Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014499071
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.01808958665147032
Energy: 0.01842597158363664
Energy: 0.018593494776769498
Energy: 0.018412538969866814
Energy: 0.6930838390776851
Energy: 0.018624937291214318
Energy: 0.01842597158363664
Energy: 0.15963982222052697
Energy: 0.15997519673605973
Energy: 0.15987021559745912
Energy: 0.15989478836616514
Energy: 0.15994041300920228
Energy: 0.01859349477739378
Energy: 0.15997519673605973
Energy: 0.16140963122303625
Energy: 0.01858841532039355
Energy: 0.15971419429498643
Energy: 0.1608141292725944
Energy: 0.018412538969866814
Energy: 0.1598702155971286
Energy: 0.01858841532039355
Energy: 0.01856239758501562
Energy: 0.1601671965848163
Energy: 0.01851560288004985
Energy: 0.693083839077979
Energy: 0.15989478836616514
Energy: 0.15971419429531694
Energy: 0.16016719658511008
Energy: 0.15969320053170186
Energy: 0.1597635325111319
Energy: 0.0186249372918386
Energy: 0.15994041300982656
Energy: 0.1608141292725944
Energy: 0.01851560287971935
Energy: 0.1597635325114624
Energy: 0.018518477990630566

minimum gb energy = 0.01808958665147032 eV
minimum distance =  2.48686091785819 Angstroms
sigma value = 1


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

Energy: 2.128780168644406
Energy: 1.3544489633174859
Energy: 1.9599103101207291
Energy: 1.424679957730637
Energy: 1.7370287811397682
Energy: 1.9535549755879167
Energy: 1.9686176399104927
Energy: 1.3724542821915717
Energy: 1.3720500054959135
Energy: 1.3962977027030978
Energy: 1.3721414486667418
Energy: 1.3547927777742104
Energy: 1.8989836491568641
Energy: 1.3713828184155075
Energy: 1.3716073085255582
Energy: 1.3771516876984047
Energy: 1.3935592284346687
Energy: 1.3265811700886334
Energy: 2.0069642283615323
Energy: 1.3146476951136623
Energy: 1.3607524254555872
Energy: 1.3434796829193927
Energy: 1.3780031207902943
Energy: 1.3430905366880694
Energy: 1.8931279530955254
Energy: 1.4200185033205637
Energy: 1.4195264923616095
Energy: 1.4332095799011695
Energy: 1.4210159573375414
Energy: 1.420533583686994
Energy: 1.855821866754251
Energy: 1.4192445235618665
Energy: 1.4143357107764025
Energy: 1.3975159244343622
Energy: 1.4204943078870536
Energy: 1.395226516810002
Energy: 1.8579798591485714
Energy: 1.3941187432185522
Energy: 1.3942988759962425
Energy: 1.395799867757187
Energy: 1.3935684410631082
Energy: 1.3943975192468383
Energy: 1.7541830644708403
Energy: 1.411388927239642
Energy: 1.4121603038909523
Energy: 1.381828173761526
Energy: 1.4104916322841667
Energy: 1.3971240355907661
Energy: 1.5189618705560193
Energy: 1.393868930935151
Energy: 1.395867368852185
Energy: 1.4255414974892475
Energy: 1.4124334522531008
Energy: 1.3936751187717609
Energy: 1.518668137962631
Energy: 1.4225931973884007
Energy: 1.4198581026141655
Energy: 1.3990530956729836
Energy: 1.4252748411792218
Energy: 1.3989519767001655
Energy: 1.5442423475846814
Energy: 1.3943282072604661
Energy: 1.3944464107649601
Energy: 1.5570464209538537
Energy: 1.369633255372931
Energy: 1.3458683218749632
Energy: 1.3723197252551136
Energy: 1.360879376218281
Energy: 1.3608873122884342
Energy: 1.372014710825406
Energy: 1.3976282745674902
Energy: 1.3715543534965708
Energy: 1.3721299434858407
Energy: 1.3977636150427768
Energy: 1.4086092516898148
Energy: 1.3720989519481772
Energy: 1.3930037842548728
Energy: 1.3716341733901605
Energy: 1.4238257491499862
Energy: 1.3832907161596015
Energy: 1.3602776053844794
Energy: 1.544375068581815
Energy: 1.3827753963258216
Energy: 1.3359300800660106
Energy: 1.4255169550100681
Energy: 1.420201660630751
Energy: 1.4277917631487345
Energy: 1.375532064379387
Energy: 1.4217613118020493
Energy: 1.3737682012114851
Energy: 1.4260101562830656
Energy: 1.3418775478050105
Energy: 1.3399880327959948
Energy: 1.4242039448634805
Energy: 1.3935558973455193
Energy: 1.3606903102919554
Energy: 1.7180783906292982
Energy: 1.3982329757676375
Energy: 1.3951905162798988
Energy: 1.3825219876619366
Energy: 1.39450246613741
Energy: 1.3430502482311149
Energy: 1.6826129044488005
Energy: 1.4148129928089135
Energy: 1.4136125524118193
Energy: 1.4145223588264009
Energy: 1.4316283613864407
Energy: 1.4135092696044853
Energy: 1.6860809236998926
Energy: 1.4144651529502894
Energy: 1.4129512520260112
Energy: 1.4147662761401398
Energy: 1.4141770451037639
Energy: 1.4129716779225192
Energy: 1.8040102147327863
Energy: 1.4153794109909221
Energy: 1.4135654211193318
Energy: 1.413216166295699
Energy: 1.414061566457658
Energy: 1.412356518721495
Energy: 1.9261459153405494
Energy: 1.3150844511132789
Energy: 1.3720646448486908
Energy: 1.3722278666067174
Energy: 1.4603197007812394
Energy: 1.3726528815349253
Energy: 1.9291000070331794
Energy: 1.4059405798669553
Energy: 1.3943164279884577
Energy: 1.3655846829149052
Energy: 1.4339599971177213
Energy: 1.3574629912887355
Energy: 1.974258384897278
Energy: 1.371772495203969
Energy: 1.3715606141743693
Energy: 1.4009720783780737
Energy: 1.3714317023906253
Energy: 1.3993236931873556

minimum gb energy = 1.3146476951136623 eV
minimum distance =  2.2710060221504 Angstroms
sigma value = 33


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

Energy: 2.4987704670767767
Energy: 1.5243256327106007
Energy: 1.871538601340041
Energy: 1.8672523348986922
Energy: 1.4646277033830126
Energy: 1.9761432354013984
Energy: 1.725524137067762
Energy: 1.4067654517471069
Energy: 1.4071945859719457
Energy: 1.398649253527888
Energy: 1.4203450339508041
Energy: 1.4065153222002065
Energy: 1.9908835494128292
Energy: 1.4132700508254736
Energy: 1.4454380939707696
Energy: 1.5270937336289645
Energy: 1.4142302622421719
Energy: 1.5743100571626827
Energy: 1.9117401246408638
Energy: 1.558137966262244
Energy: 1.5486485736462798
Energy: 1.454098776738384
Energy: 1.5531982485082567
Energy: 1.4507393067163354
Energy: 1.8578332468318983
Energy: 1.5527959957492958
Energy: 1.441847410174366
Energy: 1.4303428653067012
Energy: 1.5502630266274464
Energy: 1.580129019359905
Energy: 1.95078976043704
Energy: 1.5888502367091502
Energy: 1.5910679370387841
Energy: 1.5398714843715016
Energy: 1.5609699952251732
Energy: 1.5394186192699528
Energy: 1.949136886873243
Energy: 1.5407752841000573
Energy: 1.5432071254086739
Energy: 1.5410458949543426
Energy: 1.5854565017581237
Energy: 1.539841254807954
Energy: 1.8583955793739741
Energy: 1.509389265676334
Energy: 1.509470602196816
Energy: 1.6497165058801764
Energy: 1.509389435668549
Energy: 1.513184158483827
Energy: 1.6365607385549492
Energy: 1.5191308588501198
Energy: 1.5932738068821959
Energy: 1.5930794693025605
Energy: 1.5194848009390236
Energy: 1.5808951565258944
Energy: 1.6375933892571555
Energy: 1.5891789454418739
Energy: 1.572999569331223
Energy: 1.5725699420385606
Energy: 1.5887452615911895
Energy: 1.5754967891995004
Energy: 1.8162307295992133
Energy: 1.8668427424630805
Energy: 1.8657328092451337
Energy: 1.502297613564537
Energy: 1.8669859551928276
Energy: 1.8753316974616305
Energy: 1.5473297282601817
Energy: 1.3787743714087168
Energy: 1.5369535484762564
Energy: 1.5462876038444058
Energy: 1.3548616222264875
Energy: 1.535217564632486
Energy: 1.5320244712002493
Energy: 1.5892758298947367
Energy: 1.4934278450317198
Energy: 1.5317687805442968
Energy: 1.5959632305845262
Energy: 1.5353890389871683
Energy: 1.6842517723206756
Energy: 1.7699702738638126
Energy: 1.489505049829141
Energy: 1.792095370248822
Energy: 1.7675525659967393
Energy: 1.4874963846077667
Energy: 1.643237787019857
Energy: 1.592300297958794
Energy: 1.5699147427182543
Energy: 1.555087020605266
Energy: 1.5918561184140758
Energy: 1.5718638598268992
Energy: 1.6530182645270586
Energy: 1.5434162926483896
Energy: 1.5404808463270259
Energy: 1.5850789565220493
Energy: 1.5885517948018952
Energy: 1.5885078807543034
Energy: 1.7136490717077784
Energy: 1.553420226840799
Energy: 1.5581794874571842
Energy: 1.6304781632647922
Energy: 1.558569400540361
Energy: 1.4512999697339384
Energy: 1.7420160195329477
Energy: 1.5638041073825062
Energy: 1.5721063586288877
Energy: 1.5096779621448913
Energy: 1.6498125170892997
Energy: 1.512468457211518
Energy: 1.7490329318141185
Energy: 1.472496083737065
Energy: 1.6186065539830643
Energy: 1.5199220943120917
Energy: 1.4692877184787183
Energy: 1.4245779359078135
Energy: 1.8609538768202287
Energy: 1.4474290679039297
Energy: 1.4495142332924655
Energy: 1.6300786131773326
Energy: 1.4488419234680663
Energy: 1.4480739229961992
Energy: 2.0013854684127175
Energy: 1.45611845246549
Energy: 1.4123548468655704
Energy: 1.3852382167900084
Energy: 1.512417715609816
Energy: 1.303434239899313
Energy: 1.9036544714109984
Energy: 1.4188111237392185
Energy: 1.419253417543815
Energy: 1.44563960935682
Energy: 1.419628783325956
Energy: 1.3774245634990847
Energy: 1.82690806843402
Energy: 1.414583054888795
Energy: 1.5746681459805851
Energy: 1.611609033011647
Energy: 1.4133771032346918
Energy: 1.397047950888975
Energy: 2.0775830935916946
Energy: 1.5596636939953823
Energy: 1.7245768842215612
Energy: 1.7681066961455472
Energy: 1.5713768689259722
Energy: 1.768418508474831
Energy: 1.8263722089287657
Energy: 1.550567511206164
Energy: 1.5525595368094913
Energy: 1.6185051543772784
Energy: 1.5534539547857162
Energy: 1.3969253071028214
Energy: 1.9530309321781305
Energy: 1.5882011197149006
Energy: 1.5899088919761266
Energy: 1.602482468619804
Energy: 1.5892848957794454
Energy: 1.540232561551633
Energy: 1.9526628538501698
Energy: 1.565020850706441
Energy: 1.5596435351901081
Energy: 1.5582445613154576
Energy: 1.58825883537071
Energy: 1.5640422568959285
Energy: 1.8562915684337535
Energy: 1.5087372918502109
Energy: 1.5127339446598576
Energy: 1.5996812783029828
Energy: 1.5094621650055229
Energy: 1.6015766288053481
Energy: 1.6393123120217965
Energy: 1.50912452861353
Energy: 1.5102886640742808
Energy: 1.5767355660129674
Energy: 1.5093812811478755
Energy: 1.5771450787603796
Energy: 1.6386939105029301
Energy: 1.5890468697646962
Energy: 1.575830242351374
Energy: 1.5745483521371753
Energy: 1.5903506730269683
Energy: 1.5738814180976317
Energy: 1.6736032112709478
Energy: 1.304135714365764
Energy: 1.3033220182848435
Energy: 1.5690757744081656
Energy: 1.3030412070737454
Energy: 1.302747727727798
Energy: 1.5455294583615877
Energy: 1.3791518869722423
Energy: 1.3444617305004893
Energy: 1.5496363726235978
Energy: 1.3796510787323681
Energy: 1.5376510336411375
Energy: 1.5319454770820684
Energy: 1.5897937690567499
Energy: 1.4929350634429095
Energy: 1.5326769479722517
Energy: 1.5904694608036207
Energy: 1.5370008447009607
Energy: 1.5318328881626961
Energy: 1.7697891701683077
Energy: 1.7687052405693795
Energy: 1.5320535794214203
Energy: 1.7682104165095995
Energy: 1.4886932773658026
Energy: 1.6380711480706205
Energy: 1.5919510502105307
Energy: 1.571211513835316
Energy: 1.5549639757143374
Energy: 1.6029512120812686
Energy: 1.5703950636990107
Energy: 1.6311341993218784
Energy: 1.5899209852077811
Energy: 1.5869722890090203
Energy: 1.595568453463449
Energy: 1.5883907929000909
Energy: 1.5859511289873478
Energy: 1.624649483437811
Energy: 1.5877382923043848
Energy: 1.569569524093097
Energy: 1.3860372552590325
Energy: 1.3695330837022759
Energy: 1.6405555325135375
Energy: 1.751597800936212
Energy: 1.600638736340967
Energy: 1.5950041528261913
Energy: 1.5209701989984172
Energy: 1.5933060890761084
Energy: 1.6135693061337855
Energy: 1.7251061196029893
Energy: 1.469308805616087
Energy: 1.4259638361830076
Energy: 1.5093629626086495
Energy: 1.4693417394025945
Energy: 1.5119382281311107
Energy: 1.8577468027553725
Energy: 1.4475391785756115
Energy: 1.450226027941648
Energy: 1.436200423686919
Energy: 1.4484820735078265
Energy: 1.611877765413481
Energy: 2.1449165656805538
Energy: 1.386412872983574
Energy: 1.3173377870659804
Energy: 1.2997856126422822
Energy: 1.38588709740067
Energy: 1.4142213122145608

minimum gb energy = 1.2997856126422822 eV
minimum distance =  2.25346875089982 Angstroms
sigma value = 51


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

Energy: 2.182729596727355
Energy: 1.585742643775181
Energy: 2.2799429458800122
Energy: 1.8163046218389625
Energy: 2.011881779822571
Energy: 1.8153823783788214
Energy: 1.756688664914027
Energy: 1.4481869057631294
Energy: 1.4451345881677846
Energy: 1.3244196857356285
Energy: 1.4294205158970748
Energy: 1.4462408965734075
Energy: 1.8682018846467476
Energy: 1.425136342016102
Energy: 1.42545982453269
Energy: 1.4556475700013531
Energy: 1.4261647915849807
Energy: 1.3164240814578463
Energy: 1.8637119053095175
Energy: 1.424876164495644
Energy: 1.3748978595891201
Energy: 1.488950121550305
Energy: 1.5636924775062737
Energy: 1.3648513536391125
Energy: 1.8078883273315662
Energy: 1.5065944671590534
Energy: 1.5044576940094905
Energy: 1.3589706442726908
Energy: 1.5068535312875784
Energy: 1.4528677143034234
Energy: 1.6423787440862907
Energy: 1.452643193861924
Energy: 1.452591112560936
Energy: 1.4530642823347724
Energy: 1.4519742021607287
Energy: 1.4516496945334822
Energy: 1.6422687087635528
Energy: 1.421609863324838
Energy: 1.485628536200602
Energy: 1.4537740545877347
Energy: 1.452806548174466
Energy: 1.450479269223922
Energy: 1.6494279064698811
Energy: 1.3154117864684023
Energy: 1.3124171411832433
Energy: 1.5413588249514092
Energy: 1.3168699625216058
Energy: 1.3120465257816667
Energy: 1.425628598451042
Energy: 1.3127038169209986
Energy: 1.3146879525916844
Energy: 1.4255471908489856
Energy: 1.3122649908739659
Energy: 1.312878476533049
Energy: 1.4295489876772471
Energy: 1.3880864927988628
Energy: 1.445786080071079
Energy: 1.429632623367936
Energy: 1.3558054508981945
Energy: 1.4458887948238393
Energy: 1.4259015474730206
Energy: 1.488270507884459
Energy: 1.5396426982794225
Energy: 1.4278149072326667
Energy: 1.4242924630577896
Energy: 1.5398826065076379
Energy: 1.4712978290687526
Energy: 1.446462305411781
Energy: 1.445936652009143
Energy: 1.429146753163691
Energy: 1.356524344426799
Energy: 1.4459043620300729
Energy: 1.467679549295621
Energy: 1.3550029855255217
Energy: 1.3541625563695392
Energy: 1.4490688907196532
Energy: 1.3555677039885385
Energy: 1.4498560154236002
Energy: 1.4688605575433185
Energy: 1.7145083651213269
Energy: 1.7139278834521903
Energy: 1.453413678395348
Energy: 1.3841506517248627
Energy: 1.5461896943363551
Energy: 1.7570158076014162
Energy: 1.4157103119729686
Energy: 1.4164622056430363
Energy: 1.4013469950413298
Energy: 1.4550222493198048
Energy: 1.4018915740631324
Energy: 1.7553487131118128
Energy: 1.454031415751591
Energy: 1.453590678775976
Energy: 1.4717153991611214
Energy: 1.4536277336497445
Energy: 1.4026363666940809
Energy: 1.7765472568844989
Energy: 1.4542199222358205
Energy: 1.45414478547042
Energy: 1.5056660229157381
Energy: 1.454904712003861
Energy: 1.4762258172025675
Energy: 1.9781695558802646
Energy: 1.4487382741716317
Energy: 1.4228599699152398
Energy: 1.3107177584264258
Energy: 1.4482388972821094
Energy: 1.4235359576347837

minimum gb energy = 1.3107177584264258 eV
minimum distance =  2.32375968887183 Angstroms
sigma value = 19


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

Energy: 1.9133922790466045
Energy: 1.5189288874366307
Energy: 1.5789593408515876
Energy: 1.5808340930253642
Energy: 1.6400760710635216
Energy: 1.6585571085218918
Energy: 1.9423862713279654
Energy: 1.3611877347274353
Energy: 1.3613082147556779
Energy: 1.342460769785844
Energy: 1.3611433400877662
Energy: 1.361817490545359
Energy: 2.0342460125927584
Energy: 1.3618675225357604
Energy: 1.380766822732608
Energy: 1.3542633905882768
Energy: 1.3609910819455164
Energy: 1.4178569884164036
Energy: 1.5944303363731442
Energy: 1.4461710954314166
Energy: 1.4437131561393395
Energy: 1.4998943988522528
Energy: 1.4456425210508388
Energy: 1.3987052980508818
Energy: 1.6968240822623657
Energy: 1.4519969919820908
Energy: 1.4459246695458954
Energy: 1.2864766885321508
Energy: 1.445749802206146
Energy: 1.453254790781957
Energy: 1.6974977468876524
Energy: 1.325677089819676
Energy: 1.4659347492483819
Energy: 1.4358853357673829
Energy: 1.3255692315426257
Energy: 1.4304143417631798
Energy: 1.6971627614290827
Energy: 1.4796498495101729
Energy: 1.4312805792686285
Energy: 1.434090561587414
Energy: 1.4248395162755028
Energy: 1.4263144538861563
Energy: 1.5896140393681029
Energy: 1.1585177523210912
Energy: 1.1579436980254554
Energy: 1.5944360180529684
Energy: 1.1589379582487478
Energy: 1.1883262276298487
Energy: 1.4341112797649878
Energy: 1.1580796906287614
Energy: 1.1701968487916032
Energy: 1.434165071453377
Energy: 1.1585783022364888
Energy: 1.2413550784327871
Energy: 1.4333333635004566
Energy: 1.4333532658448984
Energy: 1.4343189915328216
Energy: 1.4332601619465457
Energy: 1.5229258037392828
Energy: 1.4345253143173815
Energy: 1.50160000001458
Energy: 1.5004442190848628
Energy: 1.5009701985136188
Energy: 1.433275989284042
Energy: 1.5010089663549044
Energy: 1.4180210720752093
Energy: 1.6010085301260044
Energy: 1.5554774367231168
Energy: 1.5185173394554201
Energy: 1.4555822587029945
Energy: 1.4577319958960158
Energy: 1.4580172896494539
Energy: 1.3252729447750782
Energy: 1.4358246595242714
Energy: 1.4701885273759334
Energy: 1.325496995849073
Energy: 1.4358490590691744
Energy: 1.573703097715519
Energy: 1.6004475937238372
Energy: 1.58169916554306
Energy: 1.58940314993068
Energy: 1.4776833274519319
Energy: 1.5825664814000486
Energy: 1.5893210926040389
Energy: 1.8469670340052096
Energy: 1.4344728146477927
Energy: 1.4425274377299504
Energy: 1.1586994543965121
Energy: 1.4339845183524906
Energy: 1.2412271796773309
Energy: 1.808734652044525
Energy: 1.4097522041217774
Energy: 1.2204291032954735
Energy: 1.5861062173807203
Energy: 1.4534515377905783
Energy: 1.1591245641211023
Energy: 1.9573100901199467
Energy: 1.4337051922968496
Energy: 1.4349794818083033
Energy: 1.4673103382502386
Energy: 1.43437902200118
Energy: 1.4346299486447918
Energy: 1.591315871873788
Energy: 1.4341444358243425
Energy: 1.4341789546653108
Energy: 1.5000059857744104
Energy: 1.4338868020689084
Energy: 1.4339640063221342
Energy: 1.6194998081298198
Energy: 1.429380141857616
Energy: 1.4297587230475337
Energy: 1.3511872767710098
Energy: 1.428964264795831
Energy: 1.5383984640135164
Energy: 1.7029069729803417
Energy: 1.3255985116412692
Energy: 1.502266938312453
Energy: 1.4757132937602966
Energy: 1.3254735171165823
Energy: 1.5361199256457867
Energy: 1.673737860045475
Energy: 1.4353192613836974
Energy: 1.4902168852697433
Energy: 1.581596273105382
Energy: 1.4656493205319736
Energy: 1.5884756932395296
Energy: 1.7006519494507049
Energy: 1.4836251296479321
Energy: 1.485328678961087
Energy: 1.4359565335571778
Energy: 1.4833744633444867
Energy: 1.4422678575115289
Energy: 1.6913845574431643
Energy: 1.580216321413815
Energy: 1.5800606759349811
Energy: 1.5364263227751414
Energy: 1.5804786668084043
Energy: 1.5798630044512136
Energy: 1.4286126694543217
Energy: 1.382273909229133
Energy: 1.4339253601592963
Energy: 1.4329846089169216
Energy: 1.2848514499148964
Energy: 1.4290991918428104
Energy: 1.4281798205407938
Energy: 1.5114298697336253
Energy: 1.4336499008230228
Energy: 1.4323229350066142
Energy: 1.4613223435677027
Energy: 1.4280698654552497
Energy: 1.6059130947146278
Energy: 1.5012236616827035
Energy: 1.500759602872563
Energy: 1.6096045484196946
Energy: 1.5002793505718255
Energy: 1.2876338477599287
Energy: 1.6746215865750942
Energy: 1.5017876901024894
Energy: 1.4930303895585788
Energy: 1.3239626227070884
Energy: 1.4932974840407334
Energy: 1.4267603792743293
Energy: 1.325390080527313
Energy: 1.4318137624947858
Energy: 1.3641398230006523
Energy: 1.325382032694096
Energy: 1.3748573504528883
Energy: 1.482259242839878
Energy: 1.6810277230932207
Energy: 1.3649345177450776
Energy: 1.3626211388357086
Energy: 1.32392443484399
Energy: 1.365522791474215
Energy: 1.3644273791818209
Energy: 1.9416406693260782
Energy: 1.3999326154104335
Energy: 1.1881019945575693
Energy: 1.1599774506127705
Energy: 1.5272904452113345
Energy: 1.2395169245566302

minimum gb energy = 1.1579436980254554 eV
minimum distance =  2.34403721807077 Angstroms
sigma value = 27


