Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.92180147767067
cohesive_energy=5.8506096220346135
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.63321079540058e-19, 2.6184853382452197e-19, 3.4577535244334397e-19, 4.1875610029867796e-19, 4.833206142956099e-19, 5.40930079524348e-19, 5.92582652027874e-19, 6.390105265279259e-19, 6.80782475729574e-19, 7.18358324326776e-19, 7.521834774237839e-19, 7.826264356464179e-19, 8.09759296943208e-19, 8.337374724476519e-19, 8.5480128865485e-19, 8.73147813290784e-19, 8.889308553123178e-19, 9.022849975567079e-19, 9.133288010948698e-19, 9.22169611761282e-19, 9.289019579773498e-19, 9.336139594579439e-19, 9.36388929388032e-19, 9.3729736353951e-19, 9.363120249096e-19, 9.33109273818234e-19, 9.272693399873039e-19, 9.182859356004659e-19, 9.055278030639239e-19, 8.882146823569199e-19, 8.654253219149039e-19, 8.360462089772459e-19, 7.98707482521876e-19, 7.51714039670022e-19, 6.929429963816339e-19, 6.19744352504076e-19, 5.287631501657519e-19, 4.1576002999309796e-19, 2.75279580547344e-19, 9.99740595673026e-20, -1.197180026634114e-19, -3.96428166727254e-19, -7.47348108342372e-19, -1.19616104229489e-18, -1.7763172123494597e-18, -2.5358931327625198e-18, -3.54524839041618e-18, -4.91172881978844e-18, -6.804828686990159e-18, -9.500667113124898e-18, -1.34745458184351e-17, -1.9599266546058598e-17, -2.96011746191304e-17, -4.72534761195522e-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: -1.26270284990531e-25 eV

========================================
theta = 0.0
========================================

Energy: 0.021689650809645987
Energy: 0.12337218382043232
Energy: 0.12523716857315081
Energy: 0.12477777309915249
Energy: 0.02557457161711985
Energy: 0.023194947923422547
Energy: 0.12374322829558072
Energy: 0.12554141001864183
Energy: 0.12430465480440073
Energy: 0.02474817053278216
Energy: 0.12346296749818372
Energy: 0.12533494718274454
Energy: 0.1232184468794502
Energy: 0.12448299377607726
Energy: 0.12593537343882993
Energy: 0.12360820802265711
Energy: 0.12308497635617287
Energy: 0.12423115259680328
Energy: 0.12418355595007356
Energy: 0.12519719239639984
Energy: 0.12653736910285523
Energy: 0.025727693213020427
Energy: 0.022148656080620676
Energy: 0.12323065588631933
Energy: 0.1239123800716568
Energy: 0.12581097021777551
Energy: 0.0245907934216869
Energy: 0.022275817646176296
Energy: 0.12322597649249371
Energy: 0.12480676092184392
Energy: 0.12410478317603103
Energy: 0.023519560741872215
Energy: 0.02309222021557722
Energy: 0.12457408498454102
Energy: 0.12348739460870276
Energy: 0.12504728555997788
Energy: 0.02356372292930136
Energy: 0.022508987248943645
Energy: 0.12306773492082007
Energy: 0.12316998827531157
Energy: 0.12387288558347632
Energy: 0.12437554830179723
Energy: 0.12645047759702377
Energy: 0.023692852313836006
Energy: 0.022464815965906104
Energy: 0.12348085072457748
Energy: 0.12517948432588288
Energy: 0.12645730245787679
Energy: 0.02451866710544513
Energy: 0.12273415549792527
Energy: 0.12598008046500916
Energy: 0.12313422021431664
Energy: 0.1243798040318699
Energy: 0.023289049224069998
Energy: 0.027021152557226164
Energy: 0.12469175067475322
Energy: 0.12343396501734083
Energy: 0.12513168151776116
Energy: 0.02394465764823424
Energy: 0.0281397650099096
Energy: 0.028269029251625836
Energy: 0.12638828214499248
Energy: 0.12364906141767631
Energy: 0.12428560449725613
Energy: 0.12720616375885263
Energy: 0.02802481651961325
Energy: 0.1265272687213473
Energy: 0.1238759403767581
Energy: 0.125000215247648
Energy: 0.12629508209388896

minimum gb energy = 0.021689650809645987 eV
minimum distance =  2.73659308389716 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.1908331601440263
Energy: 0.9187077960953288
Energy: 0.974656986956106
Energy: 0.9183130314502148
Energy: 0.9519870765986687
Energy: 1.0013563986728236
Energy: 0.9163922126742671
Energy: 0.936454235137733
Energy: 0.9552854977012339
Energy: 0.9511394008652145
Energy: 0.9588142215976826
Energy: 0.9244971529805008
Energy: 0.9286279210967107
Energy: 0.8635814257433551
Energy: 0.831397253890875
Energy: 0.8273383972156688
Energy: 0.9655821499647763
Energy: 0.9308519065067972
Energy: 0.8721921435741258
Energy: 0.943583808661437
