5511513633694651
Energy: 0.45470312532109103
Energy: 0.4299392491399925
Energy: 0.4232871629155101
Energy: 0.449334999396919
Energy: 0.4564787261246158
Energy: 0.42655086247005086
Energy: 0.42997030674275327
Energy: 0.46066084793509143
Energy: 0.4202910435839524
Energy: 0.42048230401221576
Energy: 0.4602890636434264
Energy: 0.4195680558207798
Energy: 0.4300630550866193
Energy: 0.4298166486972804
Energy: 0.41984778466174466
Energy: 0.4296685416491464
Energy: 0.430148188835659
Energy: 0.42086539021139296
Energy: 0.42963620126242485
Energy: 0.4290791749159653
Energy: 0.45018478492684794
Energy: 0.4497098588543475
Energy: 0.4291725613124756
Energy: 0.4306194519208888
Energy: 0.43932929417511496
Energy: 0.42949817156863435
Energy: 0.4298333867699567
Energy: 0.4476279040976236
Energy: 0.4312990463706303
Energy: 0.4296220914024271
Energy: 0.4498356476299621
Energy: 0.42942652079599725
Energy: 0.42927827078421266
Energy: 0.4292999677136545
Energy: 0.42937636803226803
Energy: 0.430283663952318
Energy: 0.42960952746459724
Energy: 0.5015905048132502
Energy: 0.4302951381430767
Energy: 0.43023718303398367
Energy: 0.4210272337377662
Energy: 0.43283735190452843
Energy: 0.44515071489360836
Energy: 0.4265918129770426
Energy: 0.43007847882400535
Energy: 0.42996656665601185
Energy: 0.4265943713245662
Energy: 0.4555964233852396
Energy: 0.4298001034017063
Energy: 0.4265372561237567
Energy: 0.4286960111782602
Energy: 0.42847836149319357
Energy: 0.42667315350135543
Energy: 0.4289052891455963
Energy: 0.4575154189308133
Energy: 0.4207217060399238
Energy: 0.45712065471308133
Energy: 0.4209090881634955
Energy: 0.4207534921331305
Energy: 0.42354748915646645
Energy: 0.45123612664858664
Energy: 0.43164517692577997
Energy: 0.4295775995745515
Energy: 0.4297883737200462
Energy: 0.41967767903397946
Energy: 0.46041346128386296
Energy: 0.42981076425941717
Energy: 0.4316802652927687
Energy: 0.43009040226534023
Energy: 0.43737145480200834
Energy: 0.41930728425802166
Energy: 0.45624006182319926
Energy: 0.4374540018201782
Energy: 0.42029737089368174
Energy: 0.4299743535391803
Energy: 0.4791009774451675
Energy: 0.42642532424901847
Energy: 0.4560121428817693
Energy: 0.4517574676474324
Energy: 0.420976994869051
Energy: 0.4303322591719814
Energy: 0.42184413889516037
Energy: 0.42123998109739724
Energy: 0.5390376318578549
Energy: 0.43004066302760346
Energy: 0.42131896409634
Energy: 0.43005229951834245
Energy: 0.420435097197225
Energy: 0.4214713369950666
Energy: 0.45995108569648585
Energy: 0.42025371340299883
Energy: 0.42384684463749034
Energy: 0.42162413023271017
Energy: 0.4214870756468774
Energy: 0.4238881474133631
Energy: 0.45072215624234313
Energy: 0.4212840574805003
Energy: 0.42066613647976525
Energy: 0.44119381925432694
Energy: 0.42116620675461197
Energy: 0.4211201890979412
Energy: 0.4536057820124654
Energy: 0.42096643137873685
Energy: 0.42550989686903185
Energy: 0.42198645369624
Energy: 0.4209025024325812
Energy: 0.4511199312637009
Energy: 0.45399742580650587
Energy: 0.42884568685692787
Energy: 0.4255082883215203
Energy: 0.42151697628497836
Energy: 0.42078482760706576
Energy: 0.46603143479900505
Energy: 0.4210442038055305
Energy: 0.4288729361575205
Energy: 0.4211408108076895
Energy: 0.4581829851510785
Energy: 0.42063072299559917
Energy: 0.43919305104431383
Energy: 0.4320110814198554
Energy: 0.42130302296750993
Energy: 0.5035855791555933
Energy: 0.437208350044746
Energy: 0.452081497789223
Energy: 0.5035204115761605
Energy: 0.4197159400506307
Energy: 0.4987272322721818
Energy: 0.4546647823843308
Energy: 0.4212292773497868
Energy: 0.4586234870145241
Energy: 0.4547882215935082
Energy: 0.4539666401245701
Energy: 0.46131630444360733
Energy: 0.46899098154934477
Energy: 0.4205568511002307
Energy: 0.42070134880096727
Energy: 0.49275240109608737
Energy: 0.420639780926455
Energy: 0.4207563290227321
Energy: 0.4545673379464169
Energy: 0.4209626373557606
Energy: 0.42095651100517445
Energy: 0.45336173445187644
Energy: 0.42109261582893787
Energy: 0.42055177185592824
Energy: 0.4565121548397055
Energy: 0.4204455843316988
Energy: 0.4206956887115179
Energy: 0.46670966949278736
Energy: 0.420257528966308
Energy: 0.43044305448333287
Energy: 0.45579737569740225
Energy: 0.4315417016125323
Energy: 0.42046486959906276
Energy: 0.45648399187115785
Energy: 0.4210800704004893
Energy: 0.4204207210810232
Energy: 0.45608964149302456
Energy: 0.4721277851255602
Energy: 0.4297487748611105
Energy: 0.45585868090274806
Energy: 0.42622160299415546
Energy: 0.4298135618600746
Energy: 0.45679585497136715
Energy: 0.42900903806702395
Energy: 0.4291168362645243
Energy: 0.45677357772414395
Energy: 0.42066684018394607
Energy: 0.4775413711033882
Energy: 0.43035298031376074
Energy: 0.42323588931359857
Energy: 0.46706652133279986
Energy: 0.45627512799931264
Energy: 0.4265815493038141
Energy: 0.4297640126889377
Energy: 0.4955447793441658
Energy: 0.4954798371851015
Energy: 0.49014305040035644
Energy: 0.43681179219859795
Energy: 0.49648235814369457
Energy: 0.4495611153956962

minimum gb energy = 0.41930728425802166 eV
minimum distance =  2.59722083727467 Angstroms
sigma value = 57


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

Energy: 0.5822083649648473
Energy: 0.4752355020178197
Energy: 0.4579140107172958
Energy: 0.582740125149741
Energy: 0.6821156744362763
Energy: 0.45814733631051746
Energy: 0.4261412322832947
Energy: 0.4339068059050655
Energy: 0.4269155246798797
Energy: 0.43662651658989454
Energy: 0.4336108160033552
Energy: 0.4261169462865456
Energy: 0.4446149614023838
Energy: 0.39718306993387786
Energy: 0.3968540532251178
Energy: 0.4449462376860134
Energy: 0.3967888730778106
Energy: 0.39657525801785276
Energy: 0.4262861464883028
Energy: 0.396755246387301
Energy: 0.39669246450760937
Energy: 0.42699070033630837
Energy: 0.44347828796356303
Energy: 0.4256900837470012
Energy: 0.42661473706968106
Energy: 0.4146493630528389
Energy: 0.41543596316015985
Energy: 0.4270469755706327
Energy: 0.4153711953525359
Energy: 0.41550484467646
Energy: 0.39717098532302625
Energy: 0.41430486803791455
Energy: 0.4141949125658688
Energy: 0.4154055998762101
Energy: 0.4261705369955015
Energy: 0.41499183163049835
Energy: 0.4375564819409213
Energy: 0.42619910700255526
Energy: 0.42574967843006645
Energy: 0.4372487163280503
Energy: 0.42618502702378913
Energy: 0.4256102604356715
Energy: 0.4251952571143428
Energy: 0.4248040798536318
Energy: 0.424590537889126
Energy: 0.425505002404564
Energy: 0.42644303953082435
Energy: 0.4260399044406481
Energy: 0.43420232215873644
Energy: 0.42648952838358867
Energy: 0.4263867129095607
Energy: 0.43453105423741817
Energy: 0.4335524491793198
Energy: 0.42677736479554307
Energy: 0.4682143971479114
Energy: 0.4249099092571949
Energy: 0.42472784637584293
Energy: 0.4681324178707887
Energy: 0.42432463253434427
Energy: 0.42498323308854474
Energy: 0.46404251509020283
Energy: 0.4251358248481066
Energy: 0.48090751099500706
Energy: 0.4338484850399621
Energy: 0.42563991621857283
Energy: 0.4262871518757481
Energy: 0.396352964553035
Energy: 0.43398069506794007
Energy: 0.42605179099342105
Energy: 0.3974511950769894
Energy: 0.4340465597180593
Energy: 0.4500893806548201
Energy: 0.39963071515192267
Energy: 0.42769559919951916
Energy: 0.45201673181536145
Energy: 0.42686126936329005
Energy: 0.4330597682477437
Energy: 0.450264843508898
Energy: 0.46612813420955856
Energy: 0.43437040447554487
Energy: 0.4153341846249622
Energy: 0.43383461183264704
Energy: 0.4372825858581424
Energy: 0.42610799537684424
Energy: 0.42653125916246853
Energy: 0.39818514120500464
Energy: 0.39686776437231114
Energy: 0.4265452692466055
Energy: 0.39673185997592386
Energy: 0.4087672488333519
Energy: 0.4267320548806855
Energy: 0.4275456574577746
Energy: 0.42885125812906133
Energy: 0.42691596751396704
Energy: 0.43689947688490066
Energy: 0.4258305526651174
Energy: 0.4256934774626791
Energy: 0.41483692038400527
Energy: 0.41410227075031314
Energy: 0.4259503025204804
Energy: 0.4135149629163898
Energy: 0.4138150745986535
Energy: 0.42714014237321174
Energy: 0.4266244591896905
Energy: 0.41440091086406133
Energy: 0.4268689836757799
Energy: 0.4265610844738512
Energy: 0.41460100429598723
Energy: 0.435829092143016
Energy: 0.42671598208133715
Energy: 0.4267793766345574
Energy: 0.43564160453922113
Energy: 0.4265003752583505
Energy: 0.42638162127610496
Energy: 0.43590659725994657
Energy: 0.42658425382848325
Energy: 0.42614625214022095
Energy: 0.4358305502146184
Energy: 0.43533874558318164
Energy: 0.42647722845757036
Energy: 0.4331238118747677
Energy: 0.42755611085065254
Energy: 0.4259989718898392
Energy: 0.4337494460297823
Energy: 0.43759266941418534
Energy: 0.42585414684314893
Energy: 0.4754215165986802
Energy: 0.4247449539767228
Energy: 0.4247196821451488
Energy: 0.47507386621070685
Energy: 0.4246828477287824
Energy: 0.42878581215473116
Energy: 0.46563761074377774
Energy: 0.4344068185181098
Energy: 0.4275943128571826
Energy: 0.4336185705364368
Energy: 0.43462999286816123
Energy: 0.4279631293764087
Energy: 0.3968473588285309
Energy: 0.44235383922299876
Energy: 0.4521840697346626
Energy: 0.44982935772780225
Energy: 0.4582849562292903
Energy: 0.4502724857531187

minimum gb energy = 0.396352964553035 eV
minimum distance =  2.640206012169 Angstroms
sigma value = 17