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

Energy: 1.5247229467628869
Energy: 1.4984816492976984
Energy: 2.08754066371252
Energy: 1.4268405863840792
Energy: 1.3054058023401955
Energy: 2.0877119070669057
Energy: 1.3645420424764771
Energy: 1.317063681262623
Energy: 1.3171048244095471
Energy: 1.2590338936115488
Energy: 1.3169799790003773
Energy: 1.3169982981595967
Energy: 1.3758289278572435
Energy: 1.3063276326190025
Energy: 1.3063588077978714
Energy: 1.2970493145810178
Energy: 1.307687540183759
Energy: 1.3063083315131616
Energy: 1.2163427656912988
Energy: 1.3072695175655258
Energy: 1.2506851625254194
Energy: 1.2975686195931309
Energy: 1.633739657832172
Energy: 1.2506132511567645
Energy: 1.5219891963181233
Energy: 1.3796140560252341
Energy: 1.261227471885047
Energy: 1.402664848178072
Energy: 1.3798105079555776
Energy: 1.1502713516733885
Energy: 1.3067052765699647
Energy: 1.3842328334269338
Energy: 1.3807855841375618
Energy: 1.3067070195001087
Energy: 1.380655101895065
Energy: 1.0980397429556112
Energy: 1.3077689326561561
Energy: 1.1503656249870986
Energy: 1.2069514055581925
Energy: 1.3078802870448918
Energy: 1.2590198399980257
Energy: 1.3081266064999244
Energy: 1.3879105535477965
Energy: 1.245358312864299
Energy: 1.2450342374096122
Energy: 1.387870590252176
Energy: 1.2450034127777199
Energy: 1.2463011457203486
Energy: 1.3763732513459985
Energy: 1.2474470609246817
Energy: 1.2085074747552655
Energy: 1.3076023502198972
Energy: 1.2919685565870735
Energy: 1.2797624132053185
Energy: 1.377422542332177
Energy: 1.2220402964711594
Energy: 1.219389614255586
Energy: 1.317073361978103
Energy: 1.3257064583886118
Energy: 1.2214796591644714
Energy: 1.3752517825235302
Energy: 1.3320659314830094
Energy: 1.3339465943683513
Energy: 1.3206066200472726
Energy: 1.330982686033384
Energy: 1.3336755653117416
Energy: 1.3752844298830225
Energy: 1.3067473181673828
Energy: 1.306812923019193
Energy: 1.2589483435914395
Energy: 1.3066902786968033
Energy: 1.307415878829089

minimum gb energy = 1.0980397429556112 eV
minimum distance =  2.31464916135221 Angstroms
sigma value = 9


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

Energy: 2.3759368551808837
Energy: 1.3661114477151766
Energy: 1.2016566213687898
Energy: 1.6540066721659736
Energy: 1.6303945224284173
Energy: 1.5218149409276613
Energy: 1.142173434421317
Energy: 1.1425596520967107
Energy: 1.1431221719746856
Energy: 1.1052746626481555
Energy: 1.142884374632618
Energy: 1.1431258137640867
Energy: 1.1576787311014123
Energy: 1.1249799851074083
Energy: 1.125675243959871
Energy: 1.110149670395581
Energy: 1.1250436926134642
Energy: 1.1257573577562803
Energy: 1.5266019288425194
Energy: 1.0920901862007302
Energy: 1.0940566452556646
Energy: 1.083768551482327
Energy: 1.3716421709182336
Energy: 1.3315774938010867
Energy: 1.340200552111973
Energy: 1.1269186452242463
Energy: 1.2764060263452384
Energy: 1.1758771526101377
Energy: 1.1779878475844834
Energy: 1.2310723853434757
Energy: 1.19241496398732
Energy: 1.4611501856513995
Energy: 1.1786294248765419
Energy: 1.1926566088068105
Energy: 1.4546217865312352
Energy: 1.137136596437273
Energy: 1.1853145273223382
Energy: 1.1057846520258838
Energy: 1.2246407825346908
Energy: 1.186208671324122
Energy: 1.127627574629353
Energy: 1.186916281478755
Energy: 1.1929938955673043
Energy: 1.3111978491036513
Energy: 1.1526760510024312
Energy: 1.1930457679673014
Energy: 1.3139760177134536
Energy: 1.1818780580506012
Energy: 1.3773950930056778
Energy: 1.1118754803962798
Energy: 1.1983501103587388
Energy: 1.137539263493168
Energy: 1.207557755567111
Energy: 1.1547467285581599
Energy: 1.804109486384407
Energy: 1.1928884180061101
Energy: 1.1926290592377407
Energy: 0.9912738592999246
Energy: 1.2981545877698069
Energy: 1.1884405803095623
Energy: 1.0684557185643777
Energy: 1.180951151701991
Energy: 1.1805887589113733
Energy: 1.0453380785683117
Energy: 1.180198433015388
Energy: 1.2377821196416892
Energy: 1.1257541193234373
Energy: 1.1931964406427522
Energy: 1.19422146637151
Energy: 1.1274040650783217
Energy: 1.1855208957371386
Energy: 1.2388129481515835
Energy: 2.0873749863217017
Energy: 1.1626696370911354
Energy: 1.5270045125172365
Energy: 1.3366701195667663
Energy: 1.15801848550468
Energy: 1.5072987867074572
Energy: 1.4453031139717363
Energy: 1.1477594300041734
Energy: 1.1473158214402221
Energy: 1.1274507475490838
Energy: 1.1853244511031718
Energy: 1.1182013717584225
Energy: 1.1470104510900554
Energy: 1.196289497292794
Energy: 1.201758710444329
Energy: 1.1436010620449453
Energy: 1.1956072851413437
Energy: 1.399591658932414
Energy: 1.1414557241572116
Energy: 1.1528082237419444
Energy: 1.1645305367118166
Energy: 1.1425424381187776
Energy: 1.1379422781851156
Energy: 1.1425693943793462
Energy: 1.1409763933958852
Energy: 1.1193743005878132
Energy: 1.1939548421053414
Energy: 1.1410780235879094
Energy: 1.1050235902044518
Energy: 1.1417101649428325
Energy: 1.1590257776478081
Energy: 1.1498714400393588
Energy: 1.1933830739104407
Energy: 1.1591600033455836
Energy: 1.1897654154203736
Energy: 1.1936737672314353
Energy: 1.157195991308381
Energy: 1.1393711070414276
Energy: 1.1229360772158952
Energy: 1.1256705021781683
Energy: 1.1362505011934212
Energy: 1.1732982596602197
Energy: 1.1575425996767044
Energy: 1.1217490615445334
Energy: 1.1216040100429896
Energy: 1.1208565653560505
Energy: 1.1208248971122472
Energy: 1.1432554568987705
Energy: 1.1571771731730531
Energy: 1.125993409455588
Energy: 1.1285542335516654
Energy: 1.182264696251222
Energy: 1.1257778316803073
Energy: 1.1422835249856156
Energy: 1.218111992933497
Energy: 1.140830382961667
Energy: 1.19957150671193
Energy: 1.1270455675647115
Energy: 1.1581050945403841
Energy: 1.0892739582034165
Energy: 1.2126667347951599
Energy: 1.141669236911576
Energy: 1.1425275011920761
Energy: 1.1269962340627804
Energy: 1.1414818225418226
Energy: 1.272051989385704
Energy: 1.1572855031125524
Energy: 1.1247891972281245
Energy: 1.1250903416332685
Energy: 1.1398855833847907
Energy: 1.1245973852692672
Energy: 1.1257231189706507
Energy: 1.5199081307882425
Energy: 1.125577695356253
Energy: 1.3380242844288939
Energy: 1.3855127285377848
Energy: 1.125651114437761
Energy: 1.3374881082983938
Energy: 1.4327791923294586
Energy: 1.1070823309494007
Energy: 1.10660821382112
Energy: 1.1472532545921685
Energy: 1.1069931007926344
Energy: 1.1825094126573439
Energy: 1.3319460998235149
Energy: 1.5623676018203887
Energy: 1.5607390724365229
Energy: 1.3316336307268934
Energy: 1.56261052314682
Energy: 1.0892688728094126
Energy: 1.1946652282733936
Energy: 1.0888818326776248
Energy: 1.1774974179902493
Energy: 1.1950361453503304
Energy: 1.1076553401530373
Energy: 1.193555491896602
Energy: 1.1901562237758587
Energy: 1.1102242527153916
Energy: 1.214210357119902
Energy: 1.1905237958192643
Energy: 1.1115903179963988
Energy: 1.182433571834278
Energy: 1.298528749707954
Energy: 1.310928342420388
Energy: 1.1495768932359383
Energy: 1.298535225673485
Energy: 1.3141695129388344
Energy: 1.1927060970812486
Energy: 1.068893742647152
Energy: 1.155595500787267
Energy: 1.1566184441071692
Energy: 1.0925180205654683
Energy: 1.2251842376433693
Energy: 1.269081816584965
Energy: 1.8040872419059755
Energy: 1.1806061583381782
Energy: 1.180258025831627
Energy: 0.9916626508167792
Energy: 1.1803734107205024
Energy: 1.187860045691453
Energy: 1.4060847071256475
Energy: 1.185268594112985
Energy: 1.1855011738203571
Energy: 1.127376878614251
Energy: 1.1850208966092226
Energy: 1.1850608845603199
Energy: 1.5104437296733417
Energy: 1.1953968728519613
Energy: 1.1955517028480327
Energy: 1.0855016043091585
Energy: 1.1951597335639934
Energy: 1.1473483707601149
Energy: 1.141980766759241
Energy: 1.1959740523984852
Energy: 1.1958031219208203
Energy: 1.0995980255475215
Energy: 1.195582450039219
Energy: 1.2920556649629962
Energy: 1.3221737487644458
Energy: 1.1617324270836435
Energy: 1.0844050023324463
Energy: 1.3223302006567224
Energy: 1.1628146328208868
Energy: 1.2025224156335297
Energy: 1.1450505538244242
Energy: 1.135325073441605
Energy: 1.1191429266948765
Energy: 1.1451313325887156
Energy: 1.1344552000652177
Energy: 1.125419430807195
Energy: 1.141150013243395
Energy: 1.137257270084067
Energy: 1.0993185842509792
Energy: 1.1413216813044618
Energy: 1.123682815467724
Energy: 1.1417265440966071
Energy: 1.5760364177446258
Energy: 1.3389229314231428
Energy: 1.5249465965010747
Energy: 1.5758940791947875
Energy: 1.5241344405900736
Energy: 1.1469954486004448
Energy: 1.1565481016266306
Energy: 1.1369561912481363
Energy: 1.0965990707719506
Energy: 1.1406171968458851
Energy: 1.1194331975278748
Energy: 1.172597588835757
Energy: 1.1564702757616583
Energy: 1.1235250431096697
Energy: 1.0983327606672406
Energy: 1.1340247886300092
Energy: 1.1227294305195141
Energy: 1.136336874782871
Energy: 1.1578125740300047
Energy: 1.1222993692136554
Energy: 1.12239975823861
Energy: 1.1261329510936464
Energy: 1.121513579852073
Energy: 1.1427866620668803
Energy: 1.2124239169217732
Energy: 1.1417881348101644
Energy: 1.142219662964223
Energy: 1.1792475632306532
Energy: 1.1414194480831314
Energy: 1.264981084520723

minimum gb energy = 0.9912738592999246 eV
minimum distance =  2.28725770388108 Angstroms
sigma value = 57


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

Energy: 0.6946341124555758
Energy: 0.6834849837776886
Energy: 0.5880106777425069
Energy: 0.541740527082525
Energy: 1.259893041963356
Energy: 0.6963941580257441
Energy: 0.6955457427944846
Energy: 0.8813324990320163
Energy: 1.0397533802665526
Energy: 0.8487634765554913
Energy: 0.9690675237641768
Energy: 0.8500585742329225
Energy: 0.9703233554562583
Energy: 0.8906629080677809
Energy: 0.8884844856844691
Energy: 0.9001607305016055
Energy: 0.88862070146271
Energy: 0.8902449403973306
Energy: 0.9423682537808862
Energy: 0.8833002809209871
Energy: 0.9190558085555564
Energy: 0.898263024496489
Energy: 0.8970644722016307
Energy: 0.8821509328266761
Energy: 0.9378698957329465
Energy: 0.5389281001573484
Energy: 0.5871810506136772
Energy: 0.9642113396334938
Energy: 0.5385490440768124
Energy: 0.9175504823743078
Energy: 0.8912845547727625
Energy: 0.5385402576759994
Energy: 0.5391405420109822
Energy: 0.9317930142012105
Energy: 0.5384321855336284
Energy: 0.5866674437284677
Energy: 0.8857671334072723
Energy: 0.8486287064662914
Energy: 0.846650146641452
Energy: 0.8869271951903682
Energy: 0.8828406408831843
Energy: 0.9157674267400385
Energy: 0.8919613653814302
Energy: 0.9665159352372144
Energy: 0.9669419166134974
Energy: 0.8916239183016738
Energy: 0.9668046673421522
Energy: 0.8911621707555634
Energy: 0.9543843663609849
Energy: 0.9199237754857912
Energy: 0.8857193750077283
Energy: 0.8836013115857544
Energy: 0.8889579311142718
Energy: 0.885902231219884
Energy: 0.5382607098969014
Energy: 0.8916831159362222
Energy: 0.5889179268369297
Energy: 0.5383701802357811
Energy: 0.8895286611623493
Energy: 0.6513799378528747
Energy: 0.5383835558349149
Energy: 0.8528134269250147
Energy: 0.8524583111566655
Energy: 0.5385209431642074
Energy: 0.8507259818438304
Energy: 0.5870951593653644
Energy: 0.9579528249595046
Energy: 0.8907635924996707
Energy: 0.9207709177227038
Energy: 0.9683270815860894
Energy: 0.8895394570038423
Energy: 0.9212099098115811
Energy: 0.9568754080239824
Energy: 0.9651074091106001
Energy: 0.9648157665200398
Energy: 1.85750880392189
Energy: 1.8186034118434655
Energy: 1.846884772651259
Energy: 0.9538694028181979
Energy: 0.8829600918128575
Energy: 0.886489897627908
Energy: 0.9572648730292961
Energy: 0.882764748603632
Energy: 0.8851326613854301
Energy: 0.9301527497209556
Energy: 0.5381697828522722
Energy: 0.5383996410841955
Energy: 0.870306507407546
Energy: 0.5385118717856578
Energy: 0.5392023666210229
Energy: 0.8740033624918143
Energy: 0.9143041856714403
Energy: 0.9225201111525431
Energy: 0.897500069610394
Energy: 0.5385704126079065
Energy: 0.8664684104140108
Energy: 0.8751915384816296
Energy: 0.8434271812475821
Energy: 0.9254198090608234
Energy: 0.8989918368742421
Energy: 0.8887354073911717
Energy: 0.8758332950459531
Energy: 0.9409284681249013
Energy: 0.9597023640495594
Energy: 0.8832494003597561
Energy: 0.9675053376316282
Energy: 0.887749056485506
Energy: 0.8802520830703081
Energy: 0.6955227037044409
Energy: 1.0077123596883817
Energy: 1.0438349908467146
Energy: 0.5385421323281949
Energy: 1.0200492522292826
Energy: 0.92243170718787

minimum gb energy = 0.5381697828522722 eV
minimum distance =  2.36256825167726 Angstroms
sigma value = 11


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

Energy: 1.9183965153707316
Energy: 1.4756089564630204
Energy: 1.2844164865487497
Energy: 1.6932322079381146
Energy: 1.8076436665374442
Energy: 1.2844551793215
Energy: 0.9706958932360573
Energy: 0.937279802392071
Energy: 1.017175564892385
Energy: 1.0403359754826496
Energy: 0.9372749161616638
Energy: 1.0269339386049403
Energy: 0.9380394648855152
Energy: 0.9668329580345384
Energy: 0.9671319893942737
Energy: 0.9395461361979702
Energy: 0.9395026509696777
Energy: 0.9814448115792448
Energy: 0.9378212049072882
Energy: 1.0168113896020659
Energy: 1.0685930901404543
Energy: 0.9391742051129908
Energy: 0.9407825750204375
Energy: 0.9655317813241306
Energy: 0.9392334945079205
Energy: 1.085653160891357
Energy: 0.9926023541515725
Energy: 0.9392102856301756
Energy: 1.1695637434423563
Energy: 0.9927174691160986
Energy: 1.266031630548514
Energy: 1.3622154794953623
Energy: 1.3177011587369563
Energy: 1.266371325380832
Energy: 1.0721893666513669
Energy: 1.0301642281418253
Energy: 1.0171185923090094
Energy: 0.9804409991384927
Energy: 0.9657668085826443
Energy: 0.9381610198397081
Energy: 1.0038479629812582
Energy: 1.0268468737278174
Energy: 0.9706114510389612
Energy: 1.0344264480336705
Energy: 1.0355030947325419
Energy: 0.9707618425401348
Energy: 1.0338493934188708
Energy: 1.1263001347216686
Energy: 1.2645059263842167
Energy: 1.025948665118456
Energy: 0.9651504915672388
Energy: 0.9690332511621839
Energy: 1.0262572755871089
Energy: 1.0151653985610674
Energy: 1.6499406999787192
Energy: 1.030997815229008
Energy: 1.0311188850485073
Energy: 1.5334851094243303
Energy: 1.0314234554058372
Energy: 1.165198899044662
Energy: 1.3222100159857373
Energy: 1.066424762022289
Energy: 1.0634162545740729
Energy: 1.1678408591265643
Energy: 1.195412964652445
Energy: 1.0133456335273416
Energy: 1.263763319153333
Energy: 0.9019674488556062
Energy: 1.0101936297625138
Energy: 1.264107110186106
Energy: 0.9056991354934439
Energy: 0.992911600671549
Energy: 1.1766031581666774
Energy: 0.9024141934903162
Energy: 1.090405384973545
Energy: 1.176557811616694
Energy: 0.9055334439194028
Energy: 1.183881016536408
Energy: 1.1709795767434723
Energy: 1.0071615176628412
Energy: 1.0959697821462655
Energy: 1.169147025893356
Energy: 1.1089157183677845
Energy: 1.050280743740335
Energy: 1.1673779406560028
Energy: 1.5191476452925228
Energy: 1.5230137734488303
Energy: 1.1683831079967237
Energy: 1.2555217787613073
Energy: 1.169620952394268
Energy: 1.5863357846020378
Energy: 1.1088985524144543
Energy: 1.0493179327915958
Energy: 1.4254208640713122
Energy: 1.170950705618437
Energy: 1.0960265809532295
Energy: 1.4311211810142312
Energy: 1.5281941537912336
Energy: 1.3328735763515678
Energy: 1.3708600787677425
Energy: 1.643721409884649
Energy: 1.181131085175968
Energy: 1.6761715425787358
Energy: 1.1662876588225544
Energy: 1.173222709549278
Energy: 1.1506556984871747
Energy: 1.1683052542632548
Energy: 1.1085710181788195
Energy: 1.3705744593855247
Energy: 1.0935906369916848
Energy: 1.0777472088658964
Energy: 1.027440325112906
Energy: 1.0764560587696226
Energy: 1.1130222668856224
Energy: 1.2065248237676216
Energy: 1.4031439600638318
Energy: 1.2191660003839042
Energy: 1.183470245901921
Energy: 1.385071864537875
Energy: 1.183955479369187
Energy: 1.5872598745052595
Energy: 1.1030521154829314
Energy: 1.0325132225019367
Energy: 1.197480432124549
Energy: 1.1856313026829124
Energy: 0.9926242516483939
Energy: 1.5176415015508722
Energy: 1.3679871504235617
Energy: 1.3703726759120012
Energy: 1.5171612094825535
Energy: 1.3660315975860151
Energy: 1.232273632203337
Energy: 1.0294680381980892
Energy: 0.9638162459452025
Energy: 1.0273383351233258
Energy: 1.0293803050077313
Energy: 1.0382093500462366
Energy: 0.9915950897732403
Energy: 1.0323624484146507
Energy: 0.9683263083758175
Energy: 1.0282551924703045
Energy: 1.034784952312261
Energy: 0.9408420215377509
Energy: 1.0284856512524307
Energy: 0.938411649036532
Energy: 0.9670368531637973
Energy: 0.9659306022158447
Energy: 0.9392807554210028
Energy: 0.9393813095980136
Energy: 1.0556124641846811
Energy: 1.5532896401900185
Energy: 0.9920469330179793
Energy: 0.9917365991297149
Energy: 1.1885583325554125
Energy: 0.9414071177835449
Energy: 0.9602624817907783

minimum gb energy = 0.9019674488556062 eV
minimum distance =  2.3255407234756 Angstroms
sigma value = 41


