Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.1529443860054025
cohesive_energy=3.0334434765357696
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.71130963686358e-20, 1.139753209541652e-19, 1.55652261081417e-19, 1.9319686723425598e-19, 2.2724632506002397e-19, 2.5823562551485196e-19, 2.8648840827880797e-19, 3.1225140855352796e-19, 3.3572650059489596e-19, 3.5707710641957994e-19, 3.76424991451764e-19, 3.93930373354848e-19, 4.09658941370826e-19, 4.2370682609773795e-19, 4.36157340720552e-19, 4.4707937883453e-19, 4.565370275050319e-19, 4.64586362914248e-19, 4.71281859067734e-19, 4.76668376911242e-19, 4.807923795671579e-19, 4.836939214513319e-19, 4.854082504497119e-19, 4.8597221662488e-19, 4.853569807974239e-19, 4.833446469451199e-19, 4.79646823273848e-19, 4.739366657502719e-19, 4.65783188859846e-19, 4.54684911316128e-19, 4.40023392938394e-19, 4.2103439547222594e-19, 3.9677263470356394e-19, 3.66063715159686e-19, 3.2742722563077597e-19, 2.7900143686812597e-19, 2.1840070786371e-19, 1.4254533469165318e-19, 4.7508542639684996e-20, -7.199797270803839e-20, -2.22923652501492e-19, -4.14665743352076e-19, -6.60114397150974e-19, -9.77249240084934e-19, -1.391665043882106e-18, -1.9406364479325e-18, -2.6780702872636798e-18, -3.69272874957588e-18, -5.1742935265683596e-18, -7.546796686195559e-18, -1.1555955320986439e-17, -1.8826376537816997e-17, -3.3316462015712997e-17, -6.63668024925186e-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: 0.008865165246085355
Energy: 0.06754779364391773
Energy: 0.34088986960044537
Energy: 0.009415688343805314
Energy: 0.06754779360955455
Energy: 0.47339844157113475
Energy: 0.009415688343805314
Energy: 0.4733984408251776
Energy: 0.34088986888746536
Energy: 0.009415688343805314
Energy: 0.008865165246085355
Energy: 0.06754779361047863
Energy: 0.009415688343343267
Energy: 0.47339844082285415
Energy: 0.06754779363369987
Energy: 0.4733984398437212

minimum gb energy = 0.008865165246085355 eV
minimum distance =  2.85276711058172 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.7260869207543537
Energy: 0.5506498708148834
Energy: 0.5428031100169788
Energy: 0.5195890149293606
Energy: 0.5188988091250866
Energy: 0.5675076709366409
Energy: 0.5214144055949936
Energy: 0.5675077883606889
Energy: 0.5413097902525077
Energy: 0.5525093464040528
Energy: 0.7910279305719031
Energy: 0.5525098679728829
Energy: 0.5461160110619434
Energy: 0.5196530510056749
Energy: 0.5260436049004028
Energy: 0.5256789092603575
Energy: 0.6771028204660132
Energy: 0.5210447412356239
Energy: 0.5175147508496551
Energy: 0.5210629140180839
Energy: 0.5518043295111946
Energy: 0.5576527442838637
Energy: 0.5253370138716873
Energy: 0.5576568724780087
Energy: 0.5326886314900325
Energy: 0.5506067488630738
Energy: 0.6760877491058547
Energy: 0.5506067488071916
Energy: 0.5408593918980347
Energy: 0.5463574033047521
Energy: 0.5806115767299719
Energy: 0.5485159500456108
Energy: 0.5907874222346275
Energy: 0.5501149688806031
Energy: 0.5681761774016848
Energy: 0.550114968885214
Energy: 0.5716931848569285
Energy: 0.5646746668714849
Energy: 0.5565292472781329
Energy: 0.5646742653209673
Energy: 0.5700408147728566
Energy: 0.5501586783899378
Energy: 0.5950117128097125
Energy: 0.550158678390514
Energy: 0.5432858610046934
Energy: 0.5510152646642245
Energy: 0.5765575800874113
Energy: 0.5510152180314126
Energy: 0.535096147980335
Energy: 0.561092010759086
Energy: 0.5220048137454119
Energy: 0.5610920107636971
Energy: 0.5416644606066522
Energy: 0.5450234472669435
Energy: 0.5514439532919032
Energy: 0.5450244192844409
Energy: 0.5208277913215537
Energy: 0.52584451934418
Energy: 0.5132410050686083
Energy: 0.525844321666728
Energy: 0.5642067355679159
Energy: 0.5566575624532984
Energy: 0.518919740820598
Energy: 0.5566575622798882
Energy: 0.5424111985406697
Energy: 0.5486587437691847
Energy: 0.5316145006734418
Energy: 0.548645022467316
Energy: 0.5255138198299245
Energy: 0.5226443579516493
Energy: 0.5214561491917304
Energy: 0.5226447976366674
Energy: 0.5263993370639073
Energy: 0.5511929844766573
Energy: 0.5432334184593733
Energy: 0.5511929627938427
Energy: 0.5969715831598562
Energy: 0.519241903415653
Energy: 0.5355502325262256
Energy: 0.5181369400447089
Energy: 0.5206770310261616
Energy: 0.542744777628659
Energy: 0.6749434474686923
Energy: 0.5427539200210111
Energy: 0.5268316881254217
Energy: 0.5178721920972541
Energy: 0.5490504490529896
Energy: 0.5194618717030068
Energy: 0.6757141447635894
Energy: 0.565353449838663
Energy: 0.5345740806859814
Energy: 0.5653534498380866
Energy: 0.5828439019446036
Energy: 0.5440949986201704
Energy: 0.5410097314296003
Energy: 0.5440943544525698
Energy: 0.5612431789396997
Energy: 0.5508235323227733
Energy: 0.5905731190795684
Energy: 0.5508235323227733
Energy: 0.5590339787550458
Energy: 0.5500138990666767
Energy: 0.572217210752299
Energy: 0.5500138924902884
Energy: 0.5924635899104311
Energy: 0.5492130113039979
Energy: 0.5736368122664207
Energy: 0.5492130113045743
Energy: 0.5724328964103932
Energy: 0.5538415574503015
Energy: 0.5448619244036726
Energy: 0.5538415574347655
Energy: 0.5185232967460188
Energy: 0.5460593609482297
Energy: 0.5326280909327642
Energy: 0.5460593610767089
Energy: 0.5163341719863588
Energy: 0.5476034476076422
Energy: 0.5506700295138798
Energy: 0.5476034541258428
Energy: 0.5126625916175913
Energy: 0.5213001165049286
Energy: 0.5237364656880701
Energy: 0.5213001636499281
Energy: 0.5232203669660008
Energy: 0.5185994123565613
Energy: 0.5514066825957976
Energy: 0.5185996613011432
Energy: 0.5332017274640868
Energy: 0.5329259023080916
Energy: 0.543499889238492
Energy: 0.5329258549113208

minimum gb energy = 0.5126625916175913 eV
minimum distance =  2.65794417237781 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.830161420057013
Energy: 0.5678596954878274
Energy: 0.5652842480493591
Energy: 0.5407608452334898
Energy: 0.5428321858719696
Energy: 0.5887236492633957
Energy: 0.5437059017036519
Energy: 0.5887236170186022
Energy: 0.5658202755366354
Energy: 0.5699483688987931
Energy: 0.7625790613393143
Energy: 0.5699483466786017
Energy: 0.5515475845115112
Energy: 0.5392183857536441
Energy: 0.5452637677338318
Energy: 0.5392162682376307
Energy: 0.7611536800190534
Energy: 0.5509557423843546
Energy: 0.5396191242403756
Energy: 0.5509557618496048
Energy: 0.5828722517399232
Energy: 0.5831952871821938
Energy: 0.5452174256076536
Energy: 0.5831953253145628
Energy: 0.5608467358059681
Energy: 0.5874660703511337
Energy: 0.6443540431162892
Energy: 0.5874660703531053
Energy: 0.570813425711692
Energy: 0.5705534250126093
Energy: 0.6045423238585469
Energy: 0.5665893131816988
Energy: 0.5788040753020531
Energy: 0.5777894347171533
Energy: 0.5908752301777213
Energy: 0.5777894347118959
Energy: 0.6018793161671891
Energy: 0.5944490873464252
Energy: 0.5682039211223717
Energy: 0.5944490873306831
Energy: 0.5379284638675796
Energy: 0.5732050266320783
Energy: 0.5680467265523854
Energy: 0.5732050267877675
Energy: 0.5554465663479499
Energy: 0.5683485044343658
Energy: 0.565670743452992
Energy: 0.56834846689321
Energy: 0.5346249565824865
Energy: 0.5428375049639729
Energy: 0.5472534558700792
Energy: 0.5428314927340214
Energy: 0.5511209990827443
Energy: 0.5440930648260631
Energy: 0.5421296478669309
Energy: 0.544093068406707
Energy: 0.5408713568275295
Energy: 0.568682890827387
Energy: 0.5640539382776975
Energy: 0.5686829085702874
Energy: 0.5386236309810932
Energy: 0.5384421175490903
Energy: 0.5455771048596787
Energy: 0.5389061582777176
Energy: 0.5660316256307882
Energy: 0.5667882691170373
Energy: 0.5395339073505802
Energy: 0.5667840792584055
Energy: 0.5450999321764433
Energy: 0.5362298454329727
Energy: 0.5933677131219127
Energy: 0.5369890337101091
Energy: 0.5495032720769101
Energy: 0.5700064461056115
Energy: 0.5457301563374051
Energy: 0.5700064451925353
Energy: 0.5668651391323563
Energy: 0.5376506204505868
Energy: 0.5424480317357493
Energy: 0.5376505758039426
Energy: 0.5603796598489061
Energy: 0.5852597597238594
Energy: 0.6426646331287108
Energy: 0.5852597597251737
Energy: 0.5668517690112618
Energy: 0.5730280365924845
Energy: 0.6072530641665816
Energy: 0.5730280338073434
Energy: 0.5721761819359222
Energy: 0.5780030850876057
Energy: 0.5810514209330553
Energy: 0.578003085084977
Energy: 0.5985209463709554
Energy: 0.5781488002217381
Energy: 0.5701649344428877
Energy: 0.5781487945601095
Energy: 0.5397803442637609
Energy: 0.5689049489736122
Energy: 0.5636468992189138
Energy: 0.5689049489709835
Energy: 0.5431937850763077
Energy: 0.5720985413164633
Energy: 0.5666078962106568
Energy: 0.572098541438637
Energy: 0.5343450304099757
Energy: 0.5408413889079501
Energy: 0.5428752462875323
Energy: 0.5408413679076133
Energy: 0.5627114382211057
Energy: 0.539120929664661
Energy: 0.5393206614912118
Energy: 0.5391209267776885
Energy: 0.5430182144768428
Energy: 0.5415211964103368
Energy: 0.5673681409247245
Energy: 0.5415250586784771