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

Energy: 0.6690294892455481
Energy: 0.44705524746573627
Energy: 0.5176053981286409
Energy: 0.42483081986375965
Energy: 0.44711052406263063
Energy: 0.4251209176670266
Energy: 0.49421074201485987
Energy: 0.44726715330503325
Energy: 0.4468713674970309
Energy: 0.4537509007834554
Energy: 0.45367444148200126
Energy: 0.41900378987993003
Energy: 0.5514893808546592
Energy: 0.39958159496369466
Energy: 0.3998187580638965
Energy: 0.5521687369260985
Energy: 0.3994455452252548
Energy: 0.39980987099421855
Energy: 0.44788703961488835
Energy: 0.3998502416577436
Energy: 0.3998294158515838
Energy: 0.44674024658517547
Energy: 0.37346176863561065
Energy: 0.44662865977745975
Energy: 0.3942784989293678
Energy: 0.3884912776030909
Energy: 0.3881653228302742
Energy: 0.3946279203131197
Energy: 0.3881637876994253
Energy: 0.4246983626044843
Energy: 0.3998084131918627
Energy: 0.38745938866823176
Energy: 0.38776328170918395
Energy: 0.40636817210132653
Energy: 0.38716076327453447
Energy: 0.4399500694680234
Energy: 0.3884170965630434
Energy: 0.38762468811018946
Energy: 0.3868991013560329
Energy: 0.3881754223632661
Energy: 0.38942719362728445
Energy: 0.4182043181758748
Energy: 0.3875777911896338
Energy: 0.44362380498835874
Energy: 0.44300445154025725
Energy: 0.41724135874879315
Energy: 0.4170611983821166
Energy: 0.42777686933292974
Energy: 0.3883903504517127
Energy: 0.4164053563415627
Energy: 0.4177685631688774
Energy: 0.38926096599493903
Energy: 0.38714617601789736
Energy: 0.38713560497233696
Energy: 0.3867846732291827
Energy: 0.4233163614774818
Energy: 0.42357219495050746
Energy: 0.38691737747187277
Energy: 0.4230713440431578
Energy: 0.4230425861775889
Energy: 0.38744413054536125
Energy: 0.4201482690353685
Energy: 0.42542091389584646
Energy: 0.3938209762772144
Energy: 0.44764206956828206
Energy: 0.42466447531660073
Energy: 0.3947210027477947
Energy: 0.44683733763815403
Energy: 0.4466039306549512
Energy: 0.39441845850608925
Energy: 0.4472332446404379
Energy: 0.44681170215131477
Energy: 0.44440390752481246
Energy: 0.4473175343998843
Energy: 0.4470146468388332
Energy: 0.4176616616158954
Energy: 0.4837723558336701
Energy: 0.44708381075185233
Energy: 0.4546179915423402
Energy: 0.446990016388449
Energy: 0.4470004377623458
Energy: 0.45478572171443477
Energy: 0.44760160384867614
Energy: 0.41905719327731084
Energy: 0.509478473609332
Energy: 0.4468639714977468
Energy: 0.4465809263891466
Energy: 0.5094726922404116
Energy: 0.4470993909940179
Energy: 0.4716962570033276
Energy: 0.49449162637667493
Energy: 0.4659748256598506
Energy: 0.4278265621163013
Energy: 0.4534837528706499
Energy: 0.45364446933617114
Energy: 0.44660450921040945
Energy: 0.4393012908027233
Energy: 0.4469598574625196
Energy: 0.4931339734578872
Energy: 0.43821841008254747
Energy: 0.44074580959153054
Energy: 0.49319470867136417

minimum gb energy = 0.37346176863561065 eV
minimum distance =  2.64825183676717 Angstroms
sigma value = 17


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

Energy: 0.7042180800379417
Energy: 0.4901684288226689
Energy: 0.42399200791714575
Energy: 0.4278071148815688
Energy: 0.45235259885365164
Energy: 0.42972278624832055
Energy: 0.48003003961776464
Energy: 0.4456993197751007
Energy: 0.44160110520349705
Energy: 0.44222085462015776
Energy: 0.44342701978202065
Energy: 0.4157006220556951
Energy: 0.531016233954619
Energy: 0.41397614818758166
Energy: 0.3986521632643843
Energy: 0.522401247812516
Energy: 0.41280327539514566
Energy: 0.40148572860946785
Energy: 0.4468801174796829
Energy: 0.40123983744736125
Energy: 0.4018828021308068
Energy: 0.447301173998328
Energy: 0.3633052774972614
Energy: 0.4015731149932003
Energy: 0.38844712081481436
Energy: 0.3816307650475893
Energy: 0.40985031697612206
Energy: 0.3887431921166399
Energy: 0.3834604732355307
Energy: 0.4089305301857839
Energy: 0.4014658874940951
Energy: 0.3816866979099661
Energy: 0.35977561317722995
Energy: 0.415305317753527
Energy: 0.3819712063326865
Energy: 0.381158246326306
Energy: 0.3531076964622646
Energy: 0.3816367764094803
Energy: 0.3815483090846866
Energy: 0.35331449514009894
Energy: 0.3827501659903427
Energy: 0.3971390764400526
Energy: 0.3555063401900018
Energy: 0.40597346175247984
Energy: 0.4097359543776785
Energy: 0.406475809688766
Energy: 0.40608822525578336
Energy: 0.3974973839574108
Energy: 0.35640543768520233
Energy: 0.4103770655648406
Energy: 0.35430261729943413
Energy: 0.3550150541407473
Energy: 0.3570998469077735
Energy: 0.3542291263152825
Energy: 0.35438236893921676
Energy: 0.409655939573881
Energy: 0.40731455202356454
Energy: 0.3543878407953089
Energy: 0.4098430960803928
Energy: 0.4074982421039079
Energy: 0.3642364955799775
Energy: 0.35401915974377035
Energy: 0.4104870094768838
Energy: 0.40948998361829264
Energy: 0.3541987944025502
Energy: 0.4107679466370071
Energy: 0.35523595293145627
Energy: 0.35411385563404446
Energy: 0.35420145345340326
Energy: 0.35589913167619674
Energy: 0.35653533880697064
Energy: 0.3541217221144976
Energy: 0.35449833935281116
Energy: 0.35640325192532857
Energy: 0.3874683652626242
Energy: 0.382972652904633
Energy: 0.3557331523303148
Energy: 0.3970715600689797
Energy: 0.38202318005449254
Energy: 0.39402155230281777
Energy: 0.3982635822354353
Energy: 0.3828185465572822
Energy: 0.36719439448829183
Energy: 0.3814938733227432
Energy: 0.3818356607411817
Energy: 0.3862899596796331
Energy: 0.38622964913466584
Energy: 0.3817046362418569
Energy: 0.39576342869667036
Energy: 0.39309589400519046
Energy: 0.4500376445701757
Energy: 0.39039973645888887
Energy: 0.41023698895324456
Energy: 0.3826565004121864
Energy: 0.389293496450366
Energy: 0.41062728222439193
Energy: 0.35390503243872395
Energy: 0.4445340173518366
Energy: 0.4445335286651701
Energy: 0.35487517749433173
Energy: 0.4445261116463332
Energy: 0.3810672730467242
Energy: 0.3546282257032075
Energy: 0.4445393782057391
Energy: 0.44430084385133173
Energy: 0.3554179743672407
Energy: 0.4726091053227854
Energy: 0.390813646049586
Energy: 0.5098252679621554
Energy: 0.4432936646398711
Energy: 0.4178212716593266
Energy: 0.3909728419744183
Energy: 0.38096295431127103
Energy: 0.3940301285919198
Energy: 0.5211748138744043
Energy: 0.3845205834574383
Energy: 0.38501820576227014
Energy: 0.48204195416444273
Energy: 0.3904842098336194
Energy: 0.4494977986200961
Energy: 0.5233653136867628
Energy: 0.44257332276980793
Energy: 0.44242394357911535
Energy: 0.44497617870684014
Energy: 0.44356465162255915
Energy: 0.4423926190299918
Energy: 0.3603400651914377
Energy: 0.44880624511379363
Energy: 0.48586357023496757
Energy: 0.3990950198232699
Energy: 0.47179158307167623
Energy: 0.4015419024241002
Energy: 0.36241540423084107
Energy: 0.4450943194447192
Energy: 0.44447795738406926
Energy: 0.36326095766053734
Energy: 0.4480197273427931
Energy: 0.4851070439580316
Energy: 0.5217092308285317
Energy: 0.39754799668332474
Energy: 0.44295312280079785
Energy: 0.4709448258666058
Energy: 0.3595413530574501
Energy: 0.44436146762181694
Energy: 0.4448630308378448
Energy: 0.41448882466262255
Energy: 0.4005942296250324
Energy: 0.44509298708475664
Energy: 0.41428254198407183
Energy: 0.40147720960744127
Energy: 0.39061140653784315
Energy: 0.38200019453525197
Energy: 0.39446466205397457
Energy: 0.39081600627597995
Energy: 0.3846889094912205
Energy: 0.4166288990388252
Energy: 0.3466894568816666
Energy: 0.3813882461457549
Energy: 0.382260321744477
Energy: 0.4139598333282138
Energy: 0.3823626958249515
Energy: 0.3710534153631676
Energy: 0.35111322600420836
Energy: 0.38158798141170036
Energy: 0.3816214097696851
Energy: 0.35201296619249833
Energy: 0.3824256080567512
Energy: 0.38171628418691084
Energy: 0.35509132232951685
Energy: 0.4150775005935176
Energy: 0.41098959206766084
Energy: 0.35914712979493657
Energy: 0.3606562237392303
Energy: 0.4101917007574651
Energy: 0.35427160724357626
Energy: 0.4060549068542022
Energy: 0.41009131984188546
Energy: 0.3542796500727859
Energy: 0.4071220108732128
Energy: 0.35502058723148944
Energy: 0.35656002162435774
Energy: 0.4093285277087955
Energy: 0.41063475343109074
Energy: 0.3571515547945518
Energy: 0.4098776809348675
Energy: 0.3843055308099822
Energy: 0.3549863558559493
Energy: 0.4095937119266184
Energy: 0.4112944771466773
Energy: 0.38925404995378426
Energy: 0.35503783010466233
Energy: 0.4100368987854462
Energy: 0.3637123172420933
Energy: 0.35416180123838775
Energy: 0.35406579934377846
Energy: 0.3625260567125804
Energy: 0.3564144580137636
Energy: 0.3541544657760115
Energy: 0.5820204941742859
Energy: 0.3861099953389135
Energy: 0.4048455508754281
Energy: 0.41841697638078224
Energy: 0.35349911887110014
Energy: 0.41343249076970756
Energy: 0.38501281501329615
Energy: 0.3898972649557332
Energy: 0.41281229398088876
Energy: 0.38152382170811505
Energy: 0.3893576624159532
Energy: 0.415506283518673
Energy: 0.38156935653052265
Energy: 0.4114988314763542
Energy: 0.41103226331024423
Energy: 0.38171139120013325
Energy: 0.4088264031010052
Energy: 0.3816438208929673
Energy: 0.5006444532026066
Energy: 0.4099133647580653
Energy: 0.40853257569094664
Energy: 0.3851794874706838
Energy: 0.3567129804170475
Energy: 0.39229340338625884
Energy: 0.3534856013788809
Energy: 0.4444500157268014
Energy: 0.4440682357768166
Energy: 0.38139214984879094
Energy: 0.4462258538688813
Energy: 0.3834712874964818
Energy: 0.38969285682110333
Energy: 0.4422379462816462
Energy: 0.3834122974893888
Energy: 0.4100421650749102
Energy: 0.4725315884508215
Energy: 0.381307192533899
Energy: 0.44317902348273774
Energy: 0.44229399036263556
Energy: 0.4423838621755186
Energy: 0.44355804360953494
Energy: 0.44650670216380295
Energy: 0.41650807839458026
Energy: 0.49939825513530106
Energy: 0.410567861569054
Energy: 0.4439294709272456
Energy: 0.49950625218504807
Energy: 0.4099958000489441
Energy: 0.44401311283754863
Energy: 0.5214440348001445
Energy: 0.4133894642882793
Energy: 0.43964154665589583
Energy: 0.5225845363835753
Energy: 0.3805788662087297
Energy: 0.44444686660564
Energy: 0.3635342466660519
Energy: 0.4446304845925473
Energy: 0.44427412420077805
Energy: 0.3644382679655492
Energy: 0.4870569987605229
Energy: 0.48355511927051303

minimum gb energy = 0.3466894568816666 eV
minimum distance =  2.63166832170217 Angstroms
sigma value = 57