Energy: 0.9514491387298721
Energy: 1.1017183346258441
Energy: 0.872231610147455
Energy: 0.9063752872394947
Energy: 0.9394088806227618
Energy: 0.8321205598410175
Energy: 1.080992251848646
Energy: 0.8677783919544605
Energy: 0.9275577467202843
Energy: 0.9308561045541748
Energy: 0.958195050524089
Energy: 0.9271334541748827
Energy: 0.9925976350381192
Energy: 0.8342878819201656
Energy: 0.9092113363680253
Energy: 0.8411564808996775
Energy: 0.9279818282176212
Energy: 1.005436281414754
Energy: 0.9204146805658502
Energy: 0.9348916720651467
Energy: 0.9058439889195422
Energy: 0.9746572096195102
Energy: 1.0017354858742953
Energy: 1.0593814747626253
Energy: 0.8875828417408742
Energy: 1.0292830641407409
Energy: 0.9757817982393729
Energy: 1.0248306786197874
Energy: 1.0617428898885293
Energy: 0.8894246507840797
Energy: 0.9889132493257319
Energy: 0.9625380101523536
Energy: 1.0080386992186756
Energy: 0.8666869014039449
Energy: 1.1172969803872979
Energy: 0.9726684987643353
Energy: 0.9627707720494694
Energy: 1.01945110354069
Energy: 0.8720534123957072
Energy: 1.0201332400321628
Energy: 0.9726484795068103
Energy: 1.0975706131666012
Energy: 1.1176514700659177
Energy: 0.991654545837597
Energy: 1.0337541317001346
Energy: 0.969785194173305
Energy: 1.1307158809786926
Energy: 0.9834237929292584
Energy: 0.8750264003291525
Energy: 0.9934030980120659
Energy: 0.9710962952766663
Energy: 0.9703627178198826
Energy: 1.0110785102854158
Energy: 0.8412967313978614
Energy: 0.9895848956436345
Energy: 0.9679469559722303
Energy: 0.9600918317892112
Energy: 1.0108562127634
Energy: 0.9911167517887464
Energy: 0.9916951214340184
Energy: 0.9032771259134958
Energy: 0.8995891303724612
Energy: 0.845661171031255
Energy: 0.9867927731338361
Energy: 0.996042263079836
Energy: 0.9031733973246732
Energy: 0.9016101482879365
Energy: 0.8511898402907018
Energy: 1.0655018965204535
Energy: 1.0014544607824896
Energy: 1.009993611534115
Energy: 0.9444650456319565
Energy: 0.8718554761858296
Energy: 0.92743525945377
Energy: 0.9966662852456033
Energy: 0.938967873128571
Energy: 0.9373667627469837
Energy: 0.8682635939563301
Energy: 0.920790894487013
Energy: 0.9961554903202053
Energy: 1.0113496717151507
Energy: 0.879282653576068
Energy: 0.9511611135886333
Energy: 0.8862788022905819
Energy: 0.9883383569772362
Energy: 1.0801182753618486
Energy: 0.836398143693651
Energy: 0.9509182288354581
Energy: 0.882337288959816
Energy: 0.9134415087295533
Energy: 0.9516389143469176
Energy: 0.7769223248176272
Energy: 0.8009566993660792
Energy: 0.8388796767411046
Energy: 0.9997738520577341
Energy: 1.070833321069332
Energy: 0.8733566003012607
Energy: 0.8875220278027548
Energy: 0.981192859510781
Energy: 0.9097027695756965
Energy: 0.904803301110627
Energy: 1.0444231667621786
Energy: 0.9748458303988123
Energy: 1.0129017893096213
Energy: 0.9976013436490091
Energy: 1.025551650748048
Energy: 0.9265238762216744
Energy: 1.021159705540741
Energy: 1.0170604066424198
Energy: 1.0000347566102479
Energy: 0.7751783540250171
Energy: 0.7790276509445189
Energy: 0.8913811684612444
Energy: 0.9903390886150792
Energy: 1.0940353093201698
Energy: 0.7852711733593754
Energy: 0.8805962875089702
Energy: 0.9981023109035333
Energy: 0.9831898490269766
Energy: 1.0187318222267876
Energy: 1.0719988878128386
Energy: 0.9545957648652856
Energy: 1.0015850956450723
Energy: 0.9711193121980751
Energy: 0.9831635660380192
Energy: 1.0256137034529018
Energy: 0.9848244314958887
Energy: 0.9982114587395458
Energy: 0.9828268059786778
Energy: 0.9595908751268811
Energy: 0.7748649424009605
Energy: 0.961767162775415
Energy: 0.9845117707684923
Energy: 0.9214596507444751
Energy: 0.8356381551981873
Energy: 0.8293883525079576
Energy: 1.1282342796246745
Energy: 0.9812370352596455
Energy: 0.8972113102467693
Energy: 0.7774194347834972
Energy: 0.7785484561797639
Energy: 1.0024963847120187
Energy: 0.8703286485534135
Energy: 0.9233305454140773
Energy: 0.8677529581792427
Energy: 0.8909136985759923
Energy: 1.0017589280639398
Energy: 0.8699286990563624
Energy: 0.9407713699286929
Energy: 0.775233727470733
Energy: 0.802874387074862
Energy: 0.8871571894635791
Energy: 1.0019823427712373
Energy: 0.8937711804918614
Energy: 0.8508332575494114
Energy: 0.9318334774226631
