Model name: model_name=EAM_Dynamo_Pun_2017_Au__MO_188701096956_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.077997982501984
cohesive_energy=3.9303090816171165
mass=196.9665
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=[8.55358846123482e-20, 1.5483467034508679e-19, 2.13616608434586e-19, 2.64661955993826e-19, 3.09715162941906e-19, 3.49894548569358e-19, 3.8595313589416195e-19, 4.1843085844197597e-19, 4.47726658194666e-19, 4.7414815306596e-19, 4.97943680434128e-19, 5.19310308025152e-19, 5.384162643856019e-19, 5.5540254105927e-19, 5.703925056469739e-19, 5.83490299629924e-19, 5.947904514295259e-19, 6.043762742307479e-19, 6.12323070335388e-19, 6.18699733338708e-19, 6.235671459527999e-19, 6.26981384359854e-19, 6.28993718212158e-19, 6.29655417162e-19, 6.289344376767e-19, 6.265744314948179e-19, 6.2223413499331195e-19, 6.154969822473419e-19, 6.05858287617198e-19, 5.92691600038986e-19, 5.75227874728386e-19, 5.52509010058266e-19, 5.2333497572976e-19, 4.86193317000372e-19, 4.391614219093019e-19, 3.7977193844019e-19, 3.04833330738108e-19, 2.1016391778831596e-19, 9.022321257277859e-20, -6.242608884353219e-20, -2.57915190188052e-19, -5.102788383392939e-19, -8.393290689003118e-19, -1.273591034662842e-18, -1.85703487117038e-18, -2.6714853412979397e-18, -3.878997805044719e-18, -5.792172945470459e-18, -8.98824296027268e-18, -1.4575753862515978e-17, -2.5221464572427995e-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: 0.011911058478451563
Energy: 0.012270517123790695
Energy: 0.012430592479818866
Energy: 0.012081691725210567
Energy: 0.2725891095565144
Energy: 0.012245257836478247
Energy: 0.012270517124037133
Energy: 0.07289452744844077
Energy: 0.07302710428123682
Energy: 0.07289144972349865
Energy: 0.07283770802117458
Energy: 0.07293547642694442
Energy: 0.012430592479572426
Energy: 0.07302710428148326
Energy: 0.07300076378188924
Energy: 0.01257615824994137
Energy: 0.07290367318413286
Energy: 0.07450606922415871
Energy: 0.012081691724964127
Energy: 0.07289144972300576
Energy: 0.01257615824944849
Energy: 0.01207928995201881
Energy: 0.07286186703412424
Energy: 0.01228239395062992
Energy: 0.27258910955892396
Energy: 0.07283770801827207
Energy: 0.07290367318413286
Energy: 0.07286186703678031
Energy: 0.07287160322445639
Energy: 0.07289900194447461
Energy: 0.0122452578379295
Energy: 0.07293547642332997
Energy: 0.07450606922366583
Energy: 0.01228239395062992
Energy: 0.07289900194302336
Energy: 0.012399924954738233

minimum gb energy = 0.011911058478451563 eV
minimum distance =  2.87805691431434 Angstroms
sigma value = 1


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

Energy: 0.7935206243050726
Energy: 0.5507640779232046
Energy: 0.5678277146069343
Energy: 0.5354286901112805
Energy: 0.8117187607330333
Energy: 0.5651875942337479
Energy: 0.7661323193600363
Energy: 0.5443365168698868
Energy: 0.5359191322395234
Energy: 0.5447721360194042
Energy: 0.5463968231122814
Energy: 0.5424372586426791
Energy: 0.7382043227186694
Energy: 0.5314575280997853
Energy: 0.5223988302054726
Energy: 0.5566096233815048
Energy: 0.5314697794117492
Energy: 0.5343038429865775
Energy: 0.8233233593000463
Energy: 0.5333407292303676
Energy: 0.5340398585727067
Energy: 0.534656379429072
Energy: 0.5320390343242501
Energy: 0.5343296480224574
Energy: 0.7351882167168352
Energy: 0.5540662372105576
Energy: 0.5537824114707501
Energy: 0.5427453868740971
Energy: 0.5542542983705576
Energy: 0.549600065394142
Energy: 0.7309619121819204
Energy: 0.5494919402371485
Energy: 0.5488313408039452
Energy: 0.5482550309908951
Energy: 0.549787013748164
Energy: 0.5496235318155154
Energy: 0.7306669145715372
Energy: 0.5437301299292557
Energy: 0.5516693682790381
Energy: 0.5482163889716656
Energy: 0.5445830949813487
Energy: 0.5477939558095942
Energy: 0.6921759321636838
Energy: 0.5554135397806775
Energy: 0.5551778452048609
Energy: 0.5064762949932526
Energy: 0.5522271845844179
Energy: 0.5488017526073943
Energy: 0.5924694655106596
Energy: 0.5482445461570465
Energy: 0.5491239728392535
Energy: 0.5489725790379802
Energy: 0.549054789204454
Energy: 0.5474090227222098
Energy: 0.5895178050678063
Energy: 0.5535592365275823
Energy: 0.5529891905969041
Energy: 0.5350687527206972
Energy: 0.5535554944846433
Energy: 0.5558624416706159
Energy: 0.6150800299058321
Energy: 0.5383398707340634
Energy: 0.5389060581552853
Energy: 0.5617644951378598
Energy: 0.5385992821004445
Energy: 0.5276456506809845
Energy: 0.5536610366841938
Energy: 0.5318450775613509
Energy: 0.5337800658273285
Energy: 0.536113379031398
Energy: 0.5572465103760372
Energy: 0.5217162981196707
Energy: 0.5504114598874228
Energy: 0.5489435231625072
Energy: 0.5580458507957793
Energy: 0.5466842207188799
Energy: 0.5541787263352886
Energy: 0.5239559646470869
Energy: 0.6239750732287733
Energy: 0.534268820727781
Energy: 0.5340823829947439
Energy: 0.554602311026768
Energy: 0.5344860436497697
Energy: 0.5314271048713296
Energy: 0.5621054811752214
Energy: 0.552974470651018
Energy: 0.5656208563692298
Energy: 0.5368944288117772
Energy: 0.5443058563128752
Energy: 0.5484153887330189
Energy: 0.5632148288047062
Energy: 0.534079763017677
Energy: 0.5339295704205924
Energy: 0.5349024826142127
Energy: 0.5325222753894069
Energy: 0.5353896283182081
Energy: 0.6544999962667197
Energy: 0.5464079170413143
Energy: 0.546682098752833
Energy: 0.5218806164036296
Energy: 0.5463302326017289
Energy: 0.5346156734795423
Energy: 0.6533134038335525
Energy: 0.549588738678058
Energy: 0.5547380045296937
Energy: 0.5545738213266307
Energy: 0.5498939530963223
Energy: 0.5544415048898392
Energy: 0.6577491600432316
Energy: 0.5559333286911572
Energy: 0.5540112549208578
Energy: 0.5540150260542577
Energy: 0.5548443482538111
Energy: 0.5537972371519915
Energy: 0.738669673490044
Energy: 0.5558317256856071
Energy: 0.5542129269990258
Energy: 0.5385008391019063
Energy: 0.5543936791773573
Energy: 0.5537690989735323
Energy: 0.7902142650472043
Energy: 0.5232336805437385
Energy: 0.5272957291742457
Energy: 0.5383122803329208
Energy: 0.522466181986735
Energy: 0.538663429929187
Energy: 0.7677515693320793
Energy: 0.5348057440667667
Energy: 0.5362867279727682
Energy: 0.5522573171607583
Energy: 0.5390117574816123
Energy: 0.5341614486271081
Energy: 0.7674486390595983
Energy: 0.5388702698698016
Energy: 0.5366291178608199
Energy: 0.552881563280302
Energy: 0.5393720945678343
Energy: 0.5585377207273302

minimum gb energy = 0.5064762949932526 eV
minimum distance =  2.65102122601504 Angstroms
sigma value = 33


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

Energy: 0.9856582177363178
Energy: 0.5792775260322843
Energy: 0.5491746097035776
Energy: 0.5615206955777244
Energy: 0.5546232726219609
Energy: 0.5795396464294679
Energy: 0.6833203131108019
Energy: 0.5521597270068415
Energy: 0.5471435806966806
Energy: 0.5637197443690092
Energy: 0.5514798419396919
Energy: 0.539116790438143
Energy: 0.719887376157355
Energy: 0.5565141434809318
Energy: 0.5604746679381493
Energy: 0.5843261347066063
Energy: 0.556491345089604
Energy: 0.5526984478739227
Energy: 0.7909022649206231
Energy: 0.5924518674231474
Energy: 0.5601074326727264
Energy: 0.5584573731559482
Energy: 0.5958062295954705
Energy: 0.5579464458649039
Energy: 0.7271149726631524
Energy: 0.6154760388015863
Energy: 0.5701632725417423
Energy: 0.5713531146154665
Energy: 0.5640874726684024
Energy: 0.6131200839292489
Energy: 0.787893193937545
Energy: 0.5980414444786527
Energy: 0.5968520406618487
Energy: 0.5968238071071521
Energy: 0.599104782168425
Energy: 0.5977666499159525
Energy: 0.7867738137151549
Energy: 0.593096269876905
Energy: 0.5949335004674426
Energy: 0.5981234847413807
Energy: 0.5908684450237998
Energy: 0.598659754236698
Energy: 0.7282989956268383
Energy: 0.5842149526247239
Energy: 0.5877494239478271
Energy: 0.5807215187577078
Energy: 0.5846018419760242
Energy: 0.5870494178105976
Energy: 0.6432671901385085
Energy: 0.5841233124640042
Energy: 0.6069293623814725
Energy: 0.606916817696314
Energy: 0.5838711659331536
Energy: 0.6051158957649083
Energy: 0.6388781874726286
Energy: 0.6121451640561464
Energy: 0.6105589901536111
Energy: 0.6105361657253685
Energy: 0.6103132159909324
Energy: 0.6113342913199139
Energy: 0.6555145101434027
Energy: 0.5316721472662576
Energy: 0.5314186474212712
Energy: 0.6158589974358131
Energy: 0.5317473701963794
Energy: 0.5320329647122559
Energy: 0.5907186180718326
Energy: 0.5560519751388389
Energy: 0.5771151853005243
Energy: 0.5714221014162386
Energy: 0.5818786996498302
Energy: 0.5718480868449507
Energy: 0.5885979696068908
Energy: 0.6057583073279419
Energy: 0.5756166062451363
Energy: 0.5881391989175973
Energy: 0.6144474977651929
Energy: 0.5803104752712762
Energy: 0.6163653826161808
Energy: 0.5586321441905394
Energy: 0.5582840459724545
Energy: 0.6032311411258433
Energy: 0.5593225651638853
Energy: 0.574873911901474
Energy: 0.6497449774372283
Energy: 0.6100126336642625
Energy: 0.6096003071525654
Energy: 0.6067568293936864
Energy: 0.6113865001364424
Energy: 0.601559375872484
Energy: 0.6401735006788628
Energy: 0.5900033557857938
Energy: 0.5925603993443523
Energy: 0.5929416630159094
Energy: 0.5933615485828048
Energy: 0.590874205159216
Energy: 0.7034104538818736
Energy: 0.591254301501828
Energy: 0.5883795092142253
Energy: 0.5765457522825489
Energy: 0.5922996875287114
Energy: 0.5899638228122894
Energy: 0.6860208004930356
Energy: 0.6142411590293104
Energy: 0.6133579080266953
Energy: 0.5842216473717208
Energy: 0.6097825837975135
Energy: 0.5856659711212298
Energy: 0.6895997653118389
Energy: 0.6130247150678715
Energy: 0.6124769804706336
Energy: 0.5843551390961688
Energy: 0.6125807022614518
Energy: 0.6079006481464911
Energy: 0.7034499165691764
Energy: 0.606594948841772
Energy: 0.6075268733643269
Energy: 0.6084262885750606
Energy: 0.6079783366944902
Energy: 0.605349631696488
Energy: 0.8381901987302648
Energy: 0.573044850156462
Energy: 0.5084900722876173
Energy: 0.5081332725705513
Energy: 0.5942609270211349
Energy: 0.5080424176039062
Energy: 0.6238306338716418
Energy: 0.5667775649930328
Energy: 0.5660916323064816
Energy: 0.5627607545736872
Energy: 0.5659276797817862
Energy: 0.5590515253344635
Energy: 0.7059539777160054
Energy: 0.5923488819360279
Energy: 0.5919367620784928
Energy: 0.6130455747184997
Energy: 0.5922413248254154
Energy: 0.5747598247412942
Energy: 0.8089861977543072
Energy: 0.585795676037403
Energy: 0.5821233780426195
Energy: 0.5574949871377326
Energy: 0.5903162779235114
Energy: 0.5842003769288152
Energy: 0.7107719483732124
Energy: 0.5981076969625894
Energy: 0.5996529297209272
Energy: 0.6033871178539671
Energy: 0.600570538841388
Energy: 0.5990661601291023
Energy: 0.7325300260688229
Energy: 0.5873026032829853
Energy: 0.5885337305568702
Energy: 0.6176932284210612
Energy: 0.5904975491624682
Energy: 0.5899548424188489
Energy: 0.7906825858537545
Energy: 0.5888898410902859
Energy: 0.5904215226549225
Energy: 0.5881093624953775
Energy: 0.5988452821853351
Energy: 0.5912130290021107
Energy: 0.7331035694248226
Energy: 0.5839116671567574
Energy: 0.5852341316987134
Energy: 0.6101369035291808
Energy: 0.5840264013670494
Energy: 0.605718115760481
Energy: 0.6338537324424982
Energy: 0.5847591667512272
Energy: 0.5851869180989178
Energy: 0.6104579440924822
Energy: 0.5844523120614109
Energy: 0.6019191342616114
Energy: 0.632608591579929
Energy: 0.608146218471845
Energy: 0.6034097552086396
Energy: 0.6051498466418365
Energy: 0.6109128975033752
Energy: 0.6013275356127502
Energy: 0.6432495948693658
Energy: 0.5312859667187072
Energy: 0.531669915799853
Energy: 0.5714303167615203
Energy: 0.5313936945764873
Energy: 0.5334502417677718
Energy: 0.6008842248414635
Energy: 0.5308546098937756
Energy: 0.5314200516865021
Energy: 0.5714750977121572
Energy: 0.5605273036888837
Energy: 0.5680948007296842
Energy: 0.6005263943678252
Energy: 0.6110827668092619
Energy: 0.5793125549284069
Energy: 0.5944092534225451
Energy: 0.6122861206796201
Energy: 0.5910980551736009
Energy: 0.604493021310848
Energy: 0.55981877439942
Energy: 0.5611302164349566
Energy: 0.5866372744077463
Energy: 0.557906430525527
Energy: 0.5734298269903845
Energy: 0.6443699458066451
Energy: 0.6131382640657045
Energy: 0.6055321536992454
Energy: 0.5961849274883309
Energy: 0.6101921327306731
Energy: 0.5972295271029469
Energy: 0.6339833529701876
Energy: 0.5909576474649255
Energy: 0.5909834097447896
Energy: 0.5899412684614087
Energy: 0.6161998627687562
Energy: 0.5903297948222979
Energy: 0.6357439203319395
Energy: 0.5910736295601275
Energy: 0.5634961382749821
Energy: 0.5507045423581993
Energy: 0.5507577493828176
Energy: 0.5987141470107266
Energy: 0.6910764924002135
Energy: 0.6072732752090612
Energy: 0.5729431386093573
Energy: 0.5838622425541348
Energy: 0.5840038878724048
Energy: 0.60523183292722
Energy: 0.6858109528846481
Energy: 0.5770671171196036
Energy: 0.5751773621140777
Energy: 0.5844915036507925
Energy: 0.5826664208904222
Energy: 0.5863033762662242
Energy: 0.7298625262236419
Energy: 0.5807142654136819
Energy: 0.5730306821007255
Energy: 0.5774230433879118
Energy: 0.5815919604767251
Energy: 0.5774500233980436
Energy: 0.8236404418807571
Energy: 0.5383210798557704
Energy: 0.5224246613154125
Energy: 0.523839852670734
Energy: 0.5469010312800514
Energy: 0.5389892189212796

minimum gb energy = 0.5080424176039062 eV
minimum distance =  2.64167910144203 Angstroms
sigma value = 51


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

Energy: 0.8390453614916397
Energy: 0.5307190222095391
Energy: 0.530591741530437
Energy: 0.5677051254631548
Energy: 0.835043848510576
Energy: 0.5639844188277541
Energy: 0.6820397276263384
Energy: 0.5314766525971862
Energy: 0.5302433775304987
Energy: 0.5177928682551357
Energy: 0.5434516466543539
Energy: 0.5306401855533613
Energy: 0.7523179145253927
Energy: 0.5317282127656745
Energy: 0.5311312966734402
Energy: 0.5485463701338775
Energy: 0.5306717855280749
Energy: 0.5304260186389697
Energy: 0.7587474719088134
Energy: 0.5303503598900936
Energy: 0.530442467911334
Energy: 0.544676689761329
Energy: 0.5315108103695376
Energy: 0.5452428216027048
Energy: 0.6386135749662671
Energy: 0.5731918255386609
Energy: 0.5732836364908862
Energy: 0.5485550830003145
Energy: 0.5723734475348639
Energy: 0.572027471677782
Energy: 0.6380138551096236
Energy: 0.565074834458468
Energy: 0.5706112210135587
Energy: 0.5728030207059885
Energy: 0.5728469347833106
Energy: 0.5718198853511285
Energy: 0.6378991239286153
Energy: 0.5675474742487151
Energy: 0.5725969743478213
Energy: 0.5729281446051211
Energy: 0.5178745206906494
Energy: 0.5732186529857466
Energy: 0.643950643275812
Energy: 0.5289341984073872
Energy: 0.528910924888099
Energy: 0.5312738077820469
Energy: 0.5296753487828825
Energy: 0.5292792510059047
Energy: 0.5506217638385889
Energy: 0.530634984088467
Energy: 0.5291586869921454
Energy: 0.5429752324318915
Energy: 0.5297254758375899
Energy: 0.5292027323813706
Energy: 0.5506753348022212
Energy: 0.5535677234295923
Energy: 0.5300788026416975
Energy: 0.5434911687847418
Energy: 0.5354599504788957
Energy: 0.5307192896224296
Energy: 0.5700714927765164
Energy: 0.5284484971779255
Energy: 0.5283135815496034
Energy: 0.5701287420489183
Energy: 0.5298041346122435
Energy: 0.527934801891119
Energy: 0.5717321513505921
Energy: 0.5553805011500204
Energy: 0.5669720957643858
Energy: 0.5303461828344018
Energy: 0.5600695843816842
Energy: 0.5304528084784834
Energy: 0.5707262021170025
Energy: 0.5469564037612419
Energy: 0.5451485344639614
Energy: 0.5545577762094586
Energy: 0.5466882641184814
Energy: 0.5480442259354923
Energy: 0.5718868171324781
Energy: 0.5556360031319095
Energy: 0.5557078655620737
Energy: 0.5319737247975636
Energy: 0.5213531364358185
Energy: 0.5558005273193463
Energy: 0.6811653841993924
Energy: 0.5421992629484506
Energy: 0.5434614633755631
Energy: 0.5568895189811512
Energy: 0.5498654842042334
Energy: 0.5410558137378919
Energy: 0.6853216840497528
Energy: 0.547947247130765
Energy: 0.5492573247287674
Energy: 0.5616736379752885
Energy: 0.5562628571092962
Energy: 0.5593462867126227
Energy: 0.6986348292931589
Energy: 0.5559736167108135
Energy: 0.5559198133688596
Energy: 0.5638321928345584
Energy: 0.5562944656376464
Energy: 0.5489733572278246
Energy: 0.8303589875986764
Energy: 0.5396251244496769
Energy: 0.5223419306128874
Energy: 0.5285352656546173
Energy: 0.5394066809437361
Energy: 0.5228951846647909

minimum gb energy = 0.5177928682551357 eV
minimum distance =  2.68948322322862 Angstroms
sigma value = 19