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

Energy: 0.6345536266438436
Energy: 0.5638942049410521
Energy: 0.4151889776229298
Energy: 0.39680604730467745
Energy: 0.5982016978440422
Energy: 0.4113068579416987
Energy: 0.45927788110441686
Energy: 0.43122689402676684
Energy: 0.38220358620330197
Energy: 0.43611483440163595
Energy: 0.4314056481950811
Energy: 0.3967793387377479
Energy: 0.4965715895814149
Energy: 0.39288382821964957
Energy: 0.3949155122933245
Energy: 0.45713689053841
Energy: 0.39261171140240175
Energy: 0.400334746113115
Energy: 0.42986507053289585
Energy: 0.3960815690403513
Energy: 0.3924423551063874
Energy: 0.43047825224169306
Energy: 0.33476363339461296
Energy: 0.3958629685012299
Energy: 0.37101878142898964
Energy: 0.37984671775795575
Energy: 0.3993079237368935
Energy: 0.37150410571686493
Energy: 0.3778537119205616
Energy: 0.39526837890221267
Energy: 0.35354365114026337
Energy: 0.3759058679132095
Energy: 0.3548421907066718
Energy: 0.37874380783548367
Energy: 0.3758328242587962
Energy: 0.3944218095612141
Energy: 0.40463468969406224
Energy: 0.37906135854167744
Energy: 0.3756828046694042
Energy: 0.3526697328985059
Energy: 0.37844990162889064
Energy: 0.38227153160015337
Energy: 0.4537661476537715
Energy: 0.3816116658103769
Energy: 0.37977212298328494
Energy: 0.351261513303161
Energy: 0.3781150815270755
Energy: 0.387874886700211
Energy: 0.3448409091372618
Energy: 0.37156269413397575
Energy: 0.34319673542617396
Energy: 0.34586185332027203
Energy: 0.3288170696915231
Energy: 0.34304695189166595
Energy: 0.34325304103320675
Energy: 0.3814493428876115
Energy: 0.38162538335605767
Energy: 0.3433523274609106
Energy: 0.4084431689676619
Energy: 0.3820586554744663
Energy: 0.33116673516520584
Energy: 0.32843560104307545
Energy: 0.32992430444364906
Energy: 0.37905563776213846
Energy: 0.3283741004107497
Energy: 0.3796387191464806
Energy: 0.34547190313970505
Energy: 0.33244588821537924
Energy: 0.3282869947908384
Energy: 0.3461478642791995
Energy: 0.3332468227593547
Energy: 0.35762647497683014
Energy: 0.32848670226524024
Energy: 0.4010724123393925
Energy: 0.38896041320602476
Energy: 0.329292228790713
Energy: 0.40369284622808427
Energy: 0.37928658742567123
Energy: 0.3280594856987093
Energy: 0.3783925263079129
Energy: 0.3279142589959342
Energy: 0.3290567503016393
Energy: 0.3359069976893181
Energy: 0.32808582142707154
Energy: 0.3283317360439757
Energy: 0.37727887937622256
Energy: 0.37726562570180266
Energy: 0.32820639239016697
Energy: 0.39020190434208757
Energy: 0.37724792807040664
Energy: 0.3986313100416397
Energy: 0.3435352552237353
Energy: 0.3808633583688412
Energy: 0.40985688966179096
Energy: 0.3488252535569589
Energy: 0.3803817451939384
Energy: 0.32926452991114835
Energy: 0.3430647594135727
Energy: 0.3432313611209899
Energy: 0.3516495548392492
Energy: 0.34713635969646883
Energy: 0.3703625444780482
Energy: 0.3298270380540155
Energy: 0.3449967856353298
Energy: 0.3904286590212168
Energy: 0.3300733411526576
Energy: 0.3479007978537779
Energy: 0.39291443958293865
Energy: 0.3754710247727976
Energy: 0.38259533504639437
Energy: 0.3752876085004756
Energy: 0.3763022180120409
Energy: 0.3506621896384476
Energy: 0.375509722188302
Energy: 0.4751607610415697
Energy: 0.3899158053472216
Energy: 0.3770280154755154
Energy: 0.475638293851022
Energy: 0.3885759126336575
Energy: 0.4011840147075639
Energy: 0.47549876502283656
Energy: 0.37985174664515364
Energy: 0.3992362313623468
Energy: 0.37639582764702334
Energy: 0.4331837988665866
Energy: 0.4018841268407602
Energy: 0.3283702702318855
Energy: 0.4330606180909751
Energy: 0.3756289671586406
Energy: 0.38549107532701704
Energy: 0.43869181569574367
Energy: 0.3791406550372775
Energy: 0.3460906436435029
Energy: 0.43730529434000787
Energy: 0.43077876422493694
Energy: 0.3466150133762556
Energy: 0.45432387039007927
Energy: 0.42775358409507197
Energy: 0.4723611872925018
Energy: 0.375404653770996
Energy: 0.39183557322087276
Energy: 0.4295306575050841
Energy: 0.38216242472843037
Energy: 0.40047334568881304
Energy: 0.5097640793658262
Energy: 0.3927722915573528
Energy: 0.3791662013037727
Energy: 0.5102034597914259
Energy: 0.3932344923926676
Energy: 0.43240072320273865
Energy: 0.5011634764392704
Energy: 0.4365633718245243
Energy: 0.43080449697985523
Energy: 0.43356475059672633
Energy: 0.4338727163855417
Energy: 0.3997270451317799
Energy: 0.33135336227114615
Energy: 0.4531037213649455
Energy: 0.3960905659198191
Energy: 0.3931006796731792
Energy: 0.456929515431507
Energy: 0.3957206165839511

minimum gb energy = 0.3279142589959342 eV
minimum distance =  2.63189909976174 Angstroms
sigma value = 43


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

Energy: 0.5886804773765163
Energy: 0.44121674309740694
Energy: 0.3767303531060965
Energy: 0.340412140082205
Energy: 0.4206079173075309
Energy: 0.37568288859160365
Energy: 0.4032427887712686
Energy: 0.3459189862408233
Energy: 0.35522790500961327
Energy: 0.38728596822465067
Energy: 0.3465938233664077
Energy: 0.3596559688773272
Energy: 0.43334847580352553
Energy: 0.33295232194708885
Energy: 0.34798169378057014
Energy: 0.43351620893518356
Energy: 0.3330271913455402
Energy: 0.33877237467284793
Energy: 0.38324764268827993
Energy: 0.3475420826824005
Energy: 0.3386547488241377
Energy: 0.3830427742213567
Energy: 0.31893400510574843
Energy: 0.36095611866521843
Energy: 0.39396974200055707
Energy: 0.3435374755417964
Energy: 0.35695617142020847
Energy: 0.39383240232533884
Energy: 0.34524143033366256
Energy: 0.3591968958989144
Energy: 0.30205658576122907
Energy: 0.3434224389655783
Energy: 0.33774242596904075
Energy: 0.32398616847840667
Energy: 0.3433354803710513
Energy: 0.3337460738905649
Energy: 0.401529110169632
Energy: 0.3437143120108997
Energy: 0.3435956792154234
Energy: 0.361876047321188
Energy: 0.3461499291017918
Energy: 0.33654067032279195
Energy: 0.39965408348744585
Energy: 0.32310221268900463
Energy: 0.33338033175418985
Energy: 0.37116722327227286
Energy: 0.32318905355008465
Energy: 0.32894973630397023
Energy: 0.3153690085081963
Energy: 0.3320119552920397
Energy: 0.3137437433499803
Energy: 0.31615435836101163
Energy: 0.2869481761326667
Energy: 0.3139688173853859
Energy: 0.30246888474507677
Energy: 0.33778090651859244
Energy: 0.32602874831426687
Energy: 0.3139908621906187
Energy: 0.29618215123763086
Energy: 0.33296345566171187
Energy: 0.27725289124107927
Energy: 0.2948757122623711
Energy: 0.2950973441712537
Energy: 0.3194808511554154
Energy: 0.2948523867549142
Energy: 0.3192866128880117
Energy: 0.38191525526504744
Energy: 0.2949708888737363
Energy: 0.29509064798853113
Energy: 0.3826826798129812
Energy: 0.29495550059966685
Energy: 0.3284332475085155
Energy: 0.3801218043152982
Energy: 0.32669291653456384
Energy: 0.32717425687485546
Energy: 0.38138641690182107
Energy: 0.32561896311316224
Energy: 0.3362964601759317
Energy: 0.28361157701610934
Energy: 0.34817699449912276
Energy: 0.28323966168419007
Energy: 0.2846837250221357
Energy: 0.33404341965560747
Energy: 0.28330331963070354
Energy: 0.28312949839384666
Energy: 0.3156362107376653
Energy: 0.3155802745941641
Energy: 0.2830162868453593
Energy: 0.3263474074818053
Energy: 0.315313108120398
Energy: 0.2788979201565421
Energy: 0.27808168669503214
Energy: 0.2777837531656249
Energy: 0.3264150583428381
Energy: 0.27835363758529547
Energy: 0.32019064742447284
Energy: 0.28529063185955483
Energy: 0.2780429555202077
Energy: 0.2778597901352006
Energy: 0.28613924359564535
Energy: 0.278178593785269
Energy: 0.3191400825288527
Energy: 0.3312192868897678
Energy: 0.3251930128902562
Energy: 0.316797868341576
Energy: 0.2785585951519239
Energy: 0.33107446622694064
Energy: 0.3237315871466274
Energy: 0.27802840271845813
Energy: 0.3508488737090387
Energy: 0.27804035418692435
Energy: 0.2791483508801146
Energy: 0.3770292478000766
Energy: 0.27806532426397296
Energy: 0.3741716657229773
Energy: 0.3303793402465727
Energy: 0.321155734925486
Energy: 0.3752500904770241
Energy: 0.3317995337383425
Energy: 0.3287538350346945
Energy: 0.29632666018698445
Energy: 0.2836359445260796
Energy: 0.2833113229951581
Energy: 0.3141055669104417
Energy: 0.28353172692089645
Energy: 0.32136218142461065
Energy: 0.28023481835039615
Energy: 0.2836292158639223
Energy: 0.28314415176102087
Energy: 0.32180226419220304
Energy: 0.28370813636056463
Energy: 0.3215352504777451
Energy: 0.29460514599681575
Energy: 0.30500251613844076
Energy: 0.32004834539861254
Energy: 0.2945264746144693
Energy: 0.3135828214450996
Energy: 0.31949131992061514
Energy: 0.29506244545280075
Energy: 0.35560271887394457
Energy: 0.2947725718033052
Energy: 0.29578406248049877
Energy: 0.28399811133249236
Energy: 0.29493384719279736
Energy: 0.3880000123462777
Energy: 0.33003724283567315
Energy: 0.32479156546338717
Energy: 0.3891204856079791
Energy: 0.3285299604836731
Energy: 0.33627752806760297
Energy: 0.3901050526190785
Energy: 0.31404690051148426
Energy: 0.3140122578094878
Energy: 0.372065000826562
Energy: 0.314084729232264
Energy: 0.3309338475416522
Energy: 0.27860637502587066
Energy: 0.3139592586951407
Energy: 0.3137441764336739
Energy: 0.32141091199675664
Energy: 0.31384824416546137
Energy: 0.32590101441294367
Energy: 0.32728319147899043
Energy: 0.31405271767376486
Energy: 0.34145870740298817
Energy: 0.3596659415139433
Energy: 0.316228884768709
Energy: 0.34074767132791783
Energy: 0.3447599204322331
Energy: 0.33960170286831554
Energy: 0.343244521625834
Energy: 0.3456988178281855
Energy: 0.29443662511232604
Energy: 0.3433021469552459
Energy: 0.41766585635468656
Energy: 0.3280873865632669
Energy: 0.340793469280022
Energy: 0.4192234791496493
Energy: 0.3280927520576352
Energy: 0.3386894117858798
Energy: 0.41331029271983954
Energy: 0.3439013863404901
Energy: 0.35543063367653266
Energy: 0.34347393813307375
Energy: 0.34530962604296106
Energy: 0.3563738001265644
Energy: 0.3583958793349523
Energy: 0.38898766205493013
Energy: 0.3433046565756663
Energy: 0.3289457382075402
Energy: 0.3888393064595796
Energy: 0.333264018770332
Energy: 0.39986493977742504
Energy: 0.3878491592570404
Energy: 0.38720549328318526
Energy: 0.3997941991368676
Energy: 0.39086343931744805
Energy: 0.39298183463779107
Energy: 0.4173385932940141
Energy: 0.3592352093767027
Energy: 0.34936892297890315
Energy: 0.38388799809627194
Energy: 0.3365367176289033
Energy: 0.38747887008507675
Energy: 0.43637263244661256
Energy: 0.34146841869410305
Energy: 0.35679411288037305
Energy: 0.405150339336203
Energy: 0.3423126757697928
Energy: 0.35669641940863644
Energy: 0.41820073590044393
Energy: 0.38748964476514813
Energy: 0.3874706214080028
Energy: 0.3876900322355957
Energy: 0.3903742391035163
Energy: 0.39381988530194817

minimum gb energy = 0.27725289124107927 eV
minimum distance =  2.62712419517822 Angstroms
sigma value = 81