Energy: 0.8782275191510093
Energy: 1.0040718546301644
Energy: 0.7991081852951311
Energy: 0.8562013277613119
Energy: 0.8386989579291879
Energy: 1.0780221410263566
Energy: 1.0217274679333224
Energy: 1.0365852756531517
Energy: 0.8406732228572624
Energy: 0.915361574335932
Energy: 1.0037603510245787
Energy: 0.9856870977541726
Energy: 1.056274605269945
Energy: 0.7785285854994143
Energy: 0.9940864164173026
Energy: 1.0360401681907871
Energy: 1.0204174371901364
Energy: 0.8733140207961212
Energy: 0.996766360874498
Energy: 0.9839148627835675
Energy: 1.0362196289206473
Energy: 1.0037810328460082
Energy: 0.9458932874631114
Energy: 1.0193076814464217
Energy: 1.0256217341632654
Energy: 1.1284471242914156
Energy: 0.9808032606915856
Energy: 0.8717074250891083
Energy: 1.0753936978552516
Energy: 1.0280075782416387
Energy: 1.0378367907451473
Energy: 0.9893771267849432
Energy: 0.8756271210621849
Energy: 1.0268925109323968
Energy: 1.0240959274364267
Energy: 0.9773037469941479
Energy: 1.0294976353773393
Energy: 0.913080966582697
Energy: 0.9783232988205487
Energy: 1.0101143350191297
Energy: 0.9846281704994945
Energy: 1.0926943876203052
Energy: 0.9127390368612843
Energy: 0.9866560475992985
Energy: 0.9040765709420078
Energy: 0.8999107457172939
Energy: 0.8477130707396259
Energy: 0.9746733495896884
Energy: 1.0405730542570268
Energy: 0.9014322242098863
Energy: 0.8979325241316782
Energy: 0.8433351354553499
Energy: 0.9122365041951838
Energy: 1.000031973253397
Energy: 0.9071167119420956
Energy: 0.9366648990565752
Energy: 0.8804215528360795
Energy: 0.9286111137484021
Energy: 0.9864826096854388
Energy: 0.9372079981494608
Energy: 0.9345924617727717
Energy: 0.8749038457243556
Energy: 0.9211466825249389
Energy: 0.9866186344909711
Energy: 1.1049754534951142
Energy: 0.8830964286620665
Energy: 0.9140500285469993
Energy: 0.9141019038113561
Energy: 0.914942092686683
Energy: 0.9207357278373326
Energy: 0.8879049257830597
Energy: 0.9140226613793048
Energy: 0.8720351842626338
Energy: 0.8839696335662331
Energy: 1.0854035510699773
Energy: 0.8686679753547101
Energy: 0.8605603981728983
Energy: 0.8864691940436499
Energy: 1.0134404265484804
Energy: 0.9018996525308756
Energy: 0.8272732324448903
Energy: 0.8381286043149737
Energy: 0.8868931485085566
Energy: 1.0044411909038324
Energy: 1.0557518282458
Energy: 0.9960694587725742
Energy: 1.0483840616937146
Energy: 1.0086122299197726
Energy: 0.9944529531543103
Energy: 0.9463993198256795
Energy: 0.9293171274446301
Energy: 0.952649440951903
Energy: 1.0087065493602534
Energy: 0.9947663429557504
Energy: 0.9577100643460567
Energy: 0.939049606807795
Energy: 0.9864153719811242
Energy: 1.0025237849944526
Energy: 0.8318552516107813
Energy: 0.8269082132675424
Energy: 0.8328747467681645
Energy: 0.9478942183671759
Energy: 0.9986844978877478
Energy: 1.0315182294636558
Energy: 0.8485407565550219
Energy: 0.9167176260545352
Energy: 0.9881076846589003
Energy: 0.9271918591464106
Energy: 0.94837875471842
Energy: 1.0049779652566109
Energy: 0.9178229777367048
Energy: 0.9434667565286808
Energy: 0.9265362105072497
Energy: 1.0040829397731459

minimum gb energy = 0.7748649424009605 eV
minimum distance =  2.51874060974175 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4602136434028516
Energy: 0.9337571812141471
Energy: 0.9299432496703965
Energy: 0.9223629673131187
Energy: 0.9181805089237656
Energy: 0.9065608751820463
Energy: 0.9449363064071604
Energy: 0.9435262530426348
Energy: 0.9453659201095109
Energy: 0.9218045501630635
Energy: 1.016775907049417
Energy: 0.942570038454458
Energy: 0.9529994229498387
Energy: 0.9313081626251509
Energy: 0.9132870711840986
Energy: 0.970279212931171
Energy: 0.9429203313531309
Energy: 0.9749340911593779
Energy: 0.9808853305843253
Energy: 0.9254967161861785
Energy: 1.007468519032272
Energy: 0.9969768954263936
Energy: 1.0875978264459558
Energy: 0.9348436587329074
Energy: 0.8928903855660801
Energy: 0.9651169952661657
Energy: 0.9968698469532281
Energy: 1.087459447448762
Energy: 0.9517475616967965
Energy: 0.8940261873638127
Energy: 0.977103866881394
Energy: 0.9804392983771479
Energy: 0.9981918466264132
Energy: 0.9773453686061594
Energy: 0.9559107077395537
Energy: 0.9518573713052206
Energy: 0.9757263609288538