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

Energy: 0.7080108666173076
Energy: 0.5173760629168798
Energy: 0.5175091694740385
Energy: 0.6016760475059694
Energy: 0.5068406656645467
Energy: 0.5181309187832323
Energy: 0.7116790889390182
Energy: 0.5041603678842186
Energy: 0.504229872433238
Energy: 0.5246992978151507
Energy: 0.5040183567606574
Energy: 0.5039757599244193
Energy: 0.60423282129417
Energy: 0.5037807060091999
Energy: 0.5041301913302605
Energy: 0.5259541148514045
Energy: 0.5038906693561911
Energy: 0.504244317334169
Energy: 0.5993140427337589
Energy: 0.504017057628674
Energy: 0.5040855967154536
Energy: 0.5204187292037394
Energy: 0.503894814689234
Energy: 0.5041844414634192
Energy: 0.6419937736183705
Energy: 0.5039760323918442
Energy: 0.5251244652897678
Energy: 0.5249890442132388
Energy: 0.5044674925274559
Energy: 0.524775737998723
Energy: 0.6058718416560089
Energy: 0.4874564269616061
Energy: 0.5238625311595959
Energy: 0.5249656278653833
Energy: 0.4874947585701833
Energy: 0.5236287389938485
Energy: 0.6056259714641057
Energy: 0.5254730383564404
Energy: 0.524446238735869
Energy: 0.5250689930948651
Energy: 0.4941575984506112
Energy: 0.5248153036155309
Energy: 0.5736864232454425
Energy: 0.48776711031611175
Energy: 0.4882470536501872
Energy: 0.5755273662658656
Energy: 0.48779490040199397
Energy: 0.4877353665352025
Energy: 0.5041517274806838
Energy: 0.4873879294508982
Energy: 0.48755337315968345
Energy: 0.5038945910794422
Energy: 0.4877745113743515
Energy: 0.48771612602697917
Energy: 0.5042750930825967
Energy: 0.5043998548967182
Energy: 0.5042823347008349
Energy: 0.504386553864615
Energy: 0.5248970370350527
Energy: 0.5044557140415167
Energy: 0.5042233891115147
Energy: 0.5182509366906748
Energy: 0.5182337009992061
Energy: 0.5042196937588493
Energy: 0.5206186024481908
Energy: 0.5039782766358274
Energy: 0.6050088408379607
Energy: 0.5247548540656548
Energy: 0.5247851562188458
Energy: 0.5037399579775261
Energy: 0.5250426406054254
Energy: 0.5039587469828966
Energy: 0.48713236151979245
Energy: 0.5245954747587342
Energy: 0.5252452924723479
Energy: 0.48845926328587913
Energy: 0.5245226914170537
Energy: 0.5254534706168623
Energy: 0.6048779085650317
Energy: 0.5251706356015723
Energy: 0.5251150656733179
Energy: 0.5039280762586564
Energy: 0.5253221554378552
Energy: 0.5252658848170029
Energy: 0.711442427290165
Energy: 0.5040060718849161
Energy: 0.5040857061709713
Energy: 0.48782264502139827
Energy: 0.5039744233658499
Energy: 0.48741661336316616
Energy: 0.7105020293130245
Energy: 0.5045282462134406
Energy: 0.48762213369251745
Energy: 0.4878605555589002
Energy: 0.50449165522397
Energy: 0.4880804468227313
Energy: 0.6048948796973093
Energy: 0.5041418907680749
Energy: 0.5042791700128918
Energy: 0.5248480228574441
Energy: 0.5037030559704189
Energy: 0.504155492133948
Energy: 0.6027467357071955
Energy: 0.504015801791084
Energy: 0.5040605340990141
Energy: 0.519946664551655
Energy: 0.5039704650480342
Energy: 0.5041230159278249
Energy: 0.5974569115966024
Energy: 0.504197107842129
Energy: 0.5041751210378188
Energy: 0.5199753419439381
Energy: 0.5040385278358435
Energy: 0.5040262153097728
Energy: 0.6044818123512202
Energy: 0.48737588508703666
Energy: 0.5244789761119043
Energy: 0.5255001955253155
Energy: 0.4876503194797015
Energy: 0.5238387839315
Energy: 0.6015480012991855
Energy: 0.5246900802092342
Energy: 0.525594371491248
Energy: 0.5256246660880103
Energy: 0.5035613209052433
Energy: 0.5248928599244329
Energy: 0.6048014349338102
Energy: 0.5248254055478769
Energy: 0.5248261496627954
Energy: 0.5246720349713228
Energy: 0.49417634488311196
Energy: 0.5249253512234728
Energy: 0.5757881128721215
Energy: 0.48791253682274166
Energy: 0.4878191516456826
Energy: 0.63567013213786
Energy: 0.48748986576120945
Energy: 0.5180433067260259
Energy: 0.5042264296186375
Energy: 0.5047551336911176
Energy: 0.5042536359112019
Energy: 0.5040956840160659
Energy: 0.5147848747710667
Energy: 0.5041699593806267
Energy: 0.5040828059893537
Energy: 0.5042362622452504
Energy: 0.5043754708677223
Energy: 0.5041104108900056
Energy: 0.5249792366458458
Energy: 0.5040623595343923
Energy: 0.5759412832748264
Energy: 0.5194776030533346
Energy: 0.5193703002919967
Energy: 0.5761730183351499
Energy: 0.5203101433623988
Energy: 0.5043764474685196
Energy: 0.6048370272798909
Energy: 0.524493603821559
Energy: 0.5254517694536599
Energy: 0.5243763532628097
Energy: 0.5248607549717609
Energy: 0.5254074155231571
Energy: 0.48714217185352315
Energy: 0.5246831945563829
Energy: 0.5241258409013891
Energy: 0.4875043382554519
Energy: 0.5249410076557345
Energy: 0.5235048323933598
Energy: 0.574054108468216
Energy: 0.5246441531343538
Energy: 0.5251759501690428
Energy: 0.49506641949397157
Energy: 0.5249183423344679
Energy: 0.5240289811251967
Energy: 0.7124804816792897
Energy: 0.5041508087642568
Energy: 0.48751375739011993
Energy: 0.4876558476721325
Energy: 0.5042189591147138
Energy: 0.4879170378805993

minimum gb energy = 0.48713236151979245 eV
minimum distance =  2.73466200359826 Angstroms
sigma value = 27


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

Energy: 0.6170021922229509
Energy: 0.5946516498007468
Energy: 0.5348974801148474
Energy: 0.4855521367871555
Energy: 0.517782320649957
Energy: 0.7116975459409557
Energy: 0.550928092670779
Energy: 0.5165786895454854
Energy: 0.5166848723317652
Energy: 0.5183797751976903
Energy: 0.5165058494466384
Energy: 0.4905395993642367
Energy: 0.5566283539691594
Energy: 0.5165239354773885
Energy: 0.5165311776304243
Energy: 0.4884944808088759
Energy: 0.5163373652864667
Energy: 0.5143665964777678
Energy: 0.4886836627388375
Energy: 0.5140565994605097
Energy: 0.5127112579122697
Energy: 0.4884789934173356
Energy: 0.5470275407640868
Energy: 0.5112352715540329
Energy: 0.6108966829707646
Energy: 0.47224105153104023
Energy: 0.4886494674644266
Energy: 0.5133595062911633
Energy: 0.47227358316077556
Energy: 0.4906799215475291
Energy: 0.5164901342995252
Energy: 0.4724682661746492
Energy: 0.4723679053862816
Energy: 0.5163040426991153
Energy: 0.47225784631948636
Energy: 0.47238926681589954
Energy: 0.5184118213722484
Energy: 0.4889222626640405
Energy: 0.49229865903398373
Energy: 0.5164472900756429
Energy: 0.4890400668617766
Energy: 0.4905460477392955
Energy: 0.51721837476208
Energy: 0.4860197088469413
Energy: 0.5072716260393024
Energy: 0.5174125558824039
Energy: 0.48507881712332374
Energy: 0.5077875081107268
Energy: 0.5553756139039712
Energy: 0.4869206962195602
Energy: 0.4896628601662168
Energy: 0.5168249852564102
Energy: 0.48511407557046443
Energy: 0.49412143486797266
Energy: 0.5580375224541082
Energy: 0.5044847760531274
Energy: 0.5038521162213173
Energy: 0.507145611325867
Energy: 0.5059998281404164
Energy: 0.5042016187363519
Energy: 0.5561733188101897
Energy: 0.5313041871788409
Energy: 0.526812484902444
Energy: 0.5067068632314518
Energy: 0.5322419648151954
Energy: 0.505692498654248
Energy: 0.5557545511446975
Energy: 0.5168051297992928
Energy: 0.4941914005148885
Energy: 0.488467952689809
Energy: 0.5170115879051843
Energy: 0.4922619808154504

minimum gb energy = 0.47224105153104023 eV
minimum distance =  2.71159921799363 Angstroms
sigma value = 9


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

Energy: 1.002853447698869
Energy: 0.5348475386458867
Energy: 0.5038653700432925
Energy: 0.5029554802418509
Energy: 0.5005120061753338
Energy: 0.5440201384674348
Energy: 0.482184272524472
Energy: 0.45679673065558857
Energy: 0.4512596623145425
Energy: 0.4605923864239435
Energy: 0.4568664298882376
Energy: 0.48209779426839644
Energy: 0.4823209861180105
Energy: 0.4516512097894288
Energy: 0.4525005356396479
Energy: 0.47004076394048977
Energy: 0.45774829543649065
Energy: 0.4609162685660056
Energy: 0.485187316120807
Energy: 0.4413194964364776
Energy: 0.4308952271592782
Energy: 0.4675970792169559
Energy: 0.47408396561290617
Energy: 0.4311199168371965
Energy: 0.518107957307989
Energy: 0.44434004168932295
Energy: 0.42560576640100606
Energy: 0.458591898075204
Energy: 0.4433376692208302
Energy: 0.4315789667618253
Energy: 0.4584743108245153
Energy: 0.4335291208008434
Energy: 0.47658669219469035
Energy: 0.4584539939181308
Energy: 0.45426703356906656
Energy: 0.4468434556700308
Energy: 0.45907006976541903
Energy: 0.4306251189674472
Energy: 0.4306719960521625
Energy: 0.45968222593310315
Energy: 0.44679648253557613
Energy: 0.45863847171277616
Energy: 0.458717447597032
Energy: 0.4818293702923149
Energy: 0.4594247226651241
Energy: 0.4585113652607097
Energy: 0.46480719599123893
Energy: 0.47053378084975794
Energy: 0.4772202575071822
Energy: 0.45059840403689627
Energy: 0.445999648363368
Energy: 0.4684043847910587
Energy: 0.45392229236233905
Energy: 0.45905376930167857
Energy: 0.44939829471918485
Energy: 0.45148955084564607
Energy: 0.43168717876923635
Energy: 0.4537037230464086
Energy: 0.4677904451751617
Energy: 0.42706960914567993
Energy: 0.4437711689685835
Energy: 0.458632307878128
Energy: 0.45867829579806246
Energy: 0.45950926917902646
Energy: 0.45867892183810416
Energy: 0.48101036848603507
Energy: 0.4772391315944229
Energy: 0.45895754450164955
Energy: 0.4586360162353761
Energy: 0.4445122522477777
Energy: 0.45914705096078307
Energy: 0.4595525476198102
Energy: 0.8747618390816877
Energy: 0.47387167718467743
Energy: 0.45168581037627425
Energy: 0.4395595972230757
Energy: 0.4737564546207615
Energy: 0.46036649337171726
Energy: 0.5250207837763647
Energy: 0.4584745449415899
Energy: 0.48032228336257926
Energy: 0.44408085242675327
Energy: 0.4590459914555664
Energy: 0.4308097583439172
Energy: 0.45682966842474537
Energy: 0.48238910127080836
Energy: 0.4812080654787698
Energy: 0.4539040613684039
Energy: 0.48441232551845875
Energy: 0.44214442631408757
Energy: 0.45716107147913315
Energy: 0.4598833669842619
Energy: 0.43126357145850674
Energy: 0.45781443604269545
Energy: 0.47212985103896465
Energy: 0.46054977238991873
Energy: 0.45638661846163214
Energy: 0.44100544121853297
Energy: 0.43085903997754704
Energy: 0.4565265892549196
Energy: 0.44037937144428774
Energy: 0.4613532476059368
Energy: 0.4838247859980902
Energy: 0.43116591353298583
Energy: 0.46481320193390757
Energy: 0.45626852051312483
Energy: 0.45439616236188446
Energy: 0.4527618719749135
Energy: 0.4813421694877684
Energy: 0.46331872532838037
Energy: 0.45465227630565386
Energy: 0.45747980961097334
Energy: 0.47115767687953986
Energy: 0.4548571823304687
Energy: 0.4823206906748117
Energy: 0.4562061154983881
Energy: 0.46289859528021243
Energy: 0.4593200826945221
Energy: 0.4629490839342409
Energy: 0.45102918955945587
Energy: 0.4826129877586044
Energy: 0.4376977303200776
Energy: 0.46195831226321304
Energy: 0.4622981979831993
Energy: 0.4580819350385241
Energy: 0.4595834074329355
Energy: 0.5194425087064878
Energy: 0.45541132208209323
Energy: 0.46224613811194243
Energy: 0.4451716702302804
Energy: 0.45665145455198847
Energy: 0.44726133271934704
Energy: 0.5171418030405772
Energy: 0.45681439471173557
Energy: 0.4530988322091808
Energy: 0.44443175118882633
Energy: 0.4568165464398901
Energy: 0.43417584059146463
Energy: 0.48187940477841035
Energy: 0.4573240659423709
Energy: 0.45142643760714196
Energy: 0.4641626515161181
Energy: 0.45844719585354066
Energy: 0.46099729113996896
Energy: 0.6319560894278855
Energy: 0.4518351619142544
Energy: 0.44044729060164006
Energy: 0.48789062782595866
Energy: 0.4558267145329841
Energy: 0.4697719179538157
Energy: 0.48223124083201935
Energy: 0.4408437899123531
Energy: 0.4313626292024375
Energy: 0.4588914022553523
Energy: 0.44452448976352543
Energy: 0.43204425944155905
Energy: 0.4442159201160156
Energy: 0.47710140748525737
Energy: 0.44778003589044546
Energy: 0.4441897022799055
Energy: 0.42726190366886446
Energy: 0.4519856623589732
Energy: 0.4585636768278506
Energy: 0.43084780518627663
Energy: 0.4315954068931558
Energy: 0.45848279903664707
Energy: 0.440995174322685
Energy: 0.45860817905090107
Energy: 0.45869755090060876
Energy: 0.44342502737298556
Energy: 0.4464751820684558
Energy: 0.458638032219268
Energy: 0.4527898975012728
Energy: 0.46988403113984273
Energy: 0.4784716397335593
Energy: 0.4821611194814518
Energy: 0.4578629530950783
Energy: 0.46838044771611925
Energy: 0.4647063816856017
Energy: 0.4318616920088993
Energy: 0.4438345630174107
Energy: 0.45043993914982944
Energy: 0.45896365635495107
Energy: 0.45755202740695416
Energy: 0.45038546234781074
Energy: 0.4805820009443709
Energy: 0.44825352427590615
Energy: 0.45867113171538165
Energy: 0.4586986207163413
Energy: 0.4538026681642817
Energy: 0.45853625394533687
Energy: 0.4257037247475973
Energy: 0.483558571798569
Energy: 0.45941193816250525
Energy: 0.45860097029118324
Energy: 0.4696888680837741
Energy: 0.46050146738691644
Energy: 0.45885823494771943
Energy: 0.4850988733917977
Energy: 0.4584543156621135
Energy: 0.45852452187406945
Energy: 0.45437661624917036
Energy: 0.4584426756687163
Energy: 0.46263809866923866
Energy: 0.48166392559126237
Energy: 0.45867863820283905
Energy: 0.47812952416597415
Energy: 0.45532209032150306
Energy: 0.45870351100306483
Energy: 0.4320153630625204
Energy: 0.48301774600741415
Energy: 0.4746631784401218
Energy: 0.4309126781442004
Energy: 0.4734454473623142
Energy: 0.47539729795694424
Energy: 0.431789212826603
Energy: 0.45730104614308614
Energy: 0.472491631154903
Energy: 0.431701981207836
Energy: 0.45774790910949803
Energy: 0.47021514542844695
Energy: 0.4515117535413557
Energy: 0.45645782493566395
Energy: 0.45937352190386715
Energy: 0.4598219511446278
Energy: 0.456242653153021
Energy: 0.4608282160202341
Energy: 0.45605304755287884
Energy: 0.4967011957221202
Energy: 0.470655529653689
Energy: 0.5031037229660473
Energy: 0.49659438927149807
Energy: 0.4407881080335233
Energy: 0.47779049773640203
Energy: 0.48296289633347955
Energy: 0.45929536458715864
Energy: 0.46396394995779877
Energy: 0.4564199682906872
Energy: 0.4609808591918653
Energy: 0.45348253842955233
Energy: 0.4800721819991434
Energy: 0.458717939054681
Energy: 0.4589467187189327
Energy: 0.46471519548739976
Energy: 0.46544116105864225
Energy: 0.4608687035093238
Energy: 0.4816682128274975
Energy: 0.4644349025213548
Energy: 0.46034764087351293
Energy: 0.4564734781042581
Energy: 0.46330345705788567
Energy: 0.45206415296785724
Energy: 0.5172640457714935
Energy: 0.4566171380579721
Energy: 0.4514635864325279
Energy: 0.4443603244809105
Energy: 0.45677108683317147
Energy: 0.43417757788236166

minimum gb energy = 0.42560576640100606 eV
minimum distance =  2.68720929423618 Angstroms
sigma value = 57


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

Energy: 0.2084334644051661
Energy: 0.21593928991652794
Energy: 0.2153606715634284
Energy: 0.2102649710592876
Energy: 0.24002536823086604
Energy: 0.20929407817683338
Energy: 0.20912469578060416
Energy: 0.22207711697461105
Energy: 0.22208175553306797
Energy: 0.2359669678764432
Energy: 0.2374823192800721
Energy: 0.23120097214412638
Energy: 0.2666833166253853
Energy: 0.23852401772743606
Energy: 0.2399581252406516
Energy: 0.2375227230698832
Energy: 0.23825614124031172
Energy: 0.24383344108742877
Energy: 0.26668811855085045
Energy: 0.23859473298256412
Energy: 0.23958071358395855
Energy: 0.23859960951788448
Energy: 0.26783889566479535
Energy: 0.2439462256662267
Energy: 0.2641437432561495
Energy: 0.2097227134200247
Energy: 0.2282856167230784
Energy: 0.26517525650359447
Energy: 0.20941687181963745
Energy: 0.2227765482682774
Energy: 0.23818189582764926
Energy: 0.20940194667902368
Energy: 0.21005858309476835
Energy: 0.22155627317315787
Energy: 0.20936004598448998
Energy: 0.2259158320583261
Energy: 0.23452144479935713
Energy: 0.2216684666543157
Energy: 0.22235370864767293
Energy: 0.23527748649349975
Energy: 0.2453880621859989
Energy: 0.2255502090124015
Energy: 0.238092874823796
Energy: 0.24041884290585555
Energy: 0.23932402091397195
Energy: 0.2379988256981732
Energy: 0.24610096875420862
Energy: 0.23953765650143066
Energy: 0.2638106393898781
Energy: 0.23855905908784347
Energy: 0.24240881433503483
Energy: 0.2669308995643354
Energy: 0.23735634433478595
Energy: 0.2427086634270147
Energy: 0.20911189418874682
Energy: 0.23867189088392105
Energy: 0.2270348338446709
Energy: 0.20914256914219878
Energy: 0.23751745146873976
Energy: 0.22639405662828718
Energy: 0.20905515815431439
Energy: 0.22161458755726737
Energy: 0.22223550233952802
Energy: 0.20908494023880408
Energy: 0.22131983709459108
Energy: 0.22736337384440536
Energy: 0.26507875984171486
Energy: 0.23879176667934018
Energy: 0.24339994654476216
Energy: 0.23788998028881486
Energy: 0.23739438037171964
Energy: 0.22319624202387991
Energy: 0.26641786778224613
Energy: 0.26660709123232657
Energy: 0.26595364102971625
Energy: 0.2472136196195197
Energy: 0.2663874762553877
Energy: 0.2661874031883762
Energy: 0.26420306838000146
Energy: 0.2385283350492681
Energy: 0.23974647727543452
Energy: 0.2662176570218638
Energy: 0.23700680500505253
Energy: 0.22317843791562958
Energy: 0.266340066326364
Energy: 0.2090360976904529
Energy: 0.20908293840826891
Energy: 0.23890971198472533
Energy: 0.21205839226457843
Energy: 0.20995371490519738
Energy: 0.23671152878528468
Energy: 0.24279418103409176
Energy: 0.223664594279872
Energy: 0.2372388549514284
Energy: 0.20953128696894124
Energy: 0.22224226463775282
Energy: 0.23813598321872542
Energy: 0.24305890051034548
Energy: 0.23164313907586023
Energy: 0.2382035667721002
Energy: 0.2379517893137868
Energy: 0.24335317035632348
Energy: 0.2676814051085449
Energy: 0.2443589222418267
Energy: 0.24058879410953973
Energy: 0.26809140726045905
Energy: 0.23900832637119604
Energy: 0.2394860273271322
Energy: 0.20905971565198636
Energy: 0.22226058015177372
Energy: 0.222675126474711
Energy: 0.2092314447236522
Energy: 0.2670265057137872
Energy: 0.24214410533868555

minimum gb energy = 0.2084334644051661 eV
minimum distance =  2.73660645097546 Angstroms
sigma value = 11