minimum gb energy = 0.5343450304099757 eV
minimum distance =  2.66146329169119 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.7958457923057588
Energy: 0.589599953081669
Energy: 0.5870777095697643
Energy: 0.5579256546346899
Energy: 0.5661421259501308
Energy: 0.610700958178829
Energy: 0.5698871343118632
Energy: 0.6107009574702021
Energy: 0.5876259150043766
Energy: 0.5928557004281688
Energy: 0.7237109148513373
Energy: 0.5928556691753735
Energy: 0.5663861031131721
Energy: 0.560492908847227
Energy: 0.5715802654974732
Energy: 0.5604934093728711
Energy: 0.5626918966400063
Energy: 0.5632603894528071
Energy: 0.5583785705091875
Energy: 0.5632603731498598
Energy: 0.5774293772518786
Energy: 0.5600306651699939
Energy: 0.5622657459725239
Energy: 0.5591133552551968
Energy: 0.5946044074008058
Energy: 0.6125564049833329
Energy: 0.60326152642769
Energy: 0.6125564049840968
Energy: 0.5789919982853372
Energy: 0.6002721182773081
Energy: 0.5677730645684961
Energy: 0.600269315040299
Energy: 0.6086913138544893
Energy: 0.6050886907735733
Energy: 0.5723701070942506
Energy: 0.6050886907628782
Energy: 0.5787783142093765
Energy: 0.5999742724159904
Energy: 0.5771165798111706
Energy: 0.5999742763134376
Energy: 0.5545233298761676
Energy: 0.5624844467552002
Energy: 0.5588424199769957
Energy: 0.5624876335253327
Energy: 0.5553988049234719
Energy: 0.563391619224637
Energy: 0.5701915291484034
Energy: 0.563392141345775
Energy: 0.5858240095762277
Energy: 0.5898105175273756
Energy: 0.5528241230144598
Energy: 0.5898104630289518
Energy: 0.5685695252791815
Energy: 0.5668530302511672
Energy: 0.5785727871219585
Energy: 0.5667686352848017
Energy: 0.5612930770352629
Energy: 0.5914450126109467
Energy: 0.5917433040413269
Energy: 0.5914450116640739
Energy: 0.5992924186607447
Energy: 0.5615764849055168
Energy: 0.5918454442164294
Energy: 0.5615662036719804
Energy: 0.5598915390978118
Energy: 0.5998302634770263
Energy: 0.5656230190553299
Energy: 0.5998302634800821
Energy: 0.5644331855272162
Energy: 0.5628549289572773
Energy: 0.5773648467459376
Energy: 0.562854940541139
Energy: 0.6066071016000578
Energy: 0.6153586905969363
Energy: 0.5930269347040202
Energy: 0.6153586905961723
Energy: 0.5654119508533849
Energy: 0.6003738326469583
Energy: 0.583325192993401
Energy: 0.6003738326461943
Energy: 0.5745385026140042
Energy: 0.6024015913932856
Energy: 0.6101113436302625
Energy: 0.6024015912741627
Energy: 0.5743716087963991
Energy: 0.6010802894981471
Energy: 0.576821068441655
Energy: 0.6010802902518292
Energy: 0.5577921450330179
Energy: 0.561502739134374
Energy: 0.5588017670569526
Energy: 0.5615031158515439
Energy: 0.5613442990297098
Energy: 0.5611191289515914
Energy: 0.5576342839103753
Energy: 0.5611191216454295
Energy: 0.5516409844906682
Energy: 0.5682964997273083
Energy: 0.5882569452880798
Energy: 0.5682962742838988

minimum gb energy = 0.5516409844906682 eV
minimum distance =  2.65064044313282 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.7393100860582883
Energy: 0.6110286637755812
Energy: 0.609247622870183
Energy: 0.5736734128379339
Energy: 0.5985788780819848
Energy: 0.6294017030592871
Energy: 0.5982355273192594
Energy: 0.6294017036595838
Energy: 0.6078133327124173
Energy: 0.6095256868325026
Energy: 0.5835712498517979
Energy: 0.6095256866822161
Energy: 0.5878928337234796
Energy: 0.6626947001828735
Energy: 0.5963329391288391
Energy: 0.6626947002921916
Energy: 0.6685641645553784
Energy: 0.5918229138429139
Energy: 0.5829561258926856
Energy: 0.5918229146345068
Energy: 0.5850656495186745
Energy: 0.5886936873369362
Energy: 0.5920076419983173
Energy: 0.5886959657933549
Energy: 0.6020087509654236
Energy: 0.6418110948522663
Energy: 0.6146902435464493
Energy: 0.6418110948522663
Energy: 0.5955272395133824
Energy: 0.6401720916734336
Energy: 0.6300894608245493
Energy: 0.6401720916706996
Energy: 0.5922941199857872
Energy: 0.5926792499959342
Energy: 0.5686943601184029
Energy: 0.592679247067316
Energy: 0.5975466550150307
Energy: 0.5935969422844379
Energy: 0.5678893820690346
Energy: 0.5935966774504456
Energy: 0.5646184000989705
Energy: 0.6118870402092077
Energy: 0.6070337012670427
Energy: 0.6118870400853291
Energy: 0.5987595124858467
Energy: 0.5921790551705227
Energy: 0.596998598811032
Energy: 0.5911770276399827
Energy: 0.611644205413912
Energy: 0.60988487172663
Energy: 0.582905840367796
Energy: 0.609884862458889
Energy: 0.622925822251242
Energy: 0.593964487579389
Energy: 0.6078440719384436
Energy: 0.5939644597579392
Energy: 0.5941289059675683
Energy: 0.6184024286684309
Energy: 0.5874433247548808
Energy: 0.6184024285882754
Energy: 0.5850281613197987
Energy: 0.6001899353053991
Energy: 0.5885161497402704
Energy: 0.6001899313301193
Energy: 0.595679854939361
Energy: 0.646829974182318
Energy: 0.6034718015245676
Energy: 0.646829974182318
Energy: 0.5958705734848888
Energy: 0.6395820869931809
Energy: 0.5953041691828118
Energy: 0.6395820870031848
Energy: 0.585404316057785
Energy: 0.593780027709492
Energy: 0.5690995186821732
Energy: 0.5937800265726504
Energy: 0.590841038843733
Energy: 0.5933715016662687
Energy: 0.56824427032792
Energy: 0.5933628117002192
Energy: 0.5691668767352657
Energy: 0.5995230876509932
Energy: 0.6096713452054083
Energy: 0.5995230879424943

minimum gb energy = 0.5646184000989705 eV
minimum distance =  2.65070269947865 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.6576651457473182
Energy: 0.6314975448753185
Energy: 0.6301623776179772
Energy: 0.5862711678552561
Energy: 0.6309793934350545
Energy: 0.622306952290455
Energy: 0.6000043756094232
Energy: 0.6223069522791846
Energy: 0.6280381636171998
Energy: 0.6305960151544785
Energy: 0.5804299172381475
Energy: 0.6305960143062052
Energy: 0.578357899635571
Energy: 0.6217605467305742
Energy: 0.597036499436553
Energy: 0.621760540106553
Energy: 0.6113561839754839
Energy: 0.6420484743115624
Energy: 0.6009471069308208
Energy: 0.6420484742980381
Energy: 0.5796893302940748
Energy: 0.635162945448892
Energy: 0.5920718810935847
Energy: 0.6351629652330982
Energy: 0.6446420906773219
Energy: 0.6393170223900531
Energy: 0.6128409919870732
Energy: 0.6393170223877989
Energy: 0.5791991518318348
Energy: 0.6407507878274413
Energy: 0.6002190520880848
Energy: 0.6407507869678979
Energy: 0.6265869613517163
Energy: 0.6302955854102323
Energy: 0.575568157209882
Energy: 0.6302960145073662
Energy: 0.5957628803369175
Energy: 0.6401892597103603
Energy: 0.5751052072115191
Energy: 0.6401892580228044
Energy: 0.5796121425139925
Energy: 0.6322017173218467
Energy: 0.6319840954886266
Energy: 0.6322008164668895
Energy: 0.6292189505900242
Energy: 0.6247946642265999
Energy: 0.6371184808059459
Energy: 0.6247946524779752
Energy: 0.595326410222122
Energy: 0.6524713013144768
Energy: 0.6166506428868125
Energy: 0.6524713013302297
Energy: 0.6005042164519031
Energy: 0.6402749123155395
Energy: 0.5807357414904456
Energy: 0.6402749118446437
Energy: 0.6150156346757664
Energy: 0.6411039631113318
Energy: 0.5806012134138585
Energy: 0.6411039631248562
Energy: 0.5927759406331893
Energy: 0.6388945057157681
Energy: 0.577780299825118
Energy: 0.6388945431831822
Energy: 0.5738495390589314
Energy: 0.6300971865080435
Energy: 0.6274801753316236
Energy: 0.6300979774402614