Energy: 0.9224060077928883
Energy: 0.979873515570056
Energy: 0.9135210332875716
Energy: 0.9891204559268104
Energy: 0.9376217640672241
Energy: 0.936979206004748
Energy: 0.9588850635453104
Energy: 0.9788682273475454
Energy: 0.9722143827804912
Energy: 0.9353002130850788
Energy: 0.933140125848473
Energy: 0.9626784148304808
Energy: 1.0157473726753918
Energy: 0.9034182911441054
Energy: 0.9276217761695594
Energy: 0.9688921922172091
Energy: 0.9666247729677956
Energy: 0.935823766028032
Energy: 0.9087605597020849
Energy: 0.9246370256683255
Energy: 0.9674021425461851
Energy: 0.9762282446162461
Energy: 0.9494608271947368
Energy: 0.9390415821282724
Energy: 1.008137703721613
Energy: 0.955935557958057
Energy: 0.9786848079619268
Energy: 0.9632364686646383
Energy: 0.9193210325371513
Energy: 1.0037986569535486
Energy: 0.960071195474253
Energy: 0.9666751235534564
Energy: 0.9483166128378495
Energy: 0.8959339696552339
Energy: 0.9948283330094744
Energy: 0.9973740279985106
Energy: 1.138569461323309
Energy: 0.9623002686861485
Energy: 0.9625136566585688
Energy: 0.9919145266375723
Energy: 0.9971784186820759
Energy: 1.1445787597334685
Energy: 0.9613972085324907
Energy: 0.937964130401142
Energy: 0.9355240146089391
Energy: 0.9467467359264679
Energy: 0.9365770026844806
Energy: 0.9801439242390944
Energy: 0.9366875306852682
Energy: 0.9774361540517055
Energy: 0.9286858418730972
Energy: 0.9482666664122903
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Energy: 0.9687409095583667
Energy: 0.9360773083969229
Energy: 0.9210535670783253
Energy: 1.0650293462578688
Energy: 0.9557750974417832
Energy: 0.9083013245606963
Energy: 0.9287838771039756
Energy: 0.9244981935656507
Energy: 0.9682856734399826
Energy: 0.9820496472144331
Energy: 0.9524670655858691
Energy: 0.9007797385351833
Energy: 0.9276550477177344
Energy: 0.9412831031524559
Energy: 0.9707666336300732
Energy: 0.9282457938544997
Energy: 0.8946119077194434
Energy: 0.9179333453981989
Energy: 0.9324592530634648
Energy: 0.984701673339716
Energy: 0.9488264067899057
Energy: 0.930442290712894
Energy: 0.9884373216701087
Energy: 0.935252081924185
Energy: 0.9763465281441347
Energy: 0.9439423519782993
Energy: 0.9276203013903086
Energy: 0.9347408678602508
Energy: 0.9357618865039828
Energy: 0.9482782673725735
Energy: 0.9685084285939317
Energy: 0.918455182165004
Energy: 0.9760044221513687
Energy: 1.139106381554906
Energy: 0.9885323918763088
Energy: 0.9324151595336586
Energy: 0.9844861205109873
Energy: 0.9730254299903071
Energy: 1.1394083590246027
Energy: 0.9987812747958146
Energy: 0.9916541403141087
Energy: 0.9064745143875453
Energy: 0.9777973926862947
Energy: 0.9380541086609331
Energy: 0.9586013851153449
Energy: 0.9555716348352286
Energy: 0.9020939961566603
Energy: 0.9324618983684427
Energy: 0.8971196420592814
Energy: 0.9301390391854828
Energy: 0.9393937841569243
Energy: 0.9606657375017033
Energy: 0.9387032715066895
Energy: 0.9047758520515753
Energy: 1.1007702171498934
Energy: 0.9207174597361163
Energy: 0.9105157822547423
Energy: 0.9116810078127346
Energy: 0.8980548941911812
Energy: 0.9572658747362038
Energy: 0.9644131516531279
Energy: 0.9011362966568114
Energy: 0.917449052192464
Energy: 0.9415771978607658
Energy: 0.9344562206792443
Energy: 0.913438267523429
Energy: 0.9061981354429892
Energy: 0.9076477193356548
Energy: 0.9054777178092699
Energy: 0.9079591026217068
Energy: 0.970401933405782
Energy: 0.9548273027977797
Energy: 0.9514880753863586
Energy: 0.995681131021646
Energy: 0.9707190020258228
Energy: 0.9443901772915629
Energy: 0.9309526125318283
Energy: 0.9012749208417392
Energy: 0.9208092354788444
Energy: 0.9722213519217154
Energy: 0.9739032161576887
Energy: 0.9119751631907671
Energy: 0.9853404055859164
Energy: 1.0028786335760842
Energy: 0.9417672905686232
Energy: 1.0208072586494503
Energy: 0.9853367764575647
Energy: 0.9911900916553301
Energy: 0.9918696549630288
Energy: 0.8804427198924798
Energy: 0.9276799090833743
Energy: 0.920570479422254
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minimum gb energy = 0.8788515857143057 eV
minimum distance =  2.50191759824282 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.9048924857284865
Energy: 0.8917937583948202
Energy: 0.9224751115700399
