Model name: model_name=EAM_Dynamo_OBrienBarrPrice_2018_PtAu__MO_946831081299_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=4.1529443442821545
cohesive_energy=3.033443451543865
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=[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]
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: 0.008864236760385854
Energy: 0.009299066674608723
Energy: 0.009378147700790918
Energy: 0.008977844938171671
Energy: 0.23974970728549433
Energy: 0.009130149498938782
Energy: 0.009299066674371097
Energy: 0.07236811592686743
Energy: 0.07280557430692053
Energy: 0.07280557430692053
Energy: 0.07494634450958046
Energy: 0.07080282959693453
Energy: 0.009378147700790918
Energy: 0.07280557427301938
Energy: 0.06928155854773929
Energy: 0.009233234355157166
Energy: 0.07336750712030572
Energy: 0.06919734209100166
Energy: 0.008977844938171671
Energy: 0.008977844938171671
Energy: 0.009233234355157166
Energy: 0.009017018012977532
Energy: 0.0880951612214825
Energy: 0.00916015950039817
Energy: 0.23975018444249585
Energy: 0.07494634332329139
Energy: 0.07336750708685343
Energy: 0.08809516125584568
Energy: 0.0772986079447246
Energy: 0.0691048605046779
Energy: 0.009130149498938782
Energy: 0.07080283289916696
Energy: 0.06919734209031518
Energy: 0.00916015950039817
Energy: 0.06746380618407438
Energy: 0.009283127024530583

minimum gb energy = 0.008864236760385854 eV
minimum distance =  2.93102262958739 Angstroms
sigma value = 1


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

Energy: 0.7114543837508855
Energy: 0.5008577595289222
Energy: 0.5126105702267051
Energy: 0.47073589012241507
Energy: 0.4951818938715842
Energy: 0.51415454127728
Energy: 0.688704239473777
Energy: 0.5157166730261907
Energy: 0.5076650607179864
Energy: 0.4934926363591749
Energy: 0.5118314722424003
Energy: 0.4961379812232013
Energy: 0.6839995091294304
Energy: 0.5119612888279136
Energy: 0.4913206560985013
Energy: 0.4930303000399895
Energy: 0.5135903358853255
Energy: 0.5031645668657022
Energy: 0.7186238233425981
Energy: 0.4809055788674646
Energy: 0.5152153622006638
Energy: 0.5037732000502637
Energy: 0.4776388550026112
Energy: 0.5143401945173266
Energy: 0.6850294097024795
Energy: 0.4981090964756359
Energy: 0.49649788960116226
Energy: 0.43352433880012536
Energy: 0.5004714683741873
Energy: 0.49782490279963054
Energy: 0.6565746627084266
Energy: 0.4949688527878296
Energy: 0.49400327357095164
Energy: 0.4952764408386992
Energy: 0.497959563323981
Energy: 0.495466032730499
Energy: 0.6529884197155195
Energy: 0.46765850969591233
Energy: 0.5011209794460837
Energy: 0.5048310204760563
Energy: 0.4595399039933505
Energy: 0.5028374464975686
Energy: 0.6584282892347992
Energy: 0.4958974333681694
Energy: 0.4955651648044666
Energy: 0.46051510936421663
Energy: 0.4999261854584657
Energy: 0.5034740239529534
Energy: 0.5456661472771812
Energy: 0.4928166903887187
Energy: 0.49628685848950616
Energy: 0.4984462053670862
Energy: 0.4937770846535855
Energy: 0.49201054603238353
Energy: 0.5536556612392252
Energy: 0.48972313190773326
Energy: 0.4905003605905381
Energy: 0.4855770591217045
Energy: 0.48037710993789356
Energy: 0.49784348645305493
Energy: 0.5955081694649923
Energy: 0.5035590851453268
Energy: 0.5049857907689773
Energy: 0.5216109368529387
Energy: 0.5079254879769978
Energy: 0.5258137091145444
Energy: 0.5083764416128762
Energy: 0.4906017200564696
Energy: 0.49669490391395477
Energy: 0.509044939147674
Energy: 0.49212299679985877
Energy: 0.5152454896762345
Energy: 0.5154690834486932
Energy: 0.4934491003211783
Energy: 0.492807061756263
Energy: 0.512712493807325
Energy: 0.4912940258441747
Energy: 0.48577022903046896
Energy: 0.5442796517870448
Energy: 0.5061444238170527
Energy: 0.4972486507111164
Energy: 0.5027290678426416
Energy: 0.5053514040611569
Energy: 0.5021251970350133
Energy: 0.5253404775242206
Energy: 0.49342743851051857
Energy: 0.5110974154330147
Energy: 0.49261379944717754
Energy: 0.4980656831560859
Energy: 0.49057384089146944
Energy: 0.5249967012056411
Energy: 0.4958569357400198
Energy: 0.4875183822147016
Energy: 0.5056114840003401
Energy: 0.4959253669407657
Energy: 0.5138474723962008
Energy: 0.6322994475420587
Energy: 0.5076392418669096
Energy: 0.5052980656575105
Energy: 0.4952111770869669
Energy: 0.5040881371109786
Energy: 0.49497813905669014
Energy: 0.5951968429834485
Energy: 0.43649150907614453
Energy: 0.499689503104946
Energy: 0.49678327468787403
Energy: 0.46166529396431505
Energy: 0.49961105831819447
Energy: 0.5947071184710682
Energy: 0.4924708000102845
Energy: 0.48921761153224436
Energy: 0.5009084481239945
Energy: 0.49654039372453074
Energy: 0.48898036295343783
Energy: 0.677453239782424
Energy: 0.49371258347637903
Energy: 0.4895948905092387
Energy: 0.43789030275590757
Energy: 0.49705375394241585
Energy: 0.49385501803949844
Energy: 0.7064035610122967
Energy: 0.48537833176385753
Energy: 0.49805153283532827
Energy: 0.4993427034663711
Energy: 0.5084096694636728
Energy: 0.5088094643989692
Energy: 0.6864587056816701
Energy: 0.5053639369990695
Energy: 0.5082367512032947
Energy: 0.4922117521167936
Energy: 0.5036229979945122
Energy: 0.4955617383145613
Energy: 0.6888813561858337
Energy: 0.5046295024737572
Energy: 0.5132680019837776
Energy: 0.4950899922023659
Energy: 0.49713463954708836
Energy: 0.49901680350735395

minimum gb energy = 0.43352433880012536 eV
minimum distance =  2.72261272387732 Angstroms
sigma value = 33