minimum gb energy = 0.5738495390589314 eV
minimum distance =  2.66069999941563 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.9360315230539317
Energy: 0.6765706084798281
Energy: 0.6713008701087094
Energy: 0.6407083187881262
Energy: 0.6366891467767684
Energy: 0.6399216261050379
Energy: 0.6794093116266203
Energy: 0.6364832670925705
Energy: 0.619234879607778
Energy: 0.6191987250265025
Energy: 0.6720823696285639
Energy: 0.6191987422586833
Energy: 0.6263087101453368
Energy: 0.6535361732588755
Energy: 0.6264615879450073
Energy: 0.6535361671856078
Energy: 0.6670586942303469
Energy: 0.6672737750692204
Energy: 0.620061082461057
Energy: 0.667273775074965
Energy: 0.6288517742048836
Energy: 0.6712478147036721
Energy: 0.6423335903077346
Energy: 0.6712478147209062
Energy: 0.6726951887631843
Energy: 0.6190976245333231
Energy: 0.6176128564854844
Energy: 0.6190979854356261
Energy: 0.6684475930936992
Energy: 0.6341716986140609
Energy: 0.6272138040618244
Energy: 0.6341720131728853
Energy: 0.6771244882907154
Energy: 0.6705903733452089
Energy: 0.6690347782346079
Energy: 0.6705903708977974
Energy: 0.6814638205986415
Energy: 0.6575977969172325
Energy: 0.6653468254642856
Energy: 0.6575978852881006
Energy: 0.6919793573984996
Energy: 0.6190499108060886
Energy: 0.600160120931758
Energy: 0.6190709228471716
Energy: 0.6689110995962323
Energy: 0.6217489378990659
Energy: 0.6071227652851675
Energy: 0.6217489493010548
Energy: 0.6777966610923557
Energy: 0.6226434089074212
Energy: 0.615823277098473
Energy: 0.6226434522497062
Energy: 0.6821318627624016
Energy: 0.6361784363309531
Energy: 0.6003225704160996
Energy: 0.6361706334762585
Energy: 0.6783390430343137
Energy: 0.6757822947463027
Energy: 0.6684055611630697
Energy: 0.6757822830451258
Energy: 0.677717108584103
Energy: 0.6691106986998163
Energy: 0.6679722886231713
Energy: 0.6691107826537152
Energy: 0.6727296546671679
Energy: 0.6354554075922328
Energy: 0.6208499348799483
Energy: 0.6354556053750817
Energy: 0.676057816598609
Energy: 0.639420196875248
Energy: 0.616461113166997
Energy: 0.6394199652750403
Energy: 0.6321477907243847
Energy: 0.6744007034296124
Energy: 0.6524690241234423
Energy: 0.6744007034251444
Energy: 0.6360455943525776
Energy: 0.6659121004137168
Energy: 0.6465132072045207
Energy: 0.6659121008092881
Energy: 0.6196321623791747
Energy: 0.6338558341414932
Energy: 0.6711189544382689
Energy: 0.6341806662991548
Energy: 0.6200186208165291
Energy: 0.6203390365839091
Energy: 0.6638706012046333
Energy: 0.6203406672567874
Energy: 0.6324982409875731
Energy: 0.6548349757839801
Energy: 0.6523677683596203
Energy: 0.6548349603471887
Energy: 0.6728941031913048
Energy: 0.6740702695326628
Energy: 0.670366735266757
Energy: 0.6740702691900705
Energy: 0.6082862248672608
Energy: 0.6356177519737487
Energy: 0.6743635993194182
Energy: 0.6356183052964078
Energy: 0.6122921094658441
Energy: 0.6253170794408077
Energy: 0.6659539381167636
Energy: 0.6253170691304837
Energy: 0.5998897250402702
Energy: 0.6011986673134315
Energy: 0.6635999563126523
Energy: 0.6011961217367022
Energy: 0.6094306894485557
Energy: 0.6216944767866486
Energy: 0.6732089542769342
Energy: 0.621699248820754
Energy: 0.6054590483754827
Energy: 0.632598189410845
Energy: 0.6578252452891421
Energy: 0.6325975798752157
Energy: 0.6714885077660915
Energy: 0.6754829454548495
Energy: 0.6696241396670488
Energy: 0.6754829571528639

minimum gb energy = 0.5998897250402702 eV
minimum distance =  2.67974590573087 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.8442460180100251
Energy: 0.6249710259314665
Energy: 0.6232098806470235
Energy: 0.5719492114049742
Energy: 0.6398805147959475
Energy: 0.5916834713609237
Energy: 0.64162776291244
Energy: 0.5916834718002464
Energy: 0.619120123609831
Energy: 0.6252855951417404
Energy: 0.6913560134701442
Energy: 0.6252855828526954
Energy: 0.6396193061702137
Energy: 0.588701377991973
Energy: 0.6686567664685281
Energy: 0.5887013779881656
Energy: 0.6827421348780429
Energy: 0.596896721265102
Energy: 0.5509039302110706
Energy: 0.5968967212618626
Energy: 0.6657154505261267
Energy: 0.5908180001533638
Energy: 0.5481167532000798
Energy: 0.5908180001498404
Energy: 0.7978945413501601
Energy: 0.6272714927335629
Energy: 0.6245730492237519
Energy: 0.6272712145337266
Energy: 0.7064845901196065
Energy: 0.5909434910274318
Energy: 0.6289123992149616
Energy: 0.5909434915460727
Energy: 0.6202787650685156
Energy: 0.6270731233113462
Energy: 0.6854954995575374
Energy: 0.6270787808318176
Energy: 0.6302266981162843
Energy: 0.5892109898785891
Energy: 0.6802356624766523
Energy: 0.5892109898762344
Energy: 0.686646811820101
Energy: 0.593284492959251
Energy: 0.548614515640551
Energy: 0.593284492955427
Energy: 0.6697648985174315
Energy: 0.5881921159681225
Energy: 0.5522019963969109
Energy: 0.5881921159897137
Energy: 0.7663182637685162
Energy: 0.5893984093904311
Energy: 0.6289519107110906
Energy: 0.589398409414811

minimum gb energy = 0.5481167532000798 eV
minimum distance =  2.70414003884202 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.8256594650231665
Energy: 0.6979174488489915
Energy: 0.6922752769682856
Energy: 0.6724096598962342
Energy: 0.6130658590116929
Energy: 0.6148668703531243
Energy: 0.7264856782397973
Energy: 0.6147470636396589
Energy: 0.6036159972098402
Energy: 0.6148608028830306
Energy: 0.7522531047965463
Energy: 0.6148652765862094
Energy: 0.6022856309057476
Energy: 0.6233997335724082
Energy: 0.8067465337023972
Energy: 0.623406710470416
Energy: 0.603401969464053
Energy: 0.6201648068271243
Energy: 0.801732185708322
Energy: 0.6201649338496917
Energy: 0.6131529302172241
Energy: 0.6141265647961226
Energy: 0.7954827094580655
Energy: 0.6113221654727579
Energy: 0.7568308748521624
Energy: 0.6956872567914906
Energy: 0.7031230714350768
Energy: 0.6956886153899473
Energy: 0.7450621818860047
Energy: 0.6105864994809787
Energy: 0.6971444544241339
Energy: 0.614843949518382
Energy: 0.6411257174346523
Energy: 0.6664475077317928
Energy: 0.6517957278023675
Energy: 0.6664473197698852
Energy: 0.6097905405766526
Energy: 0.6160997282888873
Energy: 0.7332990992174627
Energy: 0.6156424022299769
Energy: 0.6364154085391248
Energy: 0.6332683157833012
Energy: 0.6975840017200344
Energy: 0.6332544007908658
Energy: 0.6372353262915296
Energy: 0.6361912157477354
Energy: 0.8107734697585689
Energy: 0.6361785595036681
Energy: 0.7671238995165112
Energy: 0.6341085317889579
Energy: 0.6559931920732973
Energy: 0.6338865808511555
Energy: 0.7670296807810552
Energy: 0.6369718823377419
Energy: 0.6278034437991362
Energy: 0.6369715589812976
Energy: 0.7310053806253689
Energy: 0.6400399798926851
Energy: 0.6441158181401595
Energy: 0.6400387790952768
Energy: 0.6921995978660143
Energy: 0.6664109800811377
Energy: 0.6457443057261837
Energy: 0.6664109796641821
Energy: 0.722294458716459
Energy: 0.6136814209253093
Energy: 0.6347302509893674
Energy: 0.6137258881156546
Energy: 0.6928789269365545
Energy: 0.6960166526468244
Energy: 0.8240763253786585
Energy: 0.6960356237318873
Energy: 0.7263007827458697
Energy: 0.6127292889997354
Energy: 0.6423486668200141
Energy: 0.6130453591502202
Energy: 0.7688921042914454
Energy: 0.6096210251419445
Energy: 0.6038874874200238
Energy: 0.6096210409677202
Energy: 0.7669815953690748
Energy: 0.6227574401357734
Energy: 0.6036997679994733
Energy: 0.6227575614496126
Energy: 0.7986217368731786
Energy: 0.6163618746781678
Energy: 0.6071831252985708
Energy: 0.6161526435125518
Energy: 0.8022048012730464
Energy: 0.6176510872942048
Energy: 0.6106825801939777
Energy: 0.6162611797159514
Energy: 0.7058864063532212
Energy: 0.6942966329427617
Energy: 0.7056954147784144
Energy: 0.6942972422323553
Energy: 0.6963390745620491
Energy: 0.6089861288932127
Energy: 0.7442739634373048
Energy: 0.6127487647550479
Energy: 0.6480701172643386
Energy: 0.6147413957355304
Energy: 0.6416459073688248
Energy: 0.6167683575636054
Energy: 0.7351706063018189
Energy: 0.6701135089591986
Energy: 0.6111436510416185
Energy: 0.6701135016587161
Energy: 0.7311812649476892
Energy: 0.6354206223751527
Energy: 0.6399852711134247
Energy: 0.6354208330506892
Energy: 0.8087758382406413
Energy: 0.641205123226968
Energy: 0.6378116292149522
Energy: 0.6412025766054578
Energy: 0.6638457931292082
Energy: 0.6339793416311893
Energy: 0.7659313757049062
Energy: 0.6339760343704045
Energy: 0.6292191182103125
Energy: 0.6348636733066323
Energy: 0.7509887851407447
Energy: 0.6348633934904899
Energy: 0.6437391775171344
Energy: 0.6382615499151011
Energy: 0.7318318441828127
Energy: 0.638260630257582
Energy: 0.647681940504677
Energy: 0.6715300426419735
Energy: 0.6917674742558411
Energy: 0.6715300426213062
Energy: 0.6368797009054766
Energy: 0.6108258386944638
Energy: 0.6817245194287728
Energy: 0.6163469614321365
Energy: 0.808562071952288
Energy: 0.6989080498681036
Energy: 0.6917793838652626
Energy: 0.6989117199956809