Energy: 0.9093710302106026
Energy: 0.9301732085960402
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Energy: 0.8943610811981003
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Energy: 0.9441233819846591
Energy: 0.9067333859770206
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Energy: 0.8854436968702643
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Energy: 0.9368491815626842
Energy: 0.9033405086004596
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Energy: 0.8925775253223276
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Energy: 0.9076868950030912
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Energy: 0.8974763169087777
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Energy: 0.9335310092660833
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Energy: 0.8956023182812801
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Energy: 0.8856569141926816
Energy: 0.9170330999496124
Energy: 0.9397280935708552
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Energy: 0.8918589201779821
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Energy: 0.9627176167067253
Energy: 0.8861548565768848
Energy: 0.8896359158209961
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Energy: 0.9031898784713022
Energy: 0.9647844921521003
Energy: 0.964123777212499
Energy: 0.8932999956863152
Energy: 0.9731465948411798
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Energy: 0.885893896264968
Energy: 0.9103042142527286
Energy: 0.9101199956801935
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Energy: 0.8907629669705754
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Energy: 0.9108426283836889
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Energy: 0.9000674240529034
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Energy: 0.8963311716644083
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Energy: 0.8978122909096733
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Energy: 0.8984456113831892
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Energy: 0.899331763400025
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Energy: 0.8901078411889043
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Energy: 0.8861974215779874
Energy: 0.8992124627496054
Energy: 0.9601428710446844
Energy: 0.972650734666912
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Energy: 0.893149730659807
Energy: 0.8972335497384731
Energy: 0.8952518282085083
Energy: 0.8901813076129097
Energy: 0.8939413677522433
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Energy: 0.8902016446495555
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Energy: 0.9051767249182786
Energy: 0.9087972127327493
Energy: 0.9025877335266751
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Energy: 0.8850722019912496
Energy: 0.9051757417369652
Energy: 0.9090351904014639
Energy: 0.9353788580930896
Energy: 0.9172712322787612
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Energy: 0.890538675813131
Energy: 0.9143479553549607
Energy: 0.9080373782759048
Energy: 0.8975325609819698
Energy: 0.9191100035950539
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Energy: 0.9144760389690119
Energy: 0.9082076786827511
Energy: 0.8980510016943793
Energy: 0.8861843107232021
Energy: 0.9364684283111652
Energy: 0.9532530699789546
Energy: 0.958011735007458
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Energy: 0.8896020698121115
Energy: 0.8923880726648065
Energy: 0.9574738277941217
Energy: 0.9030707520359798
Energy: 0.8842681996701944
Energy: 0.8898871510706674
Energy: 0.9520132491906386
Energy: 0.8928383422999073
Energy: 0.8929638732111944
Energy: 0.8896035452673714
Energy: 0.8947530968067826
Energy: 0.9522702664726848
Energy: 0.8930346477644735
Energy: 0.8926409379112341
Energy: 0.8884241904341427
Energy: 0.8955179159735518
Energy: 0.9067195299105144
Energy: 0.8907423060891946
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Energy: 0.9028729607267141
Energy: 0.9263390874291297
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Energy: 0.8903204809267201
Energy: 0.8911738815928869
Energy: 0.9046927693197776
Energy: 0.926070386571953
Energy: 0.8848640844941918
Energy: 0.9089162098116313