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

Energy: 0.7781558156967622
Energy: 0.5093154037531105
Energy: 0.5140626603137798
Energy: 0.6373604694836207
Energy: 0.7378556687984209
Energy: 0.5196458248533737
Energy: 0.5196458248533737
Energy: 0.5099033141389934
Energy: 0.5175290306184831
Energy: 0.5018233309396255
Energy: 0.5093811273556383
Energy: 0.5061187073164435
Energy: 0.6317075952545425
Energy: 0.515117819124455
Energy: 0.5150601304680033
Energy: 0.5106233239598029
Energy: 0.5122830894619189
Energy: 0.4887178957758478
Energy: 0.6438833980497319
Energy: 0.5028054729048445
Energy: 0.5025504326268244
Energy: 0.5008206612316158
Energy: 0.5083680792468278
Energy: 0.5146242900602296
Energy: 0.6187484631007648
Energy: 0.5064795028997536
Energy: 0.5084652808005787
Energy: 0.5009407132775897
Energy: 0.5067415187666383
Energy: 0.5097831145086504
Energy: 0.6486740748368043
Energy: 0.5058650185989827
Energy: 0.5086060046240284
Energy: 0.4924056334595581
Energy: 0.5054147465471783
Energy: 0.5111298698803837
Energy: 0.6468515650512824
Energy: 0.49867805917495084
Energy: 0.4926294581585141
Energy: 0.5031050129611839
Energy: 0.5084552531716863
Energy: 0.4957711024758308
Energy: 0.6170223502907561
Energy: 0.49637678060802004
Energy: 0.49339185221754267
Energy: 0.5051896922656522
Energy: 0.4972340942839357
Energy: 0.49867224595902604
Energy: 0.5378565495700041
Energy: 0.4953489786687643
Energy: 0.5011873629995077
Energy: 0.5070497212074804
Energy: 0.4996364036040542
Energy: 0.5090997904047576
Energy: 0.5421565326503877
Energy: 0.49541745966511846
Energy: 0.495024963341123
Energy: 0.5094713783344476
Energy: 0.5035447736380596
Energy: 0.5095675554050845
Energy: 0.5744818059642554
Energy: 0.4930914894314988
Energy: 0.49258321106045344
Energy: 0.5301011670157972
Energy: 0.49434423409932726
Energy: 0.4899709292456689
Energy: 0.5093662340929856
Energy: 0.4949475567891138
Energy: 0.5090067355386099
Energy: 0.5087968481335234
Energy: 0.4954111056632547
Energy: 0.49419573966161484
Energy: 0.5111280264092928
Energy: 0.500224936063184
Energy: 0.4915660159226027
Energy: 0.5094141581144721
Energy: 0.5023703934822655
Energy: 0.5222346985852598
Energy: 0.5635535934151019
Energy: 0.5125349618714542
Energy: 0.5104592123554947
Energy: 0.5576689328267143
Energy: 0.5082717316896672
Energy: 0.5203432224618755
Energy: 0.5452368254809246
Energy: 0.4995420801980155
Energy: 0.49463052974948984
Energy: 0.5078492971421615
Energy: 0.5048848232776371
Energy: 0.5115211945758482
Energy: 0.5344254781353165
Energy: 0.49650408160390985
Energy: 0.5140345034902023
Energy: 0.5044039858769979
Energy: 0.5011778953275401
Energy: 0.5093854977644087
Energy: 0.6339128380790774
Energy: 0.5031037890953459
Energy: 0.5025124246016263
Energy: 0.5188493849146432
Energy: 0.5039154615048572
Energy: 0.5027367582553357
Energy: 0.5665035189755813
Energy: 0.5016784374377168
Energy: 0.5014198969732836
Energy: 0.496834734132813
Energy: 0.5192292600982238
Energy: 0.49292030146063026
Energy: 0.5692925134736875
Energy: 0.5071599837430456
Energy: 0.5067864763879272
Energy: 0.4999150400608754
Energy: 0.507237394047223
Energy: 0.5009841635604693
Energy: 0.6122435255227728
Energy: 0.5081104742110724
Energy: 0.5098403718293689
Energy: 0.510468713448264
Energy: 0.5076635345417918
Energy: 0.4973700279486082
Energy: 0.7225502570587368
Energy: 0.5025222002434074
Energy: 0.4941418430888909
Energy: 0.49300955521185985
Energy: 0.5237818195919973
Energy: 0.5158586793696185
Energy: 0.5826016404137426
Energy: 0.505177019801416
Energy: 0.5109019026349894
Energy: 0.4953066569254236
Energy: 0.5099837976577897
Energy: 0.5090482654165596
Energy: 0.6284667576899796
Energy: 0.5148075023418544
Energy: 0.5169824941297426
Energy: 0.5052520981922594
Energy: 0.5110205884163441
Energy: 0.49567564343662274
Energy: 0.6686935824039552
Energy: 0.5097687616419639
Energy: 0.5113371703677563
Energy: 0.5105236039018409
Energy: 0.5166591674481853
Energy: 0.5063778903392452
Energy: 0.6160455863293074
Energy: 0.5120554108494253
Energy: 0.5120775572864184
Energy: 0.5023000009730415
Energy: 0.512001364084173
Energy: 0.5122755716614447
Energy: 0.654628087158632
Energy: 0.503595691072717
Energy: 0.5057980647855806
Energy: 0.5001556201956766
Energy: 0.5029495118191847
Energy: 0.5092435060325963
Energy: 0.6437647159311933
Energy: 0.5021360657296638
Energy: 0.5010382523714736
Energy: 0.5030210891413327
Energy: 0.508714524318905
Energy: 0.5050628067030943
Energy: 0.6125157197466884
Energy: 0.4959029968793583
Energy: 0.4921537409651076
Energy: 0.498558332344964
Energy: 0.49352223344492935
Energy: 0.49496453191522405
Energy: 0.5387557866703958
Energy: 0.496219494905726
Energy: 0.4936335324021295
Energy: 0.5037226973117873
Energy: 0.5005573408181505
Energy: 0.5106934730061562
Energy: 0.5389721823313
Energy: 0.4954804729615635
Energy: 0.49402752773840053
Energy: 0.509402546074763
Energy: 0.5048763411513084
Energy: 0.5095923491069947
Energy: 0.603025806324667
Energy: 0.4859479432354479
Energy: 0.5020508920700414
Energy: 0.6049797938983098
Energy: 0.4925088689078146
Energy: 0.4992617605016586
Energy: 0.5135539729653824
Energy: 0.5025729966974712
Energy: 0.5131899919169265
Energy: 0.5103849952676788
Energy: 0.4961869126738154
Energy: 0.5074012018010846
Energy: 0.5095243087351206
Energy: 0.4972192089744507
Energy: 0.4988524340483482
Energy: 0.5067300863409163
Energy: 0.5040119778697506
Energy: 0.521389979377631
Energy: 0.5057848321455796
Energy: 0.5053976397419102
Energy: 0.5040315772490703
Energy: 0.5047285206123789
Energy: 0.5101705724271245
Energy: 0.5699885722897563
Energy: 0.5567076234598187
Energy: 0.49836271035212537
Energy: 0.4947528362113689
Energy: 0.5138803708709966
Energy: 0.5032928422750782
Energy: 0.5198911779541651
Energy: 0.5354558887714314
Energy: 0.5024375945670213
Energy: 0.5101283620169502
Energy: 0.503968926053384
Energy: 0.5019050128602341
Energy: 0.5056370648738581
Energy: 0.54110712070655
Energy: 0.5085067643316294
Energy: 0.5092230625732934
Energy: 0.5145947314138197
Energy: 0.5106548660341776
Energy: 0.5063028854812996
Energy: 0.5739109435420844
Energy: 0.48869469328761306
Energy: 0.4923041125519143
Energy: 0.4977048652892515
Energy: 0.4892370843830991
Energy: 0.5013585903130561
Energy: 0.5640441907534346
Energy: 0.5033328943888719
Energy: 0.5046622857012713
Energy: 0.49381101515705644
Energy: 0.5042736532784351
Energy: 0.49220968261956366
Energy: 0.6210159817025309
Energy: 0.5048078479195395
Energy: 0.5075355741674168
Energy: 0.5056161463039688
Energy: 0.50502376391281
Energy: 0.49994886521257353
Energy: 0.7240794188912381
Energy: 0.49847790747970283
Energy: 0.4957971680929005
Energy: 0.4950986920127233
Energy: 0.5077363243600227
Energy: 0.48650770850699326

minimum gb energy = 0.4859479432354479 eV
minimum distance =  2.75608739427828 Angstroms
sigma value = 51


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

Energy: 0.742968288895933
Energy: 0.4844425218335164
Energy: 0.48581317481389336
Energy: 0.47517019351113343
Energy: 0.5184239171580312
Energy: 0.54351036532707
Energy: 0.6441763028210674
Energy: 0.5218882975087947
Energy: 0.53034042294653
Energy: 0.5014641632148268
Energy: 0.5264231330411517
Energy: 0.49957501265648085
Energy: 0.6702888661401977
Energy: 0.5244930731608297
Energy: 0.5221681999749599
Energy: 0.500573449961312
Energy: 0.5198686287326343
Energy: 0.4972898366048293
Energy: 0.674861140165806
Energy: 0.4873180058648468
Energy: 0.49255377755307295
Energy: 0.4569242423358683
Energy: 0.4873628371999151
Energy: 0.511026555961037
Energy: 0.6202183579350558
Energy: 0.5209948755398663
Energy: 0.5192855667296973
Energy: 0.5107603491099806
Energy: 0.5222403459148426
Energy: 0.5056245748444034
Energy: 0.5858225795609102
Energy: 0.5146748446176167
Energy: 0.5120992045830698
Energy: 0.5160009278979086
Energy: 0.5178895826381886
Energy: 0.5131391868673242
Energy: 0.5904852797993543
Energy: 0.51295769499115
Energy: 0.5079064778681267
Energy: 0.5172621151273222
Energy: 0.45858373299762867
Energy: 0.5169099706385344
Energy: 0.5985592094148533
Energy: 0.4393384080138502
Energy: 0.48881171895937686
Energy: 0.48305832641969115
Energy: 0.4398811528080756
Energy: 0.4876237828093239
Energy: 0.5235650989882631
Energy: 0.4729852916000767
Energy: 0.4764018485121464
Energy: 0.5204845575275737
Energy: 0.4775724114265179
Energy: 0.5014464135010474
Energy: 0.5215011169727507
Energy: 0.5329175459240645
Energy: 0.5167410910300072
Energy: 0.5209212743515423
Energy: 0.49745846670956523
Energy: 0.49869519696176623
Energy: 0.5801512830482525
Energy: 0.4852824583186941
Energy: 0.4860850722710227
Energy: 0.5804256161574757
Energy: 0.48482488180818367
Energy: 0.5491522640498822
Energy: 0.5488527528975831
Energy: 0.46236475641438524
Energy: 0.5237199470447355
Energy: 0.5107370206153585
Energy: 0.49938536080347484
Energy: 0.4989203328473708
Energy: 0.5351293021885178
Energy: 0.5102266719850004
Energy: 0.5125569556040491
Energy: 0.5209977838064738
Energy: 0.509838718177212
Energy: 0.524024170814057
Energy: 0.5459930223574776
Energy: 0.4929288293214467
Energy: 0.49002032501286774
Energy: 0.528804996374388
Energy: 0.5054324983216332
Energy: 0.49060940251850094
Energy: 0.6209063913494085
Energy: 0.4704009962546387
Energy: 0.4713600144365717
Energy: 0.5058151647224459
Energy: 0.4734336534783208
Energy: 0.471991500301712
Energy: 0.6087863931380132
Energy: 0.529707199841693
Energy: 0.5139429740859188
Energy: 0.5040481582727848
Energy: 0.5285347871946262
Energy: 0.5051030767593123
Energy: 0.6256933164874053
Energy: 0.5244000980635539
Energy: 0.5260186912982747
Energy: 0.5231933261325642
Energy: 0.5228709707138485
Energy: 0.5183542323564604
Energy: 0.738871093478331
Energy: 0.5136131372978674
Energy: 0.5073422698784812
Energy: 0.44213605271166817
Energy: 0.5097520741169631
Energy: 0.4952403578041993

minimum gb energy = 0.4393384080138502 eV
minimum distance =  2.74209700218974 Angstroms
sigma value = 19