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

Energy: 1.8572125023755492
Energy: 1.0790380310802499
Energy: 1.0789319842109166
Energy: 1.4784828725657286
Energy: 1.1276718490456248
Energy: 1.391751748480349
Energy: 1.0875611505906264
Energy: 1.036273449848434
Energy: 1.1010387116119327
Energy: 1.0627400747434932
Energy: 1.0360657965545765
Energy: 1.066156883070182
Energy: 1.0389463126455747
Energy: 1.0389134319991873
Energy: 1.0399931537506237
Energy: 1.0386058240272729
Energy: 1.0377789386506782
Energy: 1.0332819557975996
Energy: 1.038120728082604
Energy: 1.1142141724313055
Energy: 1.11685156060657
Energy: 1.0377806305007362
Energy: 1.037796914614476
Energy: 1.1046395841075862
Energy: 1.0366410961101973
Energy: 1.1675002750211778
Energy: 1.1014313524336101
Energy: 1.0367164703795586
Energy: 1.135430443291338
Energy: 1.13585468875792
Energy: 1.4692914112779782
Energy: 1.137040508823117
Energy: 1.1844179787394087
Energy: 1.4694498873123834
Energy: 1.038284717742947
Energy: 1.1364615216318807
Energy: 1.1641628082871613
Energy: 1.1029602939408396
Energy: 1.0675165305950893
Energy: 1.0365280682724676
Energy: 1.118909096815655
Energy: 1.1362165269131195
Energy: 1.0889283691566196
Energy: 1.2096656147193063
Energy: 1.2100083208294878
Energy: 1.089456157939307
Energy: 1.2094835572460825
Energy: 1.1153569987732659
Energy: 1.469294759262674
Energy: 1.079069538522673
Energy: 1.0681842892136764
Energy: 1.071656251214192
Energy: 1.1361735709381926
Energy: 1.0672334523582334
Energy: 1.4354980608020487
Energy: 1.0365537940556897
Energy: 1.184048335865042
Energy: 1.3319645048121798
Energy: 1.184067259225414
Energy: 1.0375921234437204
Energy: 1.1633068770645485
Energy: 1.0385049695725195
Energy: 1.1116033155975824
Energy: 1.0361883443941033
Energy: 1.0361734203562283
Energy: 1.0660855458105654
Energy: 1.471582713588034
Energy: 1.0144848783493217
Energy: 1.1294909127596462
Energy: 1.4693731863395707
Energy: 0.9808791429128145
Energy: 1.1138516046947693
Energy: 1.1840959263823854
Energy: 0.9815706080132358
Energy: 1.0891550209679983
Energy: 1.1841056438162603
Energy: 0.9813683680226952
Energy: 1.3668372130887083
Energy: 1.1363535859968301
Energy: 1.1133774111301276
Energy: 1.0674049798741172
Energy: 1.1364920576427717
Energy: 1.0942519654435865
Energy: 1.1000680008215131
Energy: 1.195981833104264
Energy: 1.3609052292416237
Energy: 1.314955579148885
Energy: 1.1962717581027695
Energy: 1.3367075846142888
Energy: 1.1961442481788753
Energy: 1.0361588440471359
Energy: 1.0421396041300923
Energy: 1.1359071363814761
Energy: 1.098641992469926
Energy: 1.0363834010277257
Energy: 1.0662251449803555
Energy: 1.781622350356268
Energy: 1.06319930810828
Energy: 0.9819696130745525
Energy: 1.4630799547194795
Energy: 1.5619802864352972
Energy: 1.415036792226351
Energy: 1.0874116104925082
Energy: 1.061943626749048
Energy: 1.1361975624106448
Energy: 1.2871537298633358
Energy: 1.0366922969951282
Energy: 1.0540477946510027
Energy: 1.037270942877773
Energy: 1.079241853516168
Energy: 1.0780339979797569
Energy: 1.037082748941979
Energy: 1.037871611803085
Energy: 1.0563051157487224
Energy: 1.0388047066107686
Energy: 1.1050095626092324
Energy: 1.066365232084928
Energy: 1.0392191237566897
Energy: 1.0389690485344292
Energy: 1.0393862105752834
Energy: 1.0361920105399272
Energy: 1.0689140593764497
Energy: 1.0670282167800984
Energy: 1.0361000172337012
Energy: 1.1493269367640098
Energy: 1.1351636604249837
Energy: 1.6761421156528042
Energy: 1.2384031423637318
Energy: 1.2383737431052155
Energy: 1.6759785455602367
Energy: 1.739855945939435
Energy: 1.2419576288122955
Energy: 1.4688801725037821
Energy: 1.0682221318054301
Energy: 1.0685666280827604
Energy: 1.0361060704881595
Energy: 1.1722449725665218
Energy: 1.1361513257821247
Energy: 1.088165109098783
Energy: 1.197344327241892
Energy: 1.2275372257571662
Energy: 1.0890329503176415
Energy: 1.1960260424979552
Energy: 1.1158045191317227
Energy: 1.4697111805544139
Energy: 1.079026960474236
Energy: 1.0672295578209885
Energy: 1.0366005651490127
Energy: 1.1376485782977952
Energy: 1.0665522717714602
Energy: 1.1631980248449825
Energy: 1.036540078029299
Energy: 1.0385932536802065
Energy: 1.036033618222431
Energy: 1.183745696015921
Energy: 1.0661643762465822
Energy: 1.4355379253643714
Energy: 1.1840403565340636
Energy: 1.0370318151165945
Energy: 1.3343043261800507
Energy: 1.4694824667020665
Energy: 1.0760460769309228
Energy: 1.4695732523065668
Energy: 1.0141714868781158
Energy: 1.162113124897332
Energy: 1.0393151358930974
Energy: 0.9804179553392677
Energy: 1.0708289720964905
Energy: 1.1842962694301842
Energy: 1.4706939507161796
Energy: 1.4189879301084274
Energy: 1.1843495302598308
Energy: 1.4708491815554303
Energy: 1.418936228151205
Energy: 1.1356126057651157
Energy: 1.1121675761041112
Energy: 1.1021267728365391
Energy: 1.1359236373579602
Energy: 1.0701975131225705
Energy: 1.1638819755024399
Energy: 1.2085472354465367
Energy: 1.2920780442157112
Energy: 1.1795482174428251
Energy: 1.2088776175411964
Energy: 1.347808012239819
Energy: 1.1783481491033787
Energy: 1.0363808078231305
Energy: 1.077245170682848
Energy: 1.103329944830882
Energy: 1.0365409205462157
Energy: 1.0368129809932816
Energy: 1.0794077161351803
Energy: 1.5094699178356166
Energy: 1.0623719541314771
Energy: 1.0149625906046582
Energy: 0.9867977320431072
Energy: 1.471266178816049
Energy: 1.0478325203811774

minimum gb energy = 0.9804179553392677 eV
minimum distance =  2.32059281887778 Angstroms
sigma value = 33


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

Energy: 1.4123726710296949
Energy: 1.3060196874539274
Energy: 1.30521699451983
Energy: 1.4148542798413721
Energy: 1.334669269356331
Energy: 1.3040199132523376
Energy: 1.320071581268025
Energy: 1.1370585003862497
Energy: 1.0984790332099053
Energy: 1.1027698850744776
Energy: 1.1393968524494316
Energy: 1.0978152696920684
Energy: 1.1446918760489262
Energy: 1.1028701721762046
Energy: 1.1016005512717784
Energy: 1.1447142880097594
Energy: 1.1012581283633056
Energy: 1.1055759216572623
Energy: 1.1474595396842033
Energy: 1.135691242275916
Energy: 1.1021944164381088
Energy: 1.1448778254636092
Energy: 1.1888513759679749
Energy: 1.100954817551305
Energy: 1.1377185143471147
Energy: 1.1025758051564878
Energy: 1.0649799475815906
Energy: 1.1373693130773788
Energy: 1.1447619068550434
Energy: 1.065476114192257
Energy: 1.2159280721146581
Energy: 1.0724483774863007
Energy: 1.0717468793677152
Energy: 1.2164677522494671
Energy: 1.5294024659774579
Energy: 1.0707543874894851
Energy: 1.3247090626618665
Energy: 1.0648926393934606
Energy: 1.1024518630290439
Energy: 1.1419544878660013
Energy: 1.1015298952447385
Energy: 1.1006274889672578
Energy: 1.210532640328803
Energy: 1.1982676524985516
Energy: 1.1412947120911496
Energy: 1.2168142186714277
Energy: 1.1982270842335982
Energy: 1.0835504355520043
Energy: 1.214201358207549
Energy: 1.0628185943467883
Energy: 1.0623807798341307
Energy: 1.224713021882949
Energy: 1.0653521094415008
Energy: 1.062198068430436
Energy: 1.3113272102579199
Energy: 1.0673501707017312
Energy: 1.1499589717019947
Energy: 1.1439083689346128
Energy: 1.0661531926382695
Energy: 1.1497598287191249
Energy: 1.311621327569755
Energy: 1.1842710363339526
Energy: 1.103985009172571
Energy: 1.145883955170028
Energy: 1.149671116360012
Energy: 1.1018169069276522
Energy: 1.2145082338873878
Energy: 1.063818228782033
Energy: 1.063445278667755
Energy: 1.2150734931003464
Energy: 1.068780307833954
Energy: 1.0634770969005745
Energy: 1.2224608451093217
Energy: 1.063827907651449
Energy: 1.0629829335466427
Energy: 1.2295968497048138
Energy: 1.0677870957514572
Energy: 1.2270791714496354
Energy: 1.142138722143227
Energy: 1.182784304762666
Energy: 1.1009612844637184
Energy: 1.1436903930945488
Energy: 1.2214898973172068
Energy: 1.0997962359289455
Energy: 1.0641443223150793
Energy: 1.1049597452120699
Energy: 1.1405846442975214
Energy: 1.1450537725520504
Energy: 1.1944810063383458
Energy: 1.1024026754123324
Energy: 1.1380409334776243
Energy: 1.1881154538573337
Energy: 1.189777735238434
Energy: 1.1495633239376415
Energy: 1.1408764314247075
Energy: 1.0983842862286648
Energy: 1.6967097865829561
Energy: 1.2556894684055777
Energy: 1.416563853936909
Energy: 1.529749818094083
Energy: 1.254097682139373
Energy: 1.0668462896181348
Energy: 1.316861741092182
Energy: 1.1400261002969978
Energy: 1.2015257583280967
Energy: 1.1444126670860506
Energy: 1.2254461748486747
Energy: 1.0624835364545584
Energy: 1.1452469488679984
Energy: 1.0636525828970746
Energy: 1.06722212602472
Energy: 1.146600584454922
Energy: 1.2164924582045598
Energy: 1.1027755287166303
Energy: 1.0663355276899356
Energy: 1.0629111091429297
Energy: 1.0633672014939832
Energy: 1.0664525152347442
Energy: 1.2170534388041403
Energy: 1.1053894053459463
Energy: 1.0650515212378033
Energy: 1.1064388740513438
Energy: 1.0637959195506794
Energy: 1.0657916527981681
Energy: 1.1887102291435092
Energy: 1.0619668813898762
Energy: 1.195052106248902
Energy: 1.1532592018555488
Energy: 1.1536173466506112
Energy: 1.192811582607968
Energy: 1.1530408486468797
Energy: 1.417108415439984
Energy: 1.2362328631916404
Energy: 1.1890245303413152
Energy: 1.101522480681562
Energy: 1.099971250204245
Energy: 1.1389105253069252
Energy: 1.063632664622712
Energy: 1.2172427106424701
Energy: 1.9340351702298815
Energy: 1.505837562317983
Energy: 1.227170714200269
Energy: 1.4942177354403807
Energy: 1.2277258447985184
Energy: 1.3124294382156154
Energy: 1.1369094526660426
Energy: 1.1000332385895675
Energy: 1.0662777321787305
Energy: 1.1380646024530914
Energy: 1.0994932866437714
Energy: 1.148769780507604
Energy: 1.1899079011619333
Energy: 1.1002414857671412
Energy: 1.1441526791007652
Energy: 1.1933226623346345
Energy: 1.105323264389142
Energy: 1.1443933655954293
Energy: 1.1039029616642346
Energy: 1.140493231668728
Energy: 1.1444054293920074
Energy: 1.189977085850018
Energy: 1.1020869776606161
Energy: 1.1403627113687493
Energy: 1.0639657361141943
Energy: 1.062356519864176
Energy: 1.1391207556058875
Energy: 1.145385788493695
Energy: 1.099069814949236
Energy: 1.5315721943277896
Energy: 1.0729637722111927
Energy: 1.0719612338378364
Energy: 1.5318207189984085
Energy: 1.5301423461881436
Energy: 1.0728345157051522
Energy: 1.2137136107148339
Energy: 1.0627178819144685
Energy: 1.0619277528567672
Energy: 1.1384111862368569
Energy: 1.1014369642183073
Energy: 1.1014358049456707
Energy: 1.215310801473218
Energy: 1.1917228969006908
Energy: 1.081145952310087
Energy: 1.2158759138965616
Energy: 1.1017751338815107
Energy: 1.079396707420597
Energy: 1.2163917505344
Energy: 1.0653258149442868
Energy: 1.0639291141480418
Energy: 1.1406596645373697
Energy: 1.0668275880731417
Energy: 1.0625234506311092
Energy: 1.3114256636320518
Energy: 1.1497416941821705
Energy: 1.1498449667238364
Energy: 1.145041730891957
Energy: 1.1500018814422555
Energy: 1.1032076379576443
Energy: 1.3113077794237187
Energy: 1.2190330666350286
Energy: 1.104111360479506
Energy: 1.1494861839448012
Energy: 1.4151614883578585
Energy: 1.1035765553138868
Energy: 1.2162276497418627
Energy: 1.0638555472134352
Energy: 1.063984994661393
Energy: 1.2175382175587868
Energy: 1.0678362981205132
Energy: 1.0625619871303276
Energy: 1.1485048571858525
Energy: 1.1846643266783556
Energy: 1.227283154266214
Energy: 1.1407529973814177
Energy: 1.227598491708526
Energy: 1.2270962745379088
Energy: 1.1391953052563928
Energy: 1.183825134120144
Energy: 1.1010630358741453
Energy: 1.1404387236215536
Energy: 1.2219640369463287
Energy: 1.0993506382303504
Energy: 1.0900157800035026
Energy: 1.1016803339821684
Energy: 1.1018776157829917
Energy: 1.0898501664162696
Energy: 1.1454886996181461
Energy: 1.1013747820453428
Energy: 1.1383347915911395
Energy: 1.1885913163826827
Energy: 1.1873755970242423
Energy: 1.1511437953533241
Energy: 1.1436509209968326
Energy: 1.0983759468084449
Energy: 1.6961514095299328
Energy: 1.2216004128960074
Energy: 1.1776623173181326
Energy: 1.5291434873742848
Energy: 1.1382758982226624
Energy: 1.0641765649751151
Energy: 1.3164124783262956
Energy: 1.1736182933924098
Energy: 1.1785735599378189
Energy: 1.1472748286702266
Energy: 1.2216891396691558
Energy: 1.065031502341336
Energy: 1.1425275031991453
Energy: 1.0635772395294498
Energy: 1.0642459999980256
Energy: 1.153124223331561
Energy: 1.2157135173427525
Energy: 1.102820067850493
Energy: 1.149406625613018
Energy: 1.0633329400837197
Energy: 1.0661217794679718
Energy: 1.149506102312839
Energy: 1.2159994067977682
Energy: 1.0641444617975047
Energy: 1.062945347796082
Energy: 1.062369443570041
Energy: 1.0645721154775494
Energy: 1.0640943137703531
Energy: 1.0622917506625478
Energy: 1.0622389059554604
Energy: 1.1044224657424764
Energy: 1.0742262950597672
Energy: 1.1021537100929193
Energy: 1.1044732111776197
Energy: 1.1524004769696694
Energy: 1.1876553787337663
Energy: 1.137472010704078
Energy: 1.1902308634858065
Energy: 1.1001928391453988
Energy: 1.0666199213719865
Energy: 1.1393873570808697
Energy: 1.1026044853951584
Energy: 1.4051690756311155
Energy: 1.49840878103076
Energy: 1.2271585990080132
Energy: 1.0702099285858213
Energy: 1.4957666993951897
Energy: 1.2272964492243574

minimum gb energy = 1.0619277528567672 eV
minimum distance =  2.30504223692725 Angstroms
sigma value = 67


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

Energy: 1.655480581383818
Energy: 1.1242416665287482
Energy: 1.1198615381527914
Energy: 1.6577385178071857
Energy: 2.3562012128990975
Energy: 1.119878716986819
Energy: 1.3818875358719478
Energy: 1.1417601532779103
Energy: 1.1411294668577943
Energy: 1.2454407702139967
Energy: 1.2221744736000384
Energy: 1.1442920814806008
Energy: 1.247635401383108
Energy: 1.084910185889185
Energy: 1.1375286701442888
Energy: 1.2473191156669805
Energy: 1.084725007875626
Energy: 1.1374250704762132
Energy: 1.2442844941337288
Energy: 1.1510101900691967
Energy: 1.1347716250286604
Energy: 1.2443467445574308
Energy: 1.1505456921173778
Energy: 1.135353577522789
Energy: 1.2235275760430093
Energy: 1.1523006331849883
Energy: 1.1525563549087083
Energy: 1.2241352213294192
Energy: 1.1523231017061732
Energy: 1.1525565828227986
Energy: 1.2253539126870951
Energy: 1.1299405341757287
Energy: 1.1655848631017467
Energy: 1.2254316503653653
Energy: 1.3801582536642711
Energy: 1.2255071598390335
Energy: 1.3817717801277059
Energy: 1.151194125181411
Energy: 1.1563876988857165
Energy: 1.381975731909713
Energy: 1.2249372919737886
Energy: 1.1317069119792862

minimum gb energy = 1.084725007875626 eV
minimum distance =  2.35482118492099 Angstroms
sigma value = 3