Energy: 0.9011813555163429
Energy: 0.9465974280251052
Energy: 0.9379695124429881
Energy: 0.8850169148373108
Energy: 0.9104871017219962
Energy: 0.8927042292830781
Energy: 0.9466212826838832
Energy: 0.9379017496155461
Energy: 0.8906329780981884
Energy: 0.9085083707938596
Energy: 0.9484968573963592
Energy: 0.909140608522779
Energy: 0.8925935666182029
Energy: 0.9066151984423922
Energy: 0.9084415900701247
Energy: 1.0061811423441465
Energy: 0.9087502811083652
Energy: 0.8926557010157902
Energy: 0.8925705238374482
Energy: 0.9314442993796691
Energy: 0.9346077641974837
Energy: 0.9386510807329428
Energy: 0.8819135712857195
Energy: 0.8918717029437305
Energy: 0.9093048358501903
Energy: 0.9307082629086924
Energy: 0.8943237946490517
Energy: 0.9768825044243333
Energy: 0.9244270448985515
Energy: 0.9388243289075213
Energy: 0.8949705543677386
Energy: 0.8916707787859026
Energy: 0.8884033088469104
Energy: 0.9009677446069768
Energy: 0.9488234803504327
Energy: 0.8945352756478755
Energy: 0.891932118916864
Energy: 0.8833049236596593
Energy: 0.9673868963912855
Energy: 0.9011610401845139
Energy: 0.8895510301101813
Energy: 0.8930646200418373
Energy: 0.9573505438952226
Energy: 0.9097106974690553
Energy: 0.8905041534718228
Energy: 0.8898637134020859
Energy: 0.8932875630061037
Energy: 0.9522088411751155
Energy: 0.8924246468164908
Energy: 0.8869715281281387
Energy: 0.9383602298903393
Energy: 0.8837735065247
Energy: 0.9700575827326284
Energy: 0.8929051267313988
Energy: 0.8867438953927711
Energy: 0.9376719153044248
Energy: 0.8862324288271403
Energy: 0.9706373442959807
Energy: 0.8920066985555446
Energy: 0.8902281037080139
Energy: 0.9106077156755775
Energy: 0.9112910023698422
Energy: 0.8908818198377813
Energy: 0.8936229210094147
Energy: 0.9124591012273252
Energy: 0.9100498534512816
Energy: 0.9617601157829008
Energy: 0.8910928706978536
Energy: 0.9588647421177205
Energy: 0.8948341785563234
Energy: 0.8968837478320406
Energy: 0.9020763024617382
Energy: 0.8966950675124514
Energy: 0.9045114477345125
Energy: 0.8946722868692948
Energy: 0.8964603479502642
Energy: 0.9020087990474643
Energy: 0.9184056120848401

minimum gb energy = 0.8810629257083197 eV
minimum distance =  2.54738885797576 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.1784143089317964
Energy: 0.9096093851677487
Energy: 0.9047616804966645
Energy: 0.9128529923793619
Energy: 0.8519100081044559
Energy: 1.1276583904117476
Energy: 0.9071844169637983
Energy: 0.9270583066670021
Energy: 0.9183341968845494
Energy: 0.8865682877792519
Energy: 0.9204148177750913
Energy: 0.9314689234992176
Energy: 0.8971555702069353
Energy: 0.8921255514182271
Energy: 0.8733587024990999
Energy: 0.8928146131926419
Energy: 0.8750835200576
Energy: 0.9058851413800271
Energy: 0.9017703343783302
Energy: 0.9632316516119779
Energy: 0.8996289296953215
Energy: 0.8956741412556456
Energy: 1.0196306669653585
Energy: 0.90653520762837
Energy: 0.8688494362563812
Energy: 0.8698918583289802
Energy: 0.8944135564412748
Energy: 0.9433714699521126
Energy: 0.905866638959453
Energy: 0.9116955043824646
Energy: 0.9121010573611985
Energy: 0.9172334331881742
Energy: 0.9064532232824316
Energy: 0.9073423522947588
Energy: 0.8968486400490857
Energy: 0.8658670635164119
Energy: 0.9027071424672248
Energy: 0.8853773265159106
Energy: 0.9021150709122944
Energy: 0.8989695349716983
Energy: 0.9454729877345212
Energy: 0.8892088538247523
Energy: 0.9059284499229946
Energy: 0.9084735840692861
Energy: 0.871349161705136
Energy: 0.8999089259624885
Energy: 0.872228036952669
Energy: 0.89954544932333
Energy: 0.9037479985109322
Energy: 0.8744826653234382
Energy: 0.9272580478458162
Energy: 0.9446531005435831
Energy: 0.9439843101744254
Energy: 0.8845784619328082
Energy: 0.9362745442242414
Energy: 0.9268487351122981
Energy: 0.8729627510237419
Energy: 0.9481355259366352
Energy: 0.8848914982919591
Energy: 0.9253217454655687
Energy: 0.9141260310743261
Energy: 0.920513197856543
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Energy: 0.9402311524644565
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Energy: 0.910690019770916
Energy: 0.8882876606079038
Energy: 0.9317431690464887
Energy: 0.9441995312061962
Energy: 0.8872614319704016
Energy: 0.8556928643130867