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

Energy: 0.8107548272480382
Energy: 0.36445701776090467
Energy: 0.42319682222805993
Energy: 0.3932646981834804
Energy: 0.45864143564622895
Energy: 0.4261614481933553
Energy: 0.38256127378132
Energy: 0.37122948665699157
Energy: 0.3858864463006045
Energy: 0.3760037185134386
Energy: 0.36839588357196124
Energy: 0.36679071209643127
Energy: 0.36891284564373333
Energy: 0.3790101333950588
Energy: 0.37296688306109854
Energy: 0.3700101523592261
Energy: 0.3749490317857975
Energy: 0.3693804563166448
Energy: 0.3685868218770162
Energy: 0.39095841936093484
Energy: 0.38951009576489876
Energy: 0.3695283899095664
Energy: 0.3681520505573071
Energy: 0.37823613549566787
Energy: 0.3706155681629792
Energy: 0.41687796763057816
Energy: 0.4235721657890117
Energy: 0.37095551881225003
Energy: 0.3948854839019971
Energy: 0.3832266907751173
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Energy: 0.40194247191100146
Energy: 0.39615140675599464
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Energy: 0.39270188842713655
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Energy: 0.3666417186974962
Energy: 0.408631247996353
Energy: 0.6407094858860869
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Energy: 0.4244500357441149
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Energy: 0.42857841990364104
Energy: 0.42617718411083316
Energy: 0.4867881718182504
Energy: 0.4280378870650196
Energy: 0.38159232618963357
Energy: 0.3942230165013769
Energy: 0.544724633751407
Energy: 0.41421065806950497
Energy: 0.42189658075675973
Energy: 0.38073547902802884
Energy: 0.3977212413131683
Energy: 0.42218024603526827
Energy: 0.5908680775871632
Energy: 0.39532693232239424
Energy: 0.384669835085875
Energy: 0.485442125197577
Energy: 0.45844275573492227
Energy: 0.38519390133972253
Energy: 0.6870637237851482
Energy: 0.3948367447637338
Energy: 0.3956437626077966
Energy: 0.3783255272194935
Energy: 0.3934997114869672
Energy: 0.42395860012456216
Energy: 0.5534681378870128
Energy: 0.38183664262231604
Energy: 0.3879957548070729
Energy: 0.3666720132762445
Energy: 0.38022958270506746
Energy: 0.4055139663885834
Energy: 0.48848020554902105
Energy: 0.4317659711213009
Energy: 0.42547735246847646
Energy: 0.46466385305751606
Energy: 0.42669492446647794
Energy: 0.3846105429465023
Energy: 0.5443582335655183
Energy: 0.42166607307382087
Energy: 0.4245154751124716
Energy: 0.3680321331734951
Energy: 0.4106615332260345
Energy: 0.3953065514331147
Energy: 0.3838772603673502
Energy: 0.38069784787264754
Energy: 0.39971681204223475
Energy: 0.38515273704618025
Energy: 0.37980420695990896
Energy: 0.4045367792765598
Energy: 0.3666423689914293
Energy: 0.3830762685004423
Energy: 0.3947056409705539
Energy: 0.3670395570430774
Energy: 0.3966089578152964
Energy: 0.3994169523462138
Energy: 0.3726521272163062
Energy: 0.3758395576462135
Energy: 0.3782425725743851
Energy: 0.3737599091184985
Energy: 0.37142145080976435
Energy: 0.366325857525619
Energy: 0.4210311775199217
Energy: 0.3721179001065514
Energy: 0.3714221297477061
Energy: 0.4221629354911642
Energy: 0.36909165163538826
Energy: 0.37559072437928126
Energy: 0.42057032005554257
Energy: 0.3861022877929269
Energy: 0.38242676635266715
Energy: 0.3803509177299681
Energy: 0.38590885339163283
Energy: 0.4227693806953469

minimum gb energy = 0.3572489416547708 eV
minimum distance =  2.66526965650666 Angstroms
sigma value = 41


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

Energy: 0.7896711655119514
Energy: 0.40831198301475213
Energy: 0.4079528644608585
Energy: 0.4631043911450935
Energy: 0.4323462913346922
Energy: 0.4635092126128967
Energy: 0.41077085094035926
Energy: 0.4010431163397779
Energy: 0.406906901098639
Energy: 0.3963337649299087
Energy: 0.39404483196593204
Energy: 0.4067225545932747
Energy: 0.3944331706117017
Energy: 0.39556283274358617
Energy: 0.3943362161327299
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Energy: 0.40713537944763345
Energy: 0.40755281028085233
Energy: 0.3944208206210667
Energy: 0.3955409703506811
Energy: 0.40291050096328607
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Energy: 0.44492749931829656
Energy: 0.4067179549757928
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Energy: 0.39473444340286806
Energy: 0.4433353229077898
Energy: 0.4074231760335517
Energy: 0.41818224830955225
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Energy: 0.403237134803626
Energy: 0.3943212345186495
Energy: 0.41171858637641945
Energy: 0.4081728406650539
Energy: 0.41101073168530305
Energy: 0.42301456883759714
Energy: 0.42305352178726346
Energy: 0.41333293855530523
Energy: 0.4227421453030608
Energy: 0.3900176171236097
Energy: 0.44412475511821087
Energy: 0.40060658039797326
Energy: 0.4071780501530804
Energy: 0.4142610575652555
Energy: 0.43834078298647694
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Energy: 0.42309970722415663
Energy: 0.39606887362146
Energy: 0.4074814791704238
Energy: 0.566961790194089
Energy: 0.41660255589290196
Energy: 0.3947692362967201
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Energy: 0.39555508213072926
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Energy: 0.46128227580880266
Energy: 0.39581343536514424
Energy: 0.37559693470752603
Energy: 0.5084190840097533
Energy: 0.3763087395778581
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Energy: 0.4228715132194426
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Energy: 0.4235640701341716
Energy: 0.3936508351283861
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Energy: 0.41104310433417485
Energy: 0.3943826707029711
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Energy: 0.41353426596496345
Energy: 0.513209777435722
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Energy: 0.3936597444419719
Energy: 0.4091410165960616
Energy: 0.41549291570498587
Energy: 0.39393022720261667
Energy: 0.409125862119063
Energy: 0.3947815276393601
Energy: 0.3959150735458019
Energy: 0.4034803694798872
Energy: 0.39493522690463073
Energy: 0.39439791735415725
Energy: 0.39458065302343004
Energy: 0.39377000255426614
Energy: 0.39429423104465144
Energy: 0.3940472534560296
Energy: 0.39398067046376906
Energy: 0.39511143219014366
Energy: 0.39420841599319817
Energy: 0.3933592901376646
Energy: 0.39447117801358333
Energy: 0.4067497754532424
Energy: 0.39358678157269816
Energy: 0.39782228180829277
Energy: 0.40660644832052706
Energy: 0.4462635383859096
Energy: 0.4358828980358867
Energy: 0.4822150678903169
Energy: 0.4461026272753548
Energy: 0.4195150917345781
Energy: 0.47850213480210274
Energy: 0.4443133886338097
Energy: 0.4021860927743197
Energy: 0.40668473183140874
Energy: 0.39396482747167827
Energy: 0.41173085519346303
Energy: 0.40705740559956266
Energy: 0.410636797371295
Energy: 0.4247037998388292
Energy: 0.39768167016853806
Energy: 0.4126948085403659
Energy: 0.42411429701942527
Energy: 0.3899408990341052
Energy: 0.4446212026961152
Energy: 0.39443275285022716
Energy: 0.4030766252998228
Energy: 0.4125018087335561
Energy: 0.3968302490179475
Energy: 0.4069634198606327
Energy: 0.5666660963052951
Energy: 0.4153021705917752
Energy: 0.41678964383437545
Energy: 0.39429349348367215
Energy: 0.3951281134090772
Energy: 0.3928085653592898
Energy: 0.5657226608664494
Energy: 0.4148874406418652
Energy: 0.41644277508000865
Energy: 0.3941813890436354
Energy: 0.3955562719132135
Energy: 0.397709120193632
Energy: 0.44329741943149137
Energy: 0.39097040371233976
Energy: 0.445642081516737
Energy: 0.41416409072224375
Energy: 0.39754694784591066
Energy: 0.3943776439119996
Energy: 0.3953106639720444
Energy: 0.4167702242757671
Energy: 0.41666757191634984
Energy: 0.3952452654709769
Energy: 0.41799890051572364
Energy: 0.41619275261965516
Energy: 0.4375831033379813
Energy: 0.41390551809446396
Energy: 0.3956538063553274
Energy: 0.4379969112951022
Energy: 0.41613213489950346
Energy: 0.4065394799391192
Energy: 0.39593403925424664
Energy: 0.3945555903702652
Energy: 0.39627725278367826
Energy: 0.39597483549352647
Energy: 0.4033934516373723
Energy: 0.3960796302098585
Energy: 0.3941157313529608
Energy: 0.3945709101415906
Energy: 0.39507400700956163
Energy: 0.39837198325729434
Energy: 0.3945590931597651
Energy: 0.39445889957460273
Energy: 0.7196285087234469
Energy: 0.41694317457362734
Energy: 0.4116001410014716
Energy: 0.37834029106101263
Energy: 0.39382518161732716
Energy: 0.41207875008565725

minimum gb energy = 0.37559693470752603 eV
minimum distance =  2.68409411879273 Angstroms
sigma value = 33


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

Energy: 0.5908289186538075
Energy: 0.4430550893070546
Energy: 0.44173362475925143
Energy: 0.46054092911567795
Energy: 2.1696360656441365
Energy: 0.44134697663023253
Energy: 0.45204696580820347
Energy: 0.4344603132651496
Energy: 0.4329067870431566
Energy: 0.45447238727481243
Energy: 0.4457781031351973
Energy: 0.43319583075617435
Energy: 0.44326130818476767
Energy: 0.43320127406786474
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Energy: 0.443483731019121
Energy: 0.433463438602073
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Energy: 0.4536548751140298
Energy: 0.436140847559328
Energy: 0.4383179195366774
Energy: 0.44370089847488803
Energy: 0.43444044061228676
Energy: 0.43823096512535364
Energy: 0.4437344860492873
Energy: 0.43566124603691464
Energy: 0.43683249207099845
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Energy: 0.43789035645486823
Energy: 0.4231321369266018
Energy: 0.52926779518844
Energy: 0.4242727506127131
Energy: 0.42846440575094724
Energy: 0.45428468221363444
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Energy: 0.4325831971761098
Energy: 0.4502490383395051
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Energy: 0.46769697029826196
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Energy: 0.4347229186455333
Energy: 0.43343416516423805
Energy: 0.4321465983919655
Energy: 0.44866494657184464
Energy: 0.4351816982883774
Energy: 0.5026071248424373
Energy: 0.4329668284731672
Energy: 0.4507939357356084
Energy: 0.41911967512811477
Energy: 0.49153770266319086
Energy: 0.41282910325747507

minimum gb energy = 0.40389781462689933 eV
minimum distance =  2.67499473184122 Angstroms
sigma value = 67


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

Energy: 0.6172978382303143
Energy: 0.44471608859500167
Energy: 0.4450499461559103
Energy: 0.44809532179738254
Energy: 0.46551194839656423
Energy: 0.44541313289084894
Energy: 0.48383948909096397
Energy: 0.43550487428466034
Energy: 0.43497474195765456
Energy: 0.43447765535777916
Energy: 0.4397815469517247
Energy: 0.4346232744063523
Energy: 0.4536696668698971
Energy: 0.41909298578622334
Energy: 0.43531375436591263
Energy: 0.43448392662700785
Energy: 0.4174712815853762
Energy: 0.435111635623443
Energy: 0.45289501753978667
Energy: 0.4345024716065319
Energy: 0.43492597916804626
Energy: 0.43663208890823124
Energy: 0.43432708035665196
Energy: 0.43481170036229866
Energy: 0.45662666248326356
Energy: 0.43559553478066554
Energy: 0.43616022869882093
Energy: 0.4570411440469553
Energy: 0.4352532362809265
Energy: 0.43683762391346015
Energy: 0.457764277875593
Energy: 0.4410651819459986
Energy: 0.43808075018766274
Energy: 0.45803926488263697
Energy: 0.44082837401475417
Energy: 0.438176514209338
Energy: 0.4838056245134755
Energy: 0.4346167313341042
Energy: 0.43408644253849804
Energy: 0.4658026270932662
Energy: 0.44216983974065005
Energy: 0.4338829882311917

minimum gb energy = 0.4174712815853762 eV
minimum distance =  2.74280946127284 Angstroms
sigma value = 3


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

Energy: 0.8257392870169841
Energy: 0.5499661670618029
Energy: 0.5046150626844268
Energy: 0.4899612177983913
Energy: 0.8329234462110064
Energy: 0.5071049304549022
Energy: 0.47599374908146014
Energy: 0.517776806171188
Energy: 0.4785068004470464
Energy: 0.49564207780953135
Energy: 0.5042605727030176
Energy: 0.47902711793547237
Energy: 0.48486958562478255
Energy: 0.4774084586812347
Energy: 0.4771983971655039
Energy: 0.48508131158864626
Energy: 0.4770702326928678
Energy: 0.48262313214599695
Energy: 0.47916526989169395
Energy: 0.48100174403898993
Energy: 0.4802181605028918
Energy: 0.4801557084636576
Energy: 0.47693661043875335
Energy: 0.4799884039079261
Energy: 0.4877898919346426
Energy: 0.47791479615333454
Energy: 0.4777898110161674
Energy: 0.48856006096890287
Energy: 0.5030426599562328
Energy: 0.47865933606913624
Energy: 0.4779270246753638
Energy: 0.4777925505513813
Energy: 0.4781269521708209
Energy: 0.47796397131851015
Energy: 0.5019036457089489
Energy: 0.4786874552870811
Energy: 0.4774809319685531
Energy: 0.5106845121508752
Energy: 0.5031432204338288
Energy: 0.49465144701047015
Energy: 0.5142519196484174
Energy: 0.5017156690607926
Energy: 0.5800209950609216
Energy: 0.5208579694794029
Energy: 0.4975269123991197
Energy: 0.48139672788581817
Energy: 0.506738154622401
Energy: 0.4986958932157757
Energy: 0.4793312326605752
Energy: 0.48317410078588363
Energy: 0.4823302822008501
Energy: 0.4974233868685099
Energy: 0.4978447191492497
Energy: 0.5145203526520585
Energy: 0.599113746486576
Energy: 0.47800883945002876
Energy: 0.477830804833237
Energy: 0.5239161084428351
Energy: 0.4783272097297457
Energy: 0.5075418155036454
Energy: 0.4919963986400079
Energy: 0.48225301667315723
Energy: 0.4984192456171861
Energy: 0.4924755601001131
Energy: 0.4923395150318211
Energy: 0.5038528708728656
Energy: 0.5259820432775588
Energy: 0.479970300720367
Energy: 0.47900691613021956
Energy: 0.5171862378764835
Energy: 0.4869597185486347
Energy: 0.47828768325233884
Energy: 0.5007432832339959
Energy: 0.4791923320385498
Energy: 0.4795850184832808
Energy: 0.5105271423482117
Energy: 0.4787437973392035
Energy: 0.4785101114183019
Energy: 0.5297488281824165
Energy: 0.48236886809320395
Energy: 0.47881657072306616
Energy: 0.505305066215582
Energy: 0.47907343240953715
Energy: 0.47871176008343624
Energy: 0.524929116828705
Energy: 0.4879383118377757
Energy: 0.4871524280180536
Energy: 0.4775662641592093
Energy: 0.48780741140527956
Energy: 0.4829193505279592
Energy: 0.4960338152471912
Energy: 0.482962805196683
Energy: 0.47801156027352526
Energy: 0.48358227158920525
Energy: 0.4928712128405449
Energy: 0.4783494209718406
Energy: 0.581569520540856
Energy: 0.4976977389415919
Energy: 0.49098464390085284
Energy: 0.5820606939721253
Energy: 0.4786132127899229
Energy: 0.514720775841425
Energy: 0.49536220527697017
Energy: 0.5142184163338875
Energy: 0.49915850121236854
Energy: 0.49766666080277344
Energy: 0.4936669126374215
Energy: 0.49577228020681036
Energy: 0.5558928478538911
Energy: 0.48476523867286203
Energy: 0.4805786367519629
Energy: 0.48007433167550295
Energy: 0.4991498111928224
Energy: 0.47864828769644124
Energy: 0.5509693747960014
Energy: 0.49465720845235805
Energy: 0.49754827922002043
Energy: 0.48158485456593875
Energy: 0.49196852987475126
Energy: 0.4799558586236756
Energy: 0.4897445253520389
Energy: 0.49531436783625404
Energy: 0.4954921155534793
Energy: 0.4944701645802561
Energy: 0.4899985981759535
Energy: 0.4926623513063677
Energy: 0.4906169283280317
Energy: 0.49319194414508055
Energy: 0.4952177408058868
Energy: 0.4980499150732637
Energy: 0.4918433491999973
Energy: 0.49517258263824365
Energy: 0.49527106340000493
Energy: 0.493100613843899
Energy: 0.49403719685038966
Energy: 0.4961452932011838
Energy: 0.5040145217402988
Energy: 0.5011738297429118
Energy: 0.4928626920490405
Energy: 0.4827750662321781
Energy: 0.4815115555095602
Energy: 0.49341360988698924
Energy: 0.4832791179344085
Energy: 0.494119551458205
Energy: 0.48058603960812213
Energy: 0.5002713813172504
Energy: 0.47960659505658293
Energy: 0.5150466345971595
Energy: 0.4827310453951047
Energy: 0.4785892861420319
Energy: 0.6054755168676548
Energy: 0.5115896591181218
Energy: 0.4963510452356103
Energy: 0.49373732238807866
Energy: 0.5567133470153703
Energy: 0.4977165284900813
Energy: 0.4785608534312719
Energy: 0.51016585799193
Energy: 0.48927125227375245
Energy: 0.5004810139916209
Energy: 0.5256218736086372
Energy: 0.49737156453094805
Energy: 0.48288675312966695
Energy: 0.4794190611416626
Energy: 0.4790261489775504
Energy: 0.5109473736034571
Energy: 0.505305499694626
Energy: 0.47845465369272644
Energy: 0.4869184209987693
Energy: 0.4777184850433144
Energy: 0.47744428308305326
Energy: 0.4864918507871474
Energy: 0.4785039439022012
Energy: 0.4828258754851848
Energy: 0.47841351191509707
Energy: 0.479118737705323
Energy: 0.47788256064372014
Energy: 0.4794490590651256
Energy: 0.5055360944922396
Energy: 0.47750394104305505
Energy: 0.4780392576510797
Energy: 0.4791824713896993
Energy: 0.47909764127827437
Energy: 0.4781495862326864
Energy: 0.47978175745863977
Energy: 0.47939398999273036
Energy: 0.4848076777272125
Energy: 0.5069781771196474
Energy: 0.4816951384946883
Energy: 0.49715582217716797
Energy: 0.5158803950422038
Energy: 0.47786182026864393
Energy: 0.5785683015398955
Energy: 0.5125367940352864
Energy: 0.5103027375572502
Energy: 0.47876760141282687
Energy: 0.5282719422885831
Energy: 0.49783219494618747
Energy: 0.5169132327229073
Energy: 0.47964161421821117
Energy: 0.4791228019266648
Energy: 0.4835736690716079
Energy: 0.520171291336191
Energy: 0.480012099365556
Energy: 0.47760702825701096
Energy: 0.4989228019135918
Energy: 0.47674367284933006
Energy: 0.48783423599062076
Energy: 0.48415092470824267
Energy: 0.4781599707190353
Energy: 0.5257155989889734
Energy: 0.47787558488118564
Energy: 0.4779834440581725
Energy: 0.5265535521974261
Energy: 0.4783530625016332
Energy: 0.5077412552097009
Energy: 0.5011911224584166
Energy: 0.4795713633342402
Energy: 0.4785293445385294
Energy: 0.5016247035251424
Energy: 0.49818797401094655
Energy: 0.48289422234963436
Energy: 0.6186607986233378
Energy: 0.47923218151989344
Energy: 0.4788920452149877
Energy: 0.4785236958019942
Energy: 0.47964117380513144
Energy: 0.5074582171766402
Energy: 0.5349908655900243
Energy: 0.48422010651489306
Energy: 0.47794605397262935
Energy: 0.4952630578474208
Energy: 0.4808496201734561
Energy: 0.4775443045055412
Energy: 0.5264509508103141
Energy: 0.4821878043681606
Energy: 0.4833454506717586
Energy: 0.4812292384099575
Energy: 0.4855323799155504
Energy: 0.48323831754691426
Energy: 0.4898152694767708
Energy: 0.4833398302429594
Energy: 0.4789044323459458
Energy: 0.4859851473684573
Energy: 0.513121630320722
Energy: 0.47930765160414124
Energy: 0.5708654043935685
Energy: 0.49986947672993776
Energy: 0.5013138374501374
Energy: 0.5703574041852433
Energy: 0.4794435444932217
Energy: 0.49404032521806995
Energy: 0.5606392841056611
Energy: 0.4789265767484891
Energy: 0.496335278018279
Energy: 0.5734792600560958
Energy: 0.479097744606179
Energy: 0.5024778235495391
Energy: 0.4953459426379446
Energy: 0.48236515773472327
Energy: 0.4780358028835411
Energy: 0.4821163019300551
Energy: 0.49275651833351336
Energy: 0.47894875115753227
Energy: 0.7139235708799897
Energy: 0.49439422565928715
Energy: 0.5262767428149415
Energy: 0.4992654351439513
Energy: 0.49356816146233634
Energy: 0.5260355114592148
Energy: 0.49625436048995814
Energy: 0.499032095662258
Energy: 0.5002288385289606
Energy: 0.5025528217364474
Energy: 0.495202593929208
Energy: 0.5000796561349361
Energy: 0.4905948191206741
Energy: 0.4918012425643199
Energy: 0.49507292523649254
Energy: 0.49107679499810714
Energy: 0.49659621552658073
Energy: 0.49534233556384927
Energy: 0.4899847128784392
Energy: 0.49279697284487356
Energy: 0.4938262392141713
Energy: 0.49033574064460916
Energy: 0.49401360735329347
Energy: 0.493317611388893
Energy: 0.4902589303230242
Energy: 0.47940013449088786
Energy: 0.4989615038762599
Energy: 0.4912323145332058
Energy: 0.4788419548258841
Energy: 0.4983851602102135
Energy: 0.4823575341234077
Energy: 0.480225818092652
Energy: 0.47913636146830024
Energy: 0.4923053162620322
Energy: 0.4788408305506349
Energy: 0.48152389949350893
Energy: 0.47588255218487674
Energy: 0.5033934191975465
Energy: 0.4948207679636583
Energy: 0.5043937206752337
Energy: 0.4807347108577456
Energy: 0.5031596490519861

minimum gb energy = 0.47588255218487674 eV
minimum distance =  2.69201928732952 Angstroms
sigma value = 81