minimum gb energy = 0.6022856309057476 eV
minimum distance =  2.67220376382178 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.7828737703521713
Energy: 0.6670561499028809
Energy: 0.6661766806519818
Energy: 0.6148757323198119
Energy: 0.6222853113902375
Energy: 0.6416927835398779
Energy: 0.7020167354282796
Energy: 0.6416927843506555
Energy: 0.6031728860103639
Energy: 0.6078542043522338
Energy: 0.6903323870059291
Energy: 0.6078540859607585
Energy: 0.6003378348336659
Energy: 0.6093062215172037
Energy: 0.7629682545407624
Energy: 0.6094316794230438
Energy: 0.6051354668658602
Energy: 0.6120569250879163
Energy: 0.7662756659608756
Energy: 0.6120569426281451
Energy: 0.6162756378885964
Energy: 0.6366893219099845
Energy: 0.7652119837802694
Energy: 0.6366893216382873
Energy: 0.7160727752956974
Energy: 0.6652151837958417
Energy: 0.6684642433392216
Energy: 0.6652151844358426
Energy: 0.6785398841927545
Energy: 0.649104802380739
Energy: 0.6699978685158609
Energy: 0.6491048022470477
Energy: 0.6782136953361946
Energy: 0.6465448282204534
Energy: 0.690164117818721
Energy: 0.646544828223905
Energy: 0.611106325564088
Energy: 0.6459534034871852
Energy: 0.687041279794152
Energy: 0.6459534036018927
Energy: 0.6736848764171369
Energy: 0.6460672680416927
Energy: 0.6062062421772175
Energy: 0.6460672680580879
Energy: 0.6695493038730758
Energy: 0.6646942606087092
Energy: 0.775091062379187
Energy: 0.6646942497995897
Energy: 0.6806303651802557
Energy: 0.6386147628190955
Energy: 0.6147570543159088
Energy: 0.6386144016898416
Energy: 0.6837216699546274
Energy: 0.6089513039015266
Energy: 0.6030168382349823
Energy: 0.6089513027655906
Energy: 0.757611237857108
Energy: 0.6351431552549482
Energy: 0.6000230634780671
Energy: 0.6351431584083165
Energy: 0.7698450347129981
Energy: 0.6068515077381026
Energy: 0.6036493851984714
Energy: 0.6068515067626082
Energy: 0.7596927410180463
Energy: 0.6374931895500946
Energy: 0.6142480932254009
Energy: 0.6374931442754548
Energy: 0.6672917421824157
Energy: 0.6675132090528161
Energy: 0.7136156175524427
Energy: 0.6675132075520284
Energy: 0.6739332916004048
Energy: 0.6443081279676809
Energy: 0.6825369864967678
Energy: 0.6443081279926854
Energy: 0.7011304510493511
Energy: 0.6468868904420666
Energy: 0.681339453978625
Energy: 0.646886890390312
Energy: 0.6865617663243657
Energy: 0.6461028627310914
Energy: 0.6004125102157991
Energy: 0.6461028624223086
Energy: 0.7626641385229128
Energy: 0.6480892123517181
Energy: 0.6703577419178829
Energy: 0.6480892137300126

minimum gb energy = 0.6000230634780671 eV
minimum distance =  2.66871217586861 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.9222856023934632
Energy: 0.6751150313681865
Energy: 0.6792100512379678
Energy: 0.6367596089829858
Energy: 0.6350430330834054
Energy: 0.6524942681716253
Energy: 0.7263766260617898
Energy: 0.652494328775051
Energy: 0.6151587839535072
Energy: 0.6170852204107028
Energy: 0.6840700355311673
Energy: 0.6192553688852638
Energy: 0.6111873151165755
Energy: 0.6467659328335832
Energy: 0.6970338849331181
Energy: 0.6467659328329731
Energy: 0.6185026112841112
Energy: 0.6212247518317665
Energy: 0.737863524687859
Energy: 0.621227024346338
Energy: 0.6420812403258155
Energy: 0.6575496504753444
Energy: 0.7363737170303755
Energy: 0.6575496504399548
Energy: 0.7043819694101748
Energy: 0.622667956859281
Energy: 0.6339425103225432
Energy: 0.6226679572788811
Energy: 0.723238561352102
Energy: 0.651063833230832
Energy: 0.6180269996515524
Energy: 0.651063833172894
Energy: 0.7210521148423552
Energy: 0.6453500422061945
Energy: 0.6147256825535818
Energy: 0.645350041237667
Energy: 0.7544569348145251
Energy: 0.6433896400631668
Energy: 0.6184072414249873
Energy: 0.6433896400113304
Energy: 0.6979468493052781
Energy: 0.6524960333407567
Energy: 0.6366917828791971
Energy: 0.6524952669899822
Energy: 0.6767854829931461
Energy: 0.6902433619140126
Energy: 0.7189797665758517
Energy: 0.6902433894794224
Energy: 0.6787737617887121
Energy: 0.6559021618544694
Energy: 0.6932378635983439
Energy: 0.6559021602650703
Energy: 0.6832646202929864
Energy: 0.6541218135481635
Energy: 0.6192565486270495
Energy: 0.6541218135908752
Energy: 0.6904016789905665
Energy: 0.6601330027445451
Energy: 0.6167493487885632
Energy: 0.6601330027341723
Energy: 0.6462965263586266
Energy: 0.6802604530180844
Energy: 0.6784263244384202
Energy: 0.6799081402469267
Energy: 0.6370429273457131
Energy: 0.6561435293457042
Energy: 0.6965500480648958
Energy: 0.6561435325903446
Energy: 0.6174499999848658
Energy: 0.6429037500389015
Energy: 0.6886408577470481
Energy: 0.6429037427049014
Energy: 0.6140560309535574
Energy: 0.6453321172770664
Energy: 0.7273318615700196
Energy: 0.6453321173398858
Energy: 0.619862212877674
Energy: 0.6559763933390864
Energy: 0.6661783245054719
Energy: 0.6559763933451879
Energy: 0.632732480396497
Energy: 0.6239279608758962
Energy: 0.742898900884149
Energy: 0.623927559208807
Energy: 0.7051530641483552
Energy: 0.6589010554031532
Energy: 0.6247848836248314
Energy: 0.6589010554726844
Energy: 0.7076817698401481
Energy: 0.6243860236759714
Energy: 0.6181681178393637
Energy: 0.6244152453921974
Energy: 0.7416398993955331
Energy: 0.6458741545797209
Energy: 0.6107324494435188
Energy: 0.6458741545986082
Energy: 0.7485026860784102
Energy: 0.6502068245275472
Energy: 0.6177118535916509
Energy: 0.6502068245287674
Energy: 0.737532868047715
Energy: 0.6503441732470284
Energy: 0.6297525975644644
Energy: 0.6503456648001809
Energy: 0.679255402506707
Energy: 0.6810429879455538
Energy: 0.8335501583398405
Energy: 0.6810433166832557
Energy: 0.6787376394013209
Energy: 0.6576491815663954
Energy: 0.6325300268693477
Energy: 0.6576491802038951
Energy: 0.6869133603111854
Energy: 0.6597509524097805
Energy: 0.6798191587660807
Energy: 0.6597509518303725
Energy: 0.6893394432851468
Energy: 0.6892355842534146
Energy: 0.6192089906428662
Energy: 0.6892355842491434
Energy: 0.6463600742031345
Energy: 0.6870405578569166
Energy: 0.6788924336730536
Energy: 0.6870405938565669

minimum gb energy = 0.6107324494435188 eV
minimum distance =  2.65458307953252 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5669485565462473
Energy: 0.6492630312819216
Energy: 0.6138077154781013
Energy: 0.5999195577093703
Energy: 0.6062078209771748
Energy: 0.6065186499337882
Energy: 0.6054881438746259
Energy: 0.6065186499948575
Energy: 0.6056398025244014
Energy: 0.6221776830400599
Energy: 0.5749955458953157
Energy: 0.6221776880287303
Energy: 0.5884144707332938
Energy: 0.5969955911906901
Energy: 0.5907139860395413
Energy: 0.596995591216053
Energy: 0.5737502753485383
Energy: 0.6125886967484384
Energy: 0.5678041669113185
Energy: 0.6125886963292659
Energy: 0.587739339728031
Energy: 0.6189324941359995
Energy: 0.5685543987784181
Energy: 0.6189324941366134
Energy: 0.5677678386960134
Energy: 0.6284667097582866
Energy: 0.6072052976610487
Energy: 0.6284667098012902
Energy: 0.6023844012519229
Energy: 0.6042387592012354
Energy: 0.5768966133433056
Energy: 0.6042387591968665
Energy: 0.5765066870280152
Energy: 0.6023700267553057
Energy: 0.5801869406603016
Energy: 0.6023700267519759