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

Energy: 0.03149998433097165
Energy: 0.03185523129210602
Energy: 0.03196867032371515
Energy: 0.03291192478901422
Energy: 0.032402287151613064
Energy: 0.03180709304483597
Energy: 0.05696904500737268
Energy: 0.0320416584987131
Energy: 0.032118890938438935
Energy: 0.056652152164366344
Energy: 0.033317098748243616
Energy: 0.032170012801863754
Energy: 0.055690165992268184
Energy: 0.031831265606129075
Energy: 0.03197365099144342
Energy: 0.055804825372591155
Energy: 0.031738904687634656
Energy: 0.05608582883037766
Energy: 0.03380612648350206
Energy: 0.03178821964096328
Energy: 0.03194991590948759
Energy: 0.03287792901865085
Energy: 0.031875130221074834
Energy: 0.05644208187860782
Energy: 0.05608994753136423
Energy: 0.055709644109282426
Energy: 0.05568793276600675
Energy: 0.056781444027879394
Energy: 0.055692415614863405
Energy: 0.05587001823599725
Energy: 0.03216338093227789
Energy: 0.03205185603926256
Energy: 0.03174908802775864
Energy: 0.03307372501091316
Energy: 0.0320981022949194
Energy: 0.03196156904508088
Energy: 0.056191508489686286
Energy: 0.0319750516072672
Energy: 0.032030057615090674
Energy: 0.055910885910201526
Energy: 0.03222135057795889
Energy: 0.03210046782228694
Energy: 0.05574452510269571
Energy: 0.03176338952044374
Energy: 0.03183580940276578
Energy: 0.05562646143353576
Energy: 0.031788034100292205
Energy: 0.05701124450646526
Energy: 0.03264917288878284
Energy: 0.03200362055615615
Energy: 0.05760221063310913
Energy: 0.03272869324399085
Energy: 0.031825905995991194
Energy: 0.05747522187220551
Energy: 0.03184134531258504
Energy: 0.0556854144738594
Energy: 0.05573157257540845
Energy: 0.03216167904959537
Energy: 0.05565957183643364
Energy: 0.05572413788083086

minimum gb energy = 0.03149998433097165 eV
minimum distance =  2.82225419123688 Angstroms
sigma value = 3


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

Energy: 0.3810692390131614
Energy: 0.372515126586909
Energy: 0.3709008262687556
Energy: 0.3276149376497681
Energy: 0.3724363766379358
Energy: 0.3458244274092538
Energy: 0.36885613766092135
Energy: 0.3641806215347558
Energy: 0.363928922722771
Energy: 0.35682521785545346
Energy: 0.36783767238526094
Energy: 0.3755421073421509
Energy: 0.3567386131430614
Energy: 0.34056909703537686
Energy: 0.34053124100651094
Energy: 0.35779500164128586
Energy: 0.34127714682501964
Energy: 0.3745926823438471
Energy: 0.33899368493500165
Energy: 0.3630688587454352
Energy: 0.36297794777834363
Energy: 0.3385202128408843
Energy: 0.3066259639051105
Energy: 0.37411996244763124
Energy: 0.30922251486448016
Energy: 0.36395094337205536
Energy: 0.3758109558798677
Energy: 0.30919590058401747
Energy: 0.3676932969256944
Energy: 0.3756892652377069
Energy: 0.35795694145006596
Energy: 0.3757728904138664
Energy: 0.33387007469612295
Energy: 0.28842008614485004
Energy: 0.3751427700207798
Energy: 0.3079260519740294
Energy: 0.35339536088316786
Energy: 0.3136925931588382
Energy: 0.3135493705242699
Energy: 0.35354261148327476
Energy: 0.3165736315649142
Energy: 0.34482124905873046
Energy: 0.3370302012955574
Energy: 0.3351468093229786
Energy: 0.335363144531857
Energy: 0.3370375731799489
Energy: 0.3420285020889131
Energy: 0.3097356282942926
Energy: 0.3548589227470955
Energy: 0.35528746677251605
Energy: 0.32732956291326437
Energy: 0.36632817447992894
Energy: 0.2893758933930966
Energy: 0.327167698073354
Energy: 0.2919005885675238
Energy: 0.3128235083752721
Energy: 0.3125971147130145
Energy: 0.2919763397713
Energy: 0.3149438908250681
Energy: 0.3323008693465647
Energy: 0.2757620259449247
Energy: 0.31514667249588285
Energy: 0.3143022303479967
Energy: 0.27511959904197064
Energy: 0.27738928317787104
Energy: 0.3226143636004301
Energy: 0.29106048686847186
Energy: 0.3582118477018182
Energy: 0.35709329521479355
Energy: 0.2909833628768409
Energy: 0.35387573569432124
Energy: 0.2908056304991068
Energy: 0.2919033292002185
Energy: 0.3367662880804556
Energy: 0.34512671295587044
Energy: 0.2924260921031315
Energy: 0.30804306255146974
Energy: 0.2926535512012116
Energy: 0.36389991866337257
Energy: 0.2774469512769398
Energy: 0.34643330105151066
Energy: 0.29389624717024404
Energy: 0.27706643672400594
Energy: 0.34613222386387105
Energy: 0.26942975140975356
Energy: 0.27605552712239245
Energy: 0.27593846936380434
Energy: 0.26956405514934195
Energy: 0.2782733065977381
Energy: 0.27583902122780596
Energy: 0.27031230378529103
Energy: 0.3385139464087348
Energy: 0.3391150104117367
Energy: 0.33810748828411086
Energy: 0.3410668989613142
Energy: 0.33967565739118877
Energy: 0.2723440972237375
Energy: 0.34143620458560797
Energy: 0.3396524915892627
Energy: 0.268315202762876
Energy: 0.3378543814429907
Energy: 0.2684764406785115
Energy: 0.26877694203231284
Energy: 0.33621243986464305
Energy: 0.34140879322430906
Energy: 0.2689203462275984
Energy: 0.3098645410838223
Energy: 0.30695819632665033
Energy: 0.3534670201068412
Energy: 0.30812622503967074
Energy: 0.3399901465623205
Energy: 0.3068181915412188
Energy: 0.2692963849167324
Energy: 0.34064519250801967
Energy: 0.34162766685527296
Energy: 0.2683177015930673
Energy: 0.26829427995667354
Energy: 0.3424265425943593
Energy: 0.27134009547428806
Energy: 0.26825766930744527
Energy: 0.3406396857612394
Energy: 0.33803269209187
Energy: 0.3383513249780298
Energy: 0.34164322027881877
Energy: 0.2700557496593121
Energy: 0.33816779955414894
Energy: 0.277738533151109
Energy: 0.3378560706769349
Energy: 0.30972256386353886
Energy: 0.2775326861773424
Energy: 0.3483337004608417
Energy: 0.27623054662341984
Energy: 0.2762784402157478
Energy: 0.34574032209127414
Energy: 0.34610150192967704
Energy: 0.27637080858430596
Energy: 0.3471384440283639
Energy: 0.3455068876052142
Energy: 0.2706522416757365
Energy: 0.29359941873993023
Energy: 0.29263366725187767
Energy: 0.3409234178227146
Energy: 0.2936913688974669
Energy: 0.33901557721528863
Energy: 0.2770229621006626
Energy: 0.29102052298165093
Energy: 0.290820010545567
Energy: 0.27691097657637975
Energy: 0.29313501721528196
Energy: 0.29079448968068444
Energy: 0.27716569949660047
Energy: 0.3490485548998187
Energy: 0.34884013081445375
Energy: 0.2768574192268985
Energy: 0.3383391467844897
Energy: 0.31531592397859465
Energy: 0.31441547935176306
Energy: 0.348674474464127
Energy: 0.3485951028767729
Energy: 0.31447936049019487
Energy: 0.280770511551818
Energy: 0.3127956655034147
Energy: 0.29953669407578304
Energy: 0.33260086478712053
Energy: 0.3645236077702669
Energy: 0.29951108735750503
Energy: 0.32540815041211446
Energy: 0.3654460687171324
Energy: 0.35133988013047907
Energy: 0.33659042973060455
Energy: 0.3247879991413756
Energy: 0.28130150652930624
Energy: 0.3368323638192572
Energy: 0.29856758825913915
Energy: 0.3131463907264037
Energy: 0.33628586503498803
Energy: 0.3469213686091105
Energy: 0.3129711909958381
Energy: 0.34034595972400605
Energy: 0.34580141271476017
Energy: 0.3449022180244705
Energy: 0.32011717042818805
Energy: 0.3202325184379358
Energy: 0.3451537207112283
Energy: 0.29724370034568803
Energy: 0.32045183596542764
Energy: 0.37610896728236887
Energy: 0.3607789717069663
Energy: 0.36479100258114117
Energy: 0.37642244733292946
Energy: 0.2971264031337511
Energy: 0.3770820484018229
Energy: 0.3187555023981586
Energy: 0.3360329089305325
Energy: 0.33577180762025055
Energy: 0.3187569531927675
Energy: 0.33946851578244586
Energy: 0.35131700919912234

minimum gb energy = 0.26825766930744527 eV
minimum distance =  2.64433432218071 Angstroms
sigma value = 67