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

Energy: 0.6216617778814134
Energy: 0.5198817579365731
Energy: 0.514712591019768
Energy: 0.5180213855030752
Energy: 0.8100557852453593
Energy: 0.5157700696575692
Energy: 0.6821877264853975
Energy: 0.49180864157191445
Energy: 0.49101721622169553
Energy: 0.5216724783011617
Energy: 0.4916272340375869
Energy: 0.4909724658848322
Energy: 0.5641366702152465
Energy: 0.4917929877173973
Energy: 0.49208905827394667
Energy: 0.5437603477875594
Energy: 0.49169335302912537
Energy: 0.4929803491594016
Energy: 0.5479274766024615
Energy: 0.48936865667128676
Energy: 0.49426110050144706
Energy: 0.5099911541754006
Energy: 0.4908999934108244
Energy: 0.4931227051656539
Energy: 0.5342753347584244
Energy: 0.49438019290342905
Energy: 0.49653482872494464
Energy: 0.4851966698657219
Energy: 0.4925089940646944
Energy: 0.5103044843883784
Energy: 0.5570568123515255
Energy: 0.4757756324396344
Energy: 0.5090391583141111
Energy: 0.5162665279199451
Energy: 0.4829414409031558
Energy: 0.5079398944564945
Energy: 0.5641180889151439
Energy: 0.5098900851508299
Energy: 0.505244427682422
Energy: 0.521173663622779
Energy: 0.4856401038736959
Energy: 0.506116299311388
Energy: 0.5402876364394731
Energy: 0.5107989157892121
Energy: 0.46251982934296154
Energy: 0.5423423372686813
Energy: 0.5129913716731226
Energy: 0.4715474815774082
Energy: 0.5035471603466813
Energy: 0.46190741634900984
Energy: 0.4647303425838585
Energy: 0.49083012161542977
Energy: 0.4657538643083879
Energy: 0.4722482806197034
Energy: 0.4879953872034974
Energy: 0.49797025499011377
Energy: 0.4950080748874112
Energy: 0.49017984381957197
Energy: 0.5323920498793613
Energy: 0.49199409293730223
Energy: 0.5035309231031652
Energy: 0.5048457913359198
Energy: 0.5063705638989074
Energy: 0.49382068335552076
Energy: 0.5065920493944581
Energy: 0.5446397956773253
Energy: 0.5853884893464195
Energy: 0.5122434630442865
Energy: 0.5151708735803896
Energy: 0.4937053755599954
Energy: 0.5365477335339927
Energy: 0.4904418956503817
Energy: 0.4736858642690768
Energy: 0.5066421567897378
Energy: 0.5146712402323196
Energy: 0.4760260616805784
Energy: 0.5116192450506148
Energy: 0.5127749152662319
Energy: 0.5905046585607211
Energy: 0.5125372397852506
Energy: 0.5118825041770348
Energy: 0.49460291019227626
Energy: 0.513760585386371
Energy: 0.5121915306298895
Energy: 0.6438466558316921
Energy: 0.49313166418683524
Energy: 0.48467529172208157
Energy: 0.46540984353121384
Energy: 0.4935509621015789
Energy: 0.4735726578716708
Energy: 0.6251807767464123
Energy: 0.49524075569165793
Energy: 0.47140067068405206
Energy: 0.5133891387253655
Energy: 0.4925808091449055
Energy: 0.5176937852758414
Energy: 0.53832339458659
Energy: 0.4947183658776023
Energy: 0.4949715331353948
Energy: 0.48402217207480897
Energy: 0.49101772679880296
Energy: 0.4943218552946723
Energy: 0.5515240132494408
Energy: 0.49101585086148064
Energy: 0.49472357820874446
Energy: 0.5076039868817313
Energy: 0.49136856028253906
Energy: 0.4908729893965689
Energy: 0.5568343296491914
Energy: 0.49419668852671644
Energy: 0.48928391584680986
Energy: 0.5112015471263993
Energy: 0.4924002656245015
Energy: 0.49023290945195763
Energy: 0.5840819701563882
Energy: 0.4783329678598805
Energy: 0.5089165402120497
Energy: 0.520954681885139
Energy: 0.47859321453387177
Energy: 0.5100532771951937
Energy: 0.5511934415858172
Energy: 0.5131085118598327
Energy: 0.5143124529850219
Energy: 0.5150442262173616
Energy: 0.49132687134654673
Energy: 0.510391169369242
Energy: 0.5829207858136476
Energy: 0.49123489926056957
Energy: 0.5120760775283604
Energy: 0.511682647309876
Energy: 0.5017808900207485
Energy: 0.5118545219298957
Energy: 0.5506441304375603
Energy: 0.5192867696931263
Energy: 0.5171245565743249
Energy: 0.5522207853093885
Energy: 0.518005217542792
Energy: 0.5179076397924732
Energy: 0.49268380666753614
Energy: 0.5096879537181391
Energy: 0.4946593527133304
Energy: 0.4933488625555117
Energy: 0.49649873898054014
Energy: 0.4918534308594255
Energy: 0.49282004834887133
Energy: 0.5135858455131458
Energy: 0.48981983834831644
Energy: 0.494152638253786
Energy: 0.5413592537411385
Energy: 0.49320959443270096
Energy: 0.5515433767577268
Energy: 0.505107778514758
Energy: 0.5007175932737624
Energy: 0.5450769274807646
Energy: 0.5076148109132489
Energy: 0.49474299938534233
Energy: 0.5689084821016687
Energy: 0.5271596462944972
Energy: 0.5088727241458016
Energy: 0.4920065288120294
Energy: 0.513723489043557
Energy: 0.5117149397186943
Energy: 0.4784898638412497
Energy: 0.5124677644351562
Energy: 0.5041550959604223
Energy: 0.47846037863015684
Energy: 0.51679241365929
Energy: 0.5073908580517803
Energy: 0.5347452601288059
Energy: 0.5135302197090891
Energy: 0.5111778783868773
Energy: 0.49316523409212326
Energy: 0.5219083728668974
Energy: 0.5048845586483601
Energy: 0.6304764071258272
Energy: 0.5418312468347745
Energy: 0.4693437255285048
Energy: 0.46320406428403826
Energy: 0.5431618960739941
Energy: 0.47432720584079807

minimum gb energy = 0.46190741634900984 eV
minimum distance =  2.77590276179547 Angstroms
sigma value = 27


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

Energy: 0.5478323013189185
Energy: 0.5351843799255466
Energy: 0.6200748000802537
Energy: 0.49819725936214965
Energy: 0.787835475280567
Energy: 0.6221950187016794
Energy: 0.4980215949064492
Energy: 0.488834642587988
Energy: 0.4816511673526326
Energy: 0.46013461650240656
Energy: 0.4826434337040532
Energy: 0.45319149224553384
Energy: 0.516008209398077
Energy: 0.48025467528652793
Energy: 0.48474951830646756
Energy: 0.4252918556201581
Energy: 0.4792616824148465
Energy: 0.43857202550018465
Energy: 0.6466913291532127
Energy: 0.4445042261017019
Energy: 0.4300653504014272
Energy: 0.46284731062327916
Energy: 0.5007130878507428
Energy: 0.42584585212708875
Energy: 0.5502332972083797
Energy: 0.4463994731206862
Energy: 0.42094334146406204
Energy: 0.47333952510100796
Energy: 0.49474938317451034
Energy: 0.4212074927850064
Energy: 0.4814528195951825
Energy: 0.49653880311129717
Energy: 0.482737636442636
Energy: 0.47521615842916537
Energy: 0.49896031251295453
Energy: 0.4193850236673412
Energy: 0.4822008186989272
Energy: 0.44872966109611157
Energy: 0.44929684902762446
Energy: 0.48100816304356164
Energy: 0.4547337302529295
Energy: 0.4517935217780163
Energy: 0.5041834513400558
Energy: 0.5378745924921844
Energy: 0.4893930002784006
Energy: 0.4886521233788739
Energy: 0.4613965751280686
Energy: 0.5202573707864302
Energy: 0.5180077907840122
Energy: 0.4188032437818234
Energy: 0.45994768103007766
Energy: 0.4852972086032735
Energy: 0.4532186187127989
Energy: 0.4434250489438269
Energy: 0.5073273834125498
Energy: 0.44598810261324906
Energy: 0.43561700729542924
Energy: 0.48104407813984823
Energy: 0.48961449614379177
Energy: 0.44838223128748433
Energy: 0.5112864724762162
Energy: 0.48311300528566065
Energy: 0.47980836173081776
Energy: 0.45083267456624937
Energy: 0.4814936700561378
Energy: 0.4381361053716717
Energy: 0.5141069635788725
Energy: 0.455591227720062
Energy: 0.45719376734794215
Energy: 0.4611457741921049
Energy: 0.48522749903752954
Energy: 0.4554297117176875

minimum gb energy = 0.4188032437818234 eV
minimum distance =  2.75920056472483 Angstroms
sigma value = 9