minimum gb energy = 0.5669485565462473 eV
minimum distance =  2.72662886175712 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.7526586659193258
Energy: 0.6641269728540294
Energy: 0.6479956002203394
Energy: 0.6057842592025938
Energy: 0.6939439781057407
Energy: 0.5906862453433733
Energy: 0.6733157474240178
Energy: 0.5906865070645684
Energy: 0.6725876655852537
Energy: 0.6372167161668655
Energy: 0.6759461263126116
Energy: 0.6372167154329041
Energy: 0.6022922895877482
Energy: 0.6364369787663495
Energy: 0.6668054716443096
Energy: 0.6364363666874407
Energy: 0.6365628170307812
Energy: 0.602606904533057
Energy: 0.6693330280831629
Energy: 0.6022361743288365
Energy: 0.5997283292896524
Energy: 0.5969965293387355
Energy: 0.6706228013036949
Energy: 0.5970196735062292
Energy: 0.5847562473504575
Energy: 0.6099925180715046
Energy: 0.6757307092447682
Energy: 0.609992518232811
Energy: 0.5952240633519521
Energy: 0.5912331593189
Energy: 0.7475002840545195
Energy: 0.5912241353749457
Energy: 0.594998957452469
Energy: 0.6018340082435056
Energy: 0.7274295265942293
Energy: 0.6018340561195848
Energy: 0.6761953026897228
Energy: 0.5723719975749159
Energy: 0.5908761507103685
Energy: 0.5743436506566251
Energy: 0.6487404795307998
Energy: 0.5746457290258832
Energy: 0.5715681505761718
Energy: 0.5746457081438633
Energy: 0.7327254826608884
Energy: 0.576012127522514
Energy: 0.5660081630583754
Energy: 0.5760133230258926
Energy: 0.7429212007967345
Energy: 0.5756954074985616
Energy: 0.5785766987854115
Energy: 0.5756955262419323
Energy: 0.6060125717854847
Energy: 0.5983640042335678
Energy: 0.6723026105671545
Energy: 0.5983640028589655
Energy: 0.5847163729639533
Energy: 0.597796631495959
Energy: 0.6720544400628223
Energy: 0.5977966301893164
Energy: 0.5908271149564821
Energy: 0.5902283456895941
Energy: 0.6955356139861293
Energy: 0.5902374049104595
Energy: 0.6194569410800764
Energy: 0.5993935470191856
Energy: 0.6034052592655266
Energy: 0.5990022766454971
Energy: 0.6611557232452171
Energy: 0.5907168214016347
Energy: 0.5730839655414006
Energy: 0.5907143276002267
Energy: 0.6778178408366743
Energy: 0.6370795668468302
Energy: 0.6753801106757958
Energy: 0.6370795665754623
Energy: 0.6770878800840088
Energy: 0.6415720550866588
Energy: 0.6016999925057923
Energy: 0.6415720794369376
Energy: 0.6715410824708752
Energy: 0.5963787696384161
Energy: 0.6676478847617574
Energy: 0.5963784998210363
Energy: 0.6697293528502835
Energy: 0.6044218667156466
Energy: 0.6013842492529391
Energy: 0.6044225296416913
Energy: 0.6700592604497666
Energy: 0.5890231697263915
Energy: 0.5849338844027782
Energy: 0.5890307325806005
Energy: 0.7452686147372992
Energy: 0.5917540043353097
Energy: 0.5933755427288835
Energy: 0.5917539493919803
Energy: 0.731064932681266
Energy: 0.6023628792074147
Energy: 0.6311859946774256
Energy: 0.6023628881585996
Energy: 0.572006223739191
Energy: 0.5760677104593999
Energy: 0.6764049983862244
Energy: 0.5760481909192252
Energy: 0.5768903774449419
Energy: 0.5785041143781663
Energy: 0.5960130160532919
Energy: 0.5785041103551463
Energy: 0.5811855725099357
Energy: 0.576661258983621
Energy: 0.6139284365404981
Energy: 0.5766607141430148
Energy: 0.5752528712323199
Energy: 0.5773945921063074
Energy: 0.7475836767419316
Energy: 0.5790081334689408
Energy: 0.6722996479976759
Energy: 0.6024328533064004
Energy: 0.6637587341317522
Energy: 0.6024328538295132
Energy: 0.6708326436947235
Energy: 0.5932626736979093
Energy: 0.5871062948973353
Energy: 0.5932631548214723
Energy: 0.6927688546581986
Energy: 0.5910404959767731
Energy: 0.5874421635996997
Energy: 0.591040579829771
Energy: 0.60312270077695
Energy: 0.5979408692429145
Energy: 0.6226116053481402
Energy: 0.5979381395016774

minimum gb energy = 0.5660081630583754 eV
minimum distance =  2.65432201444917 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.7881772967229675
Energy: 0.6357245679403333
Energy: 0.6335624123085777
Energy: 0.5578490421393809
Energy: 0.5783125626390049
Energy: 0.5686091157502912
Energy: 0.6661823301558515
Energy: 0.5686090520158928
Energy: 0.6608760760875046
Energy: 0.6219585032985999
Energy: 0.6735170393959977
Energy: 0.6219585033001939
Energy: 0.5777583371185828
Energy: 0.6234386391970956
Energy: 0.5890675772664096
Energy: 0.6234386391962988
Energy: 0.5892877289046462
Energy: 0.5774090815037324
Energy: 0.6511056986294299
Energy: 0.57740908149656
Energy: 0.5724421709477823
Energy: 0.5692987162628693
Energy: 0.6581830224379791
Energy: 0.5692987279694166
Energy: 0.5580471831649276
Energy: 0.5663671029348922
Energy: 0.5875452162096674
Energy: 0.5663671040779857
Energy: 0.5708523572989146
Energy: 0.5657374760205566
Energy: 0.7829758607326368
Energy: 0.5657374752574196
Energy: 0.5887265338386607
Energy: 0.5875030540537809
Energy: 0.557911388803232
Energy: 0.5875030539550153
Energy: 0.6820866791215563
Energy: 0.5667669626832997
Energy: 0.5695000815717894
Energy: 0.5667669276242068
Energy: 0.5869371699458859
Energy: 0.5616712027791728
Energy: 0.5603396374289439
Energy: 0.5616711874322481
Energy: 0.5382576409899572
Energy: 0.5671803608462923
Energy: 0.5751938203023924
Energy: 0.5671787434503095
Energy: 0.5425087571203269
Energy: 0.5685005880445645
Energy: 0.5868128418351554
Energy: 0.5685005923357475
Energy: 0.5865544249944362
Energy: 0.6229873115018569
Energy: 0.6768470094940217
Energy: 0.6229873121630225
Energy: 0.5807542245753171
Energy: 0.622052144851361
Energy: 0.6600118892147102
Energy: 0.6220521449071282
Energy: 0.5850687286084812
Energy: 0.5689399728566583
Energy: 0.5828303843733915
Energy: 0.5689399712197012
Energy: 0.58702608043157
Energy: 0.5746079858771752
Energy: 0.6660453989208409
Energy: 0.5746079878455304
Energy: 0.565366325582126
Energy: 0.5683226052670215
Energy: 0.5747054777003097
Energy: 0.5683226080239974
Energy: 0.5584446281387794
Energy: 0.5640535039051462
Energy: 0.5596207175578921
Energy: 0.5640535060073136
Energy: 0.5759099262115995
Energy: 0.5745925187836995
Energy: 0.785530893378156
Energy: 0.57458373855023
Energy: 0.6680395631031114
Energy: 0.5888570357510567
Energy: 0.5940558469590321
Energy: 0.588857036429755
Energy: 0.6626895859731797
Energy: 0.5638874240136333
Energy: 0.5616178154622764
Energy: 0.5638873734236145
Energy: 0.5807527124515385
Energy: 0.5618598366054747
Energy: 0.5596617778982164
Energy: 0.561859836881884
Energy: 0.7744120921538986
Energy: 0.5655550132811636
Energy: 0.5786356685448386
Energy: 0.5655550227995105

minimum gb energy = 0.5382576409899572 eV
minimum distance =  2.65967965234688 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.8323935586697494
Energy: 0.6500153298342343
Energy: 0.6542458978723773
Energy: 0.5569168956083378
Energy: 0.5701627181892067
Energy: 0.5695321535116994
Energy: 0.6361526765823973
Energy: 0.5695172691477107
Energy: 0.6927130182301028
Energy: 0.6433940628209599
Energy: 0.6332346335858102
Energy: 0.6433940627091914
Energy: 0.6945833475835791
Energy: 0.5884142564814919
Energy: 0.6561315410963477
Energy: 0.588707148583365
Energy: 0.6355967556718302
Energy: 0.5589302038083691
Energy: 0.6444083336034074
Energy: 0.5513105990467857
Energy: 0.5537156492652164
Energy: 0.563917624549814
Energy: 0.6453145898241629
Energy: 0.5639201128677954
Energy: 0.5448477871396261
Energy: 0.5491652809427154
Energy: 0.602597229229397
Energy: 0.549201047346336
Energy: 0.5496291874594587
Energy: 0.5771625377668371
Energy: 0.5772703563817342
Energy: 0.5771625335670609
Energy: 0.6397410544466432
Energy: 0.5480335169141303
Energy: 0.6914030575274089
Energy: 0.5492343285687429
Energy: 0.6315222106474789
Energy: 0.6545655950531659
Energy: 0.638393862515916
Energy: 0.6545655951845923
Energy: 0.6369201345463705
Energy: 0.6435714914574177
Energy: 0.5677650343916526
Energy: 0.6435714932239934
Energy: 0.6389072369686059
Energy: 0.5691067032521738
Energy: 0.6475740397313706
Energy: 0.5691884701486427
Energy: 0.6087657612219758
Energy: 0.5709441781843367
Energy: 0.5750643754069602
Energy: 0.5764192270727407
Energy: 0.5822968517797983
Energy: 0.5787268979034084
Energy: 0.557919390819014
Energy: 0.5787268966819272
Energy: 0.692250415554857
Energy: 0.5676153469331151
Energy: 0.5634739567960668
Energy: 0.5676188463034509
Energy: 0.5939804070661233
Energy: 0.5738395889099099
Energy: 0.5960295927927681
Energy: 0.5667332009911228
Energy: 0.5790174294970029
Energy: 0.5774008155917896
Energy: 0.7627349360942206
Energy: 0.5774460811077597
Energy: 0.5597165842667324
Energy: 0.5716564242538252
Energy: 0.6412856220800647
Energy: 0.5716564273521728
Energy: 0.5743337455622639
Energy: 0.5773309662149086
Energy: 0.7049323126406456
Energy: 0.5773305860531435
Energy: 0.5811630675917483
Energy: 0.6508816546441457
Energy: 0.8271807869668419
Energy: 0.6508819588850216
Energy: 0.6350094314785167
Energy: 0.5660478894886587
Energy: 0.5774970563966475
Energy: 0.5667279677467206
Energy: 0.6337662298795075
Energy: 0.6447898337847395
Energy: 0.6919984984113067
Energy: 0.6447898337724254
Energy: 0.6583038330904668
Energy: 0.5898806579218333
Energy: 0.6926765060307328
Energy: 0.5898806578110501
Energy: 0.7543431220389276
Energy: 0.550872499333571
Energy: 0.6358394575760505
Energy: 0.5508939969630364
Energy: 0.643787390686727
Energy: 0.5543053031452089
Energy: 0.5521540666693027
Energy: 0.554304202610157
Energy: 0.6485943910694973
Energy: 0.5502436653894215
Energy: 0.547703359490937
Energy: 0.5502595089125625
Energy: 0.830587428972349
Energy: 0.5583223704903371
Energy: 0.5524399107595596
Energy: 0.5543155730307578
Energy: 0.7066447578864345
Energy: 0.5533180866276858
Energy: 0.6425369288792363
Energy: 0.5533128749663965
Energy: 0.639705065730719
Energy: 0.6498216805245706
Energy: 0.6315943738647857
Energy: 0.649821680551617
Energy: 0.5695329660986195
Energy: 0.6477370647089357
Energy: 0.6347450321053535
Energy: 0.6477370680766288
Energy: 0.650803352899703
Energy: 0.5754260555136913
Energy: 0.6378658297055834
Energy: 0.5772757873009974
Energy: 0.5737287320468033
Energy: 0.5809817607185561
Energy: 0.6411210707557012
Energy: 0.5810414951357294
Energy: 0.5578347168671802
Energy: 0.5648673716619844
Energy: 0.5875263073687685
Energy: 0.5648673874127239
Energy: 0.566985413211664
Energy: 0.5657053896526374
Energy: 0.6926985033437029
Energy: 0.5650327296973249
Energy: 0.6042080232279126
Energy: 0.5759832721825219
Energy: 0.5939282650024218
Energy: 0.5759842270045608
Energy: 0.764401438705506
Energy: 0.5734627198241408
Energy: 0.5740603148167633
Energy: 0.5677899070656905
Energy: 0.639020198144414
Energy: 0.5837498960647658
Energy: 0.5582815431702549
Energy: 0.5837498961671754
Energy: 0.6937776610839486
Energy: 0.5634184767026845
Energy: 0.5785518284429648
Energy: 0.5630855836215595