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

Energy: 0.8903478153663514
Energy: 0.4864336844511066
Energy: 0.45206054508180515
Energy: 0.4551573640320961
Energy: 0.7312016638626582
Energy: 0.4835187804974757
Energy: 0.48831868715230076
Energy: 0.46716996755884277
Energy: 0.4849463601150559
Energy: 0.49486783260382006
Energy: 0.4808180351133765
Energy: 0.46913795031575656
Energy: 0.5082795489828705
Energy: 0.5065771978069622
Energy: 0.4932948356605284
Energy: 0.48612001090641566
Energy: 0.4950533105904375
Energy: 0.46579024457877266
Energy: 0.5082300714479693
Energy: 0.49669567537021325
Energy: 0.5287484441635724
Energy: 0.5115274366560554
Energy: 0.47971315716555174
Energy: 0.4678970103447222
Energy: 0.5065599169750442
Energy: 0.5198347132499284
Energy: 0.5215000244098466
Energy: 0.5096947530959951
Energy: 0.5234044472046282
Energy: 0.5188590976721882
Energy: 0.5152314351073917
Energy: 0.5219167901515052
Energy: 0.5210504532311373
Energy: 0.525019145758312
Energy: 0.530301241036496
Energy: 0.5210411647908222
Energy: 0.5047547760032812
Energy: 0.527264223190303
Energy: 0.5272813209950066
Energy: 0.5186601507309679
Energy: 0.5134726295133034
Energy: 0.523852790487115
Energy: 0.5792647039370032
Energy: 0.5786929038193679
Energy: 0.5634616999024328
Energy: 0.48966396226277875
Energy: 0.5779083041497091
Energy: 0.5183289060244034
Energy: 0.5051195362728976
Energy: 0.5350771149723803
Energy: 0.5335788844173651
Energy: 0.5131098678992324
Energy: 0.520894794164128
Energy: 0.513144357326606
Energy: 0.529662342952952
Energy: 0.44917286827319197
Energy: 0.449139656372994
Energy: 0.521418514850248
Energy: 0.44879937330415876
Energy: 0.4489580690190826
Energy: 0.5143928823243368
Energy: 0.4487215206715895
Energy: 0.44869247129522943
Energy: 0.5143251614346678
Energy: 0.4499350473604022
Energy: 0.511026481529958
Energy: 0.47986410600848106
Energy: 0.5419164516701348
Energy: 0.5344003116262226
Energy: 0.4802118209244738
Energy: 0.5215820958181572
Energy: 0.5167897400434808
Energy: 0.48037433081971587
Energy: 0.5133589231019985
Energy: 0.5293269879751314
Energy: 0.482527068669943
Energy: 0.5130613028492771
Energy: 0.4986297639138162
Energy: 0.5119294546833244
Energy: 0.5103531447511191
Energy: 0.5181023336175741
Energy: 0.5183479618767678
Energy: 0.5077802676907989
Energy: 0.5182802034796833
Energy: 0.5841584580646512
Energy: 0.5380947203814188
Energy: 0.528526534529271
Energy: 0.5241424449695
Energy: 0.5296746179371674
Energy: 0.5233806743880411
Energy: 0.5117082555197732
Energy: 0.5190211402361175
Energy: 0.5197871804881166
Energy: 0.5121584457199653
Energy: 0.5160974497127184
Energy: 0.5206478799225234
Energy: 0.5837788410301736
Energy: 0.4812556797576542
Energy: 0.5065569671981514
Energy: 0.5837648931525761
Energy: 0.4817883044006249
Energy: 0.5060775687514646
Energy: 0.5035142161870411
Energy: 0.5013358810965218
Energy: 0.5407172700238339
Energy: 0.5253117781027029
Energy: 0.5166017588013416
Energy: 0.5378374555504514
Energy: 0.44983173100135737
Energy: 0.5176806814214868
Energy: 0.4485550877990082
Energy: 0.46565379478793056
Energy: 0.5134100935548507
Energy: 0.4488640515905088
Energy: 0.4495829862593465
Energy: 0.5188058203188356
Energy: 0.44868765661452437
Energy: 0.4486563236658228
Energy: 0.5139463282619109
Energy: 0.4487709621345268
Energy: 0.5018308881859074
Energy: 0.5016064755505704
Energy: 0.4993605242234674
Energy: 0.5237629564770715
Energy: 0.5232159413754254
Energy: 0.539360163668802
Energy: 0.5158088440837973
Energy: 0.4795075281063104
Energy: 0.5171013083291373
Energy: 0.5108372848633572
Energy: 0.4790971500230792
Energy: 0.5166123769252721
Energy: 0.5074770276068368
Energy: 0.5290357374223904
Energy: 0.5202623891579268
Energy: 0.508595980792307
Energy: 0.5168841300270053
Energy: 0.5186762237577434
Energy: 0.5152355704677855
Energy: 0.522428609321511
Energy: 0.5220715583804952
Energy: 0.5218935790709187
Energy: 0.5276442406072512
Energy: 0.522792327779595
Energy: 0.5102053552588344
Energy: 0.5262113871670109
Energy: 0.5203013241585108
Energy: 0.5164239015622885
Energy: 0.5159498084846943
Energy: 0.5197723560855271
Energy: 0.49329133393847147
Energy: 0.5529702840747274
Energy: 0.5531063673170007
Energy: 0.5054502046001501
Energy: 0.559745275216767
Energy: 0.5546594826839312
Energy: 0.4917064403325761
Energy: 0.5648025760971606
Energy: 0.5363253361142043
Energy: 0.5041379053809565
Energy: 0.5654406103250692
Energy: 0.5354696196585856
Energy: 0.5113621753521287
Energy: 0.4489201790487235
Energy: 0.5114700059966566
Energy: 0.5140710423468169
Energy: 0.4499161471913493
Energy: 0.5106245367298367
Energy: 0.521978959860873
Energy: 0.449616001934826
Energy: 0.44945995236647857
Energy: 0.5137945842686037
Energy: 0.44874533794562393
Energy: 0.44925053839202894
Energy: 0.508985825422218
Energy: 0.5196536743210002
Energy: 0.5121776419757467
Energy: 0.5133542952269496
Energy: 0.5204274954388097
Energy: 0.5110482827519208
Energy: 0.4796668844087833
Energy: 0.5636047645028059
Energy: 0.5154266524145649
Energy: 0.49497459553648215
Energy: 0.5423818276864966
Energy: 0.4808919418780116
Energy: 0.5105527530210985
Energy: 0.5090830516629883
Energy: 0.5093699716105461
Energy: 0.5191673135897827
Energy: 0.5083013216372054
Energy: 0.5332178621874899
Energy: 0.5127525144403835
Energy: 0.5180722888312524
Energy: 0.518540748538827
Energy: 0.5217677653471542
Energy: 0.5168325996007683
Energy: 0.5204382392890722
Energy: 0.5098553564667403
Energy: 0.5174221289383477
Energy: 0.5191682876808303
Energy: 0.514193742612502
Energy: 0.5194836719300459
Energy: 0.5185043051951008
Energy: 0.5139065248985
Energy: 0.4741667494994876
Energy: 0.5298749921761297
Energy: 0.5160436316319383
Energy: 0.5047981836814915
Energy: 0.48658854284170006
Energy: 0.5877014986787877
Energy: 0.4813924875339624
Energy: 0.48119453923606137
Energy: 0.5461495701211387
Energy: 0.4761739473882519
Energy: 0.4998390030606306
Energy: 0.5062851211410455
Energy: 0.4676563452395485
Energy: 0.4850463549858229
Energy: 0.4953217180718343
Energy: 0.47996645774407926
Energy: 0.4686885574977239
Energy: 0.578728916567788
Energy: 0.49461231115289583
Energy: 0.45209830710697857
Energy: 0.44914521234219873
Energy: 0.4846202438838275
Energy: 0.483661870844582

minimum gb energy = 0.4485550877990082 eV
minimum distance =  2.68822416728434 Angstroms
sigma value = 43


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

Energy: 0.9116776206666865
Energy: 0.5757658730514809
Energy: 0.5266531105727337
Energy: 0.4942889665843684
Energy: 0.5442318235088973
Energy: 0.48999827910288923
Energy: 0.46522965630088225
Energy: 0.4756467896049956
Energy: 0.4732062177097328
Energy: 0.507593861997716
Energy: 0.47675002282057766
Energy: 0.47628589790790404
Energy: 0.47684657311688344
Energy: 0.4669895431631516
Energy: 0.4673863787898281
Energy: 0.49573093537791396
Energy: 0.4664523094240246
Energy: 0.4762959801728106
Energy: 0.47611600690150296
Energy: 0.46534523282376256
Energy: 0.48402234091225255
Energy: 0.4768754662463583
Energy: 0.486158159501548
Energy: 0.47683921508895233
Energy: 0.47654241801951663
Energy: 0.49173416424566846
Energy: 0.49540230583044714
Energy: 0.4767961131202842
Energy: 0.4935877927819021
Energy: 0.49647145999911246
Energy: 0.4771425720249596
Energy: 0.4957179864695822
Energy: 0.4943416041226275
Energy: 0.49517136610564144
Energy: 0.47712688286196553
Energy: 0.49359099641450493
Energy: 0.4766099318202757
Energy: 0.4767159899968063
Energy: 0.4768195409027029
Energy: 0.4768954748307256
Energy: 0.4768102280947113
Energy: 0.48424011621243557
Energy: 0.4954514702262777
Energy: 0.47703633202373347
Energy: 0.5411554609485074
Energy: 0.46709058073816406
Energy: 0.47666850414575124
Energy: 0.4770069710344703
Energy: 0.47442017567803524
Energy: 0.47658306958863894
Energy: 0.47680168796810296
Energy: 0.4746357471404734
Energy: 0.47650663822069445
Energy: 0.4764407676438732
Energy: 0.6005327576906176
Energy: 0.47773536894643936
Energy: 0.4775256161663308
Energy: 0.6006693631892599
Energy: 0.4781493014946206
Energy: 0.5138066591472039
Energy: 0.4660877220754848
Energy: 0.46802831782779036
Energy: 0.4890061399823193
Energy: 0.47487937368405914
Energy: 0.4752384495137093
Energy: 0.47357884656037247
Energy: 0.4827951600252953
Energy: 0.4772687408351813
Energy: 0.47691043289750257
Energy: 0.46479534140566214
Energy: 0.4770047745038094
Energy: 0.4767464501138145
Energy: 0.48202629444441863
Energy: 0.47648710899494257
Energy: 0.48472864905039126
Energy: 0.46591922393183655
Energy: 0.5090977770832505
Energy: 0.4845752016671791
Energy: 0.465839206272237
Energy: 0.4765391142541465
Energy: 0.5071578976177378
Energy: 0.4747493533826243
Energy: 0.4764668598537529
Energy: 0.473411583652779
Energy: 0.4667408898410994
Energy: 0.4709019306944656
Energy: 0.4715817012026834
Energy: 0.4665199365660455
Energy: 0.47649389396534814
Energy: 0.47013039042935423
Energy: 0.4656439897476666
Energy: 0.47297967027388166
Energy: 0.4723987745306829
Energy: 0.46631406452747953
Energy: 0.47626463548655207
Energy: 0.46547225240714835
Energy: 0.4704737242392585
Energy: 0.4689867931410978
Energy: 0.4689734825685187
Energy: 0.4698519974171896
Energy: 0.47125967154919157
Energy: 0.46912513589493626
Energy: 0.4693072989619054
Energy: 0.48138019581271807
Energy: 0.4761416258642268
Energy: 0.48101179978514647
Energy: 0.46744541783428767
Energy: 0.47645196380629046
Energy: 0.4739462950931206
Energy: 0.46797713434336474
Energy: 0.4680718981046864
Energy: 0.4749465072367929
Energy: 0.4687752417095262
Energy: 0.47617925672997263
Energy: 0.4737572625028211
Energy: 0.4682965014183498
Energy: 0.4683162521865851
Energy: 0.5245857245720731
Energy: 0.46864891287983945
Energy: 0.4762818232627119
Energy: 0.46868225676195696
Energy: 0.4901699322954389
Energy: 0.4955615805773146
Energy: 0.480221289449915
Energy: 0.4822000751564886
Energy: 0.47643515571033895
Energy: 0.539961822038363
Energy: 0.4854973735066534
Energy: 0.4869585961924108
Energy: 0.539933053480374
Energy: 0.4666101152792601
Energy: 0.48730815460271204
Energy: 0.49618873749558395
Energy: 0.46577528270055263
Energy: 0.4761911227045862
Energy: 0.4805257282232342
Energy: 0.48340175020167675
Energy: 0.4734806439090181
Energy: 0.5078113444337998
Energy: 0.4690053656432974
Energy: 0.46887762979816955
Energy: 0.4629147093312565
Energy: 0.4729095989427669
Energy: 0.468924276378232
Energy: 0.49618745398234543
Energy: 0.46712158643247764
Energy: 0.46702538370333085
Energy: 0.4936339527044104
Energy: 0.46659079218292865
Energy: 0.4677795122988242
Energy: 0.5047172775480588
Energy: 0.46581153073365217
Energy: 0.47185445285548544
Energy: 0.47648125202316904
Energy: 0.4660049964441703
Energy: 0.4825117905294898
Energy: 0.5049807888457901
Energy: 0.47167870794747396
Energy: 0.47207429215135205
Energy: 0.4767212590002577
Energy: 0.4753876744716991
Energy: 0.4822010898954416
Energy: 0.5132529397786186
Energy: 0.48064532963153306
Energy: 0.48564228878821647
Energy: 0.4765235501625045
Energy: 0.48164648507840874
Energy: 0.4764243069612473
Energy: 0.4979113455145862
Energy: 0.476619088927892
Energy: 0.4765671314749751
Energy: 0.4977253881672058
Energy: 0.46526016979547635
Energy: 0.4781338070067613
Energy: 0.47672510594596007
Energy: 0.47597641770391275
Energy: 0.4698582655270034
Energy: 0.5170863110379551
Energy: 0.4748391495756839
Energy: 0.48439670085831227
Energy: 0.4655668598850544
Energy: 0.5177873608938706
Energy: 0.5362098516497418
Energy: 0.48707007809340896
Energy: 0.5619062829001963
Energy: 0.5352028553141862

minimum gb energy = 0.4629147093312565 eV
minimum distance =  2.66474341109951 Angstroms
sigma value = 57


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

Energy: 0.7242583419181706
Energy: 0.5475380170236707
Energy: 0.49494492614269064
Energy: 0.45869625949113774
Energy: 0.7052901930496797
Energy: 0.5452519517053204
Energy: 0.48956915646192145
Energy: 0.49544904962106295
Energy: 0.49547003434455755
Energy: 0.47045249484011464
Energy: 0.49555745411128993
Energy: 0.48828951418854566
Energy: 0.5747165858396536
Energy: 0.4819247762840602
Energy: 0.4819640390584431
Energy: 0.464817950207453
Energy: 0.4817405089064007
Energy: 0.48151441528130307
Energy: 0.54592823689964
Energy: 0.48203253241710853
Energy: 0.4689922881020148
Energy: 0.550929773802984
Energy: 0.48138049927019905
Energy: 0.4627023312357715
Energy: 0.5428979411727156
Energy: 0.5459676821706958
Energy: 0.5506106784506716
Energy: 0.5472439817231991
Energy: 0.4901425210346715
Energy: 0.5362856900922244
Energy: 0.4865974344598029
Energy: 0.5397874749839036
Energy: 0.5409840031408494
Energy: 0.5294711234944797
Energy: 0.5348376992499346
Energy: 0.5415625368413205
Energy: 0.5535848998701858
Energy: 0.5413987062986946
Energy: 0.5412491725222319
Energy: 0.5548370769061564
Energy: 0.5411777451049486
Energy: 0.5416871501858623
Energy: 0.505230704432052
Energy: 0.566659754044766
Energy: 0.5718492815817571
Energy: 0.4939735184216124
Energy: 0.5609319035471004
Energy: 0.5504356532175357
Energy: 0.5503477511718173
Energy: 0.5636832810166932
Energy: 0.5604970549736583
Energy: 0.551204293912796
Energy: 0.5470050842480356
Energy: 0.5601203817935483
Energy: 0.5973623145513698
Energy: 0.5050200248507233
Energy: 0.5047986291887172
Energy: 0.5971667272571141
Energy: 0.5049922871761098
Energy: 0.5053463075926096
Energy: 0.6142555432576428
Energy: 0.49896118681511137
Energy: 0.5357755211560494
Energy: 0.557805423218416
Energy: 0.48797022249784466
Energy: 0.5521679681126617
Energy: 0.4322887552627064
Energy: 0.5418372773721494
Energy: 0.5421667517930933
Energy: 0.4337096048603345
Energy: 0.541930352758652
Energy: 0.5002155476732507
Energy: 0.43519522667417193
Energy: 0.5423573189773808
Energy: 0.4997425919456345
Energy: 0.45632057496874556
Energy: 0.5421740585642262
Energy: 0.5001487610413685
Energy: 0.5257481114958689
Energy: 0.5703242982988818
Energy: 0.5370413033923009
Energy: 0.5584096426682104
Energy: 0.568193113420213
Energy: 0.5380347969749274
Energy: 0.5572411287173532
Energy: 0.47143784541338113
Energy: 0.47305120996515687
Energy: 0.5569102800281569
Energy: 0.47192988771562755
Energy: 0.4800585245057442
Energy: 0.5458668549603807
Energy: 0.5378132410242935
Energy: 0.5430246812368075
Energy: 0.5473286255603202
Energy: 0.5395807709952003
Energy: 0.5450711160935766
Energy: 0.5538265502344608
Energy: 0.5285355539183644
Energy: 0.5287346220451024
Energy: 0.538448527815392
Energy: 0.528412349381214
Energy: 0.5289782067166517
Energy: 0.5534744778249897
Energy: 0.5393167276970782
Energy: 0.5354718729495543
Energy: 0.5384269865099638
Energy: 0.5431905705335487
Energy: 0.5230916903037486
Energy: 0.552142033744255
Energy: 0.5419627150075499
Energy: 0.5425381330097037
Energy: 0.5330171580329026
Energy: 0.5409393500290526
Energy: 0.5570742097940996
Energy: 0.5469414246331886
Energy: 0.5577495108271127
Energy: 0.5621828531297299
Energy: 0.5383222470271891
Energy: 0.5580212242260799
Energy: 0.5617071518950079
Energy: 0.5513721683020798
Energy: 0.49558743822111556
Energy: 0.5495070000858386
Energy: 0.5561474076571913
Energy: 0.5526702654923611
Energy: 0.4694667419956873
Energy: 0.5981764167992609
Energy: 0.507437951449189
Energy: 0.5074314879897679
Energy: 0.5541884466797965
Energy: 0.5067481979534719
Energy: 0.5085425925002797
Energy: 0.5498779548529741
Energy: 0.4960862865321106
Energy: 0.49635026291925227
Energy: 0.466677497388037
Energy: 0.4958275613568028
Energy: 0.4812182539605409
Energy: 0.4718592129213821
Energy: 0.49657846129998334
Energy: 0.49972276180718006
Energy: 0.456360081204645
Energy: 0.4953834588656525
Energy: 0.5502165003583533

minimum gb energy = 0.4322887552627064 eV
minimum distance =  2.64965038273335 Angstroms
sigma value = 17