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

Energy: 2.1912610679904954
Energy: 1.5833696472822854
Energy: 1.4066183224194393
Energy: 1.729926182732471
Energy: 1.6703932207631684
Energy: 1.4058304334245821
Energy: 1.2040816619314358
Energy: 1.2333510464241337
Energy: 1.3195899760296994
Energy: 1.3431518836440006
Energy: 1.4733141232897438
Energy: 1.2118881373499921
Energy: 1.277366767464675
Energy: 1.2046943333804094
Energy: 1.204423413020971
Energy: 1.2776145897317144
Energy: 1.2050197105762779
Energy: 1.2114871965765652
Energy: 1.2187339955713752
Energy: 1.211453222147077
Energy: 1.2115431255967353
Energy: 1.2195093394405805
Energy: 1.2047099413050995
Energy: 1.2112718851977056
Energy: 1.2101674473753765
Energy: 1.2128375771639086
Energy: 1.212364743127743
Energy: 1.2104046976966731
Energy: 1.277655089935371
Energy: 1.2117112817091336
Energy: 1.2101550367782936
Energy: 1.277731329647845
Energy: 1.2129215210952908
Energy: 1.2102638942179311
Energy: 1.3108784262911533
Energy: 1.2125184885595246
Energy: 1.2106942410167625
Energy: 1.2912619000451113
Energy: 1.2603984341355539
Energy: 1.290555509973838
Energy: 1.4480951653751322
Energy: 1.2859938202235948
Energy: 2.0191785360696235
Energy: 1.6520273096959721
Energy: 1.536259960742337
Energy: 1.21377165002983
Energy: 1.650863936937304
Energy: 1.4193522390405853
Energy: 1.2126870459103247
Energy: 1.2343752859570198
Energy: 1.3135765886346296
Energy: 1.293055580610915
Energy: 1.2768470106036383
Energy: 1.2342514346441076
Energy: 1.3793626009758901
Energy: 1.2409684895361976
Energy: 1.2409334872874844
Energy: 1.378952620298737
Energy: 1.2616102251136376
Energy: 1.3646249495034914
Energy: 1.39025902262969
Energy: 1.2645847423203498
Energy: 1.2651964660649904
Energy: 1.3913558785839606
Energy: 1.30541505326797
Energy: 1.2730633954085213
Energy: 1.3829745242866565
Energy: 1.2636221700319141
Energy: 1.2127555050072139
Energy: 1.383912769529205
Energy: 1.2116700756711265
Energy: 1.2136117579711068
Energy: 1.3629761610033648
Energy: 1.2122075293838206
Energy: 1.2138030338860788
Energy: 1.3398915881506022
Energy: 1.2113759860267694
Energy: 1.2141022529755485
Energy: 1.3567336272727957
Energy: 1.2111735916104878
Energy: 1.211556017342576
Energy: 1.3588118333259036
Energy: 1.218309017438981
Energy: 1.2118200889558037
Energy: 1.7678778824338537
Energy: 1.2141727896867707
Energy: 1.2134626754324531
Energy: 1.2620771995686306
Energy: 1.2132758839125817
Energy: 1.2145862741178615
Energy: 1.347119799709143
Energy: 1.2127666851649974
Energy: 1.2124800502177617
Energy: 1.4393801938099693
Energy: 1.270054470321878
Energy: 1.2743786768032133
Energy: 1.6144365199656876
Energy: 1.293543297794918
Energy: 1.2930181844522142
Energy: 1.6156794239664247
Energy: 1.3448943818302155
Energy: 1.45344642707136
Energy: 1.3471625956554818
Energy: 1.286782375515903
Energy: 1.284478202068037
Energy: 1.3479686371397133
Energy: 1.4212783243014833
Energy: 1.2818201094569688
Energy: 1.4814482406554352
Energy: 1.4014100196374712
Energy: 1.2559641769183933
Energy: 1.4018733400900951
Energy: 1.2116569577933145
Energy: 1.210600791300794
Energy: 1.5709811373613283
Energy: 1.2836843353261567
Energy: 1.2565643436365836
Energy: 1.21259118076032
Energy: 1.2838460232291522
Energy: 1.2108905008910527
Energy: 1.2873840163700365
Energy: 1.3031807293314006
Energy: 1.2833479888976846
Energy: 1.2896681704059831
Energy: 1.2989645323252483
Energy: 1.285043181665301
Energy: 1.289763328957221
Energy: 1.295750501732664
Energy: 1.289273572357778
Energy: 1.2928408126868025
Energy: 1.2822618105939534
Energy: 1.2890424463713017
Energy: 1.2872780614602215
Energy: 1.2862562245090017
Energy: 1.3594705611911075
Energy: 1.290036781115019
Energy: 1.306490874438049
Energy: 1.3435395578738114
Energy: 1.2877677420291689
Energy: 1.213114697332504
Energy: 1.2126249288999786
Energy: 1.2878826218134556
Energy: 1.2149872095115164
Energy: 1.2888154791306305
Energy: 1.210247409027718
Energy: 1.1982125681844444
Energy: 1.1979248333353743
Energy: 1.2115928979447637
Energy: 1.427017064961098
Energy: 1.198002241518613
Energy: 1.6955420547658064
Energy: 1.4140640313351382
Energy: 1.3863975898944743
Energy: 1.1997486013663228
Energy: 1.4096398206116403
Energy: 1.1982192336305584
Energy: 1.3424677732925174
Energy: 1.3958786315121419
Energy: 1.3862381118839577
Energy: 1.3142501704217449
Energy: 1.472144801571789
Energy: 1.1981704313862473
Energy: 1.1977213541917986
Energy: 1.1981106215241828
Energy: 1.1979622021459928
Energy: 1.1979848673265459
Energy: 1.5372221241582587
Energy: 1.1982063258881799
Energy: 1.2283526531776423
Energy: 1.205266664920011
Energy: 1.205093826652023
Energy: 1.228058389830276
Energy: 1.2055982778083525
Energy: 1.2292205815960182
Energy: 1.2279564504665401
Energy: 1.2854820869212078
Energy: 1.268079089497438
Energy: 1.2308427237204052
Energy: 1.2796659745251415
Energy: 1.242859118916598
Energy: 1.2298540776468754
Energy: 1.2758830945730324
Energy: 1.2623548824684716
Energy: 1.2290794968933212
Energy: 1.3374289257820497
Energy: 1.2830597960708385
Energy: 1.237940708013336
Energy: 1.284730314913983
Energy: 1.2840692722483018
Energy: 1.238703523542913
Energy: 1.4791207890990818
Energy: 1.2622505415315848
Energy: 1.8115559401106918
Energy: 1.4226785149791483
Energy: 1.3427027756915282
Energy: 1.2128178755095602
Energy: 1.4227848406454955
Energy: 1.2932438459656372
Energy: 1.2399686381921444
Energy: 1.3418408864827545
Energy: 1.2127988095585682
Energy: 1.2946183943488747
Energy: 1.2118226466241382
Energy: 1.2135732877692524
Energy: 1.2351017672893643
Energy: 1.2645202627031007
Energy: 1.2652214447253147
Energy: 1.234868281219232
Energy: 1.3061659608547946
Energy: 1.2616017318190764
Energy: 1.410973639260341
Energy: 1.2411023746339633
Energy: 1.2411809848311592
Energy: 1.4114082661078144
Energy: 1.2132395636913964
Energy: 1.3644474924949574
Energy: 1.2928693873147468
Energy: 1.2119752127032026
Energy: 1.2118852065240258
Energy: 1.3882684963589866
Energy: 1.278059377377055
Energy: 1.3617193470311242
Energy: 1.364801590719919
Energy: 1.2134856557392188
Energy: 1.212893780682226
Energy: 1.359881272258996
Energy: 1.2119323284553571
Energy: 1.372801379222642
Energy: 1.360390496880015
Energy: 1.2115707151690425
Energy: 1.2114926320030293
Energy: 1.3621827785182428
Energy: 1.2188330863774468
Energy: 1.2118556550414867
Energy: 1.44973955140415
Energy: 1.2119903573455526
Energy: 1.2131651589548085
Energy: 1.261714259250701
Energy: 1.2113478320109996
Energy: 1.213675523746858
Energy: 1.4422102776864079
Energy: 1.2119609371182818
Energy: 1.2115460014132378
Energy: 1.444044533761444
Energy: 1.2113014058897744
Energy: 1.2116002054977328
Energy: 1.4398134488200747
Energy: 1.3842659329669653
Energy: 1.3709966464096004
Energy: 1.4397181596021091
Energy: 1.2539167523713266
Energy: 1.2997662131542231
Energy: 1.6343671608308359
Energy: 1.2930586239290487
Energy: 1.293361649207878
Energy: 1.6290531240385995
Energy: 1.2040689217015912
Energy: 1.3404271802421164
Energy: 1.3269808687371438
Energy: 1.2136620203866084
Energy: 1.2117723411615184
Energy: 1.291283168588009
Energy: 1.35955715625699
Energy: 1.2117541108614045
Energy: 1.8982804587012527
Energy: 1.271222638406283
Energy: 1.2943582729248593
Energy: 1.9042743789970862
Energy: 1.2704533329103849
Energy: 1.2928923334143112
Energy: 1.2723380030779752
Energy: 1.2695263089598363
Energy: 1.2676918083516653
Energy: 1.2946151454930357
Energy: 1.2740121429295357
Energy: 1.292062815145618
Energy: 1.2736719490233512
Energy: 1.2945853777591432
Energy: 1.2490647606676484
Energy: 1.2727072574876575
Energy: 1.3055684178973659
Energy: 1.2500675823637304
Energy: 1.2836984999339027
Energy: 1.2553016900169536
Energy: 1.2547366723039035
Energy: 1.2703877147479508
Energy: 1.2913418719226426
Energy: 1.254330523434739
Energy: 1.2803573307051588
Energy: 1.2110655346128012
Energy: 1.211658510515447
Energy: 1.2809866666966863
Energy: 1.2119603833380679
Energy: 1.2114667059254927
Energy: 1.3330908894728275
Energy: 1.211517122221857
Energy: 1.210783062215761
Energy: 1.2131123114649836
Energy: 1.2127050156559576
Energy: 1.2114706408721383
Energy: 1.2038299344135945
Energy: 1.2625093772196503
Energy: 1.252884580136273
Energy: 1.3282419533942662
Energy: 1.2990287623345351
Energy: 1.3079454734965286

minimum gb energy = 1.1977213541917986 eV
minimum distance =  2.29711931858507 Angstroms
sigma value = 81


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

Energy: 2.199019301979852
Energy: 1.3591813016057517
Energy: 1.227081879028904
Energy: 1.223908583515789
Energy: 1.1991773722792505
Energy: 1.2925440137741602
Energy: 1.244252360489344
Energy: 1.2492533183624435
Energy: 1.2003262856185637
Energy: 1.2796222563824133
Energy: 1.273109074990407
Energy: 1.2959324155450664
Energy: 1.2858098004409657
Energy: 1.2179949730648738
Energy: 1.2181124810405055
Energy: 1.1993664078305333
Energy: 1.2873762350742244
Energy: 1.3121828256671644
Energy: 1.2872514219965043
Energy: 1.2190173963051139
Energy: 1.326344754480014
Energy: 1.2847338377564046
Energy: 1.2382588482873431
Energy: 1.3142729394878387
Energy: 1.2876362558036416
Energy: 1.317448295114273
Energy: 1.3429681140054601
Energy: 1.285570029541881
Energy: 1.3580785725292068
Energy: 1.354894930487296
Energy: 1.2884066742269655
Energy: 1.2994019860446033
Energy: 1.298672033419265
Energy: 1.3038408169846554
Energy: 1.3422746535775942
Energy: 1.2983081955352538
Energy: 1.2874630096526178
Energy: 1.2893188197103438
Energy: 1.3969908208247939
Energy: 1.3064716882831202
Energy: 1.2894194613538115
Energy: 1.3419874822767706
Energy: 1.7432070727455387
Energy: 1.7192677959043472
Energy: 1.5627674229554978
Energy: 1.742456537859601
Energy: 1.5800727928624256
Energy: 1.355277977048825
Energy: 1.287438360462369
Energy: 1.3095289588029277
Energy: 1.3456207900266308
Energy: 1.3179243895467818
Energy: 1.311660040947882
Energy: 1.3659819196666352
Energy: 1.3810818080916947
Energy: 1.1706115568714468
Energy: 1.170242874202409
Energy: 1.3958383684048663
Energy: 1.1707817469349207
Energy: 1.170152462478655
Energy: 1.295205925846375
Energy: 1.1695471441228542
Energy: 1.1694294110947288
Energy: 1.3003115361786444
Energy: 1.1692517160720886
Energy: 1.2669260695239697
Energy: 1.2372761508912984
Energy: 1.4104173072971808
Energy: 1.2934620173468878
Energy: 1.2379053536889324
Energy: 1.3010870437353634
Energy: 1.2943325264850942
Energy: 1.2384876689161786
Energy: 1.290746109066578
Energy: 1.4021792058494724
Energy: 1.2384949190318288
Energy: 1.2895846490102871
Energy: 1.2622889576592007
Energy: 1.2942332284743283
Energy: 1.2888432285243971
Energy: 1.3474431872504822
Energy: 1.3160923730217726
Energy: 1.2913478146710766
Energy: 1.3452693456887495
Energy: 1.7949025937536476
Energy: 1.4432879731839772
Energy: 1.3921235667693863
Energy: 1.346272291443545
Energy: 1.3841931747162153
Energy: 1.339986166020474
Energy: 1.29444388891195
Energy: 1.3454791495141727
Energy: 1.3435063097755442
Energy: 1.2946408818648392
Energy: 1.3550136593896114
Energy: 1.346067074006996
Energy: 1.5533568217051852
Energy: 1.2207701201078707
Energy: 1.2942472121833848
Energy: 1.553034376427318
Energy: 1.3127251027375197
Energy: 1.3520964753972453
Energy: 1.2691114343408303
Energy: 1.3833468830728892
Energy: 1.3525833682603745
Energy: 1.3065339612539386
Energy: 1.3254813370084144
Energy: 1.3513450748381333
Energy: 1.1718511920726997
Energy: 1.2704828209521724
Energy: 1.1695210997165568
Energy: 1.2104507241250815
Energy: 1.3012177464988497
Energy: 1.1694165768294402
Energy: 1.1722338935104246
Energy: 1.349574023577145
Energy: 1.1695212561823907
Energy: 1.1704027976228955
Energy: 1.3054972689175801
Energy: 1.1696222779782006
Energy: 1.2689687578103002
Energy: 1.289599011320359
Energy: 1.3709728304275512
Energy: 1.3068585625935127
Energy: 1.3256075081952778
Energy: 1.4196794320760229
Energy: 1.290905985231592
Energy: 1.294146437523108
Energy: 1.2789862815952269
Energy: 1.2906808000316086
Energy: 1.2389610748617375
Energy: 1.3847553792712273
Energy: 1.2885025791607767
Energy: 1.344437574543393
Energy: 1.342733252955129
Energy: 1.2893685466090068
Energy: 1.3277066910841517
Energy: 1.2901139029263442
Energy: 1.2904009296155676
Energy: 1.3433644993962608
Energy: 1.3429936975011505
Energy: 1.2915637161810012
Energy: 1.3851613983524893
Energy: 1.3430383431489012
Energy: 1.2892843003126302
Energy: 1.3304778151087937
Energy: 1.3243047374679202
Energy: 1.3122309467341668
Energy: 1.2943996610792947
Energy: 1.341131948747327
Energy: 1.6708237898679246
Energy: 1.5517035186944332
Energy: 1.2912521344016028
Energy: 1.2807839365039406
Energy: 1.5510696341704449
Energy: 1.3311063428168197
Energy: 1.2456374733364026
Energy: 1.3154582731153817
Energy: 1.295051381800678
Energy: 1.2807351571161538
Energy: 1.3009868902902195
Energy: 1.3361419977224291
Energy: 1.289096426193618
Energy: 1.1694543643361737
Energy: 1.343874472663193
Energy: 1.29695465257473
Energy: 1.1691724934296714
Energy: 1.2672250096691
Energy: 1.2961461625218527
Energy: 1.1712864249753372
Energy: 1.1707173801248367
Energy: 1.301119811454964
Energy: 1.1714323858536693
Energy: 1.1707807404034924
Energy: 1.2907308164992464
Energy: 1.4155984902168484
Energy: 1.3447601889112797
Energy: 1.318569275410095
Energy: 1.3113099844336455
Energy: 1.3494442685989414
Energy: 1.2398603197182134
Energy: 1.342889723497315
Energy: 1.3056237797553465
Energy: 1.2397794479408364
Energy: 1.4258505229560878
Energy: 1.3055485786519518
Energy: 1.2924640627428163
Energy: 1.2833923625438277
Energy: 1.2835296431553325
Energy: 1.3060831311468108
Energy: 1.2841228571443435
Energy: 1.285315669749288
Energy: 1.2921587958927927
Energy: 1.3505772981433546
Energy: 1.353537886900008
Energy: 1.3416134099092039
Energy: 1.2852943588325239
Energy: 1.3503738170278219
Energy: 1.291806777800574
Energy: 1.2809939983908973
Energy: 1.292241504929967
Energy: 1.290793921654021
Energy: 1.3579603837454668
Energy: 1.2808851465051403
Energy: 1.2916597167931838
Energy: 1.2468209012069111
Energy: 1.3269733481497141
Energy: 1.2895796056954145
Energy: 1.306640220133276
Energy: 1.2437702509045878
Energy: 1.5553734310998035
Energy: 1.2193434519082142
Energy: 1.2201377150471704
Energy: 1.4692155493767398
Energy: 1.281432151230762
Energy: 1.4352589587830127
Energy: 1.286755447875292
Energy: 1.2493750457706334
Energy: 1.200351998646569
Energy: 1.2799659914527037
Energy: 1.272138484148789
Energy: 1.302278402277132
Energy: 2.199919617861971
Energy: 1.2676161902862915
Energy: 1.2242247021292183
Energy: 1.1722813624771844
Energy: 1.3429401445026627
Energy: 1.2928119740125243

minimum gb energy = 1.1691724934296714 eV
minimum distance =  2.34168988668149 Angstroms
sigma value = 43


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

Energy: 2.234041664268159
Energy: 1.5930410719887824
Energy: 1.4383488368465926
Energy: 1.3055044632928938
Energy: 1.4184624686353628
Energy: 1.3048090699460462
Energy: 1.2129320095733485
Energy: 1.227967702341286
Energy: 1.404934252871068
Energy: 1.3218608363694246
Energy: 1.2400453520092425
Energy: 1.385152959629429
Energy: 1.2384029711926916
Energy: 1.2127046091810358
Energy: 1.2142127817827295
Energy: 1.2382413639562126
Energy: 1.2123136949096927
Energy: 1.2384811750367095
Energy: 1.2367430945386626
Energy: 1.2129523207422088
Energy: 1.242115349729613
Energy: 1.2369351199761238
Energy: 1.4014057102751107
Energy: 1.2417575434383399
Energy: 1.2373157070694305
Energy: 1.2655958139975194
Energy: 1.3109992959880774
Energy: 1.2371775652111097
Energy: 1.2990261446618034
Energy: 1.3112697971507357
Energy: 1.2580195048182774
Energy: 1.3654812144263613
Energy: 1.3114509692545202
Energy: 1.2688225313861443
Energy: 1.237410238041969
Energy: 1.2983605623497043
Energy: 1.2374332937964942
Energy: 1.2564177208403116
Energy: 1.24819249081988
Energy: 1.2375335957880993
Energy: 1.2558743449161305
Energy: 1.2416230116651519
Energy: 1.4127046743744016
Energy: 1.237148717447906
Energy: 1.2380627997072569
Energy: 1.3354048816427384
Energy: 1.2379469434388428
Energy: 1.3349882381536866
Energy: 1.3353568419864426
Energy: 1.2381103296400136
Energy: 1.2382861754123398
Energy: 1.3355451909035347
Energy: 1.2498892649776592
Energy: 1.2499592767607766
Energy: 1.4777754809657973
Energy: 1.333375361314634
Energy: 1.3331245551307103
Energy: 1.478088103370482
Energy: 1.2414449009079611
Energy: 1.3327436664289047
Energy: 1.2189215896751502
Energy: 1.2655010911478124
Energy: 1.3459055340784025
Energy: 1.2190574250396429
Energy: 1.31934120383361
Energy: 1.3166221329168732
Energy: 1.2642376378400486
Energy: 1.249661492891244
Energy: 1.2416459005392204
Energy: 1.2115698926407596
Energy: 1.4422975592307405
Energy: 1.241550035430613
Energy: 1.2666686481931309
Energy: 1.236957450664333
Energy: 1.2583660038345401
Energy: 1.2135338143985608
Energy: 1.3192144970863438
Energy: 1.2582287772408731
Energy: 1.2192477872118686
Energy: 1.251334342720113
Energy: 1.3850069829499645
Energy: 1.2192142269076895
Energy: 1.359970064732655
Energy: 1.3169829627318035
Energy: 1.2199360883519177
Energy: 1.3145356707653837
Energy: 1.2340030733586924
Energy: 1.2196146664974468
Energy: 1.3156995614735445
Energy: 1.2959957061756424
Energy: 1.2209058666961454
Energy: 1.2466563424183144
Energy: 1.219990659744275
Energy: 1.2209305828327688
Energy: 1.3268387260503451
Energy: 1.2197989430810583
Energy: 1.2197672014548193
Energy: 1.2208032586221722
Energy: 1.2208057280477989
Energy: 1.219907476674981
Energy: 1.3824371774504105
Energy: 1.2204777601594536
Energy: 1.219067807269278
Energy: 1.3362687455436
Energy: 1.2308234191558465
Energy: 1.2195178377669724
Energy: 1.3289973212461672
Energy: 1.2310964953269352
Energy: 1.2401187998722596
Energy: 1.2204970201309544
Energy: 1.2200998138267256
Energy: 1.3470316593178313
Energy: 1.2509637517261527
Energy: 1.2365866214895778
Energy: 1.2403200844605673
Energy: 1.2201031532117352
Energy: 1.2200407104924156
Energy: 1.236741516824858
Energy: 1.219235841984938
Energy: 1.237458876658656
Energy: 1.2194615837915552
Energy: 1.328691772220582
Energy: 1.336005971100416
Energy: 1.219071094064709
Energy: 1.2654981212289294
Energy: 1.3465920414833485
Energy: 1.4949036333042682
Energy: 1.2589843099343276
Energy: 1.356830164479835
Energy: 1.4949837411303246
Energy: 1.213296299182386
Energy: 1.430726735605249
Energy: 1.3532982533761364
Energy: 1.2315697332217193
Energy: 1.3464093390120415
Energy: 1.3278864532434829
Energy: 1.261088827216691
Energy: 1.33568187251744
Energy: 1.3756138300739587
Energy: 1.492577415450016
Energy: 1.2201687974986042
Energy: 1.4388372850920008
Energy: 1.3276353530373184
Energy: 1.220235430082373
Energy: 1.3260352970439033
Energy: 1.2183805622663666
Energy: 1.2183434340390062
Energy: 1.3519149642581099
Energy: 1.2186388906628844
Energy: 1.2180735099782571
Energy: 1.3206222304283377
Energy: 1.2186627603074949
Energy: 1.2450646509334327
Energy: 1.3856791769754735
Energy: 1.2196885167398512
Energy: 1.3163348375489488
Energy: 1.3398966791329106
Energy: 1.2206044691807019
Energy: 1.2202623297677742
Energy: 1.3391022517161533
Energy: 1.2205958550112945
Energy: 1.2203803410399128
Energy: 1.3190480457604317
Energy: 1.3579163190259447
Energy: 1.2380101232071197
Energy: 1.3191486180745704
Energy: 1.240414701442277
Energy: 1.2378666651636545
Energy: 1.323145549236187
Energy: 1.2373076864162857
Energy: 1.2360215148879667
Energy: 1.3229860246784881
Energy: 1.3347181374653827
Energy: 1.235494335581552
Energy: 1.236605050234555
Energy: 1.227622765103264
Energy: 1.383255599911364
Energy: 1.338549117371437
Energy: 1.2402120836321433
Energy: 1.2385134016453079
Energy: 2.2381828070428145
Energy: 1.4548810667683325
Energy: 1.4525789409019312
Energy: 1.2593647256330573
Energy: 1.4558415758729064
Energy: 1.4069035876652725

minimum gb energy = 1.2115698926407596 eV
minimum distance =  2.2690418399787 Angstroms
sigma value = 57