minimum gb energy = 0.5448477871396261 eV
minimum distance =  2.653241427621 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.8567448310610427
Energy: 0.5182907285948835
Energy: 0.6209930261479267
Energy: 0.532814289679066
Energy: 0.5277997151433937
Energy: 0.5619003392895527
Energy: 0.5273889068913793
Energy: 0.5619003392719046
Energy: 0.5160216669000169
Energy: 0.563252932303946
Energy: 0.5301898018742542
Energy: 0.5632529322954369
Energy: 0.5100346019224868
Energy: 0.5640301875790497
Energy: 0.5207928692488477
Energy: 0.5640301875799577
Energy: 0.5279588951891149
Energy: 0.5258966633472496
Energy: 0.5566975035433935
Energy: 0.5258966604478135
Energy: 0.5242692636611705
Energy: 0.5224789818628979
Energy: 0.5599388773060271
Energy: 0.5224789788357812
Energy: 0.5108260452865112
Energy: 0.518589223890462
Energy: 0.5308411752924804
Energy: 0.5185892244803434
Energy: 0.5235935007834263
Energy: 0.5173910045173346
Energy: 0.5229631211429135
Energy: 0.5173910317337629
Energy: 0.5531919728803709
Energy: 0.5198691213638953
Energy: 0.5119871046455249
Energy: 0.5198691472660554
Energy: 0.5308221800280423
Energy: 0.5636016972834621
Energy: 0.5253358056460546
Energy: 0.563601697283711
Energy: 0.5362432584595607
Energy: 0.5691956939297775
Energy: 0.5083730220554744
Energy: 0.5691956938952578
Energy: 0.5564335992444368
Energy: 0.5185041072412682
Energy: 0.5252128638033929
Energy: 0.5185040580905869
Energy: 0.5619984815525425
Energy: 0.5286275372511534
Energy: 0.516962658039643
Energy: 0.5286275375095753
Energy: 0.5368299129739934
Energy: 0.5154125747953447
Energy: 0.5115718878806484
Energy: 0.5154125748594925
Energy: 0.5170145221379534
Energy: 0.5174950277981258
Energy: 0.5151816799958928
Energy: 0.5174950306290352

minimum gb energy = 0.5083730220554744 eV
minimum distance =  2.67510219814101 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.763520009563254
Energy: 0.6123032195811583
Energy: 0.6089429264735499
Energy: 0.5185818235069944
Energy: 0.5678320213088731
Energy: 0.5018140945468402
Energy: 0.5710741597767217
Energy: 0.5020954356538608
Energy: 0.5088605897577877
Energy: 0.5035345840496401
Energy: 0.5620606164472322
Energy: 0.5035345910954536
Energy: 0.6191360352157904
Energy: 0.5732550560965207
Energy: 0.568910834937795
Energy: 0.5733230738969338
Energy: 0.5744741620356407
Energy: 0.5109479073404298
Energy: 0.6859594175568311
Energy: 0.5111614897245869
Energy: 0.5663684997519555
Energy: 0.49838466562946326
Energy: 0.6786124976231152
Energy: 0.4982629407037003
Energy: 0.5648097588160907
Energy: 0.49891276690343217
Energy: 0.5848554591292419
Energy: 0.4989076356533584
Energy: 0.5063608766574889
Energy: 0.5058086273008997
Energy: 0.7057895923792812
Energy: 0.5058753128663852
Energy: 0.5050840441558369
Energy: 0.5088209499117982
Energy: 0.5758006334138456
Energy: 0.5088212722087965
Energy: 0.4963435242863198
Energy: 0.501646704522269
Energy: 0.5664002403563105
Energy: 0.501646398300645
Energy: 0.5130033919289163
Energy: 0.5108628343270915
Energy: 0.7650185625014938
Energy: 0.5066093866244895
Energy: 0.6800428423779555
Energy: 0.5064162976060789
Energy: 0.5673916166184907
Energy: 0.506367009240299
Energy: 0.6874233324779944
Energy: 0.5227524051064196
Energy: 0.6784887564776674
Energy: 0.5227524046258721
Energy: 0.5699068525958912
Energy: 0.5238936264772677
Energy: 0.6211328268271723
Energy: 0.5238936276462621
Energy: 0.567884248370664
Energy: 0.5033855313202379
Energy: 0.5862468550680249
Energy: 0.5033886525615038
Energy: 0.5674882438278241
Energy: 0.5045615100867107
Energy: 0.4968879514136253
Energy: 0.5045556151168021
Energy: 0.5681951168541908
Energy: 0.5035129375599912
Energy: 0.497578700716085
Energy: 0.5035129633566389
Energy: 0.7592366106530447
Energy: 0.505443411642959
Energy: 0.4978196497392287
Energy: 0.5056085758635314
Energy: 0.6622915730803518
Energy: 0.5001862957051161
Energy: 0.5736124383450247
Energy: 0.5002008187553085
Energy: 0.5655256559426565
Energy: 0.5023286969248831
Energy: 0.558693443028673
Energy: 0.5023359810641379
Energy: 0.6176921741318344
Energy: 0.5062484615690994
Energy: 0.5800024324643257
Energy: 0.5059007480009181
Energy: 0.5651267998919998
Energy: 0.5293250079029727
Energy: 0.6786350342617733
Energy: 0.529325105569049
Energy: 0.5745904983427433
Energy: 0.5033341580255017
Energy: 0.6861306125613937
Energy: 0.5021926537113145
Energy: 0.4966256852213985
Energy: 0.5005407870316183
Energy: 0.5706017517041863
Energy: 0.500567733587117
Energy: 0.5863688409012044
Energy: 0.5069112900876966
Energy: 0.6988707890672778
Energy: 0.5069109489324152
Energy: 0.505695176608094
Energy: 0.5005255815639794
Energy: 0.5742329857128181
Energy: 0.5012057921647862
Energy: 0.49324428545127164
Energy: 0.5061652352206415
Energy: 0.5736026289937772
Energy: 0.5061648088537685
Energy: 0.5065338467317477
Energy: 0.505498258124035
Energy: 0.7581404071090438
Energy: 0.5005427457284709
Energy: 0.5634591569655638
Energy: 0.49966530424282785
Energy: 0.6687982759452412
Energy: 0.49988895725388643
Energy: 0.5577098179339065
Energy: 0.5230513149168061
Energy: 0.5684794991517328
Energy: 0.5230512517653966
Energy: 0.5673241045375741
Energy: 0.5252347996561628
Energy: 0.618648165120874
Energy: 0.5252347796537341
Energy: 0.5685360724584088
Energy: 0.5058889246220498
Energy: 0.5675178531659951
Energy: 0.5053455097911652
Energy: 0.5770807423074902
Energy: 0.5008911865520554
Energy: 0.504131418951399
Energy: 0.5010599575085019
Energy: 0.6496481192471567
Energy: 0.5005210025187401
Energy: 0.49384072095771725
Energy: 0.5005209257989262
Energy: 0.6450970138224924
Energy: 0.5143924287652809
Energy: 0.4951149433192615
Energy: 0.5143921787659093

minimum gb energy = 0.49324428545127164 eV
minimum distance =  2.6658397704251 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.7370143527678804
Energy: 0.48096069308048073
Energy: 0.6023879296904084
Energy: 0.4874273510979641
Energy: 0.691337021300797
Energy: 0.46974986932333784
Energy: 0.5802249678045038
Energy: 0.4697498720321972
Energy: 0.6288871545181
Energy: 0.5271089661593323
Energy: 0.576917974610443
Energy: 0.5271089635508034
Energy: 0.7154187880457867
Energy: 0.5682023257287773
Energy: 0.5943658911503854
Energy: 0.5659646538003872
Energy: 0.5615143040366386
Energy: 0.5235006862887449
Energy: 0.613870796499359
Energy: 0.5235005944661889
Energy: 0.514802874399229
Energy: 0.46367945046904974
Energy: 0.5919548130308023
Energy: 0.4636792132393953
Energy: 0.5096563535922928
Energy: 0.4601836259855658
Energy: 0.6743316305163959
Energy: 0.46019972374507057
Energy: 0.5197689458953393
Energy: 0.45456216241114306
Energy: 0.5422027420171682
Energy: 0.454566008666578
Energy: 0.5142244841798512
Energy: 0.4571530354665522
Energy: 0.5358021776328915
Energy: 0.45715299997360126
Energy: 0.5077204385771557
Energy: 0.4531813250324456
Energy: 0.687143935029637
Energy: 0.4531813248903144
Energy: 0.5622114642114264
Energy: 0.5467146600209444
Energy: 0.6655030375377362
Energy: 0.546714394513621
Energy: 0.6146073043493304
Energy: 0.45302254903391054
Energy: 0.6797820809110331
Energy: 0.4530225479748854
Energy: 0.6149603740901075
Energy: 0.5030863642503943
Energy: 0.7060026999697898
Energy: 0.5030866233181278
Energy: 0.6274068228955701
Energy: 0.4528970485925556
Energy: 0.6315508445481384
Energy: 0.4546320893542597
Energy: 0.613870796499359
Energy: 0.5147964169294036
Energy: 0.5680037225271177
Energy: 0.514796421787891
Energy: 0.6976726976102837
Energy: 0.5150094946878145
Energy: 0.5133313427380318
Energy: 0.5150106717433363
Energy: 0.6910168025135617
Energy: 0.4696590297405758
Energy: 0.5088432088853161
Energy: 0.4696578021354771
Energy: 0.5314393627269759
Energy: 0.5165488097922197
Energy: 0.475070233679749
Energy: 0.5165483731928796
Energy: 0.5357339587431936
Energy: 0.47510190852533224
Energy: 0.47896371671861554
Energy: 0.47510191165872684
Energy: 0.6816138957164792
Energy: 0.4724298090171274
Energy: 0.47330004117141866
Energy: 0.4724298082637194