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

Energy: 0.800767712665355
Energy: 0.5458918367118124
Energy: 0.5461851106128021
Energy: 0.4502367331859523
Energy: 0.47645165883811746
Energy: 0.5008238609556188
Energy: 0.44988880016416866
Energy: 0.5225323175027737
Energy: 0.5221159736345743
Energy: 0.5299164099510767
Energy: 0.5138827536920625
Energy: 0.4746501480589901
Energy: 0.47857405194542574
Energy: 0.4686268954526825
Energy: 0.459777866534843
Energy: 0.5048406494085041
Energy: 0.4598377424805156
Energy: 0.4504142334648434
Energy: 0.505861120960597
Energy: 0.4594950004177832
Energy: 0.44970781535336674
Energy: 0.5060034885721021
Energy: 0.41413066354551165
Energy: 0.4821814987542635
Energy: 0.43941282141448623
Energy: 0.45070694110769066
Energy: 0.45946426598677426
Energy: 0.4396751230878875
Energy: 0.4506985108897146
Energy: 0.45949915170368805
Energy: 0.45085192371026056
Energy: 0.43383079660330215
Energy: 0.46225385522289253
Energy: 0.448083762572005
Energy: 0.4407935140771494
Energy: 0.4488354741794039
Energy: 0.4335890803696729
Energy: 0.4325942038437967
Energy: 0.4329365385407186
Energy: 0.43363260930536396
Energy: 0.4361235766055597
Energy: 0.43648619204684314
Energy: 0.43478155078176184
Energy: 0.44550087286025447
Energy: 0.4460103921433149
Energy: 0.4455434139390572
Energy: 0.4458703230852115
Energy: 0.46017318976220534
Energy: 0.43464466735205415
Energy: 0.4439590129033472
Energy: 0.4436039424233744
Energy: 0.4358820683118719
Energy: 0.4535212871390978
Energy: 0.4327655621994585
Energy: 0.4339087136536886
Energy: 0.46209156196858003
Energy: 0.4625221533185285
Energy: 0.43401562718726894
Energy: 0.45670386365576016
Energy: 0.4538696618604957
Energy: 0.5299688135761247
Energy: 0.4592384024810552
Energy: 0.4591034149065741
Energy: 0.4507282143501657
Energy: 0.43994926750061786
Energy: 0.45097230442815434
Energy: 0.43913352857869126
Energy: 0.5123526939775684
Energy: 0.5123832268491841
Energy: 0.43928880725225
Energy: 0.5163926818502234
Energy: 0.5126870728090277
Energy: 0.43900393197722004
Energy: 0.5052147923053169
Energy: 0.5158102563564894
Energy: 0.45956968677651333
Energy: 0.5047150583956879
Energy: 0.516689144535433
Energy: 0.5213124326856574
Energy: 0.5126317111772475
Energy: 0.5130012368442984
Energy: 0.5313086641742838
Energy: 0.5138720861029445
Energy: 0.46988018961778344
Energy: 0.5238819384107255
Energy: 0.5040870537918939
Energy: 0.5040168224132546
Energy: 0.47584526190280646
Energy: 0.5112581437331207
Energy: 0.5034955503636962
Energy: 0.5866367875600687
Energy: 0.5280379249800702
Energy: 0.4849489202774653
Energy: 0.513118728771523
Energy: 0.5187433382951205
Energy: 0.5135568559779906
Energy: 0.4145377219194566
Energy: 0.5174050435332074
Energy: 0.49613164573967716
Energy: 0.41445902488029324
Energy: 0.5169006290586854
Energy: 0.4962933947575673

minimum gb energy = 0.41413066354551165 eV
minimum distance =  2.70869857441485 Angstroms
sigma value = 17


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

Energy: 0.8592709903648322
Energy: 0.5930425810425509
Energy: 0.4929048048691988
Energy: 0.46264906706193953
Energy: 0.525901985360277
Energy: 0.49200103299870845
Energy: 0.4611019608163322
Energy: 0.5204230856235055
Energy: 0.4434709608780706
Energy: 0.5232376455591825
Energy: 0.5192061258088283
Energy: 0.47654672053065916
Energy: 0.6327865220935922
Energy: 0.4275080478019631
Energy: 0.4571058431596212
Energy: 0.5244546392064293
Energy: 0.4275271727111901
Energy: 0.4594717286389998
Energy: 0.5215403616580983
Energy: 0.45919820505211933
Energy: 0.46188108183146515
Energy: 0.522230546696474
Energy: 0.41112475848791896
Energy: 0.46132237525440045
Energy: 0.44231108839394956
Energy: 0.44663360056948315
Energy: 0.4430140780766626
Energy: 0.442929836112467
Energy: 0.4464664882269103
Energy: 0.44167182844369973
Energy: 0.3920209719237785
Energy: 0.4358662513343839
Energy: 0.4242628178143983
Energy: 0.4247949139825696
Energy: 0.43520171790351075
Energy: 0.4251140763044804
Energy: 0.39977228255224645
Energy: 0.44083355598936547
Energy: 0.43483533880093295
Energy: 0.4112591330137071
Energy: 0.4374866404687866
Energy: 0.42445951710027735
Energy: 0.4007627452085913
Energy: 0.41093751775641457
Energy: 0.4167860371804019
Energy: 0.4257802361056558
Energy: 0.41066005359783
Energy: 0.4166647378293778
Energy: 0.4008929670163562
Energy: 0.41306263785198205
Energy: 0.40084459355457164
Energy: 0.40182216536537285
Energy: 0.40823059754286917
Energy: 0.39964761648435493
Energy: 0.39992146413962515
Energy: 0.41344210886780586
Energy: 0.4135039190122055
Energy: 0.400004287099296
Energy: 0.4129864621793875
Energy: 0.413861811417342
Energy: 0.4102204132356786
Energy: 0.40061508599441
Energy: 0.41289047757315417
Energy: 0.412374579293142
Energy: 0.4001031909102628
Energy: 0.413006751307611
Energy: 0.4023902670368212
Energy: 0.40694659626762436
Energy: 0.3996617653501013
Energy: 0.40313262040264486
Energy: 0.40428357634115875
Energy: 0.41450915847756636
Energy: 0.40886811745797014
Energy: 0.4171623679552321
Energy: 0.4174240003036929
Energy: 0.4170481916109695
Energy: 0.41526608117878044
Energy: 0.41735432470606104
Energy: 0.43479567439958217
Energy: 0.41872592841750667
Energy: 0.41900490295246856
Energy: 0.43570513750987455
Energy: 0.41971705538462967
Energy: 0.434779510021783
Energy: 0.43510964317175443
Energy: 0.4265555294748363
Energy: 0.4257720764646675
Energy: 0.4354347773109174
Energy: 0.4259706947127603
Energy: 0.4484345160207904
Energy: 0.5174389513955463
Energy: 0.45487904456873207
Energy: 0.4475294893994015
Energy: 0.4462666535120893
Energy: 0.4427768809534962
Energy: 0.44721856567990464
Energy: 0.4004873113351058
Energy: 0.5183520387237326
Energy: 0.5184424273554002
Energy: 0.4010266445838203
Energy: 0.5248596874623351
Energy: 0.4347374713340735
Energy: 0.4005173629214245
Energy: 0.518552850562317
Energy: 0.5166459014136039
Energy: 0.40184288886053204
Energy: 0.5242902038956055
Energy: 0.44711310991734293
Energy: 0.5863346168381253
Energy: 0.5182695412552518
Energy: 0.4795521857103711
Energy: 0.4441055688586263
Energy: 0.45405332855762964
Energy: 0.447674401574501
Energy: 0.6417660932477018
Energy: 0.45206214911080106
Energy: 0.4525954986044593
Energy: 0.5252796586151618
Energy: 0.4515992051223989
Energy: 0.5214215891136356
Energy: 0.6213241502191625
Energy: 0.5027711359371029
Energy: 0.4710689901991981
Energy: 0.519815363554309
Energy: 0.5216119403146536
Energy: 0.5187260884346513
Energy: 0.4082107430929975
Energy: 0.518969557152156
Energy: 0.5747289129685349
Energy: 0.46230144574192844
Energy: 0.5206470634574178
Energy: 0.4651716307188182
Energy: 0.40986962084554535
Energy: 0.5195078210585439
Energy: 0.5165857449260983
Energy: 0.4109885642118671
Energy: 0.5220303741006077
Energy: 0.5037622483645748
Energy: 0.6217844360133755
Energy: 0.455076365761229
Energy: 0.4507132199907407
Energy: 0.5200907863817613
Energy: 0.41368421473600275
Energy: 0.518401762595006
Energy: 0.5186251005966188
Energy: 0.4304282033426931
Energy: 0.46262249536651984
Energy: 0.5188207869008133
Energy: 0.4303114014778137
Energy: 0.4651192982662215
Energy: 0.44394918708428077
Energy: 0.4460689803560829
Energy: 0.4471554698235765
Energy: 0.44435166098516443
Energy: 0.44699804792736353
Energy: 0.4474295717660454
Energy: 0.39245509502381354
Energy: 0.4490907299368086
Energy: 0.4498288426236822
Energy: 0.4256559531714427
Energy: 0.45045349637499577
Energy: 0.42702308324615146
Energy: 0.397193897818727
Energy: 0.4403663853497267
Energy: 0.4344190263994231
Energy: 0.3969326563260678
Energy: 0.437086976824905
Energy: 0.4344428139215646
Energy: 0.44888913443290723
Energy: 0.4194747010568629
Energy: 0.4199399688925024
Energy: 0.413269902695175
Energy: 0.4077509225964876
Energy: 0.4199767102656324
Energy: 0.39947461509020615
Energy: 0.41028807096499226
Energy: 0.4175460825285383
Energy: 0.3996370272732803
Energy: 0.41039609880964123
Energy: 0.416238426418557
Energy: 0.4041039049360112
Energy: 0.4126490095418198
Energy: 0.411732377537056
Energy: 0.4050101730172137
Energy: 0.411820539621736
Energy: 0.4078636344772966
Energy: 0.40129438507272874
Energy: 0.41287966412922633
Energy: 0.41277471039978436
Energy: 0.41136844768172665
Energy: 0.4153719303347517
Energy: 0.41278665017824673
Energy: 0.4064649766686303
Energy: 0.4048084186811362
Energy: 0.39946196441040066
Energy: 0.4069066071187337
Energy: 0.4011144557642642
Energy: 0.39944361266718376
Energy: 0.40788384795564425
Energy: 0.4225526582978003
Energy: 0.4180052872988215
Energy: 0.4172340143521625
Energy: 0.41522446153489706
Energy: 0.4187871113223626
Energy: 0.44045981117682464
Energy: 0.41729951867933995
Energy: 0.4173365414096065
Energy: 0.44127558244398124
Energy: 0.4172685225120022
Energy: 0.4181836643931472
Energy: 0.4420552333776626
Energy: 0.4181515021881923
Energy: 0.44679096344929753
Energy: 0.44262535443728407
Energy: 0.4180918803803078
Energy: 0.43593043980978075
Energy: 0.5777506247071894
Energy: 0.43858926463237147
Energy: 0.44122271607145874
Energy: 0.43825952984320676
Energy: 0.4042067650518583
Energy: 0.44209904929852095
Energy: 0.4050854056197656
Energy: 0.5234219051265804
Energy: 0.44748823173480223
Energy: 0.43957142298125984
Energy: 0.5202039863232499
Energy: 0.4475087651887946
Energy: 0.39998827786649727
Energy: 0.5226213430711003
Energy: 0.45153382435723005
Energy: 0.4486744622165719
Energy: 0.5216931942959095
Energy: 0.45052715066363963
Energy: 0.435868646908518
Energy: 0.5232264290112483
Energy: 0.5022979340500038
Energy: 0.443091967839344
Energy: 0.5200223609749411
Energy: 0.47636467008466665
Energy: 0.5897885104406407
Energy: 0.45006589496266713
Energy: 0.5071498994246171
Energy: 0.5201575996191532
Energy: 0.45145587827269934
Energy: 0.518084997926055
Energy: 0.6221934955743853
Energy: 0.48109452785374
Energy: 0.443182413440356
Energy: 0.5208177492398698
Energy: 0.44185008680312726
Energy: 0.5167142102688049
Energy: 0.4108865027103872
Energy: 0.5202018989483951
Energy: 0.5166420601851998
Energy: 0.41170017550138244
Energy: 0.5212853018579324
Energy: 0.5030863312248841

minimum gb energy = 0.3920209719237785 eV
minimum distance =  2.68133499560621 Angstroms
sigma value = 57


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

Energy: 0.3801191888232248
Energy: 0.5484986376331492
Energy: 0.4702236380458483
Energy: 0.4170332770869764
Energy: 0.6879630076873107
Energy: 0.47080826053781033
Energy: 0.5264230280937308
Energy: 0.44100950154741053
Energy: 0.43220594676313845
Energy: 0.48606881661698415
Energy: 0.4419908364036502
Energy: 0.4266409356518838
Energy: 0.606427597914536
Energy: 0.4097139518745807
Energy: 0.409850878913857
Energy: 0.49308338297017473
Energy: 0.4099623131375236
Energy: 0.45172950488656716
Energy: 0.5005265004104082
Energy: 0.4101664032563179
Energy: 0.45128531365282626
Energy: 0.4358967288555167
Energy: 0.3830030809792077
Energy: 0.4603065940128331
Energy: 0.4270710239638904
Energy: 0.4377892935277655
Energy: 0.4314933773525519
Energy: 0.4276484350263815
Energy: 0.4350035472288208
Energy: 0.4349331246945587
Energy: 0.37080889947679047
Energy: 0.43345268611782684
Energy: 0.4085371643928461
Energy: 0.3925735931292122
Energy: 0.4330525474049083
Energy: 0.4102092761465633
Energy: 0.39179629731769333
Energy: 0.4384501604942361
Energy: 0.441692825664435
Energy: 0.4008929344206356
Energy: 0.4357709397845252
Energy: 0.3999050331311991
Energy: 0.5244640631751523
Energy: 0.3875817831754407
Energy: 0.3965420582504764
Energy: 0.4058725896121115
Energy: 0.38739022274001356
Energy: 0.40780147707107556
Energy: 0.3945035667066894
Energy: 0.4020420404319592
Energy: 0.3918999555227777
Energy: 0.39591054455078734
Energy: 0.3972364627061201
Energy: 0.3915987675266358
Energy: 0.40262963904421856
Energy: 0.38545374636086116
Energy: 0.3854385673166362
Energy: 0.3921330150921177
Energy: 0.3892962344626479
Energy: 0.3857023597646815
Energy: 0.3785646444743102
Energy: 0.3744175862891253
Energy: 0.3935866377789575
Energy: 0.389869929038055
Energy: 0.38441256646105143
Energy: 0.38446391831631593
Energy: 0.39538933201420007
Energy: 0.38086075377652373
Energy: 0.3829486608707493
Energy: 0.38368068139632644
Energy: 0.3778091520530536
Energy: 0.38446376693029244
Energy: 0.37445507288059837
Energy: 0.38806071068260095
Energy: 0.3874076160113434
Energy: 0.3859514541900296
Energy: 0.3903764228487971
Energy: 0.3874714525287801
Energy: 0.3754015749770247
Energy: 0.3854857030384118
Energy: 0.3746339046355266
Energy: 0.3765179647482956
Energy: 0.38221332645746575
Energy: 0.3840319755325844
Energy: 0.37415135671486627
Energy: 0.3855627540559771
Energy: 0.38459173766746296
Energy: 0.37438636079959675
Energy: 0.38674198000562915
Energy: 0.38417655985350097
Energy: 0.402168035137027
Energy: 0.40102935230947384
Energy: 0.38836442842275615
Energy: 0.3884133403577091
Energy: 0.3999418798174546
Energy: 0.387977324199594
Energy: 0.37540287519070886
Energy: 0.400396124323362
Energy: 0.39199694115731215
Energy: 0.40051585345932095
Energy: 0.39796880528671774
Energy: 0.40372646910201726
Energy: 0.37696786379645514
Energy: 0.4043127190407151
Energy: 0.4048531055808469
Energy: 0.377460959056137
Energy: 0.40263971738573884
Energy: 0.40497637911150575
Energy: 0.43364303929865333
Energy: 0.4005364378030143
Energy: 0.4156859366546984
Energy: 0.43502016346484085
Energy: 0.3988369922137692
Energy: 0.4430498125773398
Energy: 0.5002325573369584
Energy: 0.4019789267416524
Energy: 0.40876041446863487
Energy: 0.4424462460440666
Energy: 0.4027797972370471
Energy: 0.43146286399786227
Energy: 0.5575964328697423
Energy: 0.43882148180384656
Energy: 0.4394508219377978
Energy: 0.43854480124316747
Energy: 0.4382802265271686
Energy: 0.43837817036715543
Energy: 0.37514858830052356
Energy: 0.5203151656424545
Energy: 0.432973619634362
Energy: 0.40076487179883097
Energy: 0.5192353474894456
Energy: 0.424067110945571
Energy: 0.39534767111897356
Energy: 0.5157553152089385
Energy: 0.47477468990944544
Energy: 0.3961585640040611
Energy: 0.5138267133917735
Energy: 0.4733271625774794
Energy: 0.5548125404604405
Energy: 0.44341592174040767
Energy: 0.4303238411417042
Energy: 0.43648496219411237
Energy: 0.4374375063059859
Energy: 0.43365924686536284
Energy: 0.6097775932785003
Energy: 0.4320388587300176
Energy: 0.43548350413525005
Energy: 0.5217458678224414
Energy: 0.4291796038171949
Energy: 0.4974401171614941
Energy: 0.550655445503067
Energy: 0.4937924395691973
Energy: 0.4849423806946387
Energy: 0.5114869571973416
Energy: 0.48767162979935597
Energy: 0.4518652787740706
Energy: 0.37879177265062547
Energy: 0.4898110024232663
Energy: 0.45170216596574647
Energy: 0.4130171875668089
Energy: 0.5036621479186488
Energy: 0.446380906084902

minimum gb energy = 0.37080889947679047 eV
minimum distance =  2.70867588854529 Angstroms
sigma value = 43