Energy: 0.8902735376389629
Energy: 0.908724892612655
Energy: 0.920018729240608
Energy: 0.9293689430053353
Energy: 0.8515117748129465
Energy: 0.8849235193698579
Energy: 0.913150124241309
Energy: 0.9219370038787419
Energy: 0.8518761117764848
Energy: 0.85424409602705
Energy: 0.928459810631275
Energy: 0.9308909695381937
Energy: 0.9125690569065824
Energy: 0.8650137128064926
Energy: 0.8521012020760523
Energy: 0.87582686399155
Energy: 0.9466836622214051
Energy: 0.9056640801890526
Energy: 0.8448060277821461
Energy: 0.9009735500595271
Energy: 0.9297226265561349
Energy: 0.9118633078925659
Energy: 0.9163774845316265
Energy: 0.886985404367851
Energy: 0.8996340092708841
Energy: 0.9304517748954906
Energy: 0.9055129055940531
Energy: 0.9057886775533642
Energy: 0.9333819329723505
Energy: 0.9067789201700339
Energy: 0.906397211268495
Energy: 0.902136580790784
Energy: 0.9484959564365903
Energy: 0.8999695861481772
Energy: 0.901603412114991
Energy: 0.9028338860473923
Energy: 0.9083952508664688
Energy: 0.9578963919401163
Energy: 0.8971712302821298
Energy: 0.9432073385444701
Energy: 0.94877318723702
Energy: 0.9032814397409548
Energy: 0.9008546684652227
Energy: 0.9233643717301437
Energy: 0.9060885063087339
Energy: 0.8706808029605383
Energy: 0.9095382755331911
Energy: 0.9074684861803739
Energy: 0.9193249315158475
Energy: 0.890347753892984
Energy: 0.8706592715874536
Energy: 0.8683686764983518
Energy: 0.9141667649558084
Energy: 0.9154002723187201
Energy: 0.9276481744324669
Energy: 0.8694684898894763
Energy: 0.9080061035967842
Energy: 0.921783179498242
Energy: 0.9287144935192992
Energy: 0.901481097660914
Energy: 0.8922108317670073
Energy: 0.9168594080819231
Energy: 0.901535859852466
Energy: 0.8657697681522001
Energy: 0.8743109578687094
Energy: 0.8917820252482128
Energy: 0.9314349317859093
Energy: 0.9010976235420651
Energy: 0.9175972960950313
Energy: 0.8900580150702315
Energy: 0.9050352499321385
Energy: 0.9256500706984498
Energy: 0.9367743692470768
Energy: 0.888314621709778
Energy: 0.8937166133415938
Energy: 0.8654382325435493
Energy: 0.9209711240499875
Energy: 0.931183290836848
Energy: 0.9323953869037829

minimum gb energy = 0.8448060277821461 eV
minimum distance =  2.57709315500042 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.1749057891221522
Energy: 0.8744737170721255
Energy: 0.818894262397571
Energy: 0.7859929237354115
Energy: 0.7928427373795742
Energy: 0.7745890483261453
Energy: 0.8123189030671536
Energy: 0.8251904566669822
Energy: 0.8110044289290795
Energy: 0.8343472295322679
Energy: 0.8059721544149341
Energy: 0.8143565843367069
Energy: 0.8025249572776184
Energy: 0.8052072689306778
Energy: 0.77689824187742
Energy: 0.806776867284808
Energy: 0.7983939600681816
Energy: 0.8095684198285699
Energy: 0.8129778646047197
Energy: 0.8345216946529517
Energy: 0.7976547382681738
Energy: 0.8092636305558536
Energy: 0.8114612199356055
Energy: 0.8126031043216622
Energy: 0.8147989628260282
Energy: 0.7702965698686293
Energy: 0.8425737163270834
Energy: 0.8464260710219049
Energy: 0.8428138235748711
Energy: 0.8149513790739114
Energy: 0.8178246518903693
Energy: 0.8185056059095851
Energy: 0.8074565933644959
Energy: 0.7711207110345263
Energy: 0.9348135029905659
Energy: 0.7828107143186922
Energy: 0.8195810447595552
Energy: 0.7907437044834915
Energy: 0.7958017223038127
Energy: 0.9370476375373642
Energy: 0.8407781215568829
Energy: 0.805101877558401
Energy: 0.8064645278185558
Energy: 0.8030723468249382
Energy: 0.800842292933996
Energy: 0.7849588705525629
Energy: 0.7980272531216316
Energy: 0.8001187744742772
Energy: 0.7970195833444927
Energy: 0.8581253732657254
Energy: 0.8312321419483065
Energy: 0.8682450741422875
Energy: 0.8261414892625032
Energy: 0.8089896656204237
Energy: 0.784618469507219
Energy: 0.8003964288381754
Energy: 0.7829648502943845
Energy: 0.8227545099857583
Energy: 0.7856107982324528
Energy: 0.8019349707369656
Energy: 0.8484753064867812
Energy: 0.8005452695643402
Energy: 0.8002964242572357
Energy: 0.7854176763943911
Energy: 0.807831193938535
Energy: 0.8367690096299336
Energy: 0.8008364894169899
Energy: 0.8001557886035915
Energy: 0.7866991979730772
Energy: 0.8144618304113116
Energy: 1.0083098757526106
Energy: 0.8017159705346842