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

Energy: 0.46278793693701675
Energy: 0.40308345240139415
Energy: 0.44189054702540004
Energy: 0.34734311243841376
Energy: 0.4071633211578921
Energy: 0.44612789310710804
Energy: 0.44894102908490097
Energy: 0.4361409258382197
Energy: 0.4307496353315526
Energy: 0.4334017021679196
Energy: 0.43678640201455343
Energy: 0.39770859364976424
Energy: 0.43116819509384624
Energy: 0.42287111535452593
Energy: 0.43641265433698156
Energy: 0.43121017200553274
Energy: 0.39710392890005997
Energy: 0.4365838037511058
Energy: 0.3955860902693588
Energy: 0.4364219429252589
Energy: 0.43668159936053963
Energy: 0.39604141757672534
Energy: 0.35566932476605806
Energy: 0.4367339964641167
Energy: 0.39382291100001016
Energy: 0.43604800532069293
Energy: 0.3948243474934779
Energy: 0.39387661003420893
Energy: 0.43592125716178426
Energy: 0.3592329775961853
Energy: 0.33662535320586123
Energy: 0.3916975247572887
Energy: 0.3936116939141961
Energy: 0.3601089314725409
Energy: 0.3968749961009666
Energy: 0.39249955315783364
Energy: 0.39946211912682494
Energy: 0.3589391264479821
Energy: 0.35879511717685336
Energy: 0.39920369986518606
Energy: 0.3596653877869357
Energy: 0.35953776199478793
Energy: 0.4130142257165014
Energy: 0.41396878721015645
Energy: 0.4181657710282476
Energy: 0.39595140582612204
Energy: 0.33952888071693255
Energy: 0.3596653314204185
Energy: 0.4256030204275206
Energy: 0.37077251332157973
Energy: 0.3821950161664302
Energy: 0.37255036537290287
Energy: 0.35801381611570776
Energy: 0.3823681372959045
Energy: 0.3397542312632416
Energy: 0.36093167995694153
Energy: 0.35829093606714213
Energy: 0.3395158806495708
Energy: 0.3594115144809304
Energy: 0.3581770579825635
Energy: 0.33977346893170596
Energy: 0.41997567079104975
Energy: 0.4195822026407299
Energy: 0.33978743474090767
Energy: 0.41455287629876614
Energy: 0.42018786003731
Energy: 0.3425225106207402
Energy: 0.41389881459528793
Energy: 0.4130222402310005
Energy: 0.3408256377005117
Energy: 0.36028224706320516
Energy: 0.3384096757537403
Energy: 0.34227229381086144
Energy: 0.41399562734589795
Energy: 0.4114934380697451
Energy: 0.3427185945110328
Energy: 0.3404858224217097
Energy: 0.3386483913590328
Energy: 0.37531867645986616
Energy: 0.3814697869689011
Energy: 0.4109221522414247
Energy: 0.3396471193639039
Energy: 0.3771980737325863
Energy: 0.4110250805302577
Energy: 0.37796707165857635
Energy: 0.3406650122135694
Energy: 0.3388172930725763
Energy: 0.3781728260678984
Energy: 0.3394294478565245
Energy: 0.3391917985027333
Energy: 0.4101212395157533
Energy: 0.4190615820317631
Energy: 0.4159598929224836
Energy: 0.3419517870647347
Energy: 0.3387241341764983
Energy: 0.4149299873974524
Energy: 0.3670279087942049
Energy: 0.416869677113363
Energy: 0.4127893386222178
Energy: 0.36057254356408747
Energy: 0.3348592816453104
Energy: 0.3577776808104434
Energy: 0.3590933735478541
Energy: 0.42202580233286285
Energy: 0.42448214544792884
Energy: 0.35908897345438473
Energy: 0.36080833743401963
Energy: 0.3589125620812357
Energy: 0.3350528699775525
Energy: 0.3398531840687187
Energy: 0.37393588878063533
Energy: 0.34595467659455986
Energy: 0.34034917114876223
Energy: 0.39166173998597326
Energy: 0.3586243273645657
Energy: 0.39675724424801173
Energy: 0.35962041408717127
Energy: 0.35878104938493705
Energy: 0.3972832596957558
Energy: 0.36018360284140627
Energy: 0.4018063673262112
Energy: 0.344263658984658
Energy: 0.3452436527245729
Energy: 0.40231765165316435
Energy: 0.34205790785688606
Energy: 0.3446785909960498
Energy: 0.4307271936338356
Energy: 0.4173788074630185
Energy: 0.34534905147943473
Energy: 0.4318520148872082
Energy: 0.4173902392778584
Energy: 0.342756177004508
Energy: 0.4216678744330143
Energy: 0.3955429384162225
Energy: 0.3938172550004847
Energy: 0.41120400098332355
Energy: 0.39727573584637227
Energy: 0.3598889364515517

minimum gb energy = 0.3348592816453104 eV
minimum distance =  2.62184613762409 Angstroms
sigma value = 33


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

Energy: 0.649695697890893
Energy: 0.4296530386605095
Energy: 0.4033940146055537
Energy: 0.4741318196368107
Energy: 0.4304981594993901
Energy: 0.4738909503161899
Energy: 0.48636781934282564
Energy: 0.42091170567124236
Energy: 0.4213862825320652
Energy: 0.4201686105010634
Energy: 0.4209232539980878
Energy: 0.43135831566332905
Energy: 0.48017426181663825
Energy: 0.40572888698984494
Energy: 0.423722525382998
Energy: 0.47907206504821764
Energy: 0.4661992230300294
Energy: 0.4193221983606855
Energy: 0.4210619549757286
Energy: 0.42310311921740207
Energy: 0.42356960333852633
Energy: 0.42130662400414803
Energy: 0.4178476132917798
Energy: 0.4242668177274931
Energy: 0.41972731526599677
Energy: 0.4206465598780144
Energy: 0.38706075398925954
Energy: 0.4198044518957281
Energy: 0.4205308631555525
Energy: 0.43378635374154895
Energy: 0.382094746318438
Energy: 0.38773563633473257
Energy: 0.4257261296735035
Energy: 0.3815538796699462
Energy: 0.3876660923622269
Energy: 0.452999974206626
Energy: 0.4203460293472973
Energy: 0.4344000866160746
Energy: 0.38387323166911674
Energy: 0.42023481857651523
Energy: 0.3833066766099259
Energy: 0.4248147019515293
Energy: 0.4278884397793834
Energy: 0.38239792389511096
Energy: 0.3857475522024655
Energy: 0.4286547218871454
Energy: 0.38584480530000986
Energy: 0.42088384828237413
Energy: 0.4522913638189705
Energy: 0.46124565886504265
Energy: 0.4606532191711127
Energy: 0.38757690831957065
Energy: 0.3827598547545008
Energy: 0.4630640669548127
Energy: 0.41927427053683786
Energy: 0.38342719783419793
Energy: 0.38356761785076
Energy: 0.4191676762491704
Energy: 0.38348556574593673
Energy: 0.38307378053573876
Energy: 0.4182890793305414
Energy: 0.4262548692679717
Energy: 0.45484066619061064
Energy: 0.3842534023552964
Energy: 0.38334411358324244
Energy: 0.4536783102752079
Energy: 0.38272828791542873
Energy: 0.38318554479118727
Energy: 0.4130380607641337
Energy: 0.38251015530913623
Energy: 0.39146932250039396
Energy: 0.3835788514559569
Energy: 0.38235223509219735
Energy: 0.38760519683772326
Energy: 0.4622998618585638
Energy: 0.3823222937774498
Energy: 0.38830986632425224
Energy: 0.38290190642342464
Energy: 0.37127850592484146
Energy: 0.40939957236125374
Energy: 0.3868926897932586
Energy: 0.37440032087812647
Energy: 0.4111914538038703
Energy: 0.4579387676330533
Energy: 0.37167254186517223
Energy: 0.42070073227501775
Energy: 0.3877163423821642
Energy: 0.37167944696054805
Energy: 0.42109832277617354
Energy: 0.42350728992713144
Energy: 0.38835109572581933
Energy: 0.37153465967445404
Energy: 0.3715768647269229
Energy: 0.3887962351676917
Energy: 0.39096716802908926
Energy: 0.42444644750305816
Energy: 0.49250527599214716
Energy: 0.3915082669693943
Energy: 0.3750030164320605
Energy: 0.4775140966271159
Energy: 0.39157953136634177
Energy: 0.45036661881961726
Energy: 0.49302191920623745
Energy: 0.41999456731915297
Energy: 0.4203674435390792
Energy: 0.4236680651124493
Energy: 0.4230739577025978
Energy: 0.47523811441828584
Energy: 0.3930700911687962
Energy: 0.4214678623470896
Energy: 0.3917470055098982
Energy: 0.39759290727717767
Energy: 0.42110115197285924
Energy: 0.44891220873494647
Energy: 0.44503608734279243
Energy: 0.42102477279234457
Energy: 0.4215697409213436
Energy: 0.4452262500157261
Energy: 0.42093942511093396
Energy: 0.4225867512438745
Energy: 0.4815404706318788
Energy: 0.4053805428180149
Energy: 0.42322572377113554
Energy: 0.48162058466373714
Energy: 0.42681523004862737
Energy: 0.4227976177439693
Energy: 0.42038672610651817
Energy: 0.40573012852165496
Energy: 0.423726040985669
Energy: 0.42039647189255075
Energy: 0.4394035609669922
Energy: 0.4243953811713652
Energy: 0.4198107093965116
Energy: 0.42099429963127033
Energy: 0.3872140453045194
Energy: 0.41976890324004945
Energy: 0.42080788314231987
Energy: 0.43412903159074473
Energy: 0.3810783992104863
Energy: 0.38772932302396534
Energy: 0.38638011572601766
Energy: 0.3821041864354724
Energy: 0.38788669602162623
Energy: 0.45940139526722157
Energy: 0.4200963567769304
Energy: 0.38335012176314626
Energy: 0.4337070906970629
Energy: 0.42013365732559244
Energy: 0.38477438298790617
Energy: 0.4240218728082342
Energy: 0.42771098595821794
Energy: 0.3824478739432495
Energy: 0.3861949037764407
Energy: 0.42741876306550186
Energy: 0.3853325250978076
Energy: 0.42177618852095483
Energy: 0.45309271158342546
Energy: 0.43178062568500575
Energy: 0.4603529037394583
Energy: 0.4543727183261554
Energy: 0.38280298964714554
Energy: 0.4640561103248392
Energy: 0.41794978501700014
Energy: 0.3833589864150606
Energy: 0.3831758310237684
Energy: 0.4182544217584173
Energy: 0.3836658884260427
Energy: 0.38313313263066084
Energy: 0.41918137443584824
Energy: 0.38287407436737164
Energy: 0.4560210474729927
Energy: 0.38522493647788364
Energy: 0.3823875111085613
Energy: 0.4546466273709747
Energy: 0.3830293014289457
Energy: 0.3825867563015821
Energy: 0.4560027403337512
Energy: 0.38290502654347197
Energy: 0.39286897889744915
Energy: 0.38388964297182604
Energy: 0.3836731699595072
Energy: 0.4603149692578117
Energy: 0.3830888127473609
Energy: 0.38386188344055144
Energy: 0.38732603654606107
Energy: 0.3827911506667254
Energy: 0.3714474881693823
Energy: 0.38679481328116244
Energy: 0.3870101155828655
Energy: 0.37396769090005755
Energy: 0.4241502782381261
Energy: 0.45684705083667526
Energy: 0.37186123690617473
Energy: 0.42079291430086563
Energy: 0.3876726482354322
Energy: 0.37191215173044806
Energy: 0.421579778254963
Energy: 0.4239112694378694
Energy: 0.423672097324794
Energy: 0.4404918402165701
Energy: 0.42385217493316774
Energy: 0.42448410048110624
Energy: 0.3910278811228588
Energy: 0.4242988139518535
Energy: 0.4973104444282752
Energy: 0.3917419518088556
Energy: 0.3715541178207571
Energy: 0.4951750762788934
Energy: 0.37059933402099504
Energy: 0.41257693146676466
Energy: 0.49275182724766503
Energy: 0.4197986753946125
Energy: 0.4202582372959703
Energy: 0.42315306632519784
Energy: 0.4198729442447627
Energy: 0.38779489156266145
Energy: 0.38993302297365234
Energy: 0.42096375803203967
Energy: 0.3927724833602806
Energy: 0.3956692352399342
Energy: 0.42659330195173345
Energy: 0.4488013142134246

minimum gb energy = 0.37059933402099504 eV
minimum distance =  2.63039296749068 Angstroms
sigma value = 41