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

Energy: 1.8148770329503219
Energy: 1.43055045969201
Energy: 1.3191039126152337
Energy: 1.7264469695212539
Energy: 1.289453052522571
Energy: 1.4498200875532317
Energy: 1.293572025891166
Energy: 1.3228922573201733
Energy: 1.3203811624728878
Energy: 1.240161050004368
Energy: 1.3609614653796274
Energy: 1.3203425440527339
Energy: 1.7659776196626338
Energy: 1.246185455669024
Energy: 1.245107928342922
Energy: 1.6000245560035535
Energy: 1.2459644002680845
Energy: 1.245164065724863
Energy: 1.4097347838451866
Energy: 1.244279599670909
Energy: 1.2752402387818251
Energy: 1.405915883045809
Energy: 1.2439245332388191
Energy: 1.2360858943433795
Energy: 1.4053158138045518
Energy: 1.4436484071682172
Energy: 1.4727400609592258
Energy: 1.404299171648093
Energy: 1.370210405282449
Energy: 1.3937781339803128
Energy: 1.5965546045770196
Energy: 1.3560800718119537
Energy: 1.4060804755981406
Energy: 1.402484207681143
Energy: 1.4047817579344823
Energy: 1.3960115617356743
Energy: 1.4255248559388616
Energy: 1.4036849736034622
Energy: 1.402589194781358
Energy: 1.460940024282369
Energy: 1.4063201897717919
Energy: 1.4037262787458626
Energy: 1.6881077875912567
Energy: 1.4458411108743068
Energy: 1.4634256957188452
Energy: 1.336856709579228
Energy: 1.4967304530392154
Energy: 1.4543391895626439
Energy: 1.4359125133300212
Energy: 1.4531852987293423
Energy: 1.4522018533404042
Energy: 1.4357980637996481
Energy: 1.416758689776806
Energy: 1.4528424108226679
Energy: 1.6909041570337273
Energy: 1.3366699923517507
Energy: 1.3366540760632293
Energy: 1.691164699611186
Energy: 1.336109832852345
Energy: 1.3355372109999362
Energy: 1.5317473425458032
Energy: 1.3350073230982513
Energy: 1.3783461802821921
Energy: 1.3867770759822282
Energy: 1.3719022373884586
Energy: 1.3795447913880332
Energy: 1.175079040567386
Energy: 1.4097865828690206
Energy: 1.4095975515349053
Energy: 1.175161308617915
Energy: 1.6011249109129175
Energy: 1.3579454638420887
Energy: 1.1800840959475696
Energy: 1.4106898486419286
Energy: 1.35913671954525
Energy: 1.3595432009789414
Energy: 1.4113646177860772
Energy: 1.359187058453572
Energy: 1.5303606241329435
Energy: 1.4887500066693422
Energy: 1.3647842053065034
Energy: 1.3881503739329182
Energy: 1.4590277609653408
Energy: 1.3796409605931186
Energy: 1.402248621492093
Energy: 1.244369672924396
Energy: 1.3023944777965863
Energy: 1.4023652959501576
Energy: 1.2737117415097052
Energy: 1.3029869332611097
Energy: 1.4019278814092317
Energy: 1.4150322367075
Energy: 1.4156047819744701
Energy: 1.4033228160661915
Energy: 1.5894052958767904
Energy: 1.4240072994804096
Energy: 1.425763357858183
Energy: 1.4194323037093421
Energy: 1.4633292193745868
Energy: 1.4242453350879285
Energy: 1.4206789820150683
Energy: 1.3904370093714167
Energy: 1.4255558860186444
Energy: 1.4044135778189668
Energy: 1.4031112278249538
Energy: 1.4627282738302514
Energy: 1.404174000050013
Energy: 1.4049311338246748
Energy: 1.4155435921530328
Energy: 1.4044910852069468
Energy: 1.433647997985971
Energy: 1.4553846880767378
Energy: 1.40420287975062
Energy: 1.4320542484672565
Energy: 1.4139283043099307
Energy: 1.419908046497932
Energy: 1.4267572029724993
Energy: 1.4153150503785519
Energy: 1.5997731459757965
Energy: 1.4327885786925967
Energy: 1.4106621928616692
Energy: 1.4413311114115013
Energy: 1.5102438706212218
Energy: 1.416362187826838
Energy: 1.463848588330697
Energy: 1.2374520956735757
Energy: 1.7097003656870116
Energy: 1.3361655471880014
Energy: 1.391934747433913
Energy: 1.4518217042221204
Energy: 1.3366874308964045
Energy: 1.391942502854092
Energy: 1.6056847636779992
Energy: 1.3229654475440522
Energy: 1.3228803673565206
Energy: 1.2379410115896357
Energy: 1.4287040047059982
Energy: 1.2373913183950276
Energy: 1.2952261910572387
Energy: 1.3221909355054962
Energy: 1.3591583462699044
Energy: 1.3597588870781705
Energy: 1.3218188776434636
Energy: 1.4745677890653877

minimum gb energy = 1.175079040567386 eV
minimum distance =  2.33507137876955 Angstroms
sigma value = 17


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

Energy: 1.9396701955626652
Energy: 1.4294283303537902
Energy: 1.424518512918536
Energy: 1.1973484613279795
Energy: 1.3127304605664145
Energy: 1.197099564887661
Energy: 1.1415678683944488
Energy: 1.258316421504077
Energy: 1.2580672537876507
Energy: 1.2740287199257039
Energy: 1.2594476961452967
Energy: 1.2288080214316566
Energy: 1.5642663482646963
Energy: 1.1809200434484342
Energy: 1.1810963137748043
Energy: 1.5665879673433356
Energy: 1.1853970207938054
Energy: 1.14237163409127
Energy: 1.257232649969219
Energy: 1.1809247371763996
Energy: 1.1421523520082846
Energy: 1.2572824557441686
Energy: 1.2460396700571283
Energy: 1.25736109953957
Energy: 1.1326164300168904
Energy: 1.2093555351564829
Energy: 1.2241462354209096
Energy: 1.133397300538391
Energy: 1.208517277793257
Energy: 1.2240240560951474
Energy: 1.6838901770537162
Energy: 1.1158808657145418
Energy: 1.2151638167255185
Energy: 1.2353920417180013
Energy: 1.1156592077496812
Energy: 1.2363128416156028
Energy: 1.2281957977592712
Energy: 1.115173526435465
Energy: 1.1151982067554278
Energy: 1.2281127068815658
Energy: 1.115434156591958
Energy: 1.1865518647669846
Energy: 1.3732498449265984
Energy: 1.2431809602881008
Energy: 1.2442257892053452
Energy: 1.2430695022766363
Energy: 1.2429358399752826
Energy: 1.2610757885306505
Energy: 1.1197147619225034
Energy: 1.2452033134322822
Energy: 1.2433855300402845
Energy: 1.1161783912416208
Energy: 1.1983510177579682
Energy: 1.1159147592603988
Energy: 1.1151950631630339
Energy: 1.215417424977492
Energy: 1.1983599353044339
Energy: 1.1154006167368284
Energy: 1.2157650374007036
Energy: 1.1980620836287537
Energy: 1.3247245858960275
Energy: 1.2251634431673781
Energy: 1.2240997346419065
Energy: 1.3896309368210926
Energy: 1.2591798573390287
Energy: 1.2069569907616624
Energy: 1.2786607322233792
Energy: 1.2573281894607289
Energy: 1.2571473842838468
Energy: 1.3700535731342605
Energy: 1.2579020138632124
Energy: 1.2570955934966168
Energy: 1.256461634842588
Energy: 1.3913957838450945
Energy: 1.2789802815988522
Energy: 1.224781085947869
Energy: 1.3960916483864734
Energy: 1.2801589074057513
Energy: 1.2749495016554253
Energy: 1.2585703478367338
Energy: 1.2780707348207856
Energy: 1.2731209996824033
Energy: 1.2582771907155008
Energy: 1.257956913426021
Energy: 1.2748097797396183
Energy: 1.2573724693092216
Energy: 1.2571236754246495
Energy: 1.2756549776385429
Energy: 1.2573947505306575
Energy: 1.3899035693731838
Energy: 1.56914824983584
Energy: 1.2960189867264817
Energy: 1.229016838778545
Energy: 1.5661968400305375
Energy: 1.2753004388112865
Energy: 1.2577699214362998
Energy: 1.2460546264326233
Energy: 1.2578457067434614
Energy: 1.371812519250414
Energy: 1.2487883964560906
Energy: 1.3937443118259625
Energy: 1.3718338895477766

minimum gb energy = 1.115173526435465 eV
minimum distance =  2.30753627907199 Angstroms
sigma value = 17


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

Energy: 2.021225212401336
Energy: 1.364270288757639
Energy: 1.1539857397809679
Energy: 1.1529986916454975
Energy: 1.2659401444555605
Energy: 1.1539165860655778
Energy: 1.2810435957239024
Energy: 1.2189673030451689
Energy: 1.2278214494760415
Energy: 1.2178482444911074
Energy: 1.2204528408762454
Energy: 1.1395881932226315
Energy: 1.4639728858945913
Energy: 1.142439537911101
Energy: 1.1313214496997754
Energy: 1.4641856008042322
Energy: 1.142608731555759
Energy: 1.1124087251263146
Energy: 1.2201714688978165
Energy: 1.1317926357478765
Energy: 1.12439485049776
Energy: 1.2215259563193646
Energy: 1.027615408462848
Energy: 1.1124475122641626
Energy: 1.0847962591779292
Energy: 1.1325551651389787
Energy: 1.1400026438039448
Energy: 1.085792540811095
Energy: 1.150810705466852
Energy: 1.134043445464381
Energy: 1.1125730714248125
Energy: 1.0681547710022876
Energy: 1.1503309361718266
Energy: 1.1399390832734877
Energy: 1.069452683377849
Energy: 1.1407139952761096
Energy: 1.4203398444692676
Energy: 1.0682072458794254
Energy: 1.0683604823106547
Energy: 1.4220849058997815
Energy: 1.0720388101265115
Energy: 1.1145347272603303
Energy: 1.1899067724502332
Energy: 1.114612442800837
Energy: 1.1262622996001777
Energy: 1.097317644280452
Energy: 1.1151351503036369
Energy: 1.1309571555315152
Energy: 1.0088914209319777
Energy: 1.1263968391876265
Energy: 1.0760902847172746
Energy: 1.0104546945801447
Energy: 1.0082356738422358
Energy: 1.0088340785037333
Energy: 1.0082154596621131
Energy: 1.1202984647605552
Energy: 1.1197976189277024
Energy: 1.0085789089624408
Energy: 1.121364488180813
Energy: 1.119925199520019
Energy: 1.0070573477380076
Energy: 1.0077227110325244
Energy: 1.1200017063777579
Energy: 1.1207046103631004
Energy: 1.0085175428741324
Energy: 1.1202433662342313
Energy: 1.0125178114324263
Energy: 1.008784113023093
Energy: 1.008984437271533
Energy: 1.0140781288496148
Energy: 1.008501415516686
Energy: 1.0760504029441629
Energy: 1.0908863743926958
Energy: 1.079188870787821
Energy: 1.1338407233557504
Energy: 1.128723545397973
Energy: 1.131864620520236
Energy: 1.1265793820650163
Energy: 1.0693523401912282
Energy: 1.1469828643302578
Energy: 1.1469675949141798
Energy: 1.0694968661898434
Energy: 1.1046326284583476
Energy: 1.0684017359425506
Energy: 1.069385301768681
Energy: 1.075525334384569
Energy: 1.0756125707624418
Energy: 1.0691816136217427
Energy: 1.1292640266017688
Energy: 1.131114125148996
Energy: 1.3840317283889776
Energy: 1.2179836482592181
Energy: 1.1406176816553293
Energy: 1.1499932360080043
Energy: 1.217305799605381
Energy: 1.1318899606305253
Energy: 1.008347155402359
Energy: 1.2183763410270705
Energy: 1.2184597409414912
Energy: 1.010112680131428
Energy: 1.2181751499534592
Energy: 1.0680153413003977
Energy: 1.0889744592257133
Energy: 1.3203551141302563
Energy: 1.228002430606053
Energy: 1.0892765938110882
Energy: 1.3211061652046603
Energy: 1.1315024717548763
Energy: 1.3635892089539932
Energy: 1.217590947789754
Energy: 1.1628910499146858
Energy: 1.2284815031315552
Energy: 1.0873594669908324
Energy: 1.1323814558396432
Energy: 1.6564398134505165
Energy: 1.0671735451848177
Energy: 1.1567986421998975
Energy: 1.6562524319862502
Energy: 1.142888996154918
Energy: 1.2345572068415727
Energy: 1.472198548151609
Energy: 1.2183123012083383
Energy: 1.2278543987371333
Energy: 1.3214251949032583
Energy: 1.2179698035560438
Energy: 1.2272523758813643
Energy: 1.02116065727464
Energy: 1.323473600580205
Energy: 1.3203254806405158
Energy: 1.1313649402933743
Energy: 1.3230865726806504
Energy: 1.112372041017539
Energy: 1.0242729090633442
Energy: 1.218866815537459
Energy: 1.2306006467925024
Energy: 1.023280404005788
Energy: 1.2194155011905268
Energy: 1.3195141777682624
Energy: 1.4644769128172608
Energy: 1.1669079379142266
Energy: 1.2275463180031532
Energy: 1.4655188687275054
Energy: 1.1895369018904014
Energy: 1.2170078802835234
Energy: 1.2186887041878565
Energy: 1.1417910001910863
Energy: 1.1313574944327178
Energy: 1.2188471694341791
Energy: 1.1421725200108117
Energy: 1.112259139772976
Energy: 1.2228517300337738
Energy: 1.1472324779335736
Energy: 1.1493604777293327
Energy: 1.2236387496237495
Energy: 1.1516553911479637
Energy: 1.1545160982584135
Energy: 1.1120428379051017
Energy: 1.0680024903791245
Energy: 1.1358672818392423
Energy: 1.139838843324299
Energy: 1.0687816911688621
Energy: 1.1396543425996242
Energy: 0.9924037892145974
Energy: 1.068214304929676
Energy: 1.0685608525826895
Energy: 0.9924159683357376
Energy: 1.0697247851269405
Energy: 1.0685979096145093
Energy: 1.446679152751998
Energy: 1.137879363113319
Energy: 1.1378518600906289
Energy: 1.080073053911316
Energy: 1.0685279633121298
Energy: 1.1382569607643465
Energy: 1.0089216594686963
Energy: 1.11471123491606
Energy: 1.1263353377821927
Energy: 1.0091061190287771
Energy: 1.1151950840368876
Energy: 1.126164023373777
Energy: 1.0153194357766893
Energy: 1.125460771133056
Energy: 1.1245120311968624
Energy: 1.0089045646529595
Energy: 1.1205939059010193
Energy: 1.0753097948911912
Energy: 1.5454330288511877
Energy: 1.121213474029105
Energy: 1.1272735722724272
Energy: 1.1341967244652056
Energy: 1.1308116411855877
Energy: 1.1269909659934076
Energy: 1.10797690571926
Energy: 1.0085143153611322
Energy: 1.008576166701277
Energy: 1.108207774542357
Energy: 1.0097219441033038
Energy: 1.0088166174353534
Energy: 1.6985576896311183
Energy: 1.0782874126378006
Energy: 1.1283453703700563
Energy: 1.128297153842395
Energy: 1.008240331361789
Energy: 1.1483224377305545
Energy: 1.068144604039773
Energy: 1.155386644730553
Energy: 1.1543824778170804
Energy: 1.0681413596282319
Energy: 1.1587379872112005
Energy: 1.1492828336295344
Energy: 1.0687778380845465
Energy: 1.1289586309266715
Energy: 1.1306671549058238
Energy: 1.0687258965582977
Energy: 1.1287295785741762
Energy: 1.1326096617640227
Energy: 1.4065241133743767
Energy: 1.139681136923762
Energy: 1.1393584091824334
Energy: 1.2149289886358552
Energy: 1.0872943857735788
Energy: 1.1306393981897591
Energy: 1.009982597089057
Energy: 1.2180074969814685
Energy: 1.2181544250250445
Energy: 1.0675591894519736
Energy: 1.2189584948601422
Energy: 1.2179206690570636
Energy: 1.2168881522815225
Energy: 1.3205867382610508
Energy: 1.1408758520353366
Energy: 1.1385499003642503
Energy: 1.4661548332502168
Energy: 1.1311897057706286
Energy: 1.3617404641905777
Energy: 1.2184248519843937
Energy: 1.227734428127717
Energy: 1.3639925112125864
Energy: 1.2195163497637718
Energy: 1.1598241945668297
Energy: 1.365596145029495
Energy: 1.131165802589755
Energy: 1.2268924249806337
Energy: 1.365618418566207
Energy: 1.1433220857517505
Energy: 1.2170429627251267
Energy: 1.4634423624953343
Energy: 1.1594331716443842
Energy: 1.2268646592259744
Energy: 1.4686077305349
Energy: 1.0858987040795118
Energy: 1.2178180015022537
Energy: 1.1913332137253527
Energy: 1.2189745864259085
Energy: 1.2279094135138977
Energy: 1.1913973221907443
Energy: 1.3224425848963068
Energy: 1.319456067915812

minimum gb energy = 0.9924037892145974 eV
minimum distance =  2.29364905354598 Angstroms
sigma value = 57


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

Energy: 1.8353369522769947
Energy: 1.290198885529286
Energy: 1.1146105078902298
Energy: 1.1129395041463552
Energy: 1.6997368892447124
Energy: 1.1228243531978983
Energy: 1.3151316415826522
Energy: 1.171798365294271
Energy: 1.1694233369744234
Energy: 1.1658436113785793
Energy: 1.1723439184979945
Energy: 1.0770009402074714
Energy: 1.370423535330423
Energy: 1.070257978974724
Energy: 1.0710438493684094
Energy: 1.3724725107818077
Energy: 1.0699165290789594
Energy: 1.079096952215316
Energy: 1.166838540463662
Energy: 1.068707516436074
Energy: 1.0787413188069828
Energy: 1.1675786929772336
Energy: 1.2946965616236246
Energy: 1.0729697599547496
Energy: 1.1999002456665906
Energy: 1.0757423558126595
Energy: 1.0845048828013961
Energy: 1.1862520993394503
Energy: 1.0733808596837442
Energy: 1.0667375130205152
Energy: 0.9801437421340135
Energy: 1.028501552260746
Energy: 0.9800666962270679
Energy: 1.0340683646908189
Energy: 1.0282531293147632
Energy: 1.0693698957638291
Energy: 1.3281188185543484
Energy: 1.0339508330354021
Energy: 1.0277465957333651
Energy: 1.3300490502988438
Energy: 1.0347793352985235
Energy: 1.0639981662882376
Energy: 1.2665552588535605
Energy: 1.0300481732823896
Energy: 1.0306841862977039
Energy: 1.0445257391940717
Energy: 1.0301385263058958
Energy: 1.0674555908797292
Energy: 0.9584774461088238
Energy: 1.0503143776314798
Energy: 0.9556571589077516
Energy: 0.9603918085018665
Energy: 0.9243175269905282
Energy: 0.9555383575468925
Energy: 0.9559763935528274
Energy: 1.0794092348605608
Energy: 1.0510514158301896
Energy: 0.9561498635267607
Energy: 1.1137834749991002
Energy: 1.0415171441900406
Energy: 0.929390779673701
Energy: 0.9230588781696304
Energy: 1.0413338503274727
Energy: 1.0180775887397806
Energy: 0.9223726357734966
Energy: 1.0247540524897367
Energy: 0.9613195402785687
Energy: 0.922328703960232
Energy: 0.9223518013504232
Energy: 0.9622675864390512
Energy: 0.928192852665442
Energy: 1.0248239626613684
Energy: 0.9297220537415211
Energy: 1.1004315810013723
Energy: 1.07925984547466
Energy: 0.92695839499726
Energy: 1.0973973785488387
Energy: 1.0568270833259132
Energy: 0.9231875402410719
Energy: 1.0263337393323027
Energy: 0.92191074912172
Energy: 0.925849979507666
Energy: 1.106942206950525
Energy: 0.922068554711433
Energy: 0.9234060777264549
Energy: 1.062940783241524
Energy: 1.0247420061785502
Energy: 0.9234090700832892
Energy: 1.0627348191167734
Energy: 1.0255723271819568
Energy: 1.115574603316128
Energy: 0.9559848196606202
Energy: 1.0469335977917766
Energy: 1.0470706073616611
Energy: 0.9560040750266218
Energy: 1.0452717293936682
Energy: 0.977264659019762
Energy: 0.956002392022262
Energy: 0.9559573273237945
Energy: 0.9768815764790768
Energy: 0.9646348343133249
Energy: 1.0107168181039088
Energy: 0.925204777360831
Energy: 1.0167755928230364
Energy: 1.05699369451504
Energy: 0.9271250023758281
Energy: 1.0417696615235776
Energy: 1.0612638683271376
Energy: 1.0282126165294012
Energy: 1.0814953510433178
Energy: 1.0276813514047987
Energy: 1.0295024452142334
Energy: 1.3356736854975708
Energy: 1.027607001056303
Energy: 1.3047512291452457
Energy: 1.0520167727143692
Energy: 1.0716646013519902
Energy: 1.3045658368091253
Energy: 1.052123884277315
Energy: 1.0843106696074705
Energy: 1.303540877788886
Energy: 1.1752754682892337
Energy: 1.0773547100047853
Energy: 1.0984613462193915
Energy: 1.2214987124805143
Energy: 1.0800528070133486
Energy: 1.0189432776399663
Energy: 1.1659102128597254
Energy: 1.0282584255988476
Energy: 1.0542928675734835
Energy: 1.165573451588963
Energy: 1.074855208376799
Energy: 1.045695318060187
Energy: 1.1727831300906044
Energy: 1.1699420929184587
Energy: 1.0461372030099887
Energy: 1.2529704147286407
Energy: 1.159299373643308
Energy: 1.28543846568154
Energy: 1.0746143637590782
Energy: 1.07758480250025
Energy: 1.287346356265344
Energy: 1.1719878291979307
Energy: 1.0812280881100507
Energy: 1.37806368847893
Energy: 1.0781125516235106
Energy: 1.0767936186812066
Energy: 1.3803078162293874
Energy: 1.0785440849308772
Energy: 1.165566613765366
Energy: 1.3816460942987392
Energy: 1.166221147297253
Energy: 1.1691351389485098
Energy: 1.1731411232296518
Energy: 1.1728166630374455
Energy: 1.1690673298934227
Energy: 1.074052346004105
Energy: 1.2502772906504094
Energy: 1.0734658553840886
Energy: 1.0765784010513737
Energy: 1.2491296418549922
Energy: 1.0733051681247594

minimum gb energy = 0.92191074912172 eV
minimum distance =  2.29057794141661 Angstroms
sigma value = 43