Energy: 0.8083890259755042
Energy: 0.8555451957215195
Energy: 0.7978884964221643
Energy: 0.8438497003137212
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Energy: 0.8283961112853061
Energy: 0.7983312579122295
Energy: 0.8880865777299457
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Energy: 0.8863351161480664
Energy: 0.7925479410909209
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Energy: 0.803958853797704
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Energy: 0.8972246047330952
Energy: 0.8307567459036709
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Energy: 0.8046117812624695
Energy: 0.8072093991107949
Energy: 0.8021534915320819
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Energy: 0.7987603324444059
Energy: 0.8084764284196796
Energy: 0.8045796636603676
Energy: 0.8345430732565629
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Energy: 0.8129366680673896
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Energy: 0.824130785567421
Energy: 0.8485846921348309
Energy: 0.8228153153521486
Energy: 0.8125512507404075
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Energy: 0.8103213563706215
Energy: 0.8485465783607427
Energy: 0.8729083129229247
Energy: 0.8381069050918253
Energy: 0.8546093025622362
Energy: 0.8082090175534209
Energy: 0.792105073865482
Energy: 0.8416410617162053
Energy: 0.8100002270602219
Energy: 0.8089578640114384
Energy: 0.8006350686229743
Energy: 0.802194956682199
Energy: 0.8381598190446482
Energy: 0.7963468700045562
Energy: 0.8872145240618
Energy: 0.8224002625837766
Energy: 0.8008753475106525
Energy: 0.783361326884158
Energy: 0.8063342874957842
Energy: 0.8820481234068052
Energy: 0.8363530080093976
Energy: 0.787898554701542
Energy: 0.8039895401632332
Energy: 0.8346028589329169
Energy: 0.8149413337847463
Energy: 0.8182539126715919
Energy: 0.7799593185095008
Energy: 0.8045251527297388
Energy: 0.8217630738940788
Energy: 0.8276591100191889
Energy: 0.8142195997960876
Energy: 0.7871388099127026
Energy: 0.8216096916273953
Energy: 0.8202746925836024
Energy: 0.8131199622398909
Energy: 0.7835638708009447
Energy: 0.7817264986968996
Energy: 0.8140838602331283
Energy: 0.8144509686340206
Energy: 0.8165246419462815
Energy: 0.7993905900096111
Energy: 0.7967074919979742
Energy: 0.840765731140975
Energy: 0.872293343356923
Energy: 0.8193754301444368
Energy: 0.8158584342876116
Energy: 0.7829575285595142
Energy: 0.8168337064237802
Energy: 0.8704251581502813
Energy: 0.844427372141752
Energy: 0.8169241041013989
Energy: 0.7825899956055367
Energy: 0.817090448482891
Energy: 0.7993882382013169
Energy: 0.7985710747653695
Energy: 0.7846779943321858
Energy: 0.8144031848120368
Energy: 0.8150484456876195
Energy: 0.7991510487274693
Energy: 0.7966991712133146
Energy: 0.7844495925173611
Energy: 0.815368118987984
Energy: 0.8181096677853419
Energy: 0.7978371285140347
Energy: 0.7983514403330936
Energy: 0.7817205447117518
Energy: 0.8123873921634536
Energy: 0.7819469312514579
Energy: 0.7959565503801279
Energy: 0.7960780324663339
Energy: 0.8593791045493313
Energy: 0.8181392191131908
Energy: 0.8714687436384412
Energy: 0.8013799630360152
Energy: 0.8179904295131344
Energy: 0.7845770554274615
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Energy: 0.8673788817758664
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Energy: 0.808164418053281
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Energy: 0.8468033699428156
Energy: 0.8204615700859067
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Energy: 0.8043207734615611
Energy: 0.800552108086667
Energy: 0.8322131394928014
Energy: 0.8208357552269342
Energy: 0.7815012269682932
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Energy: 0.8113559056848881
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Energy: 0.781600342560387
Energy: 0.8023003390451783
Energy: 0.812615050346704
Energy: 0.8393632803819973
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Energy: 0.8175610803684434
Energy: 0.8033974871068069
Energy: 0.8122443296578336
Energy: 0.8260039185635079
Energy: 0.801527914226592
Energy: 0.8198528344045084
Energy: 0.8194627327938482
Energy: 0.8153894187767065
Energy: 0.8317137035248808
Energy: 0.7860720271579377
Energy: 0.