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

Energy: 0.3345526731277069
Energy: 0.4352477872276095
Energy: 0.42357695259010464
Energy: 0.36073707090210366
Energy: 0.48479494492628605
Energy: 0.4009292499474158
Energy: 0.5034870436824653
Energy: 0.3736965605264725
Energy: 0.36795077354369743
Energy: 0.3991688825076253
Energy: 0.3908757162160357
Energy: 0.3674202629677685
Energy: 0.5185990012919388
Energy: 0.34938426742791645
Energy: 0.3652971115838838
Energy: 0.43146250290968724
Energy: 0.34936538542556633
Energy: 0.3716502740455065
Energy: 0.45092199464541693
Energy: 0.3657652946182388
Energy: 0.3715670663117894
Energy: 0.39791196229788667
Energy: 0.367520125031078
Energy: 0.4162008174881801
Energy: 0.394630550816508
Energy: 0.37463660825766476
Energy: 0.37417194989973274
Energy: 0.39522878696692465
Energy: 0.39831510778744883
Energy: 0.3673366538182079
Energy: 0.32206723418445293
Energy: 0.3964612367821336
Energy: 0.35995296278549826
Energy: 0.33728136100933725
Energy: 0.39619415292227045
Energy: 0.3512968755117795
Energy: 0.4501131594050713
Energy: 0.39641193202298386
Energy: 0.39594150837234954
Energy: 0.34933781023660104
Energy: 0.39987514029278903
Energy: 0.34900373046309324
Energy: 0.46606807082654306
Energy: 0.3335201525487588
Energy: 0.34097454997246407
Energy: 0.3476728027179374
Energy: 0.3323073453290855
Energy: 0.34089269796609967
Energy: 0.3614289817988828
Energy: 0.3398468208330094
Energy: 0.3597744470025674
Energy: 0.3624115772961585
Energy: 0.3298674672875452
Energy: 0.35956950342257
Energy: 0.35008870599199227
Energy: 0.3356604482632561
Energy: 0.33535381900027367
Energy: 0.35037397867844594
Energy: 0.3357637181792283
Energy: 0.33530459904984755
Energy: 0.3187574571810456
Energy: 0.33834239417003514
Energy: 0.33341173108172983
Energy: 0.3292446503031689
Energy: 0.338610420894946
Energy: 0.3299820165634364
Energy: 0.3634159785958433
Energy: 0.3384343839302287
Energy: 0.33838333181698277
Energy: 0.3311317882583294
Energy: 0.343294335102782
Energy: 0.3307750613934271
Energy: 0.44042233944505504
Energy: 0.34385651805562156
Energy: 0.3266210470998769
Energy: 0.3631067970503599
Energy: 0.3269323771059196
Energy: 0.3311198513074739
Energy: 0.3260194721465259
Energy: 0.3306755060928225
Energy: 0.32611715149814896
Energy: 0.3270809918228246
Energy: 0.32062743519757125
Energy: 0.32600738756035286
Energy: 0.3264667982891766
Energy: 0.3253227815643871
Energy: 0.32507769208078935
Energy: 0.3259958797909385
Energy: 0.3256197872953962
Energy: 0.3248614416001511
Energy: 0.3220507105304229
Energy: 0.3202629057872975
Energy: 0.32079074640238225
Energy: 0.32582822997336186
Energy: 0.32024639748330047
Energy: 0.32327974254191594
Energy: 0.3278543716057098
Energy: 0.32015691717429906
Energy: 0.3204743386536478
Energy: 0.3425160007064359
Energy: 0.3200470879597855
Energy: 0.32644685783901733
Energy: 0.3201396886927238
Energy: 0.32557165244115777
Energy: 0.32697036578176675
Energy: 0.32023252411360714
Energy: 0.32614560261550146
Energy: 0.32703479606201
Energy: 0.320145532053247
Energy: 0.3278447965301748
Energy: 0.3204124807778963
Energy: 0.32102840422126505
Energy: 0.3767068519026443
Energy: 0.32014909280455206
Energy: 0.3202388422697565
Energy: 0.3298130801596246
Energy: 0.3308563817453667
Energy: 0.3204104511351355
Energy: 0.3300310912982741
Energy: 0.33080686649979735
Energy: 0.3403151781023197
Energy: 0.3259898300923388
Energy: 0.32607201626337684
Energy: 0.3449801995449211
Energy: 0.3258231292755823
Energy: 0.3310647492129447
Energy: 0.323054812114416
Energy: 0.32614555352701535
Energy: 0.32618083101189493
Energy: 0.32660077260655185
Energy: 0.3260992575390488
Energy: 0.32616641680081243
Energy: 0.3391592191182577
Energy: 0.328409401577396
Energy: 0.3279923866289064
Energy: 0.33853094329161193
Energy: 0.32813077051128725
Energy: 0.32780969196910065
Energy: 0.33852061991942656
Energy: 0.3417864803798234
Energy: 0.3380702769551925
Energy: 0.3395476023854591
Energy: 0.3260193496472432
Energy: 0.33855091656561026
Energy: 0.4506343849274047
Energy: 0.3477313018390813
Energy: 0.33950861338751964
Energy: 0.35469886866584743
Energy: 0.3303917651711938
Energy: 0.33958173543180575
Energy: 0.3980200755730983
Energy: 0.35997683317748846
Energy: 0.3597323105780462
Energy: 0.3343495634041711
Energy: 0.36448216459589183
Energy: 0.33426333909639583
Energy: 0.3206191908603338
Energy: 0.35983410216752654
Energy: 0.3597743399084611
Energy: 0.334398846978669
Energy: 0.35994497752171417
Energy: 0.3372878950194596
Energy: 0.33909610696784925
Energy: 0.35083135940872806
Energy: 0.3504187832055314
Energy: 0.3391319818157578
Energy: 0.35859556496749573
Energy: 0.3488407895280946
Energy: 0.3982956408509898
Energy: 0.3516150202526332
Energy: 0.3961370229815768
Energy: 0.399368854167541
Energy: 0.33836899228729816
Energy: 0.3959578622078422
Energy: 0.4903086485552758
Energy: 0.34141802740402877
Energy: 0.3530162818934495
Energy: 0.3924364272257915
Energy: 0.3411737028810525
Energy: 0.3531543048315289
Energy: 0.4896568291837128
Energy: 0.390642163669266
Energy: 0.3906258594518
Energy: 0.3904980287393541
Energy: 0.39065351082614236
Energy: 0.3905943492401475
Energy: 0.3274901658278838
Energy: 0.4298472756917479
Energy: 0.3769109842092504
Energy: 0.3462642667321132
Energy: 0.4570512082476554
Energy: 0.36504176679168704
Energy: 0.4089129071575368
Energy: 0.4095471687124303
Energy: 0.3995847697220672
Energy: 0.39319842796401994
Energy: 0.42788836794872626
Energy: 0.39969115084744045
Energy: 0.49096136898926446
Energy: 0.3920383357148243
Energy: 0.3835881098935158
Energy: 0.3980546927760707
Energy: 0.3911977077747922
Energy: 0.42899958836492996
Energy: 0.5185629131134639
Energy: 0.36312346099446624
Energy: 0.39664357367119807
Energy: 0.4281912192077468
Energy: 0.36560382171146927
Energy: 0.39682042534701756
Energy: 0.47831046794246107
Energy: 0.40946313277485963
Energy: 0.39962313412887196
Energy: 0.391734995100015
Energy: 0.42738380009717825
Energy: 0.3677326979140015

minimum gb energy = 0.3187574571810456 eV
minimum distance =  2.69833257674728 Angstroms
sigma value = 81


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

Energy: 0.027048925930877477
Energy: 0.05128935081875755
Energy: 0.027209656082746822
Energy: 0.028640935621467876
Energy: 0.02772963175110122
Energy: 0.02748593308122129
Energy: 0.051196969485393644
Energy: 0.027857428499346474
Energy: 0.027856573106312076
Energy: 0.05152525991563402
Energy: 0.03055716454447425
Energy: 0.028022204544631987
Energy: 0.0502316300162731
Energy: 0.027495781412583714
Energy: 0.027377113996567125
Energy: 0.05038927948756187
Energy: 0.027366127401331684
Energy: 0.05062158163048961
Energy: 0.03015797388702604
Energy: 0.027519066702253986
Energy: 0.027843617579142683
Energy: 0.027608305114936157
Energy: 0.027432337032956177
Energy: 0.05087630934215685
Energy: 0.05054809774779916
Energy: 0.050333002296652114
Energy: 0.05034053445066076
Energy: 0.051227872750233085
Energy: 0.050243548385021077
Energy: 0.05050912321376459
Energy: 0.02781427361451372
Energy: 0.027918655884844622
Energy: 0.027432268598252953
Energy: 0.028801904989651437
Energy: 0.028043503423744
Energy: 0.027429729862338097
Energy: 0.05168896673391794
Energy: 0.027948941793732276
Energy: 0.028067143715121264
Energy: 0.05042338862149469
Energy: 0.028077004390695118
Energy: 0.02799457887102607
Energy: 8.830811649855653
Energy: 0.027398167418442244
Energy: 0.027515986016108614
Energy: 0.050376900201961144
Energy: 0.02741784385934955
Energy: 0.05124919194434141
Energy: 5.200909553395098
Energy: 0.027637101874741027
Energy: 0.052480519743962444
Energy: 0.02927310616159348
Energy: 0.02748699945057184
Energy: 0.05179538212526014
Energy: 0.027971672974306375
Energy: 0.050507040200847446
Energy: 0.05058021284066368
Energy: 0.028006793035112526
Energy: 0.050499155085105114
Energy: 0.050681034966400564

minimum gb energy = 0.027048925930877477 eV
minimum distance =  2.85521277558388 Angstroms
sigma value = 3


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

Energy: 0.4131193695571362
Energy: 0.4436331719714348
Energy: 0.4175085078244807
Energy: 0.37501927862534384
Energy: 0.4229163689306414
Energy: 0.37628480321067215
Energy: 0.41343017562166307
Energy: 0.4189030440671601
Energy: 0.39964279454119556
Energy: 0.3986723797904511
Energy: 0.418210002117736
Energy: 0.36752844305162
Energy: 0.44569172364000703
Energy: 0.3590179158993262
Energy: 0.35858034945907197
Energy: 0.41821325460673553
Energy: 0.3584008778686918
Energy: 0.3832450761572626
Energy: 0.401103711847059
Energy: 0.3777590964644313
Energy: 0.3599525348757292
Energy: 0.4013168996122754
Energy: 0.35624087023774814
Energy: 0.38319934195436156
Energy: 0.36223230115563243
Energy: 0.41837545412844585
Energy: 0.3867829781578152
Energy: 0.36211799578924325
Energy: 0.4178597627977102
Energy: 0.38649292802430935
Energy: 0.33306403408915086
Energy: 0.38567008857299834
Energy: 0.3939827843228357
Energy: 0.3345299596888417
Energy: 0.38594331838130114
Energy: 0.3593819016422353
Energy: 0.40160951378996873
Energy: 0.36698971399985975
Energy: 0.3668058967305423
Energy: 0.40083347136776915
Energy: 0.3697933572533864
Energy: 0.40126739009836415
Energy: 0.398934541069398
Energy: 0.3360607502260984
Energy: 0.36216271741225603
Energy: 0.39922009345920906
Energy: 0.31649601835025043
Energy: 0.36277591163017076
Energy: 0.33914841206170376
Energy: 0.40141375534784174
Energy: 0.3853750534309984
Energy: 0.3854966460300668
Energy: 0.3356993314078979
Energy: 0.385305729583921
Energy: 0.33865944108707824
Energy: 0.3684730868467875
Energy: 0.36746954162630396
Energy: 0.3387052990387387
Energy: 0.3698125673273014
Energy: 0.38371454502434593
Energy: 0.3186491310520169
Energy: 0.36904689414850933
Energy: 0.3693018092378055
Energy: 0.3203315809919084
Energy: 0.320218975292712
Energy: 0.3361821143450532
Energy: 0.3399829503950365
Energy: 0.4074954105155024
Energy: 0.40790168692194484
Energy: 0.3394387716839806
Energy: 0.3391691135956499
Energy: 0.33844444380560096
Energy: 0.33901810805363214
Energy: 0.3479958437772906
Energy: 0.34059780841470394
Energy: 0.33940942193953716
Energy: 0.3111936443275094
Energy: 0.34165360115256427
Energy: 0.312367405569119
Energy: 0.31937291409897345
Energy: 0.38675795183907197
Energy: 0.34085504365365754
Energy: 0.3190761071601034
Energy: 0.38995988774481927
Energy: 0.309355170120031
Energy: 0.3192997696328814
Energy: 0.3190097428412527
Energy: 0.3093406714496353
Energy: 0.3228410193979768
Energy: 0.3191284727863462
Energy: 0.30975849886474255
Energy: 0.31988737413764506
Energy: 0.3795309274803812
Energy: 0.3096580098939955
Energy: 0.3095242278830562
Energy: 0.38047907849071483
Energy: 0.3125122647641867
Energy: 0.3818435245537746
Energy: 0.3804359194241409
Energy: 0.3094543169097909
Energy: 0.31994982320784005
Energy: 0.3090924671898072
Energy: 0.30874634029802667
Energy: 0.376058715808703
Energy: 0.3828218376410605
Energy: 0.3088689795755593
Energy: 0.31013980893051946
Energy: 0.31038809905742687
Energy: 0.3207622759588588
Energy: 0.3102516612568515
Energy: 0.3785664185992908
Energy: 0.31176460886186286
Energy: 0.30984884186213413
Energy: 0.37959925842832537
Energy: 0.34143454553339125
Energy: 0.30919365876185145
Energy: 0.3089820728420686
Energy: 0.3427345778280191
Energy: 0.3121715921162984
Energy: 0.30907133492885674
Energy: 0.342276696867856
Energy: 0.38015906745690103
Energy: 0.3802097827629075
Energy: 0.34420174808309295
Energy: 0.38018969631693483
Energy: 0.379931171630566
Energy: 0.3227501576854244
Energy: 0.3801754036062136
Energy: 0.3210199097171304
Energy: 0.3236674273849761
Energy: 0.37908413178573225
Energy: 0.31919621074347165
Energy: 0.31857331313832143
Energy: 0.39041831203580957
Energy: 0.3907524690134917
Energy: 0.3186197466800434
Energy: 0.39089228776828266
Energy: 0.3912088251212028
Energy: 0.31190205934496834
Energy: 0.34098902062663655
Energy: 0.3416800316002874
Energy: 0.3545500424824278
Energy: 0.340255103135298
Energy: 0.32811131178189545
Energy: 0.32026984214118315
Energy: 0.3389069197969654
Energy: 0.3384527704398033
Energy: 0.3201340258953248
Energy: 0.34098242144674684
Energy: 0.33873206765532227
Energy: 0.32050251956391623
Energy: 0.3259440155038427
Energy: 0.34951838967011817
Energy: 0.3200549910718684
Energy: 0.35098279048230296
Energy: 0.3674903237598914
Energy: 0.3694282691896857
Energy: 0.3936345511325023
Energy: 0.35066138758631604
Energy: 0.36901941766065477
Energy: 0.32533599138406544
Energy: 0.3676767003931596
Energy: 0.34907060056149897
Energy: 0.38428363029945073
Energy: 0.3848027706641895
Energy: 0.3489781626008632
Energy: 0.38453008912041414
Energy: 0.38402911804066026
Energy: 0.32340559038836914
Energy: 0.4003519229206626
Energy: 0.38355010207289136
Energy: 0.32709993328145226
Energy: 0.39985258288573466
Energy: 0.3493822595773326
Energy: 0.3699965376446498
Energy: 0.36688693878334483
Energy: 0.36961393140296206
Energy: 0.36687266041346306
Energy: 0.40310437391681464
Energy: 0.41040888171663975
Energy: 0.3651560695249623
Energy: 0.34633921808101126
Energy: 0.3748628994032339
Energy: 0.3653206665733483
Energy: 0.32199989817060526
Energy: 0.37670793228303734
Energy: 0.44355592293469204
Energy: 0.40856463909077356
Energy: 0.3520595474696549
Energy: 0.4186454123441657
Energy: 0.3454062016424963
Energy: 0.3670387539051227
Energy: 0.37470962414102404
Energy: 0.39861226183216114
Energy: 0.398039394980726
Energy: 0.3744288303507122
Energy: 0.40227311983901953
Energy: 0.4011397922167814

minimum gb energy = 0.30874634029802667 eV
minimum distance =  2.64197476145068 Angstroms
sigma value = 67


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

Energy: 0.4488014821018847
Energy: 0.5237709356112624
Energy: 0.5006569312263712
Energy: 0.3933074665847588
Energy: 0.4976770297070792
Energy: 0.49987488921272816
Energy: 0.4950332664112125
Energy: 0.4836271870963738
Energy: 0.48337480841823893
Energy: 0.46400006749733086
Energy: 0.46165041168349585
Energy: 0.416784607728807
Energy: 0.513548751422958
Energy: 0.4150370962524603
Energy: 0.4148226945905745
Energy: 0.4665051115149495
Energy: 0.41198368646431216
Energy: 0.43234230502519416
Energy: 0.46425334548988406
Energy: 0.44416111325085084
Energy: 0.41284864668439014
Energy: 0.4649913874577743
Energy: 0.41265737942445135
Energy: 0.4357513710051089
Energy: 0.46023719831109283
Energy: 0.4860437334557271
Energy: 0.43654100831331505
Energy: 0.46054553056401815
Energy: 0.48506502337674146
Energy: 0.439558864501571
Energy: 0.38435496558536664
Energy: 0.4150535023084758
Energy: 0.4630877138468163
Energy: 0.4133786966386621
Energy: 0.41319576960932214
Energy: 0.46119032052036824
Energy: 0.46759779186457034
Energy: 0.4167255120695393
Energy: 0.41528117456044744
Energy: 0.4683073286966853
Energy: 0.4150474356607
Energy: 0.4150447158073016
Energy: 0.46891395958668486
Energy: 0.3863560582977412
Energy: 0.41165075727084993
Energy: 0.469307514667591
Energy: 0.3833512813250772
Energy: 0.4626672563039284
Energy: 0.3898823825697781
Energy: 0.43953038353191526
Energy: 0.43705796044710765
Energy: 0.41533090828147745
Energy: 0.41070379844496047
Energy: 0.435927048671642
Energy: 0.3823502557564403
Energy: 0.4148128940884173
Energy: 0.41741359140058076
Energy: 0.38264509873589553
Energy: 0.41156896904839546
Energy: 0.41004544494513345
Energy: 0.384665078652612
Energy: 0.41678539463134967
Energy: 0.4114072531041947
Energy: 0.38350357008078584
Energy: 0.40456496802358505
Energy: 0.412000567166654
Energy: 0.38657313227277473
Energy: 0.46896792839429835
Energy: 0.46889746360666956
Energy: 0.3874612187885363
Energy: 0.4132021008984811
Energy: 0.381613142676841
Energy: 0.3876630720313595
Energy: 0.3878187510889495
Energy: 0.43124356429931743
Energy: 0.3882912909962836
Energy: 0.3843443320914606
Energy: 0.3815524712990091
Energy: 0.4053476822319044
Energy: 0.3961229671944578
Energy: 0.38553896403380966
Energy: 0.3831424667591748
Energy: 0.3842522950071509
Energy: 0.4629294840239216
Energy: 0.3832868934792988
Energy: 0.3859447498971506
Energy: 0.3887402817235696
Energy: 0.38248578239003816
Energy: 0.38309037053217465
Energy: 0.3811626656171112
Energy: 0.38421391474172195
Energy: 0.43323756719795226
Energy: 0.4713170677738561
Energy: 0.43593838200384677
Energy: 0.38204249720921546
Energy: 0.46964885083738783
Energy: 0.4139736495962407
Energy: 0.38003444362287525
Energy: 0.3917950201700681
Energy: 0.41468362488301674
Energy: 0.37660859431996907
Energy: 0.4104399686814318
Energy: 0.4178144881670715
Energy: 0.4362486298035045
Energy: 0.4383816963134975
Energy: 0.41045741148575454
Energy: 0.43579017061096037
Energy: 0.41028458500119525
Energy: 0.3766510585970756
Energy: 0.3849175799988394
Energy: 0.4348741877259157
Energy: 0.3908305606144461
Energy: 0.4329683064416606
Energy: 0.43287350517981493
Energy: 0.41069565988999457
Energy: 0.4666070770028041
Energy: 0.4169496375381572
Energy: 0.41076324348242427
Energy: 0.464163746144007
Energy: 0.4172798844810781
Energy: 0.4178962475259949
Energy: 0.43682616429464133
Energy: 0.3951567638939694
Energy: 0.4174651045319654
Energy: 0.4765881751655049
Energy: 0.388622990366752
Energy: 0.51262043980573
Energy: 0.39345784892986435
Energy: 0.42732128693384225
Energy: 0.4670484412577235
Energy: 0.39074750904720734
Energy: 0.3886351610179002
Energy: 0.49550721186743407
Energy: 0.4675003732059579
Energy: 0.46863293367917014
Energy: 0.4955236920033595
Energy: 0.46550606389465277
Energy: 0.4170705940224621

minimum gb energy = 0.37660859431996907 eV
minimum distance =  2.66336733634343 Angstroms
sigma value = 33