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

Energy: 1.7160613030416705
Energy: 1.1439644314735615
Energy: 1.0036951009156658
Energy: 0.9497901135168879
Energy: 1.1760093720988973
Energy: 0.9898487733643613
Energy: 1.1377956254026056
Energy: 0.944871817396332
Energy: 0.9415680630185452
Energy: 1.026953879998503
Energy: 1.03485840676136
Energy: 0.9180683150092139
Energy: 1.1808757597351571
Energy: 0.8980942132867236
Energy: 0.9251768528029128
Energy: 1.1803025436207404
Energy: 0.9002256167436896
Energy: 0.9052122537361286
Energy: 1.0263477908725784
Energy: 0.9253547494483332
Energy: 0.9055679804389557
Energy: 1.0264475540209723
Energy: 0.9897042741792045
Energy: 0.9563964503351006
Energy: 1.0388140217996193
Energy: 0.9221480828354834
Energy: 0.9421312227966182
Energy: 1.0386164637870425
Energy: 0.922305841501355
Energy: 0.918730871628714
Energy: 0.8299681106008672
Energy: 0.9180337353607879
Energy: 0.9035788918060891
Energy: 0.8750428168888857
Energy: 0.9178210463097324
Energy: 0.8942484463726722
Energy: 1.114944231539241
Energy: 0.9182833485526085
Energy: 0.9184811032065671
Energy: 1.0214702912335165
Energy: 0.9186262216858713
Energy: 1.0882004753569057
Energy: 1.0976123481577909
Energy: 0.865811952458767
Energy: 0.8859266018053139
Energy: 1.0998958111741792
Energy: 0.865655106796433
Energy: 0.8858576453589703
Energy: 0.8562011940926169
Energy: 0.8846994692566408
Energy: 0.853641634682327
Energy: 0.8585457229232314
Energy: 1.0891308777093633
Energy: 0.8540593015403696
Energy: 0.8540437615707938
Energy: 0.9047367236455487
Energy: 0.903725491012348
Energy: 0.8540851512572013
Energy: 0.9005027743700311
Energy: 0.9034764098528709
Energy: 0.7950353854821517
Energy: 0.811821694517891
Energy: 0.8742591940740796
Energy: 0.854981846190905
Energy: 0.8123381829137258
Energy: 0.8643751385206301
Energy: 1.0811974505000939
Energy: 0.8123082938751971
Energy: 0.8121808404894837
Energy: 1.0836024870519325
Energy: 0.8122023655674095
Energy: 0.8856821213433351
Energy: 1.0636195504950325
Energy: 0.9009967804189416
Energy: 0.9028575593197266
Energy: 1.0659569367659738
Energy: 0.8932398602412862
Energy: 0.9051092798092736
Energy: 0.7873260021003271
Energy: 1.0693384974084672
Energy: 0.7873420881116499
Energy: 0.7895197819101842
Energy: 1.070065157397185
Energy: 0.7872708182346632
Energy: 0.7875070993106151
Energy: 0.8607385534952295
Energy: 0.8614892031095224
Energy: 0.7874742666650756
Energy: 0.8543538309539157
Energy: 0.8644294129559676
Energy: 0.9214960177299821
Energy: 0.7756692819260146
Energy: 0.77503038554012
Energy: 0.853696929988845
Energy: 0.7757741786875356
Energy: 0.8557921392964517
Energy: 0.7871358497798305
Energy: 0.7755667629275272
Energy: 0.7759463523651976
Energy: 0.9377864835050195
Energy: 0.7756543330408949
Energy: 0.8571294482280437
Energy: 1.0551825353773019
Energy: 0.8997347055022131
Energy: 0.880593308191192
Energy: 1.0501232444390012
Energy: 0.9025162871764166
Energy: 0.8802952784815916
Energy: 0.7755827524940903
Energy: 1.0632839447930456
Energy: 0.7752843636215453
Energy: 0.7776341387973701
Energy: 1.067781459232713
Energy: 0.775337740845015
Energy: 1.0549933080181184
Energy: 0.9106749860694672
Energy: 0.9127875403671791
Energy: 1.0574985929015752
Energy: 0.8928690960636064
Energy: 0.9096460045399674
Energy: 0.8145239998937538
Energy: 0.7872854537542685
Energy: 0.7871822172262058
Energy: 0.8125041280224506
Energy: 0.7874202679273807
Energy: 0.8701479603506456
Energy: 0.7782067312150148
Energy: 0.7874548720497927
Energy: 0.7872631105618207
Energy: 0.8594694794513799
Energy: 0.7874168538495672
Energy: 0.8584366658218789
Energy: 0.8123095952918419
Energy: 0.8596322467922088
Energy: 0.8595838183871449
Energy: 0.8125413810207088
Energy: 0.8598294514413617
Energy: 0.8704266998453386
Energy: 0.8122639199437248
Energy: 0.9854701674786266
Energy: 0.812188417942401
Energy: 0.8146356976981386
Energy: 1.0823510321798797
Energy: 0.8124121699310786
Energy: 1.0760632965046013
Energy: 0.8875388167541359
Energy: 0.8980736948181545
Energy: 1.0785378316160017
Energy: 0.8804255100816369
Energy: 0.8979259651225664
Energy: 1.1042028643867792
Energy: 0.8540313901628461
Energy: 0.8540439267778969
Energy: 1.1067638898554104
Energy: 0.8538902429747194
Energy: 0.9050398260660372
Energy: 0.8133271962869845
Energy: 0.8535014605456819
Energy: 0.8868700658330089
Energy: 0.8656814644539913
Energy: 0.8534117262812464
Energy: 0.8757000941435167
Energy: 0.9731690447045823
Energy: 0.9032882748147366
Energy: 0.9206197317194058
Energy: 0.9993552395555634
Energy: 0.8884915978467784
Energy: 0.920171423607111
Energy: 0.9209029784063214
Energy: 0.9058230373578247
Energy: 0.9183881687828533
Energy: 0.9230390244150071
Energy: 1.1044169019286898
Energy: 0.9180071393606105
Energy: 1.1284222827054542
Energy: 0.8791891164915043
Energy: 0.9053081050575096
Energy: 1.1263319004727572
Energy: 0.8790328846755141
Energy: 0.9050558101648077
Energy: 1.1509571443481295
Energy: 0.9408663470907692
Energy: 0.9425250548411738
Energy: 0.9422333485225439
Energy: 1.035706784852863
Energy: 1.1498898351479967
Energy: 0.8577148225070549
Energy: 1.0265457106011981
Energy: 0.9183096431503555
Energy: 0.8902473915880249
Energy: 1.0266277236543904
Energy: 0.8890772083203455
Energy: 1.0337849051187284
Energy: 1.0269346243449655
Energy: 1.0265695821824214
Energy: 1.033544815316786
Energy: 1.0920363604863814
Energy: 1.0098580036300906
Energy: 1.1174079459609931
Energy: 0.9335460272796433
Energy: 0.9099370717630964
Energy: 1.1173977897259642
Energy: 1.0303848719857716
Energy: 1.0264334467976817
Energy: 1.1812940384955675
Energy: 0.9238040651976007
Energy: 0.9465588203042042
Energy: 1.1835363604389566
Energy: 0.9182955638308332
Energy: 0.9506578392083213
Energy: 1.1779820576551363
Energy: 1.0269963731963192
Energy: 1.0266872122394752
Energy: 1.0270091480947614
Energy: 1.0875844703628244
Energy: 1.0086237298759397

minimum gb energy = 0.77503038554012 eV
minimum distance =  2.28486856041692 Angstroms
sigma value = 81


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

Energy: 0.3591545961122163
Energy: 0.13854702452678627
Energy: 0.08219640225790636
Energy: 0.08457194915984391
Energy: 0.6894059961314551
Energy: 0.3598286607638857
Energy: 0.4171599067845965
Energy: 0.6335332129350286
Energy: 0.6334947470068838
Energy: 0.886856104631489
Energy: 0.6339527144092535
Energy: 1.006522183411092
Energy: 0.6899631636396764
Energy: 0.0821807241761461
Energy: 0.08226082871088707
Energy: 0.7141615413518603
Energy: 0.0820131247692616
Energy: 0.08239639129103263
Energy: 0.6505447179664113
Energy: 0.08220245498335252
Energy: 0.08237624170755158
Energy: 0.6438246499667852
Energy: 0.08223540448329882
Energy: 0.13967367408236384
Energy: 0.13871879278936217
Energy: 0.6935623835582534
Energy: 0.6928034184790027
Energy: 0.14047924385065447
Energy: 0.6930581490486465
Energy: 0.6883348252157097
Energy: 0.08306767247839313
Energy: 0.6331000962837817
Energy: 0.082303036323682
Energy: 0.08176802700072268
Energy: 0.6330157869935311
Energy: 0.08213013902642988
Energy: 0.6371934388687902
Energy: 0.6385806209556945
Energy: 0.6367479756724653
Energy: 0.688191479352295
Energy: 0.6382557890326401
Energy: 0.7406403053774558
Energy: 0.7051625132199153
Energy: 0.08208267034625297
Energy: 0.08220851194033345
Energy: 0.6928842450988244
Energy: 0.08203728145768759
Energy: 0.08237189601193869
Energy: 0.6380150058899992
Energy: 0.08224376611235987
Energy: 0.1385094242551777
Energy: 0.6636714042185771
Energy: 0.08227446843036121
Energy: 0.14024223844169983
Energy: 0.35984560994492526
Energy: 0.6880457525990114
Energy: 0.6886213210841602
Energy: 0.08206386300714615
Energy: 0.6889995177943621
Energy: 0.6882945177329879

minimum gb energy = 0.08176802700072268 eV
minimum distance =  2.43974382926512 Angstroms
sigma value = 3


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

Energy: 1.0457055350438709
Energy: 1.0474110545860582
Energy: 1.0644055705280913
Energy: 1.0387187723569462
Energy: 0.9967610315845068
Energy: 1.0336919212732547
Energy: 1.0245252513227323
Energy: 1.0201565834238286
Energy: 1.0186107619827136
Energy: 1.0391104357574619
Energy: 1.022494465427485
Energy: 1.0291426038890055
Energy: 1.011760790655951
Energy: 0.9937503682753241
Energy: 0.9940376522653604
Energy: 1.0028186702315685
Energy: 0.9954500959096694
Energy: 1.0222479395004624
Energy: 0.9569498794512935
Energy: 0.9947169190031984
Energy: 0.9944743033593294
Energy: 0.9537010297761305
Energy: 0.8670667117733977
Energy: 1.0217527423281354
Energy: 0.8853519910095806
Energy: 1.0309808098406232
Energy: 1.0290243359791926
Energy: 0.8853054347918953
Energy: 1.032198942982163
Energy: 1.0287708638048654
Energy: 0.9842814538698424
Energy: 1.0285847853002366
Energy: 1.0222556904584132
Energy: 0.9770265627825706
Energy: 1.0290433000604016
Energy: 0.9758226327752203
Energy: 0.966473679880821
Energy: 0.9753990335781759
Energy: 0.9757733717303221
Energy: 0.9656124190654348
Energy: 0.8978184789610932
Energy: 0.9680423638947679
Energy: 0.9593472983169642
Energy: 0.9825552010120042
Energy: 0.982104484290893
Energy: 0.9597331949207539
Energy: 0.949099637292022
Energy: 0.9247928244164291
Energy: 0.9933984865275789
Energy: 0.9838218545195755
Energy: 1.0096179381150412
Energy: 1.0103068083924711
Energy: 0.9148798724303074
Energy: 1.0078773185445693
Energy: 0.9293645322831909
Energy: 0.894529480443104
Energy: 0.8926080120041318
Energy: 0.9292444001345114
Energy: 0.8979109624214496
Energy: 0.9339818149070218
Energy: 0.9624032781917885
Energy: 0.9891114586050322
Energy: 0.9897626025157047
Energy: 0.9549472210301135
Energy: 0.9670440459709109
Energy: 0.9542407235168614
Energy: 0.8389093537232809
Energy: 0.9957300095931619
Energy: 0.9912687032576899
Energy: 0.8387965489517029
Energy: 0.9797694153426805
Energy: 0.8377180911713837
Energy: 0.8323990966581548
Energy: 0.9353944503206544
Energy: 0.957435526540174
Energy: 0.833003490945142
Energy: 0.9357583690444368
Energy: 0.8335280344887284
Energy: 0.9563688856750876
Energy: 0.8872624098941971
Energy: 0.9581007595711072
Energy: 0.9668565399807039
Energy: 0.886841411608392
Energy: 0.9608774132979471
Energy: 0.9768232363223128
Energy: 0.795497113223778
Energy: 0.7946196365138053
Energy: 0.9522854525178144
Energy: 0.795944775530836
Energy: 0.7935494590550201
Energy: 0.9513139220128846
Energy: 0.9385279646569848
Energy: 0.9442078641208805
Energy: 0.9382213333600127
Energy: 0.9412089096501093
Energy: 0.9385868244097145
Energy: 0.7907172662159986
Energy: 0.9405572434032835
Energy: 0.9392109672158506
Energy: 0.7807884292120962
Energy: 0.9403469114260116
Energy: 0.775838885051306
Energy: 0.7751240861354495
Energy: 0.9342016541503199
Energy: 0.9339236144193136
Energy: 0.775019439446982
Energy: 0.9347183395423149
Energy: 0.8706964578573206
Energy: 0.9755847214875929
Energy: 0.9404113468984256
Energy: 0.9341220218714501
Energy: 0.9348556020226174
Energy: 0.9568980710670287
Energy: 0.934416585272934
Energy: 0.9513147492380442
Energy: 0.7754163130856752
Energy: 0.7750718475899783
Energy: 0.9528968408038682
Energy: 0.7757329026052362
Energy: 0.7748073872156156
Energy: 0.9500325814618146
Energy: 0.9389316988248493
Energy: 0.9417252429123628
Energy: 0.9521850037257277
Energy: 0.9528598041451731
Energy: 0.9409807815861841
Energy: 0.7948640979909508
Energy: 0.9381884618815831
Energy: 0.8670694685664648
Energy: 0.7947882765380553
Energy: 0.9588203348851815
Energy: 0.7946347906770407
Energy: 0.804007172868994
Energy: 0.9672493436311054
Energy: 0.9680837082518624
Energy: 0.8039857395296772
Energy: 0.9632854985897517
Energy: 0.9640395274444828
Energy: 0.9547518315907668
Energy: 0.8334739433761834
Energy: 0.8310697243281757
Energy: 0.9443792259652001
Energy: 0.83326514133885
Energy: 0.9436795906257137
Energy: 0.8892595593618816
Energy: 0.8382060905694919
Energy: 0.8380039758250996
Energy: 0.8889686450851946
Energy: 0.8407689181454009
Energy: 0.8378757672483541
Energy: 0.9661667898780448
Energy: 0.9680136594294073
Energy: 0.96772820173354
Energy: 0.9661619272536107
Energy: 0.9392956574084618
Energy: 0.9873459762064105
Energy: 0.8942637660738912
Energy: 0.9675673930297961
Energy: 0.9674641532531582
Energy: 0.8934036917948845
Energy: 0.9866455891892584
Energy: 0.884744931250021
Energy: 0.8575924236406782
Energy: 1.0089950798612037
Energy: 1.006512221308083
Energy: 0.8575996262975674
Energy: 1.0183420684165605
Energy: 1.0067781229130595
Energy: 0.9685366925785583
Energy: 0.9562785549427482
Energy: 0.9609130004457513
Energy: 0.9640644460094155
Energy: 0.9561812420689588
Energy: 0.9633676566157896
Energy: 0.8927572408877221
Energy: 0.9657322238158739
Energy: 0.965156460611714
Energy: 0.8927826866516831
Energy: 0.9712407437454387
Energy: 0.9918821518802314
Energy: 0.9648196429901134
Energy: 0.9951063559012654
Energy: 0.9947037999559522
Energy: 0.9646509885165169
Energy: 0.9559315207894752
Energy: 0.9943070772485028
Energy: 1.0541674918442687
Energy: 0.9956517037164709
Energy: 1.0028819808131197
Energy: 1.0201963225352997
Energy: 0.8431662900541218
Energy: 1.0295718892229846
Energy: 0.9004673517718756
Energy: 0.9557666320145598
Energy: 0.95536286705495
Energy: 0.9005838812284339
Energy: 0.9591230709167798
Energy: 0.9836213870160565

minimum gb energy = 0.7748073872156156 eV
minimum distance =  2.29287868081503 Angstroms
sigma value = 67


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

Energy: 1.2930609403988884
Energy: 1.2765593557978518
Energy: 1.290459005260451
Energy: 1.2130367990560724
Energy: 1.2608982157774835
Energy: 1.2923898971444978
Energy: 1.1775839146338987
Energy: 1.2121482879069445
Energy: 1.2113525483414564
Energy: 1.2585828349479304
Energy: 1.2167879608122396
Energy: 1.2391201409423325
Energy: 1.2642718615788402
Energy: 1.2044526670238827
Energy: 1.234647235486375
Energy: 1.210133268864538
Energy: 1.2038666133883624
Energy: 1.2338809539098141
Energy: 1.1296166903313847
Energy: 1.2348023953158378
Energy: 1.2346353198303217
Energy: 1.1310117994443984
Energy: 1.113192481859113
Energy: 1.2345776827010282
Energy: 1.1224389395115113
Energy: 1.2172648575195975
Energy: 1.2398404236453733
Energy: 1.1223247429615921
Energy: 1.2160153723746931
Energy: 1.2385462078585312
Energy: 1.1634249520895965
Energy: 1.2104843484006822
Energy: 1.2084552331671443
Energy: 1.20802644414342
Energy: 1.2108612714786577
Energy: 1.205909337762235
Energy: 1.123929813213228
Energy: 1.1583356630326858
Energy: 1.1522480790469258
Energy: 1.124125525006536
Energy: 1.1291819537875734
Energy: 1.1507195032472735
Energy: 1.124176307574522
Energy: 1.1651722753983842
Energy: 1.1702855182702074
Energy: 1.1244218100731043
Energy: 1.162419228445122
Energy: 1.1523217782630204
Energy: 1.1699966514197393
Energy: 1.2078177809753208
Energy: 1.209148183710809
Energy: 1.2122993653523748
Energy: 1.0284402867190776
Energy: 1.2148578519328384
Energy: 1.0786672214027406
Energy: 1.0315178384071069
Energy: 1.0287994252287824
Energy: 1.0775802174402964
Energy: 1.0366065096339039
Energy: 1.0287310608449503
Energy: 1.168304590792294
Energy: 1.1713975101821954
Energy: 1.1709011867379264
Energy: 1.1646846056155693
Energy: 1.1645331200917233
Energy: 1.1675732871176945
Energy: 0.9853975339491357
Energy: 1.1690565002696272
Energy: 1.1663658439469184
Energy: 0.9844382813419328
Energy: 1.1686841902822434
Energy: 0.9838790350321339
Energy: 0.9897336430921976
Energy: 1.1631686170520696
Energy: 1.1599700728461024
Energy: 0.9896902029041049
Energy: 1.1517700678756178
Energy: 0.9899156507895347
Energy: 1.1666639089447344
Energy: 1.1773228862069094
Energy: 1.1620735529964215
Energy: 1.1529483647169918
Energy: 1.1766963659603973
Energy: 1.1610705808278547
Energy: 1.1736577010566203
Energy: 0.9897732497709723
Energy: 0.9875906108111819
Energy: 1.152886949025541
Energy: 0.9936009877559286
Energy: 0.986875336827414
Energy: 1.1523185345807905
Energy: 1.1663924210703212
Energy: 1.1717670315434283
Energy: 1.1736891808153511
Energy: 1.0762633377335413
Energy: 1.1701967136719378
Energy: 1.0386753006207332
Energy: 1.1468904122401264
Energy: 1.1646484982212206
Energy: 1.0357029606056674
Energy: 1.1469072163672664
Energy: 1.0353603722312668
Energy: 1.0290034067057108
Energy: 1.2073121200923902
Energy: 1.2094194057607897
Energy: 1.0290132008840036
Energy: 1.1820553636478384
Energy: 1.1351068900902137
Energy: 1.2096337524917973
Energy: 1.170523130181007
Energy: 1.1831970593176706
Energy: 1.1788197756855372
Energy: 1.1736310284248104
Energy: 1.1797099271950675
Energy: 1.1275010282973752
Energy: 1.1311995292665007
Energy: 1.1521531935827727
Energy: 1.1266528317360556
Energy: 1.1262232555281695
Energy: 1.1515490320514685
Energy: 1.1319411826675638
Energy: 1.2336774807167734
Energy: 1.2328281674498298
Energy: 1.1319139567913117
Energy: 1.0857039033494182
Energy: 1.2341695109165165
Energy: 1.2640813094790053
Energy: 1.175895271556456
Energy: 1.2332188048589583
Energy: 1.2100568394636295
Energy: 1.1759913525288703
Energy: 1.2329720018639467
Energy: 1.1777991476761207
Energy: 1.1286002304730516
Energy: 1.211127693897421
Energy: 1.1780157523492845
Energy: 1.1275676162941122
Energy: 1.2393058521126523

minimum gb energy = 0.9838790350321339 eV
minimum distance =  2.28800584987294 Angstroms
sigma value = 33