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

Energy: 0.7744379928917609
Energy: 0.4805050176514252
Energy: 0.635373047041957
Energy: 0.45041390768003814
Energy: 0.6302095735762895
Energy: 0.4523867319873699
Energy: 0.4545236666516937
Energy: 0.43383898980353675
Energy: 0.4230352205276207
Energy: 0.3983589144540478
Energy: 0.431896018335709
Energy: 0.40991252409727574
Energy: 0.4395642073428144
Energy: 0.4212978437436973
Energy: 0.4281288734948127
Energy: 0.41009741602579763
Energy: 0.4196962007688995
Energy: 0.4183230102335855
Energy: 0.5408793203071935
Energy: 0.39283718548184476
Energy: 0.3963648276505691
Energy: 0.40528412874216385
Energy: 0.4257275068883925
Energy: 0.3949937213114545
Energy: 0.46626585775819773
Energy: 0.3990027771632952
Energy: 0.42625436181715065
Energy: 0.4198096914541719
Energy: 0.39901442558588024
Energy: 0.39935103455638177
Energy: 0.44363959947883097
Energy: 0.40245917404560333
Energy: 0.40778092205095917
Energy: 0.42088179877718274
Energy: 0.40948925642294204
Energy: 0.44006445153061635
Energy: 0.41956373421251075
Energy: 0.3826544903986701
Energy: 0.38717570336256585
Energy: 0.417037692903888
Energy: 0.39269145725680055
Energy: 0.4258493825049429
Energy: 0.4173290870947841
Energy: 0.41960832111325913
Energy: 0.39065112155569115
Energy: 0.4152787942497544
Energy: 0.4124331762693649
Energy: 0.42112709717541336
Energy: 0.4489784457748392
Energy: 0.40349529932146133
Energy: 0.42711631444381454
Energy: 0.4116883654199459
Energy: 0.4001876311462997
Energy: 0.41044663268194814
Energy: 0.6184958698324322
Energy: 0.423944621690447
Energy: 0.4114590900829422
Energy: 0.3895660244918079
Energy: 0.4410612369145075
Energy: 0.41376529546278806
Energy: 0.41400059317046434
Energy: 0.4285968446379026
Energy: 0.42385685416761365
Energy: 0.39257221185780283
Energy: 0.425324800999911
Energy: 0.4253425505335541
Energy: 0.46704299228585583
Energy: 0.4229917846051818
Energy: 0.42820110026408137
Energy: 0.3898132319693536
Energy: 0.4246382482791562
Energy: 0.38327328670590616
Energy: 0.69035925474354
Energy: 0.4209491349499733
Energy: 0.40450091204575345
Energy: 0.4296755812035152
Energy: 0.4178297233515493
Energy: 0.43627368699381724
Energy: 0.4655290196186965
Energy: 0.4187012330546451
Energy: 0.43004904792575327
Energy: 0.3885402406637767
Energy: 0.4314417485870072
Energy: 0.40924933902694727
Energy: 0.4279947638177936
Energy: 0.41628388879326617
Energy: 0.41439182220723886
Energy: 0.42673156881319674
Energy: 0.41781127374062005
Energy: 0.41959893580348845
Energy: 0.41757347611226636
Energy: 0.41974620682437563
Energy: 0.40861702110477793
Energy: 0.41899733950525686
Energy: 0.4088674671766626
Energy: 0.4198704326401818
Energy: 0.44419936411726496
Energy: 0.39143016993781427
Energy: 0.377222263873582
Energy: 0.42806303789423755
Energy: 0.39736577124867056
Energy: 0.3991175433845415
Energy: 0.44896500167324604
Energy: 0.40715738936371026
Energy: 0.4180003706091296
Energy: 0.42565240668914717
Energy: 0.42609364504352115
Energy: 0.41248480271275156
Energy: 0.44956299492053947
Energy: 0.39770017416531683
Energy: 0.4025072267194145
Energy: 0.422772858083172
Energy: 0.41575629864318564
Energy: 0.4209990732726043
Energy: 0.43255378823398194
Energy: 0.4168419913442562
Energy: 0.4144780800164134
Energy: 0.4089124685898393
Energy: 0.41112948884053485
Energy: 0.39905198514931184
Energy: 0.46241179361943874
Energy: 0.42684532318494217
Energy: 0.42615754389539995
Energy: 0.4162090297657432
Energy: 0.42873570975396064
Energy: 0.4130566645306613
Energy: 0.45532169817907675
Energy: 0.4259591547778074
Energy: 0.42702036911990865
Energy: 0.3987688304732399
Energy: 0.4262078735842666
Energy: 0.40338850193268244
Energy: 0.46185885448649266
Energy: 0.4225606772640043
Energy: 0.40269264959349516
Energy: 0.4006916281185473
Energy: 0.42828045070872545
Energy: 0.38833533662452985
Energy: 0.4565403555020729
Energy: 0.42314401070854424
Energy: 0.42678734005666796
Energy: 0.4147422036483985
Energy: 0.4179404117984642
Energy: 0.4245598695307427
Energy: 0.5316319844938201
Energy: 0.39631672524523864
Energy: 0.4731316183750691
Energy: 0.47612274787506975
Energy: 0.4278323620981874
Energy: 0.4188939089375588
Energy: 0.46041967833858444
Energy: 0.39395726618685367
Energy: 0.3883511226385222
Energy: 0.4126782449730921
Energy: 0.38802992222996474
Energy: 0.4134523414703763
Energy: 0.5343165513994024
Energy: 0.5137194362179479
Energy: 0.4150287643139176
Energy: 0.5606699379420197
Energy: 0.5075276736961025
Energy: 0.4049887571171391
Energy: 0.4228085973401024
Energy: 0.3891476385585461
Energy: 0.38695147068947683
Energy: 0.42232718454674
Energy: 0.3902466341792217
Energy: 0.4329624247860059
Energy: 0.4247166283468831
Energy: 0.40477711307293923
Energy: 0.42835292041554374
Energy: 0.42533840853548244
Energy: 0.40040873033642976
Energy: 0.43139367277153584
Energy: 0.4106674592513596
Energy: 0.42558960225950604
Energy: 0.3961994527739004
Energy: 0.4223510218402078
Energy: 0.41695921549789516
Energy: 0.4106015944911221
Energy: 0.4183734249883635
Energy: 0.4062775861356575
Energy: 0.4214416507432764
Energy: 0.39864215572771833
Energy: 0.40262439331878885
Energy: 0.42545327713192577
Energy: 0.6120793456698601
Energy: 0.4175381867986492
Energy: 0.42835855472219514
Energy: 0.3922469611884351
Energy: 0.4103027491032662
Energy: 0.4175815161537546
Energy: 0.5193895105649219
Energy: 0.4226882964819656
Energy: 0.42087914915564706
Energy: 0.4119603009657142
Energy: 0.4186252448591573
Energy: 0.4066016623390913
Energy: 0.5327587002570751
Energy: 0.4216060721250483
Energy: 0.4229217705472698
Energy: 0.4042370427141388
Energy: 0.422546742888817
Energy: 0.4075220083830429
Energy: 0.4410662744698977
Energy: 0.42707579215299485
Energy: 0.4124652045003028
Energy: 0.3975232655531742
Energy: 0.4216454161964219
Energy: 0.4147607790726017
Energy: 0.499302706957168
Energy: 0.41461522742708184
Energy: 0.4244021550018253
Energy: 0.42462563736341746
Energy: 0.414189814539733
Energy: 0.3998087189899081
Energy: 0.41342733368035767
Energy: 0.4078681867320146
Energy: 0.4237282762884025
Energy: 0.4146741357561162
Energy: 0.4055595162708577
Energy: 0.419834620895064
Energy: 0.4297496616014283
Energy: 0.40252785293080545
Energy: 0.40492713987000606
Energy: 0.4313865910561044
Energy: 0.4011575395924653
Energy: 0.41061672896979157
Energy: 0.45314713659471156
Energy: 0.47828227883863395
Energy: 0.47819105754472224
Energy: 0.42516042056760806
Energy: 0.47776380867827145
Energy: 0.4546051860902887
Energy: 0.45493685409872103
Energy: 0.40643777539765863
Energy: 0.40403501580807816
Energy: 0.43436417082398976
Energy: 0.4022306984979759
Energy: 0.4058390306450319
Energy: 0.4302321151336956
Energy: 0.3954732311308204
Energy: 0.41233033040816675
Energy: 0.41164723723449115
Energy: 0.4118341605857212
Energy: 0.4142872203729219
Energy: 0.455636375574655
Energy: 0.4229642257638346
Energy: 0.4228906769686051
Energy: 0.42357550705531033
Energy: 0.41709892075615984
Energy: 0.41182147697815025
Energy: 0.4659972367370836
Energy: 0.419991271682574
Energy: 0.4339731614804568
Energy: 0.3973043529669781
Energy: 0.4216763624021142
Energy: 0.38648852450158755

minimum gb energy = 0.377222263873582 eV
minimum distance =  2.75604054232438 Angstroms
sigma value = 57


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

Energy: 0.2878946128780901
Energy: 0.276615852778736
Energy: 0.21390206038985785
Energy: 0.17933783828861485
Energy: 0.3378876677986774
Energy: 0.2975414157263841
Energy: 0.2041922466405295
Energy: 0.3359637470283785
Energy: 0.3111420424046928
Energy: 0.3701415559448697
Energy: 0.36250162001947506
Energy: 0.322613443197638
Energy: 0.4274649981344141
Energy: 0.3978451370079024
Energy: 0.40404462952687176
Energy: 0.35672658392405676
Energy: 0.3735067939693555
Energy: 0.40902575969536875
Energy: 0.4150226940508796
Energy: 0.38391530844165467
Energy: 0.4018422053708181
Energy: 0.37882682635561377
Energy: 0.3960495573950812
Energy: 0.40930579197045225
Energy: 0.4040575001108292
Energy: 0.23587650228999152
Energy: 0.24220650888481007
Energy: 0.4087182185231909
Energy: 0.18050886179083403
Energy: 0.42261733352508457
Energy: 0.41236751784674597
Energy: 0.23635823091220665
Energy: 0.25997995878225005
Energy: 0.402857122686506
Energy: 0.18251400386057204
Energy: 0.2037412086332827
Energy: 0.3759323945205996
Energy: 0.3830599796188731
Energy: 0.38346056133999606
Energy: 0.37732425991240615
Energy: 0.37754118359551964
Energy: 0.42973756746996966
Energy: 0.4036729896706839
Energy: 0.4089456608852396
Energy: 0.4122253418133624
Energy: 0.40180540622951577
Energy: 0.42204826393770944
Energy: 0.41002823419117207
Energy: 0.4216533420068438
Energy: 0.40156186767427393
Energy: 0.41002825206740706
Energy: 0.39899468040035113
Energy: 0.4070105250463388
Energy: 0.4140168167237972
Energy: 0.18312175546192955
Energy: 0.41388972543655617
Energy: 0.2037050129312947
Energy: 0.18297079124033871
Energy: 0.41611144446401377
Energy: 0.21265228467868147
Energy: 0.1887070287567105
Energy: 0.4046840539008728
Energy: 0.40909087801776656
Energy: 0.18873392414365664
Energy: 0.4044014171437838
Energy: 0.21729546083769608
Energy: 0.42443842479247523
Energy: 0.4074829826442885
Energy: 0.41627254321791596
Energy: 0.39325313916514126
Energy: 0.39874430659426646
Energy: 0.3985970896794867
Energy: 0.4582859675362185
Energy: 0.39870529067122085
Energy: 0.42535226256942676
Energy: 0.4407518679621696
Energy: 0.43455296954215733
Energy: 0.43316982771264506
Energy: 0.4019401406758003
Energy: 0.3768141270629529
Energy: 0.38386902254047395
Energy: 0.40246336023760637
Energy: 0.3755461306893151
Energy: 0.4242059275583644
Energy: 0.4353265899762143
Energy: 0.1839608169089946
Energy: 0.18869128187907833
Energy: 0.4125718404054939
Energy: 0.23524445209299058
Energy: 0.2513614994287962
Energy: 0.3810641817232501
Energy: 0.3846832569945054
Energy: 0.42659755794718657
Energy: 0.3802155187096088
Energy: 0.23649866713475703
Energy: 0.38178145655213686
Energy: 0.39264311170689037
Energy: 0.3829236733077961
Energy: 0.394598598590306
Energy: 0.40110543985728003
Energy: 0.3935440393472166
Energy: 0.40932531999577104
Energy: 0.41869999666067725
Energy: 0.4137597891098515
Energy: 0.35847057979885194
Energy: 0.33176943490436595
Energy: 0.36726559639277084
Energy: 0.38719563440155375
Energy: 0.28885716195003014
Energy: 0.33444151126331306
Energy: 0.31007883415457793
Energy: 0.1825721424991873
Energy: 0.37790421973506255
Energy: 0.32443358529668553

minimum gb energy = 0.17933783828861485 eV
minimum distance =  2.75172442039723 Angstroms
sigma value = 11