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

Energy: 0.5968313585955501
Energy: 0.4726633765329234
Energy: 0.5615396190864412
Energy: 0.523440159582035
Energy: 0.4732378139707718
Energy: 0.5606960009422197
Energy: 0.5168075608225011
Energy: 0.45056459800361254
Energy: 0.45095999345396337
Energy: 0.4599323010446235
Energy: 0.4504530201234723
Energy: 0.4505167623081736
Energy: 0.5283190181015325
Energy: 0.47264563348931954
Energy: 0.43966049504384963
Energy: 0.5293379641281771
Energy: 0.4497115068365147
Energy: 0.44774405831451064
Energy: 0.461269985149213
Energy: 0.4870895983908478
Energy: 0.4705850571866634
Energy: 0.4613032449056964
Energy: 0.44798772123080327
Energy: 0.45982526274928215
Energy: 0.4493464547428258
Energy: 0.44965920416339916
Energy: 0.4503923154955172
Energy: 0.4491788845758044
Energy: 0.46108634726225645
Energy: 0.43964821856307706
Energy: 0.4708936564839875
Energy: 0.4551555351043704
Energy: 0.47106027912296733
Energy: 0.46620201367786773
Energy: 0.4550678797865167
Energy: 0.47159267124573123
Energy: 0.4479331126096297
Energy: 0.4722604551995662
Energy: 0.44788158848901244
Energy: 0.4478782300993209
Energy: 0.47280763691099675
Energy: 0.4485192034241522
Energy: 0.44829065576314675
Energy: 0.4714948371992792
Energy: 0.4722138163702497
Energy: 0.4490630316354535
Energy: 0.47190146492023277
Energy: 0.4479088677060882
Energy: 0.5017346873948331
Energy: 0.515507342712026
Energy: 0.513364559784316
Energy: 0.5026675539112813
Energy: 0.4483571000768232
Energy: 0.472531041334065
Energy: 0.4748454507368009
Energy: 0.45138423386643606
Energy: 0.447727234802342
Energy: 0.47481058421750266
Energy: 0.4485899681351618
Energy: 0.4387756673648073
Energy: 0.4662722014303499
Energy: 0.4499992074732517
Energy: 0.4393594297239615
Energy: 0.4662699143701094
Energy: 0.42544117109063107
Energy: 0.47205681243401404
Energy: 0.5164643688036342
Energy: 0.425626627433891
Energy: 0.4937582573035185
Energy: 0.5169537500938448
Energy: 0.42573882368314403
Energy: 0.49280330491963437
Energy: 0.5172109551149537
Energy: 0.4494750696042666
Energy: 0.46096487973968114
Energy: 0.517276594004533
Energy: 0.44975479014479647
Energy: 0.4503946594764548
Energy: 0.4256966619457848
Energy: 0.44862492510951757
Energy: 0.4269137599234473
Energy: 0.4296833102251228
Energy: 0.44851838523604115
Energy: 0.43441197854516245

minimum gb energy = 0.42544117109063107 eV
minimum distance =  2.63712380239209 Angstroms
sigma value = 11


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

Energy: 0.7471512925208523
Energy: 0.6189342776934518
Energy: 0.5571935231066162
Energy: 0.5955859593947498
Energy: 0.6140760033364476
Energy: 0.5947866694128523
Energy: 0.593295945392138
Energy: 0.49068814442674324
Energy: 0.49098400139468595
Energy: 0.5395246763068937
Energy: 0.4912231664312091
Energy: 0.49125936252031505
Energy: 0.5932643920590847
Energy: 0.5312515318313324
Energy: 0.5238209651820324
Energy: 0.5941666642898221
Energy: 0.49092895495422345
Energy: 0.5364611340144352
Energy: 0.5299419288252398
Energy: 0.47962852390703326
Energy: 0.510365278038836
Energy: 0.5274259085708413
Energy: 0.47993925392022363
Energy: 0.5093187424144909
Energy: 0.5274587979527237
Energy: 0.49130574364268853
Energy: 0.4911437177337005
Energy: 0.5274824058702621
Energy: 0.49907745893576433
Energy: 0.49197785318221665
Energy: 0.5418830902355349
Energy: 0.4972439374656589
Energy: 0.49719219643163
Energy: 0.5017718250081932
Energy: 0.4969549479996695
Energy: 0.4975402366869722
Energy: 0.4969683860169271
Energy: 0.5489533804712299
Energy: 0.4974544778582787
Energy: 0.4969700172919651
Energy: 0.52763081547203
Energy: 0.49714331766088443
Energy: 0.4997329466405025
Energy: 0.5332976314911868
Energy: 0.4920416020080012
Energy: 0.49989578049480204
Energy: 0.5272160907364263
Energy: 0.4911075547498691
Energy: 0.5080673092196594
Energy: 0.5388221009477547
Energy: 0.5335172519309579
Energy: 0.5027221896933636
Energy: 0.5274594454487403
Energy: 0.48168054672284905
Energy: 0.4951883500311763
Energy: 0.5438819226301274
Energy: 0.5335985210621118
Energy: 0.5042999010919038
Energy: 0.6008162844862832
Energy: 0.48246218031116594
Energy: 0.499437578630671
Energy: 0.5059836835636805
Energy: 0.4919250181848031
Energy: 0.4999372630201886
Energy: 0.5055726155780484
Energy: 0.49098672170788576
Energy: 0.4915813004796408
Energy: 0.47939322774835824
Energy: 0.5350117398391582
Energy: 0.4921020443946455
Energy: 0.5221091392038812
Energy: 0.5459164166625715
Energy: 0.49047819960389943
Energy: 0.5270645500306247
Energy: 0.5277397770465264
Energy: 0.490445534835756
Energy: 0.5293016505862491
Energy: 0.49092919845959204
Energy: 0.5152131950568174
Energy: 0.583486138125717
Energy: 0.5373117464699085
Energy: 0.4964513750156838
Energy: 0.5732625145549025
Energy: 0.5449289982780812
Energy: 0.48148518654714945
Energy: 0.5280289278332083
Energy: 0.535870408147475
Energy: 0.4815202561477911
Energy: 0.528231180846032
Energy: 0.48207938594462185
Energy: 0.48132119509106036
Energy: 0.5057367904714414
Energy: 0.48135581042241476
Energy: 0.4821502090587174
Energy: 0.5116834969949823
Energy: 0.48046631832405284
Energy: 0.48079008578069554
Energy: 0.511403154513349
Energy: 0.5110987008833803
Energy: 0.48069208798178975
Energy: 0.5238336432175025
Energy: 0.5168651194508319
Energy: 0.6001825764293243
Energy: 0.536479377527583
Energy: 0.536281437631295
Energy: 0.5108404787877445
Energy: 0.5375615043010761
Energy: 0.508907712230184
Energy: 0.5068050284389266
Energy: 0.5068460530454526
Energy: 0.5011758439442339
Energy: 0.506580245083674
Energy: 0.5082362117181286
Energy: 0.5203859917509892
Energy: 0.5199734670770999
Energy: 0.5226747697686689
Energy: 0.502955270769123
Energy: 0.520817506827626
Energy: 0.4826619420640977
Energy: 0.5069177729374242
Energy: 0.5446875641773268
Energy: 0.48092693716324975
Energy: 0.5289828857778421
Energy: 0.5453999349982779
Energy: 0.48138262991503
Energy: 0.5132581955400857
Energy: 0.4971132446957407
Energy: 0.5070378797109254
Energy: 0.5134438116610601
Energy: 0.4898778430126416
Energy: 0.5313320375353465
Energy: 0.5123309674701604
Energy: 0.4927075343271602
Energy: 0.5168723717865837
Energy: 0.5125971715164621
Energy: 0.49464900019676866
Energy: 0.5208374142085231
Energy: 0.5488082988589156
Energy: 0.5460294280053849
Energy: 0.5068924845860235
Energy: 0.536394866409272
Energy: 0.5457252269001971
Energy: 0.5068683631233606
Energy: 0.507707242495807
Energy: 0.5355808720343292
Energy: 0.5223942828173843
Energy: 0.5129337810486133
Energy: 0.5364555868564463
Energy: 0.5353214877373101
Energy: 0.5204778592737772
Energy: 0.5497077067133908
Energy: 0.4810502250926517
Energy: 0.5169662183818642
Energy: 0.5076890021154582
Energy: 0.4810191973711103
Energy: 0.5067667073540421
Energy: 0.5428687820807989
Energy: 0.481051800424219
Energy: 0.48060125566094414
Energy: 0.5300241130500001
Energy: 0.48288039610348
Energy: 0.48111953313586414
Energy: 0.5419426123380882
Energy: 0.4814438250033915
Energy: 0.5314071560941994
Energy: 0.5277402829040653
Energy: 0.4810952483675288
Energy: 0.5268921443137168
Energy: 0.5726151731128475
Energy: 0.5295284942219302
Energy: 0.5287125940868971
Energy: 0.5730628376970439
Energy: 0.4962372100788595
Energy: 0.5481295341665025
Energy: 0.5897931912262112
Energy: 0.4908354077086723
Energy: 0.4908926207135143
Energy: 0.5708291454777287
Energy: 0.4908330133835842
Energy: 0.5430396575609266
Energy: 0.48039206004877366
Energy: 0.49245542867993053
Energy: 0.5356274892911449
Energy: 0.49306442891357627
Energy: 0.49236224393485967
Energy: 0.5143680467072599

minimum gb energy = 0.47939322774835824 eV
minimum distance =  2.64089077723672 Angstroms
sigma value = 57


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

Energy: 0.6729975272488021
Energy: 0.6678736246939853
Energy: 0.5620000706876539
Energy: 0.5637581875361622
Energy: 0.7341420595383387
Energy: 0.5616078538847695
Energy: 0.5434692370990986
Energy: 0.4930191330248771
Energy: 0.49362536526322626
Energy: 0.49433922621405096
Energy: 0.4932880077645965
Energy: 0.4850923046086112
Energy: 0.5248582429127716
Energy: 0.5411162700745598
Energy: 0.5098874424168004
Energy: 0.5256367390109256
Energy: 0.5408426905100532
Energy: 0.4858382281065549
Energy: 0.48827639456672034
Energy: 0.48793192409480174
Energy: 0.4848047432589565
Energy: 0.4889103996030475
Energy: 0.49031386138622524
Energy: 0.4850858282637944
Energy: 0.49236661827636463
Energy: 0.4880371110668593
Energy: 0.48765962767969206
Energy: 0.49231242573596373
Energy: 0.544204840476199
Energy: 0.4853429469964581
Energy: 0.492587349991174
Energy: 0.520379981908125
Energy: 0.5205059141623267
Energy: 0.49370507068780584
Energy: 0.5238858581829486
Energy: 0.5465716718750995
Energy: 0.5204790624943906
Energy: 0.5018247806829701
Energy: 0.5020564107302333
Energy: 0.5212656701222356
Energy: 0.5052026805791231
Energy: 0.5205364854623981
Energy: 0.5439675571863662
Energy: 0.48812866841448715
Energy: 0.4854343555671665
Energy: 0.5450617434934724
Energy: 0.49257561192988475
Energy: 0.4854104403028605
Energy: 0.4676993531700432
Energy: 0.5190632126582445
Energy: 0.5559528379657166
Energy: 0.4671977109396999
Energy: 0.5158682541800784
Energy: 0.5024621473760171
Energy: 0.46751040014352985
Energy: 0.5152561496782785
Energy: 0.5292066407169612
Energy: 0.4741626240924259
Energy: 0.5209281485524101
Energy: 0.50284791146024
Energy: 0.543767260605711
Energy: 0.48779266425893275
Energy: 0.4864173592759935
Energy: 0.5446181634855822
Energy: 0.492420026222976
Energy: 0.4853139400316842
Energy: 0.5157778225789161
Energy: 0.543406076843019
Energy: 0.5419804376583208
Energy: 0.5161992835291012
Energy: 0.5417241926798153
Energy: 0.5148301300188625
Energy: 0.49433111008585723
Energy: 0.49297287638283926
Energy: 0.4926610031762886
Energy: 0.4949024001531391
Energy: 0.4939192591574765
Energy: 0.5189024607141144
Energy: 0.5890221818778416
Energy: 0.5204573668309276
Energy: 0.5161753723474966
Energy: 0.49458805375161013
Energy: 0.523155416476678
Energy: 0.5156525074279054
Energy: 0.49266634761061706
Energy: 0.5028404865097704
Energy: 0.4884248177451158
Energy: 0.4927072087181527
Energy: 0.503828206998967
Energy: 0.48496137780175314
Energy: 0.5260234515244899
Energy: 0.5032218313872086
Energy: 0.5002015316154229
Energy: 0.5269009387337996
Energy: 0.5051119661589462
Energy: 0.4866399623298989
Energy: 0.46699555623537703
Energy: 0.4933561228970904
Energy: 0.4930828931549423
Energy: 0.4670173598396392
Energy: 0.49338726272399275
Energy: 0.49240511797104614

minimum gb energy = 0.46699555623537703 eV
minimum distance =  2.64550485009333 Angstroms
sigma value = 9