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

Energy: 1.9371137586077138
Energy: 1.4210495251277926
Energy: 1.4218865389304876
Energy: 1.4003951763630178
Energy: 1.4355092372110438
Energy: 1.4125211080685045
Energy: 1.280675700500552
Energy: 1.327280630370307
Energy: 1.3269681365933594
Energy: 1.3945995109195433
Energy: 1.3324530897095164
Energy: 1.3608655923905608
Energy: 1.4142830555836363
Energy: 1.3556469129253703
Energy: 1.3563276065827456
Energy: 1.3929293104591363
Energy: 1.3562463262302733
Energy: 1.355682936657188
Energy: 1.2162985096886392
Energy: 1.3555316365925485
Energy: 1.3554098831051706
Energy: 1.2166988546496695
Energy: 1.2103371048254425
Energy: 1.3553372505513652
Energy: 1.2145754554730546
Energy: 1.3276980865573635
Energy: 1.36324937136202
Energy: 1.2144629180626911
Energy: 1.3304497462990967
Energy: 1.3605840880842837
Energy: 1.2218125065881207
Energy: 1.3362319893018615
Energy: 1.3591310583881575
Energy: 1.3266228268048854
Energy: 1.399714748061543
Energy: 1.3261618189821112
Energy: 1.2134115742655873
Energy: 1.3646717467512715
Energy: 1.3637754110687323
Energy: 1.2135012652068544
Energy: 1.3632671650419297
Energy: 1.247051131275862
Energy: 1.2168866786515158
Energy: 1.3182328937494845
Energy: 1.3175644606134982
Energy: 1.2166983098490718
Energy: 1.3185587997632087
Energy: 1.2510338759330275
Energy: 1.2944263225930193
Energy: 1.3183338140234284
Energy: 1.320668156585838
Energy: 1.318092358418745
Energy: 1.1186859062341787
Energy: 1.3200337541702172
Energy: 1.3053885950267372
Energy: 1.1221757055353583
Energy: 1.122098195766262
Energy: 1.306728164754768
Energy: 1.1233894758069194
Energy: 1.121112461753655
Energy: 1.2112693175028058
Energy: 1.234155423715698
Energy: 1.2984654581487993
Energy: 1.2959713672978617
Energy: 1.2191949326653329
Energy: 1.2956249620253113
Energy: 1.1216824121991915
Energy: 1.295835844242746
Energy: 1.2987234619375352
Energy: 1.1217347969476414
Energy: 1.2840044916612932
Energy: 1.121011227543809
Energy: 1.1205609351324448
Energy: 1.3178791380825479
Energy: 1.3194073901231047
Energy: 1.120373653773056
Energy: 1.3206727326660133
Energy: 1.1192163353535174
Energy: 1.0924875327563173
Energy: 1.3256068788029203
Energy: 1.3173982691850086
Energy: 1.3004333741324878
Energy: 1.3704155867229708
Energy: 1.3050996408897877
Energy: 1.2024187636150898
Energy: 1.2188261152945021
Energy: 1.2501997085532226
Energy: 1.2014000812528682
Energy: 1.218692625120235
Energy: 1.2501446335793116
Energy: 1.224412414977372
Energy: 1.3458960877065638
Energy: 1.3448514689694797
Energy: 1.2494592219580374
Energy: 1.141394942551804
Energy: 1.2562301303012218
Energy: 1.4152453678256431
Energy: 1.345184166530221
Energy: 1.3442553028275726
Energy: 1.3923535578675306
Energy: 1.3444870465099041
Energy: 1.3440814205425422
Energy: 1.3940751455626605
Energy: 1.3278749428085546
Energy: 1.3275787514975625
Energy: 1.3943799548150748
Energy: 1.3289647458492235
Energy: 1.3604904109191998
Energy: 1.1391525990644011
Energy: 1.3272231765758686
Energy: 1.3679276508091136
Energy: 1.3432298488375238
Energy: 1.3281034129212022
Energy: 1.3426843709038103
Energy: 1.2807631932433585
Energy: 1.3271569826834173
Energy: 1.3269522917701946
Energy: 1.2807128799774667
Energy: 1.3313038505822685
Energy: 1.3271187291509106
Energy: 1.3953822979505976
Energy: 1.3552002707548259
Energy: 1.356060129495024
Energy: 1.3952994225955413
Energy: 1.3358214574326583
Energy: 1.3555860809064808
Energy: 1.3263738615888803
Energy: 1.355626486197969
Energy: 1.355739301884079
Energy: 1.326669152754447
Energy: 1.3571445435703058
Energy: 1.3554797822119768
Energy: 1.2144368534489594
Energy: 1.3307352116463271
Energy: 1.3633835126623555
Energy: 1.2144814279789684
Energy: 1.3321380089089219
Energy: 1.360718545545739
Energy: 1.2206422690146606
Energy: 1.336656119169795
Energy: 1.3621897168424484
Energy: 1.3272648302309467
Energy: 1.351680588829384
Energy: 1.2897129111239836
Energy: 1.213304821708824
Energy: 1.3654961989282017
Energy: 1.3637877494230255
Energy: 1.213396945852383
Energy: 1.3630130373206322
Energy: 1.3642623300163819
Energy: 1.2368282278438976
Energy: 1.3181672477252664
Energy: 1.3178365137395514
Energy: 1.2170431217323445
Energy: 1.318520224932677
Energy: 1.2505388488145714
Energy: 1.2998049118615205
Energy: 1.3180079899246682
Energy: 1.3177084514945185
Energy: 1.3006407419773507
Energy: 1.1194729626097164
Energy: 1.3207714304233025
Energy: 1.299694839990688
Energy: 1.1217495704125922
Energy: 1.121653185687551
Energy: 1.3011859189262998
Energy: 1.1235685420666532
Energy: 1.1208821751305635
Energy: 1.211280631598175
Energy: 1.2189325200425871
Energy: 1.2979361616573848
Energy: 1.2964587244214043
Energy: 1.2195716123552227
Energy: 1.2975467003361913
Energy: 1.121624775729567
Energy: 1.2958049752054297
Energy: 1.2955754084397093
Energy: 1.1200254443252036
Energy: 1.2845401334689548
Energy: 1.1206903444038958
Energy: 1.1213920462073703
Energy: 1.3167319010118288
Energy: 1.2266341986074742
Energy: 1.119780009432043
Energy: 1.2977839530247541
Energy: 1.119778937042199
Energy: 1.3158365524027977
Energy: 1.3242880695959487
Energy: 1.3236413412116455
Energy: 1.3268844741279546
Energy: 1.329555409802234
Energy: 1.3046164960230064
Energy: 1.3288003760552363
Energy: 1.2173324738598101
Energy: 1.2501918346784449
Energy: 1.2054056561832571
Energy: 1.2199899053880452
Energy: 1.2503424653482955
Energy: 1.227113248781464
Energy: 1.2610762987042783
Energy: 1.2504949756311
Energy: 1.249552391223111
Energy: 1.1411836302969478
Energy: 1.2512211734816818
Energy: 1.4208529304692636
Energy: 1.3456811682881313
Energy: 1.345444733858247
Energy: 1.327397807897534
Energy: 1.298963541765889
Energy: 1.345036194758613
Energy: 1.3938859982143887
Energy: 1.3272707913834043
Energy: 1.326882318184737
Energy: 1.39398809801693
Energy: 1.2193175978630315
Energy: 1.361286328214026
Energy: 1.3633064197788143
Energy: 1.3289948427933862
Energy: 1.366381064621352
Energy: 1.3442571814314244
Energy: 1.329975293547649
Energy: 1.342314683860702

minimum gb energy = 1.0924875327563173 eV
minimum distance =  2.28249691231381 Angstroms
sigma value = 41


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

Energy: 1.7958547190066128
Energy: 1.6233354422472528
Energy: 1.466930149429886
Energy: 1.8006422378946618
Energy: 2.028868105401392
Energy: 1.4663508407228043
Energy: 1.3756421889021235
Energy: 1.452356490536888
Energy: 1.4518442489784327
Energy: 1.518739637154819
Energy: 1.565220094732506
Energy: 1.4514178556530426
Energy: 1.5506802762765044
Energy: 1.4957237371922003
Energy: 1.4957300653289465
Energy: 1.4569516327147294
Energy: 1.4950612632602236
Energy: 1.451575294682543
Energy: 1.3423678315152205
Energy: 1.4943505996145459
Energy: 1.4946897834978814
Energy: 1.4598923045683765
Energy: 1.4540059431582302
Energy: 1.4566705666722106
Energy: 1.3142776076049387
Energy: 1.4523901932299645
Energy: 1.4542911414706805
Energy: 1.3138818688880525
Energy: 1.4542326298827235
Energy: 1.498844209577098
Energy: 1.4924472632831889
Energy: 1.5215098663889957
Energy: 1.5037621090401072
Energy: 1.4925068012376945
Energy: 1.5233212392350073
Energy: 1.5018001921200885
Energy: 1.3134846591757794
Energy: 1.5017523916277067
Energy: 1.4997220708860763
Energy: 1.3133872946484282
Energy: 1.5001243945613074
Energy: 1.313633541031279
Energy: 1.316765317075782
Energy: 1.4736128121029823
Energy: 1.3648759816942195
Energy: 1.3174640284121648
Energy: 1.4708132131756495
Energy: 1.3142518611998788
Energy: 1.4672306441713152
Energy: 1.4794264426945205
Energy: 1.4728661572029471
Energy: 1.4733714925056363
Energy: 1.3753415826289326
Energy: 1.4714906505323526
Energy: 1.3876604289998946
Energy: 1.3160057551299282
Energy: 1.3168203988506502
Energy: 1.385597579597726
Energy: 1.3160124884677915
Energy: 1.364558352816205
Energy: 1.4938879788038135
Energy: 1.313778492837341
Energy: 1.5010895086572666
Energy: 1.4983087810288385
Energy: 1.2479305824705604
Energy: 1.5013165704458729
Energy: 1.5018810198661499
Energy: 1.467616865083111
Energy: 1.4678176211659544
Energy: 1.5029039995912663
Energy: 1.4677376087172396
Energy: 1.4272297582768072
Energy: 1.5738545683248595
Energy: 1.451388901137064
Energy: 1.4517102609850634
Energy: 1.5755388837794908
Energy: 1.4522843901580806
Energy: 1.4522323187383273
Energy: 1.5053201408664074
Energy: 1.4565448827068062
Energy: 1.508668318293666
Energy: 1.5012873407877323
Energy: 1.453163353147964
Energy: 1.5084878307279264

minimum gb energy = 1.2479305824705604 eV
minimum distance =  2.31926933814855 Angstroms
sigma value = 11


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

Energy: 2.23023780730785
Energy: 1.7166233241165958
Energy: 1.7774234188410065
Energy: 1.6355715547307903
Energy: 1.6638872277233385
Energy: 1.633447252244279
Energy: 1.6685805132701432
Energy: 1.4493863722494886
Energy: 1.4494620340742785
Energy: 1.7447926037502788
Energy: 1.4809303191573795
Energy: 1.4506619215162744
Energy: 1.7498031530170535
Energy: 1.5468101670111807
Energy: 1.5654485650913441
Energy: 1.7058866585694477
Energy: 1.4627471993344068
Energy: 1.5860420102111
Energy: 1.5929184677292132
Energy: 1.563102742196073
Energy: 1.5870766383171515
Energy: 1.5937037118197632
Energy: 1.483961275041138
Energy: 1.619378745361458
Energy: 1.537222368936102
Energy: 1.448513685926219
Energy: 1.4489469072457528
Energy: 1.5374893699419665
Energy: 1.4488311357344927
Energy: 1.4793488373486223
Energy: 1.610281714127892
Energy: 1.4869545153871842
Energy: 1.5790045896846394
Energy: 1.5472715966879371
Energy: 1.4872929721329073
Energy: 1.5722081493530677
Energy: 1.4866182592233508
Energy: 1.5726022858650939
Energy: 1.5736082008954269
Energy: 1.48663624794532
Energy: 1.5658802247089085
Energy: 1.5813792654843293
Energy: 1.4815745909927984
Energy: 1.561933172637317
Energy: 1.4755172768278115
Energy: 1.4814363789907896
Energy: 1.5375123941981657
Energy: 1.4672121319320741
Energy: 1.4555866537181383
Energy: 1.5630525456839317
Energy: 1.5728008945290242
Energy: 1.539713589663648
Energy: 1.6162345547647679
Energy: 1.6223468490370878
Energy: 1.4552315651985868
Energy: 1.5622216998597358
Energy: 1.5729617477832858
Energy: 1.4553572742639533
Energy: 1.5623902562578034
Energy: 1.621565472630335
Energy: 1.4818958576281607
Energy: 1.5608052775107981
Energy: 1.450076874590351
Energy: 1.4814724411519573
Energy: 1.4809761941683177
Energy: 1.4487489076612883
Energy: 1.4665237169719572
Energy: 1.554854601955201
Energy: 1.5336982425152021
Energy: 1.4674172842919244
Energy: 1.5694223196975505
Energy: 1.5335035654926026
Energy: 1.4480320724078928
Energy: 1.537826706706215
Energy: 1.5380815067433928
Energy: 1.4480840007247202
Energy: 1.6983648100561504
Energy: 1.5400321332532583
Energy: 1.5089163809121835
Energy: 1.5961226398841282
Energy: 1.6132740139197304
Energy: 1.5486552855672933
Energy: 1.7502430236013875
Energy: 1.5977187683234089
Energy: 1.4270293474223883
Energy: 1.5544608772742305
Energy: 1.5543520870315455
Energy: 1.4270712510427854
Energy: 1.5550842492900134
Energy: 1.582386793100497
Energy: 1.4284361703813673
Energy: 1.5646701834815133
Energy: 1.503036520340878
Energy: 1.429773571585738
Energy: 1.5554598405999243
Energy: 1.4263704842664375
Energy: 1.42659073073739
Energy: 1.5142637349841743
Energy: 1.5128175357524212
Energy: 1.4267049060781871
Energy: 1.5528504839014345
Energy: 1.5612121102809278
Energy: 1.8017135146671917
Energy: 1.6166897338411108
Energy: 1.5334918223173295
Energy: 1.6312451900309708
Energy: 1.6173422257596426
Energy: 1.5393593702737076
Energy: 1.482493145729777
Energy: 1.4846049462151027
Energy: 1.5134185744649096
Energy: 1.4825903160554985
Energy: 1.6004357168276457
Energy: 1.5520156497736337
Energy: 1.5716254958660132
Energy: 1.5492763176802764
Energy: 1.589675710839727
Energy: 1.5733943099653527
Energy: 1.4640605472620503
Energy: 1.5022376994441682
Energy: 1.6012881949739852
Energy: 1.6144180288276746
Energy: 1.5037136288979092
Energy: 1.5602306892119027
Energy: 1.428164440717804
Energy: 1.4854345619739704
Energy: 1.4782500802410397
Energy: 1.5310104347709788
Energy: 1.4887768857020838
Energy: 1.4463553392557797
Energy: 1.5411674083732447
Energy: 1.4898324324808945
Energy: 1.5487633907554768
Energy: 1.5332260686858261
Energy: 1.535727896354578
Energy: 1.572237388546125
Energy: 1.573950111350303
Energy: 1.5423098749873885
Energy: 1.6004501256516888
Energy: 1.4833719647155168
Energy: 1.560032400516497
Energy: 1.6004795137858825
Energy: 1.4828737043173768
Energy: 1.4975727980206168
Energy: 1.617100060282543
Energy: 1.567396599333741
Energy: 1.5116182785156476
Energy: 1.6185986379237611
Energy: 1.5783678479381356
Energy: 1.51134976879925
Energy: 1.5914331545005245
Energy: 1.427054163947358
Energy: 1.5140325444353082
Energy: 1.5138303568536209
Energy: 1.426307582226041
Energy: 1.5135250776084406
Energy: 1.579891802549252
Energy: 1.4270254577723878
Energy: 1.4268267734350963
Energy: 1.580306094331601
Energy: 1.4279465489317569
Energy: 1.4269805139013538
Energy: 1.5802084356902355
Energy: 1.485832749752411
Energy: 1.571023467236869
Energy: 1.5540211476161725
Energy: 1.426887815642405
Energy: 1.5699849073896626
Energy: 1.8244771295261704
Energy: 1.542411714878212
Energy: 1.544418794709184
Energy: 1.7546648113392462
Energy: 1.5749905688074193
Energy: 1.5294716128345531
Energy: 1.7438425721732638
Energy: 1.447942649938876
Energy: 1.4995521364287212
Energy: 1.7450499581287513
Energy: 1.4478944460325351
Energy: 1.5773060451619434
Energy: 1.563741816068604
Energy: 1.4700420509876868
Energy: 1.5020530391628464
Energy: 1.5980134473899783
Energy: 1.4684907872203823
Energy: 1.5017392993675873

minimum gb energy = 1.426307582226041 eV
minimum distance =  2.30810627484259 Angstroms
sigma value = 57


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

Energy: 2.0169446033408636
Energy: 1.7207324787063916
Energy: 1.4446309488644766
Energy: 2.0244812198850193
Energy: 2.213196459156808
Energy: 1.4447757828495256
Energy: 1.3960512273140666
Energy: 1.45494610491317
Energy: 1.433997467812865
Energy: 1.5830409312641853
Energy: 1.5858249691351383
Energy: 1.442761416330779
Energy: 1.5749592644291543
Energy: 1.446529367157979
Energy: 1.4278446848235367
Energy: 1.5743909259648594
Energy: 1.449558690845436
Energy: 1.4329972211367668
Energy: 1.5683088026124654
Energy: 1.4435641758829436
Energy: 1.431622641400225
Energy: 1.5701369504459874
Energy: 1.446945041615809
Energy: 1.433252982343274
Energy: 1.4526332616648239
Energy: 1.4315736946759747
Energy: 1.4332738172181032
Energy: 1.453045249514203
Energy: 1.431153059204805
Energy: 1.4316459407940971
Energy: 1.502583099392168
Energy: 1.4544844584565781
Energy: 1.4545932584113908
Energy: 1.4559965199335143
Energy: 1.5665413983765404
Energy: 1.4539875169234984
Energy: 1.5664223311189704
Energy: 1.4762931016685594
Energy: 1.4761789904671276
Energy: 1.5683686629870324
Energy: 1.480032042345274
Energy: 1.4538230970095503
Energy: 1.5823135618057953
Energy: 1.4432293760199462
Energy: 1.4442688336451437
Energy: 1.5843797079444526
Energy: 1.45379602520367
Energy: 1.4312948336858562
Energy: 1.395862324178993
Energy: 1.4311341962888846
Energy: 1.3975060675121747
Energy: 1.3978640034645062
Energy: 1.5669084465775702
Energy: 1.396817999238167
Energy: 1.3961357917432058
Energy: 1.4310333523356196
Energy: 1.397794308898553
Energy: 1.4015257424169822
Energy: 1.4307801895701004
Energy: 1.3967075757929373
Energy: 1.5827720477882732
Energy: 1.442442845782489
Energy: 1.4435705476016618
Energy: 1.5847049340425383
Energy: 1.4537291551612241
Energy: 1.4335797978633869
Energy: 1.559811724952594
Energy: 1.4467193049971354
Energy: 1.447154063175297
Energy: 1.5610558497233542
Energy: 1.7485470278484232
Energy: 1.4344501126351472
Energy: 1.4530553378741986
Energy: 1.4559325636657923
Energy: 1.4548948336828682
Energy: 1.454915920642865
Energy: 1.4567464646067338
Energy: 1.5609834872875379
Energy: 1.7548227163808257
Energy: 1.4305297869329445
Energy: 1.430952081808401
Energy: 1.454602949820464
Energy: 1.571964796400475
Energy: 1.4344101941045695
Energy: 1.5654089309099457
Energy: 1.4669332087268103
Energy: 1.4327081634151302
Energy: 1.5658309998687225
Energy: 1.4987106430198274
Energy: 1.4316553328900141
Energy: 1.5851194741407868
Energy: 1.4777381019212985
Energy: 1.4688109316638962
Energy: 1.584993301005344
Energy: 1.4768547722933931
Energy: 1.4321209832892898
Energy: 1.395960765755944
Energy: 1.456530784975787
Energy: 1.4972882726873031
Energy: 1.3956840665563197
Energy: 1.4577465804445529
Energy: 1.5650190745195778

minimum gb energy = 1.3956840665563197 eV
minimum distance =  2.31367541702667 Angstroms
sigma value = 9