minimum gb energy = 0.4528970485925556 eV
minimum distance =  2.6692916432712 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7663233916354979
Energy: 0.5514144682933604
Energy: 0.5471944752664707
Energy: 0.423573220587113
Energy: 0.5914565300877302
Energy: 0.4170536150921895
Energy: 0.4999421149529158
Energy: 0.41705534869649996
Energy: 0.7185401931974689
Energy: 0.4196857369919784
Energy: 0.4964011907356302
Energy: 0.4196910546210065
Energy: 0.5682941831761612
Energy: 0.4314471444144783
Energy: 0.5054047112342988
Energy: 0.4314473533933173
Energy: 0.5979606628012194
Energy: 0.4525880599088335
Energy: 0.655266457894257
Energy: 0.4525878183486768
Energy: 0.577942423724404
Energy: 0.4506938234884407
Energy: 0.653655474096523
Energy: 0.45069382340646713
Energy: 0.5722669364889419
Energy: 0.45288352731539216
Energy: 0.5946080962707256
Energy: 0.45288352599662424
Energy: 0.505426275888235
Energy: 0.4233475905392909
Energy: 0.6534262831711357
Energy: 0.423200846622715
Energy: 0.49538883581583676
Energy: 0.4170249903499741
Energy: 0.6576567907745112
Energy: 0.41702489635707746
Energy: 0.4980200715271803
Energy: 0.4179520839721736
Energy: 0.7185501895724934
Energy: 0.4179521184888423
Energy: 0.4215588362797705
Energy: 0.42644316180583375
Energy: 0.6664978756810447
Energy: 0.4261025831596811
Energy: 0.4169933113769806
Energy: 0.42270500131568006
Energy: 0.5922480942689978
Energy: 0.42270500251114135
Energy: 0.4131388653007357
Energy: 0.4194356632345678
Energy: 0.5920629964556153
Energy: 0.41943566149070843
Energy: 0.42179087106047886
Energy: 0.423654618464555
Energy: 0.7307514964599708
Energy: 0.42366383329857954
Energy: 0.4943761930590487
Energy: 0.41959109219846946
Energy: 0.5921373936825429
Energy: 0.4195918700151654
Energy: 0.5021179038565081
Energy: 0.42302200447264904
Energy: 0.7255722034662753
Energy: 0.42302257955980954
Energy: 0.5933144345757179
Energy: 0.42041221468696766
Energy: 0.7353482859791889
Energy: 0.42041531757391093
Energy: 0.48910396205188683
Energy: 0.45367255901879383
Energy: 0.6623728968373852
Energy: 0.4536740360181463
Energy: 0.6533095617015168
Energy: 0.4508924412139619
Energy: 0.5737885403842251
Energy: 0.4508924400613017
Energy: 0.5994614838750592
Energy: 0.45603010507442787
Energy: 0.5778983559028379
Energy: 0.45603006588473927
Energy: 0.6683381921595182
Energy: 0.43006504658185335
Energy: 0.5229783896784732
Energy: 0.4300648704266077
Energy: 0.6532830373871484
Energy: 0.4211099681243843
Energy: 0.410946723412339
Energy: 0.4211099682186787
Energy: 0.598225223693462
Energy: 0.4192280218039317
Energy: 0.5056972927295776
Energy: 0.4192280703512882
Energy: 0.6644596289621474
Energy: 0.4235178105965269
Energy: 0.4184783610811239
Energy: 0.4235235946580501
Energy: 0.5935404527957097
Energy: 0.4152625004782861
Energy: 0.4148583840821213
Energy: 0.415262497149418
Energy: 0.7229380430374414
Energy: 0.4185246402172579
Energy: 0.41661769024360507
Energy: 0.41852613238326686

minimum gb energy = 0.410946723412339 eV
minimum distance =  2.68162320906405 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.8307558174934402
Energy: 0.39094135415427855
Energy: 0.526592160992498
Energy: 0.3961348414380381
Energy: 0.6559780880590658
Energy: 0.4130996462786788
Energy: 0.44965684954372265
Energy: 0.41309964649573566
Energy: 0.7493703549268959
Energy: 0.3896964070802127
Energy: 0.4469677072191321
Energy: 0.38969347376191094
Energy: 0.6518913436139615
Energy: 0.39210965075565585
Energy: 0.5382974829059144
Energy: 0.39190506505060396
Energy: 0.6541234444694604
Energy: 0.3872408307782703
Energy: 0.5781672290187517
Energy: 0.38873903438274376
Energy: 0.6419970493910755
Energy: 0.491842611720786
Energy: 0.5804154064451221
Energy: 0.49184261145972824
Energy: 0.6450810829008624
Energy: 0.41298910082251317
Energy: 0.653742274481364
Energy: 0.4129888019975139
Energy: 0.5896683516467245
Energy: 0.48405852230179713
Energy: 0.5790690836861503
Energy: 0.48405854561436806
Energy: 0.5090073245460047
Energy: 0.48946774160206824
Energy: 0.6973379426176651
Energy: 0.4894677415955236
Energy: 0.5117027252530019
Energy: 0.38139956506841277
Energy: 0.6522616109763154
Energy: 0.3824416968496408
Energy: 0.4545714120968698
Energy: 0.393634511871731
Energy: 0.7435715241345393
Energy: 0.39145670280083006
Energy: 0.44454664011324435
Energy: 0.38749998491533993
Energy: 0.6951807642334017
Energy: 0.3874891572410368
Energy: 0.4505607266657141
Energy: 0.3883123941555664
Energy: 0.6927180106635435
Energy: 0.3883052038559641
Energy: 0.3849075224635227
Energy: 0.38672762098546776
Energy: 0.7001279820902329
Energy: 0.38757395706292663
Energy: 0.3805212118823303
Energy: 0.3907302067636776
Energy: 0.7345199662183881
Energy: 0.3907302033381495
Energy: 0.3839086529797782
Energy: 0.39636700248090573
Energy: 0.7482558565539141
Energy: 0.3963672782329728
Energy: 0.4600101529500486
Energy: 0.39050486737198903
Energy: 0.757984806173412
Energy: 0.39050610234489913
Energy: 0.44107402417724734
Energy: 0.46078898607404656
Energy: 0.6540882795049889
Energy: 0.46078900397596306
Energy: 0.4564290739707963
Energy: 0.3857324441825419
Energy: 0.643326235349443
Energy: 0.3903730026512443
Energy: 0.585713787365546
Energy: 0.3920590746655548
Energy: 0.6404498961087494
Energy: 0.3917838965343484
Energy: 0.5798976454937029
Energy: 0.48766730497351046
Energy: 0.6951483335775531
Energy: 0.4876671940140002
Energy: 0.5876319396594294
Energy: 0.49240357038316
Energy: 0.6491732582161989
Energy: 0.4924035712335923
Energy: 0.6987841602000832
Energy: 0.560269915887258
Energy: 0.6428529903739528
Energy: 0.5602699158920178
Energy: 0.5780346198744427
Energy: 0.4935554328335735
Energy: 0.5865651585082056
Energy: 0.4935554313313487
Energy: 0.6972736401844639
Energy: 0.4927155741786314
Energy: 0.5011538578693487
Energy: 0.49271557419823847
Energy: 0.6969696151256415
Energy: 0.39084280666600885
Energy: 0.5833563887864971
Energy: 0.39237262754410823
Energy: 0.6997560594291392
Energy: 0.38871334322495044
Energy: 0.458972134297871
Energy: 0.3865135580815011
Energy: 0.6536379458785124
Energy: 0.45697676282220495
Energy: 0.4390315898812365
Energy: 0.4569747288934828
Energy: 0.7021742881902935
Energy: 0.39415452668817336
Energy: 0.4536348480722224
Energy: 0.39415411461758953
Energy: 0.6958999975267813
Energy: 0.3914291697867201
Energy: 0.3974273070321085
Energy: 0.3914305645756463
Energy: 0.6577128099180214
Energy: 0.38904948440645104
Energy: 0.3785329393721192
Energy: 0.38904568426599484
Energy: 0.7607815672579393
Energy: 0.39179998856196085
Energy: 0.39619969268855776
Energy: 0.3918347917069432