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

Energy: 0.6206502982540467
Energy: 0.3165880915679294
Energy: 0.5047066746452579
Energy: 0.5536317530761907
Energy: 0.42087229490575134
Energy: 0.36996587214049775
Energy: 0.3204380979931328
Energy: 0.330739089691842
Energy: 0.3392893339769708
Energy: 0.32006027310458013
Energy: 0.3117960058996354
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Energy: 0.3419639814801963
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Energy: 0.32295334820122323
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Energy: 0.3440911505468426
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Energy: 0.3430452398950283
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Energy: 0.4882618530304429
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Energy: 0.3223458172207939
Energy: 0.33879951587590573
Energy: 0.37271257404564834
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Energy: 0.4283922323200588
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Energy: 0.3580862350702537
Energy: 0.36666337179690084
Energy: 0.3217777200060198
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Energy: 0.37512714919833956
Energy: 0.4786647897829816
Energy: 0.34298129459646626
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Energy: 0.31058485102931654
Energy: 0.3395031924723937
Energy: 0.35685216653262064
Energy: 0.3989442191534744
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Energy: 0.364151902207458
Energy: 0.389345503462146
Energy: 0.44323124438982303
Energy: 0.3663578037584117
Energy: 0.47808755219055377
Energy: 0.35315948819577914
Energy: 0.3587840773252801
Energy: 0.36454062200897375
Energy: 0.36010698142577946
Energy: 0.34673461175932624
Energy: 0.5198759811915559
Energy: 0.5569251984493998
Energy: 0.47815971265939206
Energy: 0.5196470930992896
Energy: 0.4769945309675062
Energy: 0.36084316980706377
Energy: 0.31121832939503613
Energy: 0.3509939758442565
Energy: 0.35667100983820793
Energy: 0.30933571428261786
Energy: 0.3403982038586954
Energy: 0.34818068340358865
Energy: 0.3567722846976343
Energy: 0.39058323242846155
Energy: 0.3630764569272689
Energy: 0.3591681018791519
Energy: 0.3850626092287188
Energy: 0.36138721676948826
Energy: 0.3490805127213066
Energy: 0.31704917041129765
Energy: 0.33714310696230904
Energy: 0.3482933313975031
Energy: 0.31424100245086845
Energy: 0.36141006593270325
Energy: 0.6060891109817339
Energy: 0.33941460590767425
Energy: 0.3229637958987637
Energy: 0.41983263000205323
Energy: 0.3272070593769081
Energy: 0.31343778804669614

minimum gb energy = 0.3028607180454962 eV
minimum distance =  2.76342806320145 Angstroms
sigma value = 41


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

Energy: 0.604799386508591
Energy: 0.3488632340921237
Energy: 0.34799340060357564
Energy: 0.47449843927501495
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Energy: 0.3948864475059112
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Energy: 0.3922367905885346
Energy: 0.39520969230161435
Energy: 0.38166062405156054
Energy: 0.34339680659998645
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Energy: 0.3369450009753224
Energy: 0.34144609676888954
Energy: 0.3500264833905116
Energy: 0.3947236727701374
Energy: 0.40340188252201614
Energy: 0.4076836761757557
Energy: 0.3821513144920016
Energy: 0.404922160310144
Energy: 0.3704807582455205
Energy: 0.3866538968932462
Energy: 0.34722846977127997
Energy: 0.3495885234686922
Energy: 0.3579251783905909
Energy: 0.3443475753865292
Energy: 0.3552458578525622
Energy: 0.4664225887926167
Energy: 0.3491305058703593
Energy: 0.3571746875656131
Energy: 0.44026904263542144
Energy: 0.34540391632141026
Energy: 0.34840613042485813
Energy: 0.47616636173376115
Energy: 0.3974720432348895
Energy: 0.4165486194332821
Energy: 0.444103306186224
Energy: 0.3976186573781036
Energy: 0.35192880873001203
Energy: 0.4424152547835371
Energy: 0.34562026873275126
Energy: 0.3607082576646332
Energy: 0.35737501751431777
Energy: 0.34241986848863704
Energy: 0.35723615339974546
Energy: 0.40031916823243724
Energy: 0.47110637276720363
Energy: 0.47072925511459124
Energy: 0.4058205493601528
Energy: 0.4680848531353771
Energy: 0.47135125676523065
Energy: 0.3821442963706712
Energy: 0.381379897447165
Energy: 0.38826324648419575
Energy: 0.386503810529675
Energy: 0.38203114013724276
Energy: 0.3884519466770569
Energy: 0.41003571893685686
Energy: 0.43293695325577924
Energy: 0.4040399006748282
Energy: 0.411667764098178
Energy: 0.4400133489584474
Energy: 0.40647444835620405
Energy: 0.4014804792147871
Energy: 0.34676407500680895
Energy: 0.3697507641371588
Energy: 0.39666864002332464
Energy: 0.34335281910280213
Energy: 0.35609199598420094
Energy: 0.5595832505674002
Energy: 0.3608589912151976
Energy: 0.3480617833320316
Energy: 0.46618492757409064
Energy: 0.33482444401050226
Energy: 0.3763725901490402

minimum gb energy = 0.32760088723032765 eV
minimum distance =  2.73058949462456 Angstroms
sigma value = 33


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

Energy: 0.4600847695276841
Energy: 0.565901129376382
Energy: 0.5703546873127164
Energy: 0.460319333686411
Energy: 0.7082685186714788
Energy: 0.5775600553335244
Energy: 0.3930856410200599
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Energy: 0.3772304661877259
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Energy: 0.37623041070614954
Energy: 0.37889139348970485
Energy: 0.38298911715780126
Energy: 0.3627052494175478
Energy: 0.3732716980117883
Energy: 0.3779225355723646
Energy: 0.7119847544688465
Energy: 0.47826051256184915
Energy: 0.5619381846857285
Energy: 0.3436259746077868
Energy: 0.47392788378204537
Energy: 0.5702674883992767

minimum gb energy = 0.3436259746077868 eV
minimum distance =  2.74876428937578 Angstroms
sigma value = 67


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

Energy: 0.5420303017553051
Energy: 0.4100167066110559
Energy: 0.4142616349235576
Energy: 0.5398196442701749
Energy: 0.6125590658603381
Energy: 0.4261500782931346
Energy: 0.4538144639765824
Energy: 0.3743561696693164
Energy: 0.37264403255324974
Energy: 0.3857525627610794
Energy: 0.393407337041796
Energy: 0.3711237604656533
Energy: 0.4469388975438473
Energy: 0.38284051935217306
Energy: 0.3971430560983059
Energy: 0.39711403057631445
Energy: 0.38297311871713985
Energy: 0.39735371993729457
Energy: 0.4150945676515875
Energy: 0.39072576647443524
Energy: 0.3860166948034775
Energy: 0.4164999766886537
Energy: 0.3870971446685778
Energy: 0.38754880343239156
Energy: 0.39384000685712817
Energy: 0.3836027802359151
Energy: 0.3825740122255752
Energy: 0.3969026579562846
Energy: 0.3904726041751768
Energy: 0.3805165251233567
Energy: 0.4018236693335922
Energy: 0.3759336875360479
Energy: 0.38369890018197855
Energy: 0.39955720732295724
Energy: 0.38867760410238406
Energy: 0.38399306421005674
Energy: 0.4516510940027983
Energy: 0.38387312199139156
Energy: 0.38094901053250313
Energy: 0.431856802166591
Energy: 0.39767583499415166
Energy: 0.3819431808246347

minimum gb energy = 0.3711237604656533 eV
minimum distance =  2.81057210282845 Angstroms
sigma value = 3