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

Energy: 0.5255013925376227
Energy: 0.506032380383545
Energy: 0.5068994490146091
Energy: 0.4448931559142467
Energy: 0.482885377699185
Energy: 0.5410118402348569
Energy: 0.5254845866681446
Energy: 0.48798517440600564
Energy: 0.48567879962018035
Energy: 0.48983763133301256
Energy: 0.48599771644829437
Energy: 0.4849549985355984
Energy: 0.5730420508054841
Energy: 0.483991996243638
Energy: 0.45464725195729266
Energy: 0.4900752383565707
Energy: 0.48000642253020676
Energy: 0.4861801035291828
Energy: 0.48658163097014545
Energy: 0.4285774630206547
Energy: 0.4553337792277428
Energy: 0.4874271783469317
Energy: 0.43413167368714034
Energy: 0.4348055155025315
Energy: 0.4848936427622515
Energy: 0.4873393804167852
Energy: 0.4861952374657984
Energy: 0.48475448914293073
Energy: 0.5524715789728931
Energy: 0.4995556014879071
Energy: 0.4266588174445186
Energy: 0.4273549901751785
Energy: 0.42863815804674626
Energy: 0.4296948131195655
Energy: 0.42763009737472624
Energy: 0.48527837064857027
Energy: 0.48537963305630044
Energy: 0.428785148831654
Energy: 0.49921801026712076
Energy: 0.4856101138621068
Energy: 0.4286802792814595
Energy: 0.49617629300083604
Energy: 0.48964530017132973
Energy: 0.42684411462536376
Energy: 0.45504248862733826
Energy: 0.49041103669437125
Energy: 0.4296665766800035
Energy: 0.48546074239270953
Energy: 0.4279204068611141
Energy: 0.4867266976802023
Energy: 0.48836367898748334
Energy: 0.43437848252996897
Energy: 0.42739569236054087
Energy: 0.5296199890266664
Energy: 0.42808548079991054
Energy: 0.4319766791545558
Energy: 0.4269129878441581
Energy: 0.4275909061323217
Energy: 0.4287447367089646
Energy: 0.4272987783579067
Energy: 0.45772639758681477
Energy: 0.4381722452315847
Energy: 0.4278084421991959
Energy: 0.4294287730626924
Energy: 0.4278812424689597
Energy: 0.42811318773977786
Energy: 0.4266913899143457
Energy: 0.46337499682337563
Energy: 0.42762532165848244
Energy: 0.4267222629770177
Energy: 0.44179138788268213
Energy: 0.4272268990836105
Energy: 0.4269211517835392
Energy: 0.43541508292854764
Energy: 0.4275242261884415
Energy: 0.42690810180994854
Energy: 0.4342441659147382
Energy: 0.4270054537981045
Energy: 0.411345421478715
Energy: 0.43304466958494203
Energy: 0.435034462516549
Energy: 0.4134316036081714
Energy: 0.4608214631783283
Energy: 0.4421182113241645
Energy: 0.41115586728022935
Energy: 0.49001655733905813
Energy: 0.4857292251022378
Energy: 0.41126330710769654
Energy: 0.48687436537370193
Energy: 0.4559931569627214
Energy: 0.435443726751497
Energy: 0.5011876369582311
Energy: 0.44167463828462605
Energy: 0.434763541016546
Energy: 0.44180527451886337
Energy: 0.4337553680935029
Energy: 0.5724516125701361
Energy: 0.44734736479069304
Energy: 0.4416624460453674
Energy: 0.5731639213773613
Energy: 0.4441471820299964
Energy: 0.47352143079855946
Energy: 0.5553373844410088
Energy: 0.48558118487211005
Energy: 0.48496544113339
Energy: 0.48962452643759063
Energy: 0.49160929247858876
Energy: 0.547262431221439
Energy: 0.4419873650345289
Energy: 0.49112615471699206
Energy: 0.44184494800837726
Energy: 0.44511228972004396
Energy: 0.4909797969555462
Energy: 0.47283358558038807
Energy: 0.5252152662473224
Energy: 0.48742720674803414
Energy: 0.49016038087873304
Energy: 0.525305343336181
Energy: 0.5526566041540877
Energy: 0.4854368111007825
Energy: 0.5749227399199015
Energy: 0.45570007898873627
Energy: 0.4551581677754865
Energy: 0.48984665251470333
Energy: 0.43031118752139497
Energy: 0.486571913663417
Energy: 0.4857771429133257
Energy: 0.48365328803246005
Energy: 0.45486384149611925
Energy: 0.4860280860863693
Energy: 0.4943565278241125
Energy: 0.43512313655625934
Energy: 0.48493805781022487
Energy: 0.48871071277429506
Energy: 0.4856383578817961
Energy: 0.4848678270484655
Energy: 0.55192934692686
Energy: 0.4990380639331647
Energy: 0.4267567898760399
Energy: 0.4274751553954346
Energy: 0.4280989736004928
Energy: 0.42860091683431234
Energy: 0.5169196061432665
Energy: 0.49649076766113015
Energy: 0.4852163472150233
Energy: 0.49850142398750874
Energy: 0.498702408932128
Energy: 0.4853885108967115
Energy: 0.4286195638492696
Energy: 0.4631848177714554
Energy: 0.4876306054809553
Energy: 0.42675858382678455
Energy: 0.4551188178935403
Energy: 0.48865839497639973
Energy: 0.4294499638741851
Energy: 0.48523044176827945
Energy: 0.4770763879969995
Energy: 0.4273102963167638
Energy: 0.42887613523115065
Energy: 0.4747858391790043
Energy: 0.44011650989576656
Energy: 0.4333267572479243
Energy: 0.42766186825088837
Energy: 0.43205153984437283
Energy: 0.4269696226101985
Energy: 0.4281131158417717
Energy: 0.429564286307582
Energy: 0.42720580651781465
Energy: 0.4582492694366598
Energy: 0.4275213296064756
Energy: 0.42871633753227484
Energy: 0.43086282963705685
Energy: 0.427175410535812
Energy: 0.4278657253824088
Energy: 0.426968171604711
Energy: 0.4282269543613002
Energy: 0.4274933470534911
Energy: 0.426903019241821
Energy: 0.4419196800201521
Energy: 0.42705430406605766
Energy: 0.4320027169818114
Energy: 0.43450348800689
Energy: 0.42709091183536346
Energy: 0.43279303655236273
Energy: 0.43424831288245597
Energy: 0.42724585216294886
Energy: 0.41178333118229754
Energy: 0.4331742363919061
Energy: 0.4360115311251497
Energy: 0.41288655939922714
Energy: 0.4579578083887245
Energy: 0.4426045127451015
Energy: 0.41117604150467985
Energy: 0.48940699642903673
Energy: 0.48549934818530754
Energy: 0.41145393796459656
Energy: 0.4871811830165665
Energy: 0.45633228516642854
Energy: 0.4348781404909239
Energy: 0.44406795591775394
Energy: 0.49689670320549
Energy: 0.4348200393448777
Energy: 0.44189211829557384
Energy: 0.49825028418085626
Energy: 0.5721186417257353
Energy: 0.4412165037868767
Energy: 0.44196554881353634
Energy: 0.5721307347600897
Energy: 0.4151252018902768
Energy: 0.47366776575157743
Energy: 0.5553539344031692
Energy: 0.4853098406761234
Energy: 0.4850468622308905
Energy: 0.48967671089760006
Energy: 0.4857007084102415
Energy: 0.4345685242718345
Energy: 0.441942372601475
Energy: 0.4889362650119247
Energy: 0.44204785114030837
Energy: 0.4433978031429429
Energy: 0.4892950273141827
Energy: 0.4967023110435358

minimum gb energy = 0.41115586728022935 eV
minimum distance =  2.66602235801105 Angstroms
sigma value = 41


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

Energy: 0.7258046831056277
Energy: 0.556601655935538
Energy: 0.557426996198729
Energy: 0.5406196099027534
Energy: 0.7982508568413165
Energy: 0.5570438138950111
Energy: 0.5353805483695753
Energy: 0.5820905340305329
Energy: 0.5797764820950719
Energy: 0.5170691083098097
Energy: 0.580012952991136
Energy: 0.5052879975154879
Energy: 0.5870458251363845
Energy: 0.5077903211586678
Energy: 0.5029145345921068
Energy: 0.5879492252631705
Energy: 0.5043313435009973
Energy: 0.5763676332931551
Energy: 0.519969051869232
Energy: 0.5038638400377695
Energy: 0.48018388913569515
Energy: 0.5201122454779239
Energy: 0.49106810125993827
Energy: 0.5051902417827132
Energy: 0.5037484038296969
Energy: 0.5818554984879362
Energy: 0.518374046143835
Energy: 0.5036196859923349
Energy: 0.5796178712696276
Energy: 0.4935430227212086
Energy: 0.5362599629926033
Energy: 0.5365922737335163
Energy: 0.5169962442910275
Energy: 0.48339665577344465
Energy: 0.536609976095356
Energy: 0.5043622582334161
Energy: 0.5030718084558896
Energy: 0.49203893666069887
Energy: 0.4908059869758733
Energy: 0.5033612006702931
Energy: 0.5966041258084847
Energy: 0.5033705617606192
Energy: 0.5049309202122164
Energy: 0.48206399503383707
Energy: 0.5037564665855527
Energy: 0.5058627900924769
Energy: 0.4838180663573549
Energy: 0.5041040039009771
Energy: 0.5865636385381782
Energy: 0.5060086367315593
Energy: 0.4809558409300889
Energy: 0.47026166675769926
Energy: 0.5030021611888059
Energy: 0.48046494521653815
Energy: 0.5433077362927358
Energy: 0.5083854102418989
Energy: 0.5039495241328019
Energy: 0.48558425247559106
Energy: 0.504415367195328
Energy: 0.48083814489292964
Energy: 0.5122922446650244
Energy: 0.5042218509275386
Energy: 0.49120917897308125
Energy: 0.4825548997624494
Energy: 0.46899062664131286
Energy: 0.4828303843234652
Energy: 0.5835273985815231
Energy: 0.4716443002744632
Energy: 0.5366637571680772
Energy: 0.5840017245273004
Energy: 0.4683964342901931
Energy: 0.5382134202062745
Energy: 0.5896812529062336
Energy: 0.5049967962453437
Energy: 0.5173438954159468
Energy: 0.5162877360419932
Energy: 0.5053759958982772
Energy: 0.5060489589847037
Energy: 0.46917616971713016
Energy: 0.5159057422409109
Energy: 0.4690466417584073
Energy: 0.47227896540815045
Energy: 0.5156790709359129
Energy: 0.4685778311427351

minimum gb energy = 0.4683964342901931 eV
minimum distance =  2.68430908466493 Angstroms
sigma value = 11


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

Energy: 0.9183079231936848
Energy: 0.6472756192685456
Energy: 0.5993753444763062
Energy: 0.6721873632239234
Energy: 0.6426617660885143
Energy: 0.6495917597559483
Energy: 0.6634491990159589
Energy: 0.5585408699679333
Energy: 0.558314625068971
Energy: 0.6144530514611903
Energy: 0.5591611869678513
Energy: 0.5593438216568988
Energy: 0.6667668220666501
Energy: 0.5709101463368831
Energy: 0.5867269734570962
Energy: 0.6671445733752759
Energy: 0.5689661086605318
Energy: 0.5890692212136127
Energy: 0.6133350771257434
Energy: 0.5427907693787583
Energy: 0.5720382353713704
Energy: 0.5825967988440124
Energy: 0.5597612063666343
Energy: 0.5725067916307476
Energy: 0.6128747653160517
Energy: 0.5589953618202922
Energy: 0.5584420299854175
Energy: 0.589641811939647
Energy: 0.5593558345695419
Energy: 0.5579655651922075
Energy: 0.6128790836049915
Energy: 0.5636172902400581
Energy: 0.5666977557986563
Energy: 0.5593533099092155
Energy: 0.5636526887291217
Energy: 0.5705890609239769
Energy: 0.5631610042546443
Energy: 0.5653891878755217
Energy: 0.5667445142878206
Energy: 0.5632960845341329
Energy: 0.5557487968925733
Energy: 0.5635771117245381
Energy: 0.5634437304879647
Energy: 0.5977486410800772
Energy: 0.5579737505519772
Energy: 0.5591952752058897
Energy: 0.61632024128434
Energy: 0.5585009371971823
Energy: 0.5656583162986932
Energy: 0.5857494318009124
Energy: 0.5732749927578263
Energy: 0.5649750155409773
Energy: 0.5707650407961542
Energy: 0.5460587541864963
Energy: 0.5661822198278544
Energy: 0.5863874870413255
Energy: 0.5902109525894942
Energy: 0.565255296862261
Energy: 0.5915376057518299
Energy: 0.5458129018014579
Energy: 0.5634277889449333
Energy: 0.5627973206447789
Energy: 0.5585290773160411
Energy: 0.5590443533894062
Energy: 0.5806247855019218
Energy: 0.5586811808964532
Energy: 0.557900778537532
Energy: 0.5866781828831892
Energy: 0.5437668215403311
Energy: 0.5584226797081823
Energy: 0.5876891774052352
Energy: 0.6412963224958377
Energy: 0.5586269965310152
Energy: 0.5908109492093706
Energy: 0.604840735520856
Energy: 0.5586676921572241
Energy: 0.6151597404224548
Energy: 0.5589197900929845
Energy: 0.5831137677126235
Energy: 0.668451268272977
Energy: 0.5911758947668572
Energy: 0.5762016784833084
Energy: 0.6671687505260632
Energy: 0.5887106301327975
Energy: 0.5442684039342288
Energy: 0.5874917909865409
Energy: 0.5450775791818823
Energy: 0.5443742713827897
Energy: 0.570633922186304
Energy: 0.5443162394007366
Energy: 0.5444714245791823
Energy: 0.596287082713977
Energy: 0.5440659998325825
Energy: 0.5456398820613619
Energy: 0.5704908465702914
Energy: 0.5440875532374017
Energy: 0.5440152936066742
Energy: 0.5742348234373469
Energy: 0.5449342715671912
Energy: 0.544105331209677
Energy: 0.5873075203066362
Energy: 0.5672714851469212
Energy: 0.720859568290331
Energy: 0.611587507177049
Energy: 0.5928024814244012
Energy: 0.5685474373062963
Energy: 0.6124127243951193
Energy: 0.5750076156953512
Energy: 0.5815274664374017
Energy: 0.5706056150319243
Energy: 0.5698245001313893
Energy: 0.5814378374522231
Energy: 0.5866465361954218
Energy: 0.5780234866290411
Energy: 0.5941205283978982
Energy: 0.5873766259449432
Energy: 0.5895795418458838
Energy: 0.5949694275154405
Energy: 0.5860163979241532
Energy: 0.582613766832903
Energy: 0.6101655815559999
Energy: 0.5442297143104607
Energy: 0.5906318541299383
Energy: 0.5706715157722476
Energy: 0.590689359473196
Energy: 0.5791142754807164
Energy: 0.5679474435989336
Energy: 0.5837321634476133
Energy: 0.5794415409193817
Energy: 0.5574262009819829
Energy: 0.5709127202155708
Energy: 0.5780451528132549
Energy: 0.5562837488903732
Energy: 0.582689813534145
Energy: 0.587871928386732
Energy: 0.5691069778500992
Energy: 0.596073508494732
Energy: 0.5872144749084915
Energy: 0.6179213920088974
Energy: 0.5815599034388121
Energy: 0.5877569390092127
Energy: 0.5826766201046122
Energy: 0.5816503071369674
Energy: 0.5698134443984232
Energy: 0.6096284252457012
Energy: 0.5775810174831832
Energy: 0.5777767999917356
Energy: 0.6107718471947798
Energy: 0.5565833542716524
Energy: 0.6082758694469255
Energy: 0.6370463297078836
Energy: 0.5449910557181613
Energy: 0.5574132355402185
Energy: 0.5711516987646315
Energy: 0.5441149440957269
Energy: 0.5448780742679488
Energy: 0.6359221604857361
Energy: 0.5439255025032046
Energy: 0.544061927212131
Energy: 0.5705971066122396
Energy: 0.5462116820057491
Energy: 0.5438508046119375
Energy: 0.6356851743591895
Energy: 0.5853971494852247
Energy: 0.5441271005341429
Energy: 0.5709298962627279
Energy: 0.5440556746593863
Energy: 0.5443711992163734
Energy: 0.6676329001530752
Energy: 0.5818154872816195
Energy: 0.581916341770228
Energy: 0.6675444685407601
Energy: 0.5670522052402677
Energy: 0.5972305194518936
Energy: 0.7072743235442502
Energy: 0.5587230447286575
Energy: 0.559046649827275
Energy: 0.5905388636363673
Energy: 0.5585258564521339
Energy: 0.5709071137514912
Energy: 0.5462844815417671
Energy: 0.5613332139921726
Energy: 0.6089526617761003
Energy: 0.5887336550347726
Energy: 0.5587329062857159
Energy: 0.5843317640794284

minimum gb energy = 0.5427907693787583 eV
minimum distance =  2.64954398576852 Angstroms
sigma value = 57


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

Energy: 0.821082281116409
Energy: 0.647436447146625
Energy: 0.6501372438510243
Energy: 0.6438312692249542
Energy: 0.8806373265032507
Energy: 0.6440067118267261
Energy: 0.5235927953844044
Energy: 0.5405947584560515
Energy: 0.5407104076789665
Energy: 0.5601536389275964
Energy: 0.5633451127127808
Energy: 0.5401309707527415
Energy: 0.5913525996675244
Energy: 0.6210691339038983
Energy: 0.5829764384472343
Energy: 0.5923035592611604
Energy: 0.5567066032284291
Energy: 0.5875210828611332
Energy: 0.557850110192025
Energy: 0.5412086394653925
Energy: 0.539248800831246
Energy: 0.5591503368662725
Energy: 0.5566719518302268
Energy: 0.5396209117627072
Energy: 0.5581500172578195
Energy: 0.5616556683034416
Energy: 0.5428210540105812
Energy: 0.5594403707025076
Energy: 0.5913386959487745
Energy: 0.539476540685663
Energy: 0.5595039312323641
Energy: 0.5909531789382239
Energy: 0.5906608474136932
Energy: 0.5617382432582245
Energy: 0.5933548480491657
Energy: 0.5883168906191685
Energy: 0.593969467163832
Energy: 0.5921683228195244
Energy: 0.5331022085304057
Energy: 0.5938779881378489
Energy: 0.5900407589793569
Energy: 0.5906442682868056
Energy: 0.6265863901622095
Energy: 0.5638009109149695
Energy: 0.5399803714879524
Energy: 0.5622339371748803
Energy: 0.5734735629042019
Energy: 0.5393214776761023
Energy: 0.5577666714525744
Energy: 0.5934307866072543
Energy: 0.6176403313778827
Energy: 0.5236153470448969
Energy: 0.5892313206226515
Energy: 0.5253356439711172
Energy: 0.5240221637622207
Energy: 0.6100854945344646
Energy: 0.6214041965040974
Energy: 0.5271473791752914
Energy: 0.5914562602338829
Energy: 0.5244154453650838
Energy: 0.6260053200490745
Energy: 0.5656884931567893
Energy: 0.5399315632114103
Energy: 0.5621321173144601
Energy: 0.558851825664828
Energy: 0.539313793923845
Energy: 0.5873410045153163
Energy: 0.6218744020219196
Energy: 0.6208939009744137
Energy: 0.587973415855762
Energy: 0.6241870058523933
Energy: 0.5879084605012371
Energy: 0.560694231824655
Energy: 0.5393375788790227
Energy: 0.5406797226099347
Energy: 0.5613074645679234
Energy: 0.5642241636104675
Energy: 0.5391935672304373
Energy: 0.5599660426154943
Energy: 0.5938092030628422
Energy: 0.5908149179203006
Energy: 0.5395783888337754
Energy: 0.5918006989821024
Energy: 0.587205337446493
Energy: 0.591066531400952
Energy: 0.5865817814642629
Energy: 0.5403804889515871
Energy: 0.5598261952081732
Energy: 0.5840054086051008
Energy: 0.5394943055292959
Energy: 0.5910222967098873
Energy: 0.5870158416075496
Energy: 0.5242015558653738
Energy: 0.5910839290364932
Energy: 0.5845230938205329
Energy: 0.5612656912114852
Energy: 0.5235822213909909
Energy: 0.5396097726892323
Energy: 0.5407648138907996
Energy: 0.5237215693032741
Energy: 0.5630842732040614
Energy: 0.5398419307056175

minimum gb energy = 0.5235822213909909 eV
minimum distance =  2.67553592014389 Angstroms
sigma value = 9


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

Energy: 1.0127334005002722
Energy: 0.6464984200290765
Energy: 0.6868613797885517
Energy: 0.6807603636402066
Energy: 0.691671194406832
Energy: 0.6898366381164354
Energy: 0.6134581099643508
Energy: 0.5954371495328741
Energy: 0.5972063118611426
Energy: 0.588534977937496
Energy: 0.5951837489859121
Energy: 0.6052064050358383
Energy: 0.6621271554120264
Energy: 0.5869612213220529
Energy: 0.5815720219597112
Energy: 0.6630337407592174
Energy: 0.6142737488641848
Energy: 0.6093524750919744
Energy: 0.5877787501522302
Energy: 0.6016871692342636
Energy: 0.629464107104342
Energy: 0.5880580403380562
Energy: 0.6001468309409845
Energy: 0.603428190523601
Energy: 0.6406677691094756
Energy: 0.588650714141327
Energy: 0.5842823881672861
Energy: 0.5767864542737203
Energy: 0.6042958959802033
Energy: 0.577134641602352
Energy: 0.6068103531734262
Energy: 0.6124379674612086
Energy: 0.6117710737205806
Energy: 0.5848777511556426
Energy: 0.6066668903251621
Energy: 0.6119658492321561
Energy: 0.5856120931971361
Energy: 0.5626553995814125
Energy: 0.5880294951856463
Energy: 0.5865099151520129
Energy: 0.6241506869775492
Energy: 0.5889344603289853
Energy: 0.6028928527213698
Energy: 0.5880420852113725
Energy: 0.6061905805820353
Energy: 0.5860197697256536
Energy: 0.5888076169363159
Energy: 0.6162034590486916
Energy: 0.7323666345247157
Energy: 0.5977095267189854
Energy: 0.5873199195506472
Energy: 0.6308262626132745
Energy: 0.607241133339678
Energy: 0.6011375504797359
Energy: 0.6103610675891389
Energy: 0.5894768374654862
Energy: 0.5855027486858912
Energy: 0.6062207404907458
Energy: 0.586853204230088
Energy: 0.577117466218794
Energy: 0.6027205959255872
Energy: 0.5997954749068607
Energy: 0.5774733561322329
Energy: 0.5856577699731766
Energy: 0.5966898280602915
Energy: 0.577929578029721
Energy: 0.6114411999548015
Energy: 0.5888252708166379
Energy: 0.5865081803011433
Energy: 0.595425077703641
Energy: 0.6010145164000887
Energy: 0.5854638125602876
Energy: 0.7564416101211151
Energy: 0.6270208930254986
Energy: 0.5900457576316437
Energy: 0.6217348865178798
Energy: 0.6238424206839525
Energy: 0.6223716855551791
Energy: 0.6189315836742322
Energy: 0.6094138033230128
Energy: 0.6014945600104675
Energy: 0.5895038432150738
Energy: 0.5856816663040164
Energy: 0.6011474234446865
Energy: 0.6039253084982676
Energy: 0.5756592627637513
Energy: 0.5839641237088956
Energy: 0.6046667513234839
Energy: 0.5755589792100371
Energy: 0.5961350820081476
Energy: 0.6047425414486807
Energy: 0.5879380331161204
Energy: 0.5806545482897647
Energy: 0.6048192964535262
Energy: 0.6284753588226911
Energy: 0.6167352372149352
Energy: 0.5955584831438896
Energy: 0.6018967603013146
Energy: 0.6301603389734408
Energy: 0.5956410374739091
Energy: 0.5878730601909418
Energy: 0.6034200219254936
Energy: 0.7025876254359835
Energy: 0.6359833656904884
Energy: 0.58787324234085
Energy: 0.6639135133160691
Energy: 0.6329367206079152
Energy: 0.5778035631258615
Energy: 0.5967304994609002
Energy: 0.5881815528787254
Energy: 0.5989871333435818
Energy: 0.5962618246777975
Energy: 0.5898011738234905
Energy: 0.6044255385133737
Energy: 0.5951374340670246
Energy: 0.5878452786113842
Energy: 0.5993613958081311
Energy: 0.5957214651420981
Energy: 0.6089463886425815
Energy: 0.6008834637908521
Energy: 0.5948622253636038
Energy: 0.6006970967818374
Energy: 0.5965836075175024
Energy: 0.5849941440430381
Energy: 0.599184430857322
Energy: 0.58478107341331

minimum gb energy = 0.5626553995814125 eV
minimum distance =  2.68640355252932 Angstroms
sigma value = 27