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

Energy: 0.8031436915770274
Energy: 0.6005011769205465
Energy: 0.5880229484775474
Energy: 0.5485514472165172
Energy: 0.6207693317097069
Energy: 0.5890615764683124
Energy: 0.5677769915392247
Energy: 0.536947878498745
Energy: 0.5378493416514277
Energy: 0.552331485422579
Energy: 0.5327426658830452
Energy: 0.5296075267917515
Energy: 0.5714158736662386
Energy: 0.5477951672895534
Energy: 0.529139072547849
Energy: 0.5710390206612704
Energy: 0.5407598918057382
Energy: 0.5286118659949698
Energy: 0.5200479901899017
Energy: 0.5273341477340218
Energy: 0.5388877490953629
Energy: 0.5197924863668539
Energy: 0.5265378595366367
Energy: 0.5277691038548338
Energy: 0.5464269853482288
Energy: 0.5227198252338067
Energy: 0.5096924519935383
Energy: 0.546806651946792
Energy: 0.5338387816860544
Energy: 0.5103998412337956
Energy: 0.5266531757554676
Energy: 0.5326207623641879
Energy: 0.5313033035000985
Energy: 0.5275203597213178
Energy: 0.5356567314974342
Energy: 0.5323787020397992
Energy: 0.5175088975204412
Energy: 0.5322751997431197
Energy: 0.519570678028608
Energy: 0.5183702771875532
Energy: 0.5316916794790012
Energy: 0.5193024619192964
Energy: 0.53335863374416
Energy: 0.5301391798191047
Energy: 0.5344241844240691
Energy: 0.5334018211634048
Energy: 0.5300998866503669
Energy: 0.5350357457968511
Energy: 0.6175144039952954
Energy: 0.5428191657040402
Energy: 0.516198424722179
Energy: 0.5443777451193612
Energy: 0.5480461229991108
Energy: 0.5277936389758648
Energy: 0.5373770503073274
Energy: 0.5197272301791513
Energy: 0.5158620348063845
Energy: 0.5499726101886668
Energy: 0.5174108540401752
Energy: 0.5104361908173202
Energy: 0.5330778212815488
Energy: 0.5331579054153576
Energy: 0.5473787069061201
Energy: 0.5331318410608947
Energy: 0.5491002378511425
Energy: 0.5103914467784588
Energy: 0.5366679591954691
Energy: 0.5464889951673204
Energy: 0.5465506758040201
Energy: 0.5331504833695409
Energy: 0.5410322516030672
Energy: 0.5329468559389698
Energy: 0.6258628781843236
Energy: 0.5452650451752242
Energy: 0.5418275258999891
Energy: 0.5299822728512475
Energy: 0.5439025366673307
Energy: 0.5303332164721551
Energy: 0.5359820120499099
Energy: 0.5306999484493131
Energy: 0.5271605026689107
Energy: 0.529603916805091
Energy: 0.525761334258553
Energy: 0.5470388160084602
Energy: 0.5368095188528871
Energy: 0.5464218734547255
Energy: 0.5438853746696184
Energy: 0.537368341214383
Energy: 0.5474414431531839
Energy: 0.5217594764659086
Energy: 0.5295930402581185
Energy: 0.5362630849905463
Energy: 0.5352075571457566
Energy: 0.5299987175075888
Energy: 0.5440183274378945
Energy: 0.5355342741261798
Energy: 0.5287343986325563
Energy: 0.5402376862402132
Energy: 0.5394443025844853
Energy: 0.5287198232949137
Energy: 0.5731989701693498
Energy: 0.5277542067539331
Energy: 0.5871302594675394
Energy: 0.554581606954824
Energy: 0.5450005462485588
Energy: 0.5424434553196884
Energy: 0.5525174829877998
Energy: 0.5327707652511847
Energy: 0.5283582574921443
Energy: 0.5464553672786666
Energy: 0.5281347454255791
Energy: 0.5283533119721214
Energy: 0.5573332202149296
Energy: 0.5282421313468841
Energy: 0.5249911200293269
Energy: 0.5470102113904748
Energy: 0.5441285925630583
Energy: 0.5252107899067439
Energy: 0.5457997515225157
Energy: 0.5288404440832921
Energy: 0.528100022763201
Energy: 0.5294695511392334
Energy: 0.5371990239733461
Energy: 0.5269801736846276
Energy: 0.5276830135216038
Energy: 0.5331724255754506

minimum gb energy = 0.5096924519935383 eV
minimum distance =  2.59902682753317 Angstroms
sigma value = 27


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

Energy: 0.5373387573906498
Energy: 0.7085924264576239
Energy: 0.5054250473524529
Energy: 0.493883926519608
Energy: 0.7034920605002902
Energy: 0.5261331626341277
Energy: 0.5944587089398676
Energy: 0.5161750847951814
Energy: 0.5213809695316843
Energy: 0.5350564082244286
Energy: 0.514088397108269
Energy: 0.5559171544569372
Energy: 0.5629548814122515
Energy: 0.5609951440022796
Energy: 0.5349521765209612
Energy: 0.5408095710818156
Energy: 0.5168628823384243
Energy: 0.553933409152139
Energy: 0.5598532693827419
Energy: 0.5378686426975183
Energy: 0.5547170654698202
Energy: 0.539381868232814
Energy: 0.5288825980359662
Energy: 0.5297702734702658
Energy: 0.5316075425045158
Energy: 0.5186885833448007
Energy: 0.5218278964162544
Energy: 0.5312641299535412
Energy: 0.5225414537820631
Energy: 0.5208940054535308
Energy: 0.5635910793082854
Energy: 0.5476189171689151
Energy: 0.5536592057210212
Energy: 0.5473557824698616
Energy: 0.5580113551958584
Energy: 0.5541167235184685
Energy: 0.5534675076233968
Energy: 0.5053994797939755
Energy: 0.5057506753423003
Energy: 0.5323259998321923
Energy: 0.49702772950370827
Energy: 0.5054863833996198
Energy: 0.549422867699239
Energy: 0.5112137766356153
Energy: 0.5484937512803252
Energy: 0.5484000367861643
Energy: 0.5076717859426744
Energy: 0.546405104577101
Energy: 0.6105491810950946
Energy: 0.5540100412894615
Energy: 0.5547879546218738
Energy: 0.5620803483984931
Energy: 0.5522505449239635
Energy: 0.5565710644342496
Energy: 0.6099143692953423
Energy: 0.5493778980028926
Energy: 0.5483130472653134
Energy: 0.5677333471256
Energy: 0.5576233450986419
Energy: 0.5470447915285253
Energy: 0.5490348876042618
Energy: 0.5451634415273234
Energy: 0.5487815468781383
Energy: 0.5488611748609769
Energy: 0.526022956480739
Energy: 0.54897541749422
Energy: 0.5654104310750198
Energy: 0.5564282328089969
Energy: 0.5552443145331586
Energy: 0.5642924215886836
Energy: 0.5538985246970412
Energy: 0.5553882420354332
Energy: 0.4972882285996787
Energy: 0.5452303384633953
Energy: 0.4985809932760246
Energy: 0.4957658114319434
Energy: 0.5515227140111486
Energy: 0.5077721013300757
Energy: 0.49275326876062026
Energy: 0.5446179359121639
Energy: 0.5549585278223488
Energy: 0.49261007594303075
Energy: 0.5512018816658205
Energy: 0.5045307819192418
Energy: 0.5527291504885992
Energy: 0.5510128224575576
Energy: 0.5502894319729
Energy: 0.5539215114624207
Energy: 0.5607885906982446
Energy: 0.5463775215386912
Energy: 0.5525997645171277
Energy: 0.5483667795323841
Energy: 0.5548801629478476
Energy: 0.553304154252417
Energy: 0.5588678872405689
Energy: 0.5569933041883993
Energy: 0.5257128400425195
Energy: 0.5448874873002278
Energy: 0.552001495325908
Energy: 0.5268495755716291
Energy: 0.5498789690891212
Energy: 0.5513969688092822
Energy: 0.559306893471662
Energy: 0.5464736653335124
Energy: 0.5506365831707969
Energy: 0.5419033790015688
Energy: 0.5465715200388679
Energy: 0.5493473950092379
Energy: 0.5492852987721234
Energy: 0.5047673345556385
Energy: 0.50453991867818
Energy: 0.5498731394933474
Energy: 0.49246859561026046
Energy: 0.5044304719344432
Energy: 0.5559963837103613
Energy: 0.5044701382986843
Energy: 0.5045257668136222
Energy: 0.5349463150402118
Energy: 0.4924811180221758
Energy: 0.5045328850592795
Energy: 0.6120919436754935
Energy: 0.5505758098645117
Energy: 0.5455979120155808
Energy: 0.5700481590902586
Energy: 0.5519403165021667
Energy: 0.5494291388915661
Energy: 0.5257942187644734
Energy: 0.5253692695056174
Energy: 0.527020035570633
Energy: 0.526657697397982
Energy: 0.530446339309129
Energy: 0.5366806479594446
Energy: 0.556940671017683
Energy: 0.5281265299398405
Energy: 0.558613849008461
Energy: 0.5331369556226836
Energy: 0.5557228129321522
Energy: 0.5549009650772864
Energy: 0.556002658860385
Energy: 0.5544098687203258
Energy: 0.5334822462265391
Energy: 0.522100113114728
Energy: 0.5281245913494159
Energy: 0.5685542365922832
Energy: 0.5419542586858368
Energy: 0.5132475496489486
Energy: 0.5144566432543543
Energy: 0.4925923422103899
Energy: 0.5143025876345632
Energy: 0.5247127850313155

minimum gb energy = 0.49246859561026046 eV
minimum distance =  2.61222914983633 Angstroms
sigma value = 19