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

Energy: 0.7167781724786051
Energy: 0.4792681909252206
Energy: 0.4341085719585281
Energy: 0.4156188562425136
Energy: 0.6723877509737839
Energy: 0.4387306635918411
Energy: 0.4387306635918411
Energy: 0.46404886012254043
Energy: 0.41592109206574146
Energy: 0.4368338629679651
Energy: 0.44316410024033187
Energy: 0.4192096648767084
Energy: 0.45860032398177575
Energy: 0.4269028976416886
Energy: 0.4245138201828092
Energy: 0.49813741639525966
Energy: 0.4361835195534773
Energy: 0.4104212155474988
Energy: 0.40408204488818167
Energy: 0.4179330346365634
Energy: 0.4179880913186898
Energy: 0.4040503617979699
Energy: 0.42524880195103826
Energy: 0.41217108668261027
Energy: 0.41615698582601207
Energy: 0.44210171499874884
Energy: 0.44288464983125614
Energy: 0.4143593143744339
Energy: 0.45039203796722516
Energy: 0.4356241769065905
Energy: 0.4728653081931924
Energy: 0.4441213115931389
Energy: 0.43981819677880896
Energy: 0.4308199802033131
Energy: 0.45362251835256756
Energy: 0.4409914436580241
Energy: 0.40480806330932495
Energy: 0.4530313134167886
Energy: 0.45229469340017536
Energy: 0.43004248781572973
Energy: 0.4573301168690176
Energy: 0.4295040754380975
Energy: 0.6691436486248432
Energy: 0.4650041347643773
Energy: 0.4225257665996601
Energy: 0.41087566795054575
Energy: 0.5152770108163056
Energy: 0.4240781892558598
Energy: 0.40666547520221863
Energy: 0.4112292554955659
Energy: 0.4376040660307521
Energy: 0.41046009255655513
Energy: 0.4180799182635746
Energy: 0.4150165870285992
Energy: 0.4670299440398697
Energy: 0.40896998651570554
Energy: 0.4072557000741572
Energy: 0.4675364100500039
Energy: 0.40497772417626515
Energy: 0.436296110992802
Energy: 0.421850770298734
Energy: 0.4354523533396909
Energy: 0.46435961970680417
Energy: 0.422877942968479
Energy: 0.4166192748722601
Energy: 0.4641261860405769
Energy: 0.47173359689770256
Energy: 0.4196047615616494
Energy: 0.4247842254377693
Energy: 0.47786886688597924
Energy: 0.4600244379597081
Energy: 0.43581723518502696
Energy: 0.46928772058774143
Energy: 0.4232677359650525
Energy: 0.4283831922247295
Energy: 0.46705194113111004
Energy: 0.42354340179009614
Energy: 0.4195518490267226
Energy: 0.42671321299240755
Energy: 0.4072223061309833
Energy: 0.4107460915945688
Energy: 0.47087527435064724
Energy: 0.404118321728636
Energy: 0.4183843563337971
Energy: 0.5808535056515264
Energy: 0.429591310287829
Energy: 0.47291476200468485
Energy: 0.46728864788969887
Energy: 0.42548109457285815
Energy: 0.4219983787221214
Energy: 0.4747262445027951
Energy: 0.40878923663547106
Energy: 0.4134015059413476
Energy: 0.4381689143441876
Energy: 0.4052119289841795
Energy: 0.4190657392948803
Energy: 0.5420154418877683
Energy: 0.42812138225685986
Energy: 0.42465098184107064
Energy: 0.5397283356366687
Energy: 0.43100372714869634
Energy: 0.48700981730320864
Energy: 0.4294809440331345
Energy: 0.43767116305768805
Energy: 0.44520670212709196
Energy: 0.4364019243648494
Energy: 0.4124961306309378
Energy: 0.4344058741995388
Energy: 0.45068151756642866
Energy: 0.4106958035998664
Energy: 0.41413731817459776
Energy: 0.44772917006029206
Energy: 0.41436435120534826
Energy: 0.4148137388872747
Energy: 0.4428725564694521
Energy: 0.41936948839039134
Energy: 0.421638853547718
Energy: 0.41131929856436267
Energy: 0.41604260934026477
Energy: 0.4164195915954624
Energy: 0.44317308672275724
Energy: 0.4372623815583363
Energy: 0.44441391630729565
Energy: 0.4465098240058168
Energy: 0.43598000979729234
Energy: 0.4492330601872905
Energy: 0.4597679090096253
Energy: 0.49921757865728145
Energy: 0.4466295811853914
Energy: 0.46443152019556666
Energy: 0.5197113539455142
Energy: 0.4386902441232042
Energy: 0.426592693103365
Energy: 0.42994992949095884
Energy: 0.4378506752703141
Energy: 0.4226535900315832
Energy: 0.4453002878235767
Energy: 0.43691864171959904
Energy: 0.41656464970405105
Energy: 0.4256030763780991
Energy: 0.4171744575741352
Energy: 0.41787433877397867
Energy: 0.41060277154216035
Energy: 0.42628981757893153
Energy: 0.40575500965217715
Energy: 0.4226814098660662
Energy: 0.4143565663841176
Energy: 0.43552918216022996
Energy: 0.411041901571184
Energy: 0.4138172591683273
Energy: 0.517275623202087
Energy: 0.44887738797982507
Energy: 0.44737630990270916
Energy: 0.414655123957073
Energy: 0.4517348859860258
Energy: 0.43514338337478375
Energy: 0.4009409775765533
Energy: 0.4515184205366952
Energy: 0.43706358225997277
Energy: 0.41914180551013075
Energy: 0.4541768828534435
Energy: 0.4476310926014307
Energy: 0.40556647845091964
Energy: 0.4221758283180647
Energy: 0.4129725333386948
Energy: 0.41889031219046996
Energy: 0.41903150311804954
Energy: 0.4123211460924512
Energy: 0.4122958542669199
Energy: 0.41030264811910505
Energy: 0.42005879621912445
Energy: 0.41529589183360455
Energy: 0.41144392994029877
Energy: 0.41821046358472913
Energy: 0.40617135380247743
Energy: 0.435732035811188
Energy: 0.42722710666253016
Energy: 0.40584742631090165
Energy: 0.43329313142378917
Energy: 0.41589340868063646
Energy: 0.4271379193119942
Energy: 0.41818911938966574
Energy: 0.45656510495931196
Energy: 0.42823412057192917
Energy: 0.5500675304175641
Energy: 0.4572086859022438
Energy: 0.4126848474800953
Energy: 0.4589419994133243
Energy: 0.43695308722539666
Energy: 0.4439661730837288
Energy: 0.4696115765706063
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Energy: 0.4620278388829522
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Energy: 0.45104729136934685
Energy: 0.4098419230667609
Energy: 0.4553085468940533
Energy: 0.42291648481772226
Energy: 0.4326977022438832
Energy: 0.41705087131493607
Energy: 0.4434948411350391
Energy: 0.4090136165303799
Energy: 0.4495682293406039
Energy: 0.44333760529436644
Energy: 0.4214691254692623
Energy: 0.46661178980119966
Energy: 0.44316469073745335
Energy: 0.4207810025646993
Energy: 0.41257108731669845
Energy: 0.4335067596668547
Energy: 0.45427095728634154
Energy: 0.4142095117508142
Energy: 0.40857586116369443
Energy: 0.45589303194245
Energy: 0.40718522377418886
Energy: 0.4371235826606046
Energy: 0.4620551628615714
Energy: 0.4109100609828001
Energy: 0.41299276693923986
Energy: 0.4625088812485871
Energy: 0.4177743132450005
Energy: 0.4362124598066981
Energy: 0.5447047068476217
Energy: 0.42490805512513125
Energy: 0.4265331464192804
Energy: 0.5325143537479005
Energy: 0.4204231667774173
Energy: 0.4379837596060518
Energy: 0.4681001996704047
Energy: 0.4120545229857339
Energy: 0.4120933645857829
Energy: 0.46729909445829465
Energy: 0.4094358919190942
Energy: 0.4215179990335591
Energy: 0.5763478994369465
Energy: 0.4108674486655878
Energy: 0.41723922201429664
Energy: 0.45559068932692287
Energy: 0.411487750335397
Energy: 0.4113891427034242
Energy: 0.4409747800615874
Energy: 0.40816988874092264
Energy: 0.41254142767915025
Energy: 0.44090269421772577
Energy: 0.40447360767812884
Energy: 0.4177450035324617
Energy: 0.5919712016261451
Energy: 0.42746629316867063
Energy: 0.4418653398371969
Energy: 0.46632527648322
Energy: 0.4118627057565005
Energy: 0.45702043109035106
Energy: 0.5627427907227206
Energy: 0.4261749250314664
Energy: 0.4315764134366655
Energy: 0.5459535379177244
Energy: 0.43062116137073486
Energy: 0.44699061747005603
Energy: 0.43779866719140104
Energy: 0.4070691417132851
Energy: 0.4101847537412042
Energy: 0.4116588875362715
Energy: 0.4042110622672118
Energy: 0.4166718080043324
Energy: 0.6241223400865477
Energy: 0.4201890077240023
Energy: 0.41048472002786374
Energy: 0.42788508645842815
Energy: 0.41937791571208316
Energy: 0.414631783084112
Energy: 0.4266384612343094
Energy: 0.42638103587354376
Energy: 0.4350772570262708
Energy: 0.438859091586491
Energy: 0.4200711890759209
Energy: 0.43049045440774775
Energy: 0.5151840501898154
Energy: 0.4498489915914335
Energy: 0.4376865146418443
Energy: 0.4612294698798962
Energy: 0.4571570081628218
Energy: 0.46614995318363106
Energy: 0.4381970382687284
Energy: 0.4400581178096973
Energy: 0.4369439912002793
Energy: 0.4359152246154301
Energy: 0.45273463486412197
Energy: 0.4365235312129673
Energy: 0.4161043211168444
Energy: 0.4110483116522763
Energy: 0.4422255454094055
Energy: 0.4153126245101444
Energy: 0.40746784758214827
Energy: 0.422959195087309
Energy: 0.4124618060975035
Energy: 0.41507474114026416
Energy: 0.4186811364653567
Energy: 0.40730276078495287
Energy: 0.4093320861192852
Energy: 0.41331982829047936
Energy: 0.40161007939956533
Energy: 0.44292988321775106
Energy: 0.4350111527877082
Energy: 0.4424431335536496
Energy: 0.42399614837142013
Energy: 0.4119110366120794

minimum gb energy = 0.4009409775765533 eV
minimum distance =  2.78051703627688 Angstroms
sigma value = 81