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

Energy: 0.6911616045402272
Energy: 0.5763290662706716
Energy: 0.5790268322937004
Energy: 0.5962524533024816
Energy: 0.9268108203101489
Energy: 0.5678517949062376
Energy: 0.5816213778431436
Energy: 0.5892299475489073
Energy: 0.5874507568502091
Energy: 0.6084140158524015
Energy: 0.5846852831409118
Energy: 0.5904056817128815
Energy: 0.6164888471284397
Energy: 0.6049283829666972
Energy: 0.6003023561703501
Energy: 0.6170764533177403
Energy: 0.6052142304549515
Energy: 0.5966175839079815
Energy: 0.609289209756147
Energy: 0.5898400323233456
Energy: 0.6080463972368209
Energy: 0.6101029078848539
Energy: 0.5967684902610804
Energy: 0.6055328692868244
Energy: 0.6205671991070326
Energy: 0.5934634179233006
Energy: 0.582021487499257
Energy: 0.6215019036075253
Energy: 0.5981447639728147
Energy: 0.5800044548397233
Energy: 0.6271324217360514
Energy: 0.6030532855969511
Energy: 0.6054898333033101
Energy: 0.6278208985063741
Energy: 0.6037703213159058
Energy: 0.6059501734843034
Energy: 0.5932657972885799
Energy: 0.5392447663975986
Energy: 0.5369122835708222
Energy: 0.593916180176909
Energy: 0.5806087977592091
Energy: 0.5390434291866195
Energy: 0.5911674437745503
Energy: 0.5757872814627751
Energy: 0.5794857208790739
Energy: 0.591760241596547
Energy: 0.5837822676060335
Energy: 0.5923068619745702
Energy: 0.7065589086225333
Energy: 0.6095739225701687
Energy: 0.5902019713664021
Energy: 0.60396383053175
Energy: 0.61805583676058
Energy: 0.589171663551049
Energy: 0.6967373855549962
Energy: 0.5948249444457414
Energy: 0.5893686436086027
Energy: 0.5987934577103798
Energy: 0.6101795796699727
Energy: 0.5888847607612628
Energy: 0.5906052946456682
Energy: 0.5805418189145299
Energy: 0.5800187828797607
Energy: 0.591137430194937
Energy: 0.6153398434006995
Energy: 0.5799288223219253
Energy: 0.5998778230619805
Energy: 0.6066496313814289
Energy: 0.606486520293122
Energy: 0.6008481190251005
Energy: 0.6178662807830285
Energy: 0.6135079755011622
Energy: 0.5810970575847813
Energy: 0.6061587854389056
Energy: 0.5374589496219171
Energy: 0.582300883239302
Energy: 0.6044685983739548
Energy: 0.545595348503199
Energy: 0.5770513469215147
Energy: 0.6009855553521259
Energy: 0.5992703986726016
Energy: 0.5784943938725534
Energy: 0.6057568494638309
Energy: 0.5475781504420821
Energy: 0.6001858558810756
Energy: 0.6047251915018472
Energy: 0.6108385463496079
Energy: 0.5998623481499284
Energy: 0.619105446058746
Energy: 0.6078010172164472
Energy: 0.6399963205424067
Energy: 0.6101943732739034
Energy: 0.6040545978191871
Energy: 0.6122975630949256
Energy: 0.6018794257536836
Energy: 0.6018269560345212
Energy: 0.6157334043393842
Energy: 0.5991868891994069
Energy: 0.600755237794868
Energy: 0.6160517177684569
Energy: 0.600156135992778
Energy: 0.5843342342277124
Energy: 0.6347375840295828
Energy: 0.5831382671542714
Energy: 0.5822568578437732
Energy: 0.6198694544696302
Energy: 0.6006105926856767
Energy: 0.5818814813901176
Energy: 0.5925681314490345
Energy: 0.5404064091945758
Energy: 0.5470788819815895
Energy: 0.59343686517188
Energy: 0.5446947364725127
Energy: 0.5461039490148043
Energy: 0.5950160339821667
Energy: 0.5372833309218502
Energy: 0.5471174034698282
Energy: 0.5955912891832357
Energy: 0.5421240701412483
Energy: 0.5419444986587786
Energy: 0.594619303187449
Energy: 0.5825033170396694
Energy: 0.5838506141443098
Energy: 0.6079732523971684
Energy: 0.5816970486541435
Energy: 0.5816734315406799
Energy: 0.6157047524418204
Energy: 0.6179270126696339
Energy: 0.6172458335090328
Energy: 0.6164981330141558
Energy: 0.6192008768247198
Energy: 0.5903075942098455
Energy: 0.5961682327531735
Energy: 0.6056038154633289
Energy: 0.6063131753995553
Energy: 0.5947563546151414
Energy: 0.6041645182129315
Energy: 0.6071932075818538
Energy: 0.5948515505398001
Energy: 0.6146198515311885
Energy: 0.6118554940654203
Energy: 0.6022849198806951
Energy: 0.6183326108224177
Energy: 0.6046461303033298
Energy: 0.6298751125584477
Energy: 0.6274356079169239
Energy: 0.6302117921968728
Energy: 0.6048969260723587
Energy: 0.625014301200745
Energy: 0.5691861293598617

minimum gb energy = 0.5369122835708222 eV
minimum distance =  2.69588532836996 Angstroms
sigma value = 19


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

Energy: 0.6283715009918416
Energy: 0.596328878679737
Energy: 0.5835622006016106
Energy: 0.5980817602905549
Energy: 0.5993061025278826
Energy: 0.5844255863718814
Energy: 0.5924291503225874
Energy: 0.5838823147489647
Energy: 0.5845739415199943
Energy: 0.6267377907409527
Energy: 0.5939405251566756
Energy: 0.5853724623147979
Energy: 0.603652528951335
Energy: 0.5843457605262212
Energy: 0.5776247819746457
Energy: 0.5989930257659077
Energy: 0.6011375833128014
Energy: 0.5798391620706362
Energy: 0.6047737702470427
Energy: 0.6207179539839043
Energy: 0.5776350439346667
Energy: 0.5902990882263534
Energy: 0.5892750464830279
Energy: 0.5828036603034871
Energy: 0.604173599094933
Energy: 0.5989849618773477
Energy: 0.5860598960592222
Energy: 0.6070441834714433
Energy: 0.5985698606946055
Energy: 0.5909519735629818
Energy: 0.6163669707559019
Energy: 0.5860243696355001
Energy: 0.6305218191486879
Energy: 0.613828852394662
Energy: 0.5824136618525302
Energy: 0.5838348818597567
Energy: 0.6018245744468481
Energy: 0.5909700598990217
Energy: 0.5818866632790364
Energy: 0.5967249265893628
Energy: 0.5959598869372303
Energy: 0.5868237040610762
Energy: 0.6284326148624487
Energy: 0.5893679585692148
Energy: 0.5849384591412725
Energy: 0.6324805736191004
Energy: 0.5926974878087716
Energy: 0.5848731044784063
Energy: 0.5933118826807914
Energy: 0.5858892941264863
Energy: 0.5873065060763591
Energy: 0.597220767879247
Energy: 0.5915892401184478
Energy: 0.5839881682614229
Energy: 0.5936352496277134
Energy: 0.6009564244934952
Energy: 0.6016743187157251
Energy: 0.593768614289149
Energy: 0.6012924070466839
Energy: 0.5900057246556252
Energy: 0.6000823690223639
Energy: 0.5612225630612575
Energy: 0.5679759267490813
Energy: 0.5989105827994011
Energy: 0.576732023794058
Energy: 0.5886424791014176
Energy: 0.5915890063956766
Energy: 0.5951099113408177
Energy: 0.5594188751577522
Energy: 0.571497024314193
Energy: 0.6003605989285745
Energy: 0.5595247385319536
Energy: 0.6553669600399805
Energy: 0.5906711368666685
Energy: 0.5886543788729689
Energy: 0.592616311815574
Energy: 0.594018056372139
Energy: 0.5837885834203312
Energy: 0.6300428063225267
Energy: 0.6035060498623603
Energy: 0.6057090951635226
Energy: 0.5802551259986991
Energy: 0.6012578926255604
Energy: 0.6026217942450144
Energy: 0.591363699545649
Energy: 0.5684297012638465
Energy: 0.5664816711860514
Energy: 0.5919432913273779
Energy: 0.5809463819020523
Energy: 0.5595422769066872
Energy: 0.5920166660990585
Energy: 0.5855158786424922
Energy: 0.5582150441660866
Energy: 0.5843346919856186
Energy: 0.5861604761098476
Energy: 0.5623482846311607
Energy: 0.5916919977156063
Energy: 0.6001744445057318
Energy: 0.5928939896693088
Energy: 0.5799999475922321
Energy: 0.6024267773393566
Energy: 0.5939602408737319
Energy: 0.607733674034423
Energy: 0.5749741382365349
Energy: 0.5665510923040498
Energy: 0.5823075939952671
Energy: 0.5811534520479573
Energy: 0.5630617539570247
Energy: 0.6088181560683699
Energy: 0.609354854065795
Energy: 0.5798719401117949
Energy: 0.598973687110098
Energy: 0.6071237347250013
Energy: 0.5740762865086667
Energy: 0.6003938522135728
Energy: 0.5848955255842139
Energy: 0.5799468661798178
Energy: 0.5808689755118522
Energy: 0.6070720578811698
Energy: 0.5751050956951304
Energy: 0.5823935583210729
Energy: 0.5680536242808145
Energy: 0.5666843482444679
Energy: 0.5863979091105427
Energy: 0.5717266840816604
Energy: 0.562084976015233
Energy: 0.5898797585827499
Energy: 0.5623919516390528
Energy: 0.559637592812503
Energy: 0.5896983672431166
Energy: 0.5733798271614884
Energy: 0.5593054317992141
Energy: 0.6159150972628247
Energy: 0.5914385688126382
Energy: 0.592204476147188
Energy: 0.6167571737350354
Energy: 0.6268628822759517
Energy: 0.5854071568108052
Energy: 0.6235069287174974
Energy: 0.5836005566862984
Energy: 0.5942176806958397
Energy: 0.6179193563256961
Energy: 0.5841472295393509
Energy: 0.6095435638730025
Energy: 0.6129510272970645
Energy: 0.5675887804405764
Energy: 0.5637478051169817
Energy: 0.5880363429595591
Energy: 0.5828501834673069
Energy: 0.5588739683300833
Energy: 0.6015635699510304
Energy: 0.5848341413030989
Energy: 0.5796097029874628
Energy: 0.5944374945727408
Energy: 0.5838826659555564
Energy: 0.5798171295694143
Energy: 0.6021820199115946
Energy: 0.5762841280621754
Energy: 0.576261846540475
Energy: 0.5932877377868907
Energy: 0.5986520621676116
Energy: 0.5952840196120603
Energy: 0.6020918004556003
Energy: 0.5970381729942297
Energy: 0.5837221487299425
Energy: 0.5954002253617523
Energy: 0.5927615553618019
Energy: 0.5843402326298525
Energy: 0.6161008387615508
Energy: 0.6273177733350812
Energy: 0.6271360553015575
Energy: 0.5781023217535696
Energy: 0.626229920970592
Energy: 0.5839916248412783

minimum gb energy = 0.5582150441660866 eV
minimum distance =  2.64536178937467 Angstroms
sigma value = 101


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

Energy: 0.8776529715274767
Energy: 0.5906918827641329
Energy: 0.5891812577147507
Energy: 0.5685767616298429
Energy: 0.5887513235279151
Energy: 0.5857257741511239
Energy: 0.6320634443878552
Energy: 0.5745882792859246
Energy: 0.5759807653690939
Energy: 0.6001871075320785
Energy: 0.5624274606227344
Energy: 0.5896198168386693
Energy: 0.6004821770211265
Energy: 0.5692850882075167
Energy: 0.5686920489232062
Energy: 0.592348778849933
Energy: 0.573733430478059
Energy: 0.5669618614533017
Energy: 0.5907563892224567
Energy: 0.5845546755313935
Energy: 0.5869898628572366
Energy: 0.5701672423196815
Energy: 0.5696931286692345
Energy: 0.588179307008014
Energy: 0.5756009334998287
Energy: 0.5890392569554437
Energy: 0.565617961947889
Energy: 0.5788596272316243
Energy: 0.5906756111700918
Energy: 0.5843240806835962
Energy: 0.5742591201459807
Energy: 0.5870693864348575
Energy: 0.5869109816465822
Energy: 0.5750756005655466
Energy: 0.6056492909105518
Energy: 0.5719671463016872
Energy: 0.6007449458044302
Energy: 0.5669513048095057
Energy: 0.5661467791397012
Energy: 0.5873224843273441
Energy: 0.5640397880798499
Energy: 0.5667659176053962
Energy: 0.5948007388950878
Energy: 0.5861973796413973
Energy: 0.6066154778274158
Energy: 0.5899668197392562
Energy: 0.5734738196140843
Energy: 0.5883544490376873
Energy: 0.5639339857363439
Energy: 0.5646744651563159
Energy: 0.5675161563045705
Energy: 0.5660805429101887
Energy: 0.5695350125900143
Energy: 0.5775730930828685
Energy: 0.5625502385078582
Energy: 0.5807428138197058
Energy: 0.5803897533511405
Energy: 0.5605783031008952
Energy: 0.5810941110061816
Energy: 0.5768706063507184
Energy: 0.5959311609137311
Energy: 0.5412609327253002
Energy: 0.5460177108592091
Energy: 0.5917732292998371
Energy: 0.5415590752854792
Energy: 0.5748557090886675
Energy: 0.6071838637615355
Energy: 0.5695827774096378
Energy: 0.5769707885587979
Energy: 0.5849896284229159
Energy: 0.5735206084841167
Energy: 0.5804264798085518
Energy: 0.5720700952426708
Energy: 0.5647375945880401
Energy: 0.5656708936860877
Energy: 0.56068144605734
Energy: 0.5642739233198671
Energy: 0.5689985210677365
Energy: 0.5703234153577007
Energy: 0.5644205745837934
Energy: 0.5659373737339892
Energy: 0.5689607857419235
Energy: 0.5536262626004521
Energy: 0.5813219125886958
Energy: 0.5989286088397868
Energy: 0.5688237864073531
Energy: 0.5762095583463825
Energy: 0.592144551800777
Energy: 0.566551070079015
Energy: 0.5797720290554539
Energy: 0.5998272591610561
Energy: 0.5639407532107842
Energy: 0.5732773095651071
Energy: 0.5643833277600594
Energy: 0.5763620007415874
Energy: 0.588430504699162
Energy: 0.5627616674925339
Energy: 0.6361255724147916
Energy: 0.5865639468240565
Energy: 0.5436039171536892
Energy: 0.636815476327175
Energy: 0.5422221189395513
Energy: 0.6301857871637716
Energy: 0.5762634981053636
Energy: 0.5684970466573721
Energy: 0.5716647242637152
Energy: 0.5625942497407528
Energy: 0.5868199325731472
Energy: 0.5991981290761967
Energy: 0.57699901343002
Energy: 0.5804378937673295
Energy: 0.5646845066161346
Energy: 0.5621945555221125
Energy: 0.5686531169201648
Energy: 0.5988546201477019
Energy: 0.5688519918560101
Energy: 0.575786286750466
Energy: 0.5677242365575865
Energy: 0.5621858783304063
Energy: 0.5683866923513334
Energy: 0.5773469589460052
Energy: 0.568430997262122
Energy: 0.5697703565308107
Energy: 0.5810056413424474
Energy: 0.5885494110395786
Energy: 0.5852209708569236
Energy: 0.5884861170934992
Energy: 0.567218633966443
Energy: 0.5644274379526344
Energy: 0.589981422799217
Energy: 0.5645586914707701
Energy: 0.5761173523834198
Energy: 0.597060825014077
Energy: 0.5653028824212791
Energy: 0.5661329513325564
Energy: 0.5908728334742159
Energy: 0.5646938375612325
Energy: 0.5668611146281555
Energy: 0.5964841185632422
Energy: 0.572956560647414
Energy: 0.5784738470053826
Energy: 0.5900976197228548
Energy: 0.572324202154604
Energy: 0.5882390577941832
Energy: 0.5674181316554912
Energy: 0.5653413648752496
Energy: 0.5706494362725782
Energy: 0.5691838013660578
Energy: 0.5648233365067702
Energy: 0.5758818272163084
Energy: 0.5646418303883869
Energy: 0.5681667576990217
Energy: 0.5801999595759755
Energy: 0.5654642158423416
Energy: 0.5697060995879527
Energy: 0.5771390662067046
Energy: 0.5703104308165929
Energy: 0.5521706804097227
Energy: 0.5420666853695408
Energy: 0.5692646201766831
Energy: 0.5456275807690155
Energy: 0.5428752131168699
Energy: 0.6022209246480342
Energy: 0.5483391785073508
Energy: 0.5538892256148588
Energy: 0.5698012897115065
Energy: 0.5459730849332752
Energy: 0.5828369031724261
Energy: 0.5701633221235725
Energy: 0.5723001711940185
Energy: 0.5652871201326004
Energy: 0.560426049220396
Energy: 0.5724575118745259
Energy: 0.5729759831819947
Energy: 0.5736003944605002
Energy: 0.5539826348454165
Energy: 0.5753439811560765
Energy: 0.5630952367035289
Energy: 0.552037933976866
Energy: 0.5761343043881932
Energy: 0.6000068747952558
Energy: 0.5674301111316166
Energy: 0.5807620566949311
Energy: 0.5697446954990683
Energy: 0.5653610465617238
Energy: 0.5836083783350179
Energy: 0.5996594522967492
Energy: 0.5627833998437363
Energy: 0.5746001496743319
Energy: 0.5666107505009902
Energy: 0.5633375322409355
Energy: 0.5713065987342458
Energy: 0.5648333728378201
Energy: 0.5648063201510651
Energy: 0.5466119592320344
Energy: 0.5438079087875745
Energy: 0.5644851315801089
Energy: 0.5487772478860178

minimum gb energy = 0.5412609327253002 eV
minimum distance =  2.63218165859368 Angstroms
sigma value = 33


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

Energy: 0.013475824383111647
Energy: 0.013938558069941402
Energy: 0.01394384881789876
Energy: 0.014841807573991781
Energy: 0.48537151668395345
Energy: 0.0138926726635489
Energy: 0.014620298849050695
Energy: 0.08097841139592271
Energy: 0.07973717395751223
Energy: 0.08154479936610462
Energy: 0.08108946009009982
Energy: 0.07951543385406531
Energy: 0.7012882905726532
Energy: 0.4831976773775398
Energy: 0.4819215552787697
Energy: 0.4868825792591056
Energy: 0.48542009679758424
Energy: 0.4818521270303537
Energy: 0.014620298849728371
Energy: 0.08097841139559354
Energy: 0.07973717395648604
Energy: 0.08154479936713081
Energy: 0.08108946009044835
Energy: 0.07951543385507215

minimum gb energy = 0.013475824383111647 eV
minimum distance =  2.84782263985986 Angstroms
sigma value = 1