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

Energy: 2.3574022059280297
Energy: 1.6694799911511562
Energy: 1.7267769909741864
Energy: 1.5778595755490226
Energy: 1.5909197809175628
Energy: 1.7290264156864288
Energy: 1.6448451249867377
Energy: 1.5650610120956312
Energy: 1.5440604053232265
Energy: 1.6131224177165477
Energy: 1.5850053631494097
Energy: 1.5400947407564562
Energy: 1.5887629665750729
Energy: 1.5177894904994043
Energy: 1.538243639941964
Energy: 1.5901602574256475
Energy: 1.5822065421348597
Energy: 1.5356759225741672
Energy: 1.5432036878529296
Energy: 1.5229562901467049
Energy: 1.5202221714991593
Energy: 1.5447075953733362
Energy: 1.539028724143107
Energy: 1.5378414017336424
Energy: 1.5936000043875629
Energy: 1.5377572008368525
Energy: 1.5376492152837937
Energy: 1.5978082597831174
Energy: 1.5638043612988373
Energy: 1.5608312778065976
Energy: 1.5227952226409265
Energy: 1.5085371849275708
Energy: 1.5047699746237533
Energy: 1.5246007097091843
Energy: 1.553423027035565
Energy: 1.505844971151137
Energy: 1.5429720782247138
Energy: 1.5037726996025982
Energy: 1.558953174759531
Energy: 1.5427886244716162
Energy: 1.516803581012741
Energy: 1.5689141465133616
Energy: 1.608019652357577
Energy: 1.5015008909346008
Energy: 1.5101860478229823
Energy: 1.6095353865237274
Energy: 1.5108438038679406
Energy: 1.511506291015453
Energy: 1.7648530888693812
Energy: 1.5485829863877212
Energy: 1.5487886557795545
Energy: 1.5737440358830204
Energy: 1.6136188147324495
Energy: 1.5348469223438996
Energy: 1.632424089200989
Energy: 1.5484036995604087
Energy: 1.547589496436732
Energy: 1.5919402914703034
Energy: 1.5506976290371048
Energy: 1.5327812155417062
Energy: 1.6085211091148217
Energy: 1.5055234376052864
Energy: 1.514183499290323
Energy: 1.6102956289619745
Energy: 1.5067463815613211
Energy: 1.5156348768829295
Energy: 1.579955558597469
Energy: 1.521651463754904
Energy: 1.541700535635455
Energy: 1.5814431924213637
Energy: 1.5657676865986345
Energy: 1.548433985024373
Energy: 1.8189132865196187
Energy: 1.5349179301290552
Energy: 1.5342204797920087
Energy: 1.5498034516763006
Energy: 1.5312110302494852
Energy: 1.5008816981340851
Energy: 1.655292165554826
Energy: 1.5381226969070017
Energy: 1.536825939490288
Energy: 1.6460487315931736
Energy: 1.6256819257271666
Energy: 1.5196065347861758
Energy: 1.5755509966560748
Energy: 1.501690710160594
Energy: 1.5011606139999039
Energy: 1.5755530251351895
Energy: 1.5011753999435526
Energy: 1.5630442305283894
Energy: 1.5658469578370728
Energy: 1.5462576662523582
Energy: 1.5317224089639034
Energy: 1.566882917246082
Energy: 1.6033858084436334
Energy: 1.5439325662990135
Energy: 1.5511302470986648
Energy: 1.5356133758607569
Energy: 1.5203021835990351
Energy: 1.5519509706936763
Energy: 1.6062545952341727
Energy: 1.5209939803080663
Energy: 1.7061251045587387
Energy: 1.556192275263782
Energy: 1.6525890567645196
Energy: 1.57493693154703
Energy: 1.5546445792192323
Energy: 1.5424102980337149
Energy: 1.5551997426595212
Energy: 1.5226874906005976
Energy: 1.5371801832406704
Energy: 1.5561353858004339
Energy: 1.5052389749839172
Energy: 1.5352100196269693
Energy: 1.5594746272612297
Energy: 1.5223424119031197
Energy: 1.5211098597994153
Energy: 1.5592018562387693
Energy: 1.568303892363566
Energy: 1.5369162278824722
Energy: 1.5673835877746674
Energy: 1.5662659143163542
Energy: 1.5786324781960746
Energy: 1.5119261914993358
Energy: 1.5634943363785772
Energy: 1.5475062620191473

minimum gb energy = 1.5008816981340851 eV
minimum distance =  2.27925152832893 Angstroms
sigma value = 27


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

Energy: 2.0142894106692557
Energy: 1.8888581421049864
Energy: 1.8021597264847384
Energy: 1.808048630308884
Energy: 2.083288378575142
Energy: 1.6144777791886313
Energy: 1.6533131588495342
Energy: 1.6434749434385834
Energy: 1.6331662492485324
Energy: 1.6647970834139822
Energy: 1.6344725428155782
Energy: 1.5673051831153253
Energy: 1.6988335844828568
Energy: 1.7027890630776836
Energy: 1.660467905612242
Energy: 1.5159004838764518
Energy: 1.5338815158935324
Energy: 1.7946512401456598
Energy: 1.7630312724078323
Energy: 1.670566321874535
Energy: 1.6586963798587986
Energy: 1.6303491455435946
Energy: 1.5044822928666248
Energy: 1.6812983480034234
Energy: 1.5454886848084655
Energy: 1.614870346142163
Energy: 1.7146751457060858
Energy: 1.5378972320289188
Energy: 1.7253867974281254
Energy: 1.6227807555157379
Energy: 1.727338668241593
Energy: 1.6126102896701597
Energy: 1.703133199710693
Energy: 1.592361780810164
Energy: 1.695084869863637
Energy: 1.6504648874512426
Energy: 1.743417245838104
Energy: 1.6018230739681605
Energy: 1.6016608788878688
Energy: 1.5517808985493062
Energy: 1.6004465348103887
Energy: 1.6012867267322626
Energy: 1.7736455616556714
Energy: 1.6065289554767863
Energy: 1.7103373008586995
Energy: 1.7584903378135466
Energy: 1.59854416290837
Energy: 1.6109440659632424
Energy: 1.773716133689539
Energy: 1.6890423515639434
Energy: 1.6511490407849294
Energy: 1.6106413969900568
Energy: 1.6989140066559663
Energy: 1.6510202847849937
Energy: 1.774152543977917
Energy: 1.6022802403759617
Energy: 1.6060841646255204
Energy: 1.6115305608492092
Energy: 1.6008910333524207
Energy: 1.637586498314458
Energy: 1.7237810185205173
Energy: 1.732680920874058
Energy: 1.729181611858634
Energy: 1.7177307924799616
Energy: 1.5344241715690299
Energy: 1.7281485750471361
Energy: 1.6458872403276563
Energy: 1.5646719765871993
Energy: 1.5746905438155492
Energy: 1.6426208244903855
Energy: 1.5493108205481632
Energy: 1.5742016477592597
Energy: 1.6765919111526049
Energy: 1.658863338112165
Energy: 1.6497506966480648
Energy: 1.678659139818349
Energy: 1.6555257384035684
Energy: 1.6492844518237224
Energy: 1.681573119262188
Energy: 1.651018212876502
Energy: 1.6484369049735348
Energy: 1.6478437910708859
Energy: 1.6552927752609607
Energy: 1.6486943885824017
Energy: 1.6346572751354504
Energy: 1.56485975808039
Energy: 1.573695962224269
Energy: 1.6367555328065675
Energy: 1.5660294392910898
Energy: 1.5882482954600483
Energy: 1.66211777587556
Energy: 1.6416762110586736
Energy: 1.6158402042610363
Energy: 1.624672696253093
Energy: 1.5992779494934488
Energy: 1.6146642721651254
Energy: 1.557423407754075
Energy: 1.6184258464723658
Energy: 1.6188214642689969
Energy: 1.5463617086848522
Energy: 1.6454734291807462
Energy: 1.576300290018279
Energy: 1.6442901125139056
Energy: 1.6372972932353933
Energy: 1.6272707351558096
Energy: 1.6225471488433527
Energy: 1.6984745791349178
Energy: 1.628715096507568
Energy: 1.6655052747344323
Energy: 1.6094291450050375
Energy: 1.6067836222491476
Energy: 1.6698435375257223
Energy: 1.5976124662719833
Energy: 1.6056117826364165
Energy: 1.7433421226054684
Energy: 1.6053784473629154
Energy: 1.6072618913649996
Energy: 1.5256129685142974
Energy: 1.598661531935863
Energy: 1.6056419006725824
Energy: 1.8615247914887885
Energy: 1.6474723554317459
Energy: 1.6446228238637854
Energy: 1.6753086705547222
Energy: 1.7014549305775837
Energy: 1.6139174923523316
Energy: 1.540028242241489
Energy: 1.6516204451632535
Energy: 1.6447281650160908
Energy: 1.5327326170264877
Energy: 1.643247333720462
Energy: 1.5879558652845667
Energy: 1.8855468034650422
Energy: 1.6648694342344244
Energy: 1.5536553300888625
Energy: 1.6745082601384698
Energy: 1.6767848309176276
Energy: 1.6760236974784315
Energy: 1.7080719848091583
Energy: 1.6871300101718514
Energy: 1.5454036391835044
Energy: 1.5264172840407138
Energy: 1.5358313386839333
Energy: 1.6922211398186051
Energy: 1.654799596217813
Energy: 1.6640066954741684
Energy: 1.636411620461855
Energy: 1.5520173840980809
Energy: 1.6394283290180314
Energy: 1.5749659560906573

minimum gb energy = 1.5044822928666248 eV
minimum distance =  2.25957105058208 Angstroms
sigma value = 19


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

Energy: 2.2711672685790214
Energy: 1.5560902326229638
Energy: 1.6414168061218544
Energy: 1.4776195052060561
Energy: 1.6773332272175998
Energy: 1.64158430117313
Energy: 1.6662409824861468
Energy: 1.5641629046435643
Energy: 1.5462356143800318
Energy: 1.7339135887996098
Energy: 1.5621690597568971
Energy: 1.5458642988160027
Energy: 1.5739505707645165
Energy: 1.5282331000057723
Energy: 1.5393189987878908
Energy: 1.573915400827041
Energy: 1.4676439907357344
Energy: 1.5340813772685251
Energy: 1.5633528954753204
Energy: 1.5425430595997125
Energy: 1.5427224908266979
Energy: 1.5633775267034549
Energy: 1.5426638956942902
Energy: 1.541812826835963
Energy: 1.483963116532925
Energy: 1.5705245873955103
Energy: 1.543892528107147
Energy: 1.4856304445496051
Energy: 1.5652633175168416
Energy: 1.5336346717248226
Energy: 1.6051303728253652
Energy: 1.5421688043403639
Energy: 1.544498466232126
Energy: 1.603703910512115
Energy: 1.6163074463267426
Energy: 1.5435649870331758
Energy: 1.5492761072280956
Energy: 1.565514788803241
Energy: 1.5500659164193333
Energy: 1.5492360635613533
Energy: 1.5595838219541118
Energy: 1.555017522896737
Energy: 1.562799374969866
Energy: 1.524763240115268
Energy: 1.5438548103561114
Energy: 1.5678284787083916
Energy: 1.5576259148744325
Energy: 1.5466535206203769
Energy: 1.467819620544734
Energy: 1.5391961369550748
Energy: 1.537203794712322
Energy: 1.4666447435837398
Energy: 1.5741786988426487
Energy: 1.533150399937906
Energy: 1.4667773005492193
Energy: 1.5313209016007205
Energy: 1.5270480408488418
Energy: 1.469044882357756
Energy: 1.5400735672456314
Energy: 1.5269237403597151
Energy: 1.562314711649176
Energy: 1.5072101878285036
Energy: 1.5185173509279921
Energy: 1.5625944263958558
Energy: 1.4441342239551365
Energy: 1.5204639860904652
Energy: 1.6274839926802713
Energy: 1.526587607876377
Energy: 1.5283653405750601
Energy: 1.6297126050196844
Energy: 1.5387813564047832
Energy: 1.5268169584955462
Energy: 1.626952705691739
Energy: 1.536043892555513
Energy: 1.5341811518588773
Energy: 1.4948463283042495
Energy: 1.5446252132278822
Energy: 1.530522064495378
Energy: 1.6190864897757136
Energy: 1.5383655083432937
Energy: 1.5373481251528063
Energy: 1.5241735515820278
Energy: 1.543613203254778
Energy: 1.5269733776993295
Energy: 1.5590351710420207
Energy: 1.5100177780842803
Energy: 1.5222881204053171
Energy: 1.5587066295998988
Energy: 1.4427548457153132
Energy: 1.5277551416694823
Energy: 1.570461178507533
Energy: 1.51117099561914
Energy: 1.5117913904216431
Energy: 1.5722924269257472
Energy: 1.4436477611104015
Energy: 1.51009451930878
Energy: 1.5087728715987534
Energy: 1.520966647365689
Energy: 1.5248423442408063
Energy: 1.4413924872543746
Energy: 1.5206839311186024
Energy: 1.5422234295498887
Energy: 1.5798204963502296
Energy: 1.5219495720655347
Energy: 1.5215297126243321
Energy: 1.6064899953285665
Energy: 1.5771646634481296
Energy: 1.5112889571945032
Energy: 1.5793608263731345
Energy: 1.531861087689032
Energy: 1.5457820797289819
Energy: 1.5808126685636565
Energy: 1.5135323536554788
Energy: 1.532939388461059
Energy: 1.5550413560247185
Energy: 1.5690461388862484
Energy: 1.5456828927030795
Energy: 1.556863964256533
Energy: 1.4394813706754226
Energy: 1.5329580098478774
Energy: 1.461395747175439
Energy: 1.5141164355285688
Energy: 1.5207408414906574
Energy: 1.462515978540924
Energy: 1.5589243369702337
Energy: 1.5219597516906502
Energy: 1.4891558777660614
Energy: 1.5311264063081476
Energy: 1.5272371508087776
Energy: 1.4889079968228165
Energy: 1.5697367570689773
Energy: 1.5246811151839215
Energy: 1.5334357002432304
Energy: 1.548479109488339
Energy: 1.5398344025778845
Energy: 1.5337886849658615
Energy: 1.5445789615282723
Energy: 1.5005109693864798
Energy: 1.5647933087757375
Energy: 1.5091657167778696
Energy: 1.510688010487661
Energy: 1.565046058950135
Energy: 1.4339817335504068
Energy: 1.5190695498287619
Energy: 1.542021282224563
Energy: 1.549695970399183
Energy: 1.5335824413326316
Energy: 1.5066438204709862
Energy: 1.5918789463705838
Energy: 1.5305544878662158
Energy: 1.4979027815020625
Energy: 1.5512642302435382
Energy: 1.5488093205617495
Energy: 1.4634834174404971
Energy: 1.5622948717972727
Energy: 1.5452044063890726
Energy: 1.5443955955530877
Energy: 1.5345020988821032
Energy: 1.5281597402976197
Energy: 1.5445381396563458
Energy: 1.4681064691385421
Energy: 1.5259448714579222
Energy: 1.5741232641782097
Energy: 1.5369984700671622
Energy: 1.5374890348782602
Energy: 1.5745611172409963
Energy: 1.4684691855404544
Energy: 1.5383755339050968
Energy: 1.5622187718316816
Energy: 1.5707658264841942
Energy: 1.5717133539262773
Energy: 1.4318299371933825
Energy: 1.5772996980296743
Energy: 1.5142999424462489

minimum gb energy = 1.4318299371933825 eV
minimum distance =  2.28402161641023 Angstroms
sigma value = 101


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

Energy: 2.0626661294523108
Energy: 1.5278222385490816
Energy: 1.5246416300431285
Energy: 1.9169687859933686
Energy: 1.564031266250631
Energy: 1.919756526180672
Energy: 1.5575211930416748
Energy: 1.512411935325758
Energy: 1.4857370774964762
Energy: 1.6202098677561065
Energy: 1.5218295338534196
Energy: 1.4852685808098902
Energy: 1.5598127435825346
Energy: 1.394762485421666
Energy: 1.392351564154894
Energy: 1.5598338305043113
Energy: 1.395230012267039
Energy: 1.394586874120235
Energy: 1.5434395198321467
Energy: 1.489234120656918
Energy: 1.4851075179546687
Energy: 1.544675431618107
Energy: 1.485081371242206
Energy: 1.484144133198486
Energy: 1.4119316367766634
Energy: 1.544038708074616
Energy: 1.5130972137150016
Energy: 1.4150475169499113
Energy: 1.5590071854601109
Energy: 1.493578789565075
Energy: 1.485400746062606
Energy: 1.4850930726078608
Energy: 1.4870643655528066
Energy: 1.486084920010874
Energy: 1.5357727158134324
Energy: 1.4864945105658725
Energy: 1.4293556629260882
Energy: 1.4368015120518296
Energy: 1.4380467041645553
Energy: 1.4295101262447334
Energy: 1.4366120082207612
Energy: 1.4481018823860956
Energy: 1.4980584074992953
Energy: 1.485706926515709
Energy: 1.485892407802714
Energy: 1.4651165271710511
Energy: 1.483333841247133
Energy: 1.4856426801962668
Energy: 1.3944677412950324
Energy: 1.4956055991024115
Energy: 1.3924659348806945
Energy: 1.3941149105861257
Energy: 1.5594458377228455
Energy: 1.3946096573544962
Energy: 1.3921186775700427
Energy: 1.4899307491494744
Energy: 1.4859148983889734
Energy: 1.3915946817737874
Energy: 1.5420691999020997
Energy: 1.485637172790356
Energy: 1.540076591202459
Energy: 1.3628231362651697
Energy: 1.3629047696875474
Energy: 1.5402051599245972
Energy: 1.3622260329261777
Energy: 1.362329060762354
Energy: 1.5406550044409837
Energy: 1.4854564669652295
Energy: 1.4885088280027468
Energy: 1.540897666497747
Energy: 1.5030089532040796
Energy: 1.487632460151918
Energy: 1.4433620868633974
Energy: 1.4949942837377315
Energy: 1.472943374527072
Energy: 1.3896130264662083
Energy: 1.5261113669737258
Energy: 1.495542413890007
Energy: 1.4916432140032705
Energy: 1.4981095126464117
Energy: 1.4974887157398142
Energy: 1.4899878013701704
Energy: 1.5421758034953874
Energy: 1.491355392561419
Energy: 1.561821805379038
Energy: 1.3924804515981497
Energy: 1.4760019747847373
Energy: 1.5628016320716707
Energy: 1.3967601505387073
Energy: 1.4961660622787796
Energy: 1.624513678912793
Energy: 1.4776051250339786
Energy: 1.4859460723232807
Energy: 1.562173489936848
Energy: 1.3939431121050367
Energy: 1.4849468419973282
Energy: 2.063002533761538
Energy: 1.466870411522024
Energy: 1.5050519147045682
Energy: 1.360544750858616
Energy: 1.4663187060608331
Energy: 1.3611427753832943
Energy: 1.5604442282631477
Energy: 1.5434380781496897
Energy: 1.5111475484628858
Energy: 1.5591233557609874
Energy: 1.54311979645239
Energy: 1.491612369104066
Energy: 1.5593649357733927
Energy: 1.4791481593637281
Energy: 1.4854694501084933
Energy: 1.5594207685618342
Energy: 1.3935689940813374
Energy: 1.4852590148902762
Energy: 1.542248379592253
Energy: 1.4845824573103898
Energy: 1.484472178107352
Energy: 1.5439408109852786
Energy: 1.3935371481381977
Energy: 1.4908875120110239
Energy: 1.4162564711981183
Energy: 1.53706046695157
Energy: 1.4857887296049594
Energy: 1.4136049234196064
Energy: 1.5432368128816303
Energy: 1.4112406411666043
Energy: 1.485332728772352
Energy: 1.4899949603568021
Energy: 1.4864712525439012
Energy: 1.4873981565975383
Energy: 1.5623067900126075
Energy: 1.485850392250727
Energy: 1.4690820110402412
Energy: 1.4357587200060182
Energy: 1.4717613439865478
Energy: 1.4688735782106517
Energy: 1.4370302802507833
Energy: 1.4713897105345264
Energy: 1.4978664812494613
Energy: 1.4859324602542268
Energy: 1.4862053959253347
Energy: 1.4981758024493306
Energy: 1.4829789580731818
Energy: 1.5012447755647544
Energy: 1.406900245882102
Energy: 1.4852555124696571
Energy: 1.4845865260832045
Energy: 1.4068878959199869
Energy: 1.545324773356783
Energy: 1.4758106685425394
Energy: 1.3937083256293412
Energy: 1.4938027402719392
Energy: 1.4907675562260931
Energy: 1.3953528246347549
Energy: 1.5366007260992611
Energy: 1.4911201671932952
Energy: 1.5628286988029956
Energy: 1.3644411191089014
Energy: 1.4828815851955703
Energy: 1.5647809300917732
Energy: 1.3684725558156365
Energy: 1.4824088608411954
Energy: 1.560814120512129
Energy: 1.4821635996228772
Energy: 1.4822619318967962
Energy: 1.5611835246100547
Energy: 1.363792070246468
Energy: 1.494589356173951
Energy: 1.4430594848635891
Energy: 1.5177619692499045
Energy: 1.4952686819092544
Energy: 1.3877967633815795
Energy: 1.5612330677139272
Energy: 1.4953374354181277
Energy: 1.4444403210922425
Energy: 1.4931246983891207
Energy: 1.4751689727760058
Energy: 1.3879788274021305
Energy: 1.540199114894826
Energy: 1.4750204956416362
Energy: 1.5600119622609399
Energy: 1.4377641934090792
Energy: 1.484737692540061
Energy: 1.5607346786530394
Energy: 1.3945212758608865
Energy: 1.489052677340641
Energy: 1.5594697020914687
Energy: 1.4745278795769359
Energy: 1.4752529171102837
Energy: 1.5597605045766814
Energy: 1.4429930290892685
Energy: 1.4779516663652623
Energy: 1.467907392669046
Energy: 1.4369819594386921
Energy: 1.480388492432779
Energy: 1.3602104361198544
Energy: 1.4668752184039213
Energy: 1.5026058332826515

minimum gb energy = 1.3602104361198544 eV
minimum distance =  2.29554193038248 Angstroms
sigma value = 33


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

Energy: 0.020466031024695054
Energy: 0.02154128321070038
Energy: 0.021261886367117875
Energy: 0.023116416549189917
Energy: 1.1536697373392104
Energy: 0.021082836764476507
Energy: 0.021540304500801452
Energy: 0.17754073190949052
Energy: 0.1748808280017059
Energy: 0.17530877542263013
Energy: 0.1750963141832976
Energy: 0.17454898027159912
Energy: 1.740055976317533
Energy: 1.1544032764164036
Energy: 1.1518513184406298
Energy: 1.1485886327847938
Energy: 1.1528774468769136
Energy: 1.1517981219229643
Energy: 0.7622040323953371
Energy: 0.17754073190907504
Energy: 0.17488082800077107
Energy: 0.17530877542263013
Energy: 0.1750963141842324
Energy: 0.17454898027113172

minimum gb energy = 0.020466031024695054 eV
minimum distance =  2.45878127402711 Angstroms
sigma value = 1