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

Energy: 0.734573616772953
Energy: 0.38403394053104806
Energy: 0.38396186195691295
Energy: 0.38189778015284304
Energy: 0.6185836487643718
Energy: 0.3866120691108237
Energy: 0.3866120691108237
Energy: 0.41449260167288815
Energy: 0.40741313318279637
Energy: 0.39337910960759975
Energy: 0.39659170702336227
Energy: 0.4071933555185272
Energy: 0.42546901200101644
Energy: 0.41517088090709875
Energy: 0.4201728390009199
Energy: 0.40627546509129164
Energy: 0.390013926161064
Energy: 0.4180916736585862
Energy: 0.3908901799004529
Energy: 0.39532954888857835
Energy: 0.41084562270860125
Energy: 0.38902059213927576
Energy: 0.38678829886680743
Energy: 0.40742867666076027
Energy: 0.39262579021867894
Energy: 0.41179235531859976
Energy: 0.4116595048352034
Energy: 0.3882644765107374
Energy: 0.4245083587547514
Energy: 0.40793939542861984
Energy: 0.41693811660354596
Energy: 0.40872889866973716
Energy: 0.4104266912413268
Energy: 0.4056741361720674
Energy: 0.4106846671841799
Energy: 0.4088943694409858
Energy: 0.3870363539248597
Energy: 0.40479949805265586
Energy: 0.41282281296425444
Energy: 0.3909203202525191
Energy: 0.39438267758570467
Energy: 0.410628507529481
Energy: 0.6094044255578293
Energy: 0.47050918906843603
Energy: 0.4348675305144339
Energy: 0.4192423129006689
Energy: 0.4691030669573086
Energy: 0.4449822293496344
Energy: 0.3865040598043936
Energy: 0.4019670001235824
Energy: 0.406065635343797
Energy: 0.390505840420991
Energy: 0.39343328107278724
Energy: 0.4041371204351622
Energy: 0.4300001918101798
Energy: 0.38506678621033585
Energy: 0.3844921182970379
Energy: 0.41402281318094114
Energy: 0.39457034813458236
Energy: 0.3852328139588987
Energy: 0.4027978976391509
Energy: 0.38394571726476656
Energy: 0.37664497531383817
Energy: 0.40019213150612004
Energy: 0.3858502321938497
Energy: 0.4129415041244865
Energy: 0.41097078418437333
Energy: 0.40603762428453555
Energy: 0.409328353874213
Energy: 0.38386020995644443
Energy: 0.4032234103824372
Energy: 0.4072640227589742
Energy: 0.41119860809584796
Energy: 0.392545318182065
Energy: 0.4084365411226248
Energy: 0.3873933049925151
Energy: 0.3941717856624445
Energy: 0.4338435449527066
Energy: 0.3948586471008157
Energy: 0.3952909439068494
Energy: 0.40604440277876347
Energy: 0.3968505027738421
Energy: 0.3901199383078141
Energy: 0.4083274518074833
Energy: 0.4173456411406101
Energy: 0.4418627838872303
Energy: 0.41359297367179304
Energy: 0.4305837883013978
Energy: 0.44568084648590134
Energy: 0.4099895723071752
Energy: 0.39296979750382055
Energy: 0.4063254993861178
Energy: 0.40735490356417076
Energy: 0.3932692526865613
Energy: 0.4015077100884724
Energy: 0.4127896469059283
Energy: 0.4723175982071891
Energy: 0.4115037187359572
Energy: 0.41507857287118555
Energy: 0.4693622818846671
Energy: 0.40449061263192876
Energy: 0.41028653012743016
Energy: 0.3969820501526529
Energy: 0.40754328645310645
Energy: 0.4080914629850238
Energy: 0.39362520627688075
Energy: 0.3930498920741749
Energy: 0.4058470427255154
Energy: 0.3825812059935585
Energy: 0.4180273029905951
Energy: 0.3795074873241053
Energy: 0.38970084718956943
Energy: 0.40114426163635697
Energy: 0.3816862592134856
Energy: 0.38119806981466486
Energy: 0.42108451752154086
Energy: 0.38457637784285725
Energy: 0.40347712594426843
Energy: 0.40697618591389007
Energy: 0.3825457908303561
Energy: 0.39274591887397237
Energy: 0.40701783167372463
Energy: 0.4082518002213386
Energy: 0.3963313867741332
Energy: 0.3972592348176671
Energy: 0.40599595463704213
Energy: 0.40487555341595727
Energy: 0.49621955031457277
Energy: 0.4922631742842889
Energy: 0.3936056141087663
Energy: 0.4988049646146174
Energy: 0.4639418803853839
Energy: 0.38498589259280286
Energy: 0.4110624423655329
Energy: 0.41225570132339906
Energy: 0.3858227001784306
Energy: 0.40027212292222447
Energy: 0.3963336180291208
Energy: 0.4076688862027294
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Energy: 0.40823922742769764
Energy: 0.41079190353999595
Energy: 0.4117835786825121
Energy: 0.410944562636602
Energy: 0.38970835399062087
Energy: 0.40945022127539704
Energy: 0.4107164156847389
Energy: 0.39446084186783126
Energy: 0.4001118296546852
Energy: 0.4101995394279222
Energy: 0.3935329997079698
Energy: 0.43559044444333184
Energy: 0.4355049541051498
Energy: 0.40536355064619345
Energy: 0.47350368175990953
Energy: 0.4166731164582322
Energy: 0.3986618535047249
Energy: 0.4090195725169574
Energy: 0.41655570758129107
Energy: 0.42122056831096677
Energy: 0.4189217336622012
Energy: 0.4097121907621934
Energy: 0.39104120389241714
Energy: 0.38689726399526075
Energy: 0.38689726399526075
Energy: 0.3987844720921208
Energy: 0.3925705763120582
Energy: 0.4106048980108075
Energy: 0.43886567656774156
Energy: 0.39201307838294513
Energy: 0.3870652329378471
Energy: 0.43827426317520124
Energy: 0.39633747238359096
Energy: 0.38256671476027115
Energy: 0.3933673986333136
Energy: 0.40409456144618444
Energy: 0.4101832459410608
Energy: 0.39135160909825567
Energy: 0.3931475364582993
Energy: 0.4110944710897978
Energy: 0.4902305457713266
Energy: 0.4394922143077828
Energy: 0.43928402619643137
Energy: 0.38693459559110277
Energy: 0.4415269152694976
Energy: 0.43390301189909386
Energy: 0.39386359995687525
Energy: 0.3907310840987779
Energy: 0.3901949228126327
Energy: 0.39889146923541896
Energy: 0.3874652039834107
Energy: 0.41270737329893686
Energy: 0.396695658333963
Energy: 0.4116059220014625
Energy: 0.406732553760058
Energy: 0.4173511089185209
Energy: 0.394468846315805
Energy: 0.4082677936236689
Energy: 0.3964777775159464
Energy: 0.4071015465111976
Energy: 0.4118578842953358
Energy: 0.3970747720533577
Energy: 0.4152079138393684
Energy: 0.4066647859980968
Energy: 0.39840215529142375
Energy: 0.41413050350109926
Energy: 0.4151191154352727
Energy: 0.39819014877714115
Energy: 0.40583410277141513
Energy: 0.4085600442202323
Energy: 0.4693646873223233
Energy: 0.4269720434985631
Energy: 0.41211851528406435
Energy: 0.46627800802906044
Energy: 0.4112612602109663
Energy: 0.43364374874059897
Energy: 0.38782526021943814
Energy: 0.41441831970549614
Energy: 0.40387675786929506
Energy: 0.3921939971416925
Energy: 0.39337383717824614
Energy: 0.4054487600233584
Energy: 0.730838972293183
Energy: 0.730838972293183
Energy: 0.38300571818390006
Energy: 0.3965468021278596
Energy: 0.44182661535264994
Energy: 0.38529999404105697

minimum gb energy = 0.37664497531383817 eV
minimum distance =  2.79588140219419 Angstroms
sigma value = 43


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

Energy: 0.7752159880632508
Energy: 0.5120051766741843
Energy: 0.4614301838197399
Energy: 0.41472183751881686
Energy: 0.5583757378026012
Energy: 0.4202819111610539
Energy: 0.39782729800649574
Energy: 0.421859403675416
Energy: 0.4143960791555038
Energy: 0.4179825676448871
Energy: 0.40527958998217806
Energy: 0.42202886700861253
Energy: 0.40786877498763585
Energy: 0.3951800828165007
Energy: 0.3957209910502132
Energy: 0.4683820423824873
Energy: 0.3943188070070331
Energy: 0.4073654121974523
Energy: 0.404668107460359
Energy: 0.39635027792835126
Energy: 0.41325740966170577
Energy: 0.4052149615057215
Energy: 0.4039332370876934
Energy: 0.405377179245737
Energy: 0.42471819098224567
Energy: 0.44113655647118744
Energy: 0.4446513977912555
Energy: 0.4271575635666234
Energy: 0.4304939631802818
Energy: 0.43515011894886724
Energy: 0.42486030544161335
Energy: 0.4424111823497623
Energy: 0.43473860555780885
Energy: 0.42554752912998706
Energy: 0.411461014262386
Energy: 0.43377544663464274
Energy: 0.4123213877696727
Energy: 0.4119901667149251
Energy: 0.41114768066291657
Energy: 0.4130667293580275
Energy: 0.40870301986481916
Energy: 0.4162924594362631
Energy: 0.4455283456057917
Energy: 0.40549187660592406
Energy: 0.4042472624759901
Energy: 0.4008959648067135
Energy: 0.40472643911978734
Energy: 0.4054961275710599
Energy: 0.4437806678682184
Energy: 0.41295966453488575
Energy: 0.4132347702445451
Energy: 0.44500863720707207
Energy: 0.41444554493720404
Energy: 0.415450696535163
Energy: 0.5744799695421798
Energy: 0.40849803570968385
Energy: 0.43675936050353814
Energy: 0.5745069831042333
Energy: 0.4057220678819414
Energy: 0.4539472519497204
Energy: 0.41059355992291596
Energy: 0.405422884390622
Energy: 0.4216442029965434
Energy: 0.42368407542796505
Energy: 0.4231871897466572
Energy: 0.43050001207123934
Energy: 0.48279950480680045
Energy: 0.40652342620690113
Energy: 0.4060981803917275
Energy: 0.39962539837975647
Energy: 0.4047786273915817
Energy: 0.40574107155681305
Energy: 0.4169761122943052
Energy: 0.4046762015215146
Energy: 0.41268883770227116
Energy: 0.39912221491720884
Energy: 0.43870410316199127
Energy: 0.4157184566424002
Energy: 0.41061939500476297
Energy: 0.412016576061278
Energy: 0.4605985729634642
Energy: 0.4177878269189501
Energy: 0.4145120283289395
Energy: 0.4182502107161603
Energy: 0.4322601155986495
Energy: 0.4625645281402695
Energy: 0.4202721818694972
Energy: 0.41611491823318825
Energy: 0.4289126693886922
Energy: 0.42259318456759576
Energy: 0.4008541764219156
Energy: 0.45316003544985
Energy: 0.41706712496569187
Energy: 0.40029139678416203
Energy: 0.4408301674333
Energy: 0.39991067041853895
Energy: 0.4033496757521454
Energy: 0.40381915905598786
Energy: 0.40217528622393556
Energy: 0.4020598729055741
Energy: 0.4272391965028631
Energy: 0.403857001808159
Energy: 0.4026973213024113
Energy: 0.4201249441523071
Energy: 0.39950026187802196
Energy: 0.41621968063437
Energy: 0.4086670558487218
Energy: 0.40044188351127435
Energy: 0.44172664069649414
Energy: 0.402059204592036
Energy: 0.4017601184239338
Energy: 0.4113902251376808
Energy: 0.3989882871491108
Energy: 0.4116828971225175
Energy: 0.4426597467539613
Energy: 0.4011758663684408
Energy: 0.40067217421244683
Energy: 0.42270061763837197
Energy: 0.3996010398540719
Energy: 0.4048497946805631
Energy: 0.4011157931057517
Energy: 0.40661339476876646
Energy: 0.42187925483545485
Energy: 0.4151641145681541
Energy: 0.405705965471931
Energy: 0.40174803335220355
Energy: 0.49293512120664107
Energy: 0.41275762386762493
Energy: 0.41223725850934495
Energy: 0.49012340132253196
Energy: 0.39795504729426584
Energy: 0.4138584208685854
Energy: 0.47798712326076903
Energy: 0.40592814810917743
Energy: 0.4036917539757853
Energy: 0.4411632020609427
Energy: 0.4041717333887925
Energy: 0.4011683275223797
Energy: 0.46642724674311187
Energy: 0.40225268332378494
Energy: 0.4031222935723082
Energy: 0.4837306213326017
Energy: 0.4102972493434925
Energy: 0.4014841301749501
Energy: 0.4873175907225553
Energy: 0.40018931327897767
Energy: 0.39948453725960037
Energy: 0.4179585859692309
Energy: 0.4002254183509672
Energy: 0.4034084152876535
Energy: 0.4520983065916269
Energy: 0.4044380639965997
Energy: 0.41979178588379124
Energy: 0.4204795339594711
Energy: 0.40797481411217895
Energy: 0.41559714819298604
Energy: 0.46239341793538913
Energy: 0.4198623523248492
Energy: 0.4196160423085503
Energy: 0.4158767190452976
Energy: 0.4224892191680202
Energy: 0.4400310839687639
Energy: 0.44661560608139905
Energy: 0.41712026318824036
Energy: 0.4540651543594946
Energy: 0.40581480424990873
Energy: 0.42059193825080793
Energy: 0.4050730606544037
Energy: 0.4618347860285848
Energy: 0.4056534644685595
Energy: 0.4078831871867071
Energy: 0.4620120137595743
Energy: 0.4001511725390222
Energy: 0.40483437526740784
Energy: 0.4059099220429137
Energy: 0.4164506167761963
Energy: 0.43382845139467335
Energy: 0.41410250773817303
Energy: 0.4041900238730579
Energy: 0.41136292521970924
Energy: 0.39857259487529284
Energy: 0.39857259487529284
Energy: 0.4636862422580175
Energy: 0.41596605180981233
Energy: 0.52678223581592
Energy: 0.4590359599233888

minimum gb energy = 0.3943188070070331 eV
minimum distance =  2.72116219572427 Angstroms
sigma value = 57