minimum gb energy = 0.3785329393721192 eV
minimum distance =  2.67751874513609 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.7193376091213107
Energy: 0.5221211213251699
Energy: 0.5169998902437211
Energy: 0.3634231205203728
Energy: 0.7609285434504321
Energy: 0.35779675506605596
Energy: 0.41039176428276497
Energy: 0.3559989613503081
Energy: 0.7580257207702165
Energy: 0.3613089640631069
Energy: 0.408287231658832
Energy: 0.3616581270084712
Energy: 0.6952102446265287
Energy: 0.36533561794067226
Energy: 0.5385628605174994
Energy: 0.3616317318728507
Energy: 0.6813126798584556
Energy: 0.37617720474889954
Energy: 0.5179432785202605
Energy: 0.3761923874691457
Energy: 0.6767529514434294
Energy: 0.45695249476930855
Energy: 0.5229920853106456
Energy: 0.4569524947703165
Energy: 0.5762185992827179
Energy: 0.45799625442305697
Energy: 0.6337148112371452
Energy: 0.4579962722994655
Energy: 0.6349020860867685
Energy: 0.3803567894511399
Energy: 0.5167086804747724
Energy: 0.38302206644751496
Energy: 0.5770846344570486
Energy: 0.5302925272634075
Energy: 0.628178907910282
Energy: 0.5302925272634075
Energy: 0.5764666168796387
Energy: 0.5246857208560424
Energy: 0.6806382662013922
Energy: 0.5246857208540262
Energy: 0.536237624494148
Energy: 0.37007652998641544
Energy: 0.6506280669188617
Energy: 0.3675220768431377
Energy: 0.4562118315576068
Energy: 0.36767042526049165
Energy: 0.7183407593241056
Energy: 0.37311826052695624
Energy: 0.5226198170355073
Energy: 0.36537307751753545
Energy: 0.7170509055137275
Energy: 0.35674040958166553
Energy: 0.42322386908026
Energy: 0.3683287009086883
Energy: 0.6337745339039489
Energy: 0.3691619326905703
Energy: 0.40378550942541763
Energy: 0.35662212333538734
Energy: 0.6781960365488163
Energy: 0.35578038937866246
Energy: 0.4242560486043846
Energy: 0.3667379489254644
Energy: 0.723819107144914
Energy: 0.3666795219224106
Energy: 0.372263609266237
Energy: 0.3765692156060421
Energy: 0.7232570546388343
Energy: 0.3765594074275503
Energy: 0.3479771377022189
Energy: 0.36025362168313285
Energy: 0.6830928918007155
Energy: 0.36026960831120547
Energy: 0.36238032851963087
Energy: 0.3641187364433391
Energy: 0.6784679466772536
Energy: 0.363930259331432
Energy: 0.41421733226808166
Energy: 0.36807442740836477
Energy: 0.7702831182734565
Energy: 0.36810485358777395
Energy: 0.3995330415881821
Energy: 0.3795949260781621
Energy: 0.6815939750131684
Energy: 0.3795949242428221
Energy: 0.41811312905432024
Energy: 0.3604390910490811
Energy: 0.6888728787408023
Energy: 0.3607399754168988
Energy: 0.5248230100278771
Energy: 0.35827316553650396
Energy: 0.6744345471405873
Energy: 0.35914599095233946
Energy: 0.5173469562491173
Energy: 0.3665611495955483
Energy: 0.7202343357781995
Energy: 0.35928641724439647
Energy: 0.5347773120992669
Energy: 0.3633465912411821
Energy: 0.5796789343879865
Energy: 0.3673883137606658
Energy: 0.6294954404698495
Energy: 0.5231763233449582
Energy: 0.6835028926392299
Energy: 0.5231763233454623
Energy: 0.5175293432348036
Energy: 0.5301022362493212
Energy: 0.6269528203913386
Energy: 0.530102236248313
Energy: 0.6385073773161528
Energy: 0.3822486233187169
Energy: 0.5804443900499935
Energy: 0.3857051604730946
Energy: 0.6305269316974002
Energy: 0.45672211575724264
Energy: 0.6324607129106833
Energy: 0.4567217813765338
Energy: 0.6278533538483392
Energy: 0.45519662966780206
Energy: 0.5245999284527765
Energy: 0.4551971064103192
Energy: 0.722107018608581
Energy: 0.4189724177243681
Energy: 0.45590722954949037
Energy: 0.41919588898556265
Energy: 0.6364358070754451
Energy: 0.36372724402481554
Energy: 0.5362021280797772
Energy: 0.3705310970571027
Energy: 0.7169531503872069
Energy: 0.37629627885130545
Energy: 0.4102244629920571
Energy: 0.37629637150548123
Energy: 0.7609764106648036
Energy: 0.3605365020502937
Energy: 0.40595567304222424
Energy: 0.35411234508076245
Energy: 0.7368536567227889
Energy: 0.43580592496058235
Energy: 0.36506967839436155
Energy: 0.4358018046452244
Energy: 0.7171070326202396
Energy: 0.3841126691492776
Energy: 0.3575036859420494
Energy: 0.3841127926794574
Energy: 0.7562105403432331
Energy: 0.3595744247076016
Energy: 0.35793115605213227
Energy: 0.35957281614539527

minimum gb energy = 0.3479771377022189 eV
minimum distance =  2.68295080854428 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.7579028291900137
Energy: 0.3397101225351823
Energy: 0.33943883902251654
Energy: 0.3368068617864225
Energy: 0.7665208973194485
Energy: 0.31885015286061713
Energy: 0.37195623852345233
Energy: 0.3193815742010433
Energy: 0.6894438493918147
Energy: 0.32072904516319684
Energy: 0.3715015516974012
Energy: 0.3207346742620632
Energy: 0.6133011839209633
Energy: 0.32660933989549656
Energy: 0.4809583080137918
Energy: 0.32465869539457093
Energy: 0.6930782919423715
Energy: 0.3211363202995874
Energy: 0.4654662008210057
Energy: 0.32067936434786526
Energy: 0.6055999140806665
Energy: 0.32100725248732537
Energy: 0.47150466792683915
Energy: 0.3203717572410946
Energy: 0.6111568249377188
Energy: 0.3211699280864619
Energy: 0.571128119732494
Energy: 0.32188535462755524
Energy: 0.6508939331952192
Energy: 0.41645414940028047
Energy: 0.46039847754573493
Energy: 0.41645772426933414
Energy: 0.6104736042303884
Energy: 0.48938263028451084
Energy: 0.565943506636045
Energy: 0.48938263028451084
Energy: 0.6093020476804514
Energy: 0.4886706327491526
Energy: 0.6477848783253586
Energy: 0.4886706327491526
Energy: 0.5776523071911384
Energy: 0.4234248889456739
Energy: 0.574362463041031
Energy: 0.42342900003220585
Energy: 0.5183216180252995
Energy: 0.4886422354556776
Energy: 0.6512972774149571
Energy: 0.48864223545655194
Energy: 0.5626810695690527
Energy: 0.4130369333288839
Energy: 0.6480622449786726
Energy: 0.4130381339740064
Energy: 0.48587582782720895
Energy: 0.3224931899284973
Energy: 0.5647967730651632
Energy: 0.32251752855566307
Energy: 0.4058302048752297
Energy: 0.3185588192825333
Energy: 0.7248263393055799
Energy: 0.31858220809769505
Energy: 0.47771488958183367
Energy: 0.3247344089539393
Energy: 0.6495252849303811
Energy: 0.3247345626661657
Energy: 0.38734239457432484
Energy: 0.3293088020523038
Energy: 0.654330791038294
Energy: 0.3293074837523497
Energy: 0.3611425551652564
Energy: 0.3194057305304208
Energy: 0.7608503329872258
Energy: 0.31937811675436084
Energy: 0.38867195971870144
Energy: 0.321687342973735
Energy: 0.731658761359191
Energy: 0.3216720266327536
Energy: 0.3357816266158333
Energy: 0.3316124746660943
Energy: 0.7359796458224682
Energy: 0.3316125489643097
Energy: 0.31537846672687125
Energy: 0.3216461569079784
Energy: 0.7604940510363271
Energy: 0.3216466375661755
Energy: 0.334122710438463
Energy: 0.32178166759035726
Energy: 0.6973823350525142
Energy: 0.32178227240430607
Energy: 0.3798438836208526
Energy: 0.32275112946248324
Energy: 0.7717130948018347
Energy: 0.32276838212500253
Energy: 0.36278938701760105
Energy: 0.32275958287460177
Energy: 0.7645229248066191
Energy: 0.32275980099297297
Energy: 0.38864528584030045
Energy: 0.3258890229648248
Energy: 0.6296182165584047
Energy: 0.32651019374795254
Energy: 0.4696418674095934
Energy: 0.32004820864383754
Energy: 0.7289018106411308
Energy: 0.31992017204571316
Energy: 0.46623072904163093
Energy: 0.31690887229256076
Energy: 0.6844726813525916
Energy: 0.31676173249903566
Energy: 0.5347686439184961
Energy: 0.3279850477461724
Energy: 0.6176662425516228
Energy: 0.32552604267684443
Energy: 0.5650941216921053
Energy: 0.3190826615846422
Energy: 0.6915815442574677
Energy: 0.319241034653232
Energy: 0.5642187762771241
Energy: 0.48646534980207945
Energy: 0.6065259807929084
Energy: 0.4864653498016424
Energy: 0.6567411098803908
Energy: 0.49198436500089643
Energy: 0.5139158888170794
Energy: 0.49198436500089643
Energy: 0.5656385271100054
Energy: 0.4942427302185872
Energy: 0.6116207877527324
Energy: 0.4942427302194615
Energy: 0.6494023431526487
Energy: 0.4866303269462455
Energy: 0.5174748149985365
Energy: 0.48663032694495384
Energy: 0.6904151466170199
Energy: 0.4123416518632404
Energy: 0.5174183380348445
Energy: 0.41234158606060517
Energy: 0.5719387460978397
Energy: 0.3294935355995851
Energy: 0.48322673578319114
Energy: 0.329410564145225
Energy: 0.7261736070886169
Energy: 0.318818596204714
Energy: 0.4672520970787054
Energy: 0.32036187154195245
Energy: 0.7296444308068244
Energy: 0.3215995161926929
Energy: 0.4700062335151913
Energy: 0.32225489828546505
Energy: 0.6635599757698643
Energy: 0.32572044553127055
Energy: 0.3821629757032476
Energy: 0.3264710344384371
Energy: 0.7653126533903514
Energy: 0.3171604363229214
Energy: 0.3623342599287679
Energy: 0.31730212161987764
Energy: 0.7287176845646691
Energy: 0.32583478025660784
Energy: 0.38251776291498374
Energy: 0.3258347787255372
Energy: 0.6574979454793697
Energy: 0.3228350813191433
Energy: 0.32571506374547504
Energy: 0.32283449304893974
Energy: 0.7621811786976023
Energy: 0.3172471196085845
Energy: 0.3148629495384122
Energy: 0.3172522834922949
Energy: 0.692917627424074
Energy: 0.32314173938818797
Energy: 0.32820481649144806
Energy: 0.32314169170489754

minimum gb energy = 0.3148629495384122 eV
minimum distance =  2.68531559440185 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.010029789548232797
Energy: 0.2603208968203284
Energy: 0.5662330647194834
Energy: 0.01046123501144856
Energy: 0.3828109633117984
Energy: 0.0810542282836253
Energy: 0.3854482241757801
Energy: 0.0810542282836253
Energy: 0.010498401806338452
Energy: 0.08188214408900155
Energy: 0.3837555547105102
Energy: 0.0818821441060842
Energy: 0.01121697414943879
Energy: 0.08585792118008274
Energy: 0.39526964178731067
Energy: 0.08585792119486903
Energy: 0.3932670884654629
Energy: 0.08126373826453648
Energy: 0.39159341797646585
Energy: 0.08126373830822327
Energy: 0.010314906473068331
Energy: 0.0803737776658107
Energy: 0.3937458107541169
Energy: 0.08037377767466007

minimum gb energy = 0.010029789548232797 eV
minimum distance =  2.87210323339713 Angstroms
sigma value = 1