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

Energy: 0.7673557245161765
Energy: 0.5789345338790021
Energy: 0.5138161435216673
Energy: 0.5387378595102675
Energy: 0.5790146017357436
Energy: 0.5558185158759814
Energy: 0.6039304984013416
Energy: 0.5186348688630098
Energy: 0.519522925353764
Energy: 0.5228745605171309
Energy: 0.5342597494763177
Energy: 0.5292776129389126
Energy: 0.5260455337322768
Energy: 0.512860952483103
Energy: 0.5274608268979201
Energy: 0.5261690610192175
Energy: 0.5075810527265705
Energy: 0.5315679775162967
Energy: 0.5297105977084907
Energy: 0.5186487089098144
Energy: 0.5053570518094742
Energy: 0.5294310748601154
Energy: 0.5352120903337471
Energy: 0.5242437032263045
Energy: 0.513435446260415
Energy: 0.5290071918109077
Energy: 0.5312164957627618
Energy: 0.5143222951575214
Energy: 0.5280763140826853
Energy: 0.5314412305978785
Energy: 0.537875368141136
Energy: 0.5545612960569569
Energy: 0.5551625638069194
Energy: 0.5383506067542296
Energy: 0.5225463936212736
Energy: 0.5555630020857829
Energy: 0.5127752328634326
Energy: 0.5031559779664428
Energy: 0.5316272522634169
Energy: 0.5126992474350791
Energy: 0.5029763196270658
Energy: 0.5281850103273558
Energy: 0.5228459607909256
Energy: 0.5319479065830448
Energy: 0.5677574420113096
Energy: 0.523272822371236
Energy: 0.5192175585576068
Energy: 0.5513155762814439
Energy: 0.5057408799159647
Energy: 0.5214664824951342
Energy: 0.5258749910131891
Energy: 0.5054233163302054
Energy: 0.52639976132373
Energy: 0.5187933858623076
Energy: 0.5053367221078179
Energy: 0.5308543738649475
Energy: 0.5362981613408269
Energy: 0.5058258798968871
Energy: 0.5363779424994616
Energy: 0.5347168957228524
Energy: 0.5240147261870137
Energy: 0.5003749341899995
Energy: 0.5075451097924584
Energy: 0.5242058669945648
Energy: 0.6240449640916291
Energy: 0.5128835308338505
Energy: 0.5164108600379939
Energy: 0.49452620175536277
Energy: 0.4943197113759357
Energy: 0.5166794831522016
Energy: 0.5132331472477306
Energy: 0.49769485017440046
Energy: 0.5253385961770479
Energy: 0.5282480887428394
Energy: 0.5245329925963512
Energy: 0.5132916056361446
Energy: 0.5176485852373123
Energy: 0.5339035488126143
Energy: 0.5429632512691981
Energy: 0.5304484055900309
Energy: 0.5303134394379052
Energy: 0.5434708637433449
Energy: 0.52867016334838
Energy: 0.5350494440806883
Energy: 0.5166281863375177
Energy: 0.49431149900214555
Energy: 0.49441721548284145
Energy: 0.5165013018481375
Energy: 0.4935173834289865
Energy: 0.494079001508147
Energy: 0.5416570512648163
Energy: 0.49391264914506305
Energy: 0.5196508014919639
Energy: 0.5417123066743245
Energy: 0.493862119344701
Energy: 0.5228846120861497
Energy: 0.5101830052663171
Energy: 0.530368565999422
Energy: 0.5285328583451193
Energy: 0.4960038029079689
Energy: 0.5293092591740078
Energy: 0.5389156774024005
Energy: 0.5268707578076214
Energy: 0.5075964884955774
Energy: 0.521080640251827
Energy: 0.5269422365507833
Energy: 0.5168882846436959
Energy: 0.5233341498418868
Energy: 0.5308091675284856
Energy: 0.524363550948638
Energy: 0.5240783394141343
Energy: 0.5315744758534946
Energy: 0.5273034735986988
Energy: 0.5177368449713661
Energy: 0.5200739442131069
Energy: 0.5049831245526871
Energy: 0.5252770372642261
Energy: 0.5206389193503284
Energy: 0.506441265919594
Energy: 0.5125189596283458
Energy: 0.4982790194421762
Energy: 0.5240637603514493
Energy: 0.5236665733710243
Energy: 0.49924403973724973
Energy: 0.5166432161991967
Energy: 0.49383924963094605
Energy: 0.5056334583937763
Energy: 0.500589040479091
Energy: 0.5070191726138825
Energy: 0.5061648274234485
Energy: 0.5164525860536447
Energy: 0.4941237484722981
Energy: 0.5285797476738252
Energy: 0.5140249635893114
Energy: 0.5118752935479375
Energy: 0.5282858062607553
Energy: 0.51478482516659
Energy: 0.5309258349757847
Energy: 0.543712529143257
Energy: 0.489850914821097
Energy: 0.5258914887423216
Energy: 0.5438261157263169
Energy: 0.4895055554491468
Energy: 0.4905016260936391
Energy: 0.5313393912993131
Energy: 0.5038634357935701
Energy: 0.4975710331637032
Energy: 0.5089789207415455
Energy: 0.5165468562223522
Energy: 0.5190707675081241
Energy: 0.5140885398307932
Energy: 0.5157952442539039
Energy: 0.5161599098982036
Energy: 0.5040705647389174
Energy: 0.5320201167089451
Energy: 0.5053364877787214
Energy: 0.5266457423333772
Energy: 0.511943954968349
Energy: 0.5319305680659596
Energy: 0.526833687854888
Energy: 0.5158705437409413
Energy: 0.5335813577066588
Energy: 0.5261950975676016
Energy: 0.5148694849259233
Energy: 0.519367883396979
Energy: 0.5264236465177577
Energy: 0.5158220626333972
Energy: 0.5237915525254662
Energy: 0.5311349345403272
Energy: 0.5375047076430675
Energy: 0.5378867178085385
Energy: 0.5027563305364264
Energy: 0.5376652880682504
Energy: 0.5193604067624152

minimum gb energy = 0.4895055554491468 eV
minimum distance =  2.59728719582637 Angstroms
sigma value = 101


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

Energy: 0.705057225153092
Energy: 0.7549102141627353
Energy: 0.527130701162414
Energy: 0.6214236810621606
Energy: 0.7543532955072635
Energy: 0.49923612236667725
Energy: 0.5541358039898477
Energy: 0.528584464594204
Energy: 0.4783407977084191
Energy: 0.5493190600889337
Energy: 0.5060363721277455
Energy: 0.4781102845046532
Energy: 0.5217033829021723
Energy: 0.4784100528232869
Energy: 0.47913521215364896
Energy: 0.5223619639858305
Energy: 0.479507707234277
Energy: 0.5048336290085674
Energy: 0.5182865307791731
Energy: 0.4784331355462788
Energy: 0.478497956605392
Energy: 0.5184915634899604
Energy: 0.51432687106198
Energy: 0.4783297742439609
Energy: 0.4880572701763396
Energy: 0.5210012742707847
Energy: 0.5153801401343701
Energy: 0.4893240052818025
Energy: 0.5215962692908599
Energy: 0.4880943694557303
Energy: 0.49199381232447564
Energy: 0.5327029991029395
Energy: 0.4918517352972366
Energy: 0.4921549408538384
Energy: 0.5483394859092581
Energy: 0.47842732488025524
Energy: 0.5169418980715831
Energy: 0.4762360879605773
Energy: 0.47594848551397917
Energy: 0.5169883366866852
Energy: 0.47596764341361714
Energy: 0.5114054545539339
Energy: 0.5080589611394243
Energy: 0.532474626098322
Energy: 0.4783973254046006
Energy: 0.5085275474977412
Energy: 0.5200309811153766
Energy: 0.4787680744870706
Energy: 0.479611590066427
Energy: 0.5104375426582819
Energy: 0.4779394195293285
Energy: 0.48058085680505086
Energy: 0.5199125689446582
Energy: 0.47842550971696296
Energy: 0.4784185057210964
Energy: 0.5292938808896084
Energy: 0.47831903266301856
Energy: 0.4783558313147211
Energy: 0.5326000126726599
Energy: 0.47843947624138555
Energy: 0.5729589616373101
Energy: 0.4957078793534274
Energy: 0.4956627150944337
Energy: 0.5736879577160795
Energy: 0.4956869661465921
Energy: 0.502812400958256
Energy: 0.5230659008464812
Energy: 0.49437669786106464
Energy: 0.47914988550814236
Energy: 0.5234792044715594
Energy: 0.52139939068157
Energy: 0.4790085352996102
Energy: 0.49109094084118304
Energy: 0.5134403112173128
Energy: 0.5124187156127885
Energy: 0.4774432258080599
Energy: 0.5147061003631317
Energy: 0.47789834838601297
Energy: 0.4907177614057588
Energy: 0.5063920036064165
Energy: 0.5232081153648882
Energy: 0.49066368016769224
Energy: 0.5026665679604831
Energy: 0.4784928506209692
Energy: 0.5192479740640816
Energy: 0.4779837970662056
Energy: 0.4780840049073401
Energy: 0.5202265721813657
Energy: 0.48066654670734305
Energy: 0.4781660722989571
Energy: 0.5201146686756034
Energy: 0.4965874972152462
Energy: 0.49549797055044725
Energy: 0.5182691191668642
Energy: 0.47874451132417517
Energy: 0.47862604176670254
Energy: 0.7085228173843127
Energy: 0.5595508636879967
Energy: 0.5267713854994309
Energy: 0.46725431188196587
Energy: 0.558829570360649
Energy: 0.49216130118559837
Energy: 0.5432621118359409
Energy: 0.5176474597117664
Energy: 0.5119720780157568
Energy: 0.5442784774293014
Energy: 0.5201631441104942
Energy: 0.5231938297123201
Energy: 0.5197125286494876
Energy: 0.494511138320903
Energy: 0.4958450568510182
Energy: 0.5198988903020605
Energy: 0.47796701938170433
Energy: 0.47828225478819625
Energy: 0.5185352448948162
Energy: 0.4953741245202024
Energy: 0.49612336778856725
Energy: 0.5192474817888761
Energy: 0.4947619869957868
Energy: 0.47822206391651834
Energy: 0.4895526188798694
Energy: 0.5220342601592056
Energy: 0.5118736569159115
Energy: 0.490327182417847
Energy: 0.5223782387400672
Energy: 0.48905524078898405
Energy: 0.5059724368598228
Energy: 0.5078920954108477
Energy: 0.4781581874883074
Energy: 0.506906864851276
Energy: 0.5187955489351048
Energy: 0.47844263966737904
Energy: 0.5107031753037645
Energy: 0.47651282012642243
Energy: 0.47668235865125097
Energy: 0.5108503353345236
Energy: 0.4945401048874398
Energy: 0.47672925163065033
Energy: 0.5108535449305618
Energy: 0.5034418541530137
Energy: 0.4830000550098041
Energy: 0.5105016262531584
Energy: 0.49687580141811927
Energy: 0.5133457581110605
Energy: 0.4846744232980542
Energy: 0.5126408037654198
Energy: 0.47806578608819933
Energy: 0.48434387545858426
Energy: 0.5193673190838786
Energy: 0.49518783489768387
Energy: 0.47976168611275466
Energy: 0.5248765881658979
Energy: 0.47888447783329124
Energy: 0.48081816259616045
Energy: 0.5209459069595941
Energy: 0.4788070874794435
Energy: 0.5195646124683962
Energy: 0.46450732739312434
Energy: 0.46444251811469983
Energy: 0.5203091079834926
Energy: 0.46732413860178873
Energy: 0.5137155076082118
Energy: 0.5213213819900154
Energy: 0.46463485552936107
Energy: 0.46534525762005113
Energy: 0.5220131454337917
Energy: 0.46436266206886456
Energy: 0.4783829678848984
Energy: 0.49110339690876254
Energy: 0.5042112108183477
Energy: 0.48527576616950047
Energy: 0.4766728019021919
Energy: 0.5126318095858324
Energy: 0.47773579421012485
Energy: 0.49233229254983263
Energy: 0.4859467238736413
Energy: 0.5278007934020511
Energy: 0.47683621534746334
Energy: 0.4920669442393804
Energy: 0.4787067776062023
Energy: 0.5215513180234713
Energy: 0.4794825812353043
Energy: 0.4785566338721819
Energy: 0.5223500209953247
Energy: 0.47971447255452243
Energy: 0.478563631232871
Energy: 0.5192599110601138
Energy: 0.4947902121812288
Energy: 0.495036379733947
Energy: 0.5194803750653456
Energy: 0.48385956387230866
Energy: 0.4974102242035927
Energy: 0.49206962206624216
Energy: 0.4800930522469523
Energy: 0.46860349457184347
Energy: 0.46378564752525053
Energy: 0.4793534238250983
Energy: 0.464574011290758

minimum gb energy = 0.46378564752525053 eV
minimum distance =  2.60639626045589 Angstroms
sigma value = 33


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

Energy: 0.011898082610158582
Energy: 0.38001275370015225
Energy: 0.012319890220681468
Energy: 0.013399285777378837
Energy: 0.3797837546569538
Energy: 0.012235486371670047
Energy: 0.2825770975086482
Energy: 0.0717199120833665
Energy: 0.07140252416970551
Energy: 0.07076908533649104
Energy: 0.07078862978601953
Energy: 0.07092117719697613
Energy: 0.5923874773711221
Energy: 0.3815483437910074
Energy: 0.3798161022297837
Energy: 0.37861675379669174
Energy: 0.3794800775386331
Energy: 0.37941841218827976
Energy: 0.28257709750898596
Energy: 0.07171991208372419
Energy: 0.0714025241700632
Energy: 0.07076908533649104
Energy: 0.07078862978601953
Energy: 0.07092117719733382

minimum gb energy = 0.011898082610158582 eV
minimum distance =  2.81098146141195 Angstroms
sigma value = 1