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

Energy: 0.5795704976811049
Energy: 0.4920100873942422
Energy: 0.4953801787367812
Energy: 0.41245045041991546
Energy: 0.6391070110503885
Energy: 0.48834961506602703
Energy: 0.44774047303882386
Energy: 0.4425950451434511
Energy: 0.45414712015386616
Energy: 0.44376774800407504
Energy: 0.4961104123230938
Energy: 0.4565000109827044
Energy: 0.45155234498831054
Energy: 0.40757262472470357
Energy: 0.3998808550602132
Energy: 0.4354227258840079
Energy: 0.40196277274418213
Energy: 0.40699760745970853
Energy: 0.4270455794592038
Energy: 0.40224803957713806
Energy: 0.40029933007843926
Energy: 0.42655044249460694
Energy: 0.4520296589608552
Energy: 0.4350313042907255
Energy: 0.4517636689345971
Energy: 0.45245997366750185
Energy: 0.42832322390860783
Energy: 0.4519472750594333
Energy: 0.44501497812051105
Energy: 0.42672468179935835
Energy: 0.4262577725254067
Energy: 0.4355864117236182
Energy: 0.4388419024251805
Energy: 0.45277646406112976
Energy: 0.4567729400900191
Energy: 0.43685385105668995
Energy: 0.430594742643006
Energy: 0.44461811630180675
Energy: 0.44960841334355306
Energy: 0.38076364645797656
Energy: 0.4383831739496615
Energy: 0.43930104626535327
Energy: 0.49967188987024985
Energy: 0.5792151993444457
Energy: 0.4408475628974666
Energy: 0.4262042380145601
Energy: 0.4366554412856389
Energy: 0.44388130374063156
Energy: 0.43165886743226856
Energy: 0.4600719332220665
Energy: 0.4664932025172831
Energy: 0.3802362139412769
Energy: 0.44131905219018286
Energy: 0.40815257249126197
Energy: 0.4486327269303371
Energy: 0.43777515766264247
Energy: 0.4294198608007225
Energy: 0.44748810336066014
Energy: 0.43662501090950384
Energy: 0.4305503104335186
Energy: 0.39229994373117233
Energy: 0.4241944607068842
Energy: 0.37855762130041365
Energy: 0.3908698670131994
Energy: 0.42034609291438163
Energy: 0.37718571730221195
Energy: 0.3771783223681457
Energy: 0.43409484997491654
Energy: 0.4304561524346923
Energy: 0.3782573361178069
Energy: 0.43536144349321204
Energy: 0.4340944897637034
Energy: 0.3809000959002945
Energy: 0.43528847535094584
Energy: 0.43817521392655145
Energy: 0.39417950726486284
Energy: 0.4313792323120136
Energy: 0.4289926687236745
Energy: 0.38692871144067686
Energy: 0.4355482743246096
Energy: 0.43102407163235784
Energy: 0.3879852831574126
Energy: 0.4613733604942894
Energy: 0.38016212390830056
Energy: 0.5139273018720608
Energy: 0.459013815212451
Energy: 0.46042842720935695
Energy: 0.46131108039413415
Energy: 0.4362628608531288
Energy: 0.4011102884383189
Energy: 0.42745561607978116
Energy: 0.3771686955680598
Energy: 0.37863031105622136
Energy: 0.3767154839347388
Energy: 0.43099677161285177
Energy: 0.37771590166245383
Energy: 0.3996131407647968
Energy: 0.4470622410530222
Energy: 0.4357322638965903
Energy: 0.3922587176541425
Energy: 0.447616264244021
Energy: 0.441897185037118
Energy: 0.3987835953607282
Energy: 0.4481392664979645
Energy: 0.44768184280381973
Energy: 0.3914560216483191
Energy: 0.4569967576771769
Energy: 0.4291011288828954
Energy: 0.41951050133156415
Energy: 0.44229656452093913
Energy: 0.4558919907394844
Energy: 0.3782623224679865
Energy: 0.43962968721311985
Energy: 0.4535010748001285
Energy: 0.4150904471970628
Energy: 0.452568709725251
Energy: 0.4498528604985933
Energy: 0.40167095412304
Energy: 0.450162147477529
Energy: 0.44838652134959456
Energy: 0.4432625753477884
Energy: 0.4647284483878125
Energy: 0.4598401787643707
Energy: 0.43527397467559287
Energy: 0.4615969020364812
Energy: 0.430344411220223
Energy: 0.4344278206196516
Energy: 0.4339171275475945
Energy: 0.42659465404366237
Energy: 0.43489006241485684
Energy: 0.4254570363215047
Energy: 0.4291104431437441
Energy: 0.5142400268235374
Energy: 0.46279062186738523
Energy: 0.4529893831480517
Energy: 0.44527153177375517
Energy: 0.4588639346746885
Energy: 0.46319760515158837
Energy: 0.4511699618033265
Energy: 0.49211566631208775
Energy: 0.5010327064267042
Energy: 0.4253788646644339
Energy: 0.4885382076473942
Energy: 0.5016643453740796

minimum gb energy = 0.3767154839347388 eV
minimum distance =  2.72124582237828 Angstroms
sigma value = 17


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

Energy: 0.3737426301651159
Energy: 0.46512567933206866
Energy: 0.4635598882601668
Energy: 0.41357585493207577
Energy: 0.6170172651495462
Energy: 0.44117055708041014
Energy: 0.4041832759127841
Energy: 0.45617846958452846
Energy: 0.45771397375339423
Energy: 0.45771397375339423
Energy: 0.45379847089852393
Energy: 0.42110098840708504
Energy: 0.4952364712200869
Energy: 0.4025428447468113
Energy: 0.4003467630817139
Energy: 0.4362489745355827
Energy: 0.4002786127881145
Energy: 0.40427908717884636
Energy: 0.4531080021416266
Energy: 0.3997969600253705
Energy: 0.39996562430988974
Energy: 0.4537704905116284
Energy: 0.40418225458355544
Energy: 0.4406227597644184
Energy: 0.39156179104441247
Energy: 0.3992551314279288
Energy: 0.3965347116373852
Energy: 0.39270878379329693
Energy: 0.3994504880208464
Energy: 0.41747567837603927
Energy: 0.43568701964583567
Energy: 0.39734104574381485
Energy: 0.40532044883141294
Energy: 0.39386654309550706
Energy: 0.4024303148832552
Energy: 0.40244448303573305
Energy: 0.39422490084591155
Energy: 0.38950944567595097
Energy: 0.3870790459595889
Energy: 0.39678888997046274
Energy: 0.3863624100797921
Energy: 0.39026976005509745
Energy: 0.41453660927677827
Energy: 0.3971465743843687
Energy: 0.39717886455972357
Energy: 0.4026720223753676
Energy: 0.39772016214529826
Energy: 0.4055747473804274
Energy: 0.38462282319130786
Energy: 0.394581534210991
Energy: 0.3896038611499017
Energy: 0.3859654082093689
Energy: 0.4044994057439663
Energy: 0.38651900893102276
Energy: 0.3990195033818593
Energy: 0.41775318890503915
Energy: 0.4028293643102927
Energy: 0.397101064965615
Energy: 0.4133538307043151
Energy: 0.40241930870755993
Energy: 0.4627930402971084
Energy: 0.40284832672568693
Energy: 0.4013179142821637
Energy: 0.40054564319180896
Energy: 0.3934922547972675
Energy: 0.40249416923534515
Energy: 0.39346311433951003
Energy: 0.4581534994447787
Energy: 0.46318579593821874
Energy: 0.3906762151775976
Energy: 0.4533553178698243
Energy: 0.45428291826136197
Energy: 0.3961962198915966
Energy: 0.4571155223531274
Energy: 0.458909485088807
Energy: 0.402267799801683
Energy: 0.4588601963085656
Energy: 0.4798496511677488
Energy: 0.5218640133726571
Energy: 0.4613539740752843
Energy: 0.4733964771302174
Energy: 0.4535276812261008
Energy: 0.45856089609551504
Energy: 0.41587998556365957
Energy: 0.448624175252002
Energy: 0.44743178919987475
Energy: 0.4499694828660251
Energy: 0.4488518582614749
Energy: 0.4391707290531729
Energy: 0.45825017510613014
Energy: 0.5629860531290276
Energy: 0.4710696823973205
Energy: 0.424192782082742
Energy: 0.45154930761514095
Energy: 0.46375729124648263
Energy: 0.4553968120365064
Energy: 0.3693946137992425
Energy: 0.4593673005965593
Energy: 0.5110116863018263
Energy: 0.38379725296339595
Energy: 0.4541675080268851
Energy: 0.5082672534517636

minimum gb energy = 0.3693946137992425 eV
minimum distance =  2.7449993786736 Angstroms
sigma value = 17


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

Energy: 0.7233777096015482
Energy: 0.4853427256697369
Energy: 0.42475907195585594
Energy: 0.3983308633492951
Energy: 0.621835201997244
Energy: 0.4355131131331881
Energy: 0.4355131131331881
Energy: 0.45956908564646615
Energy: 0.3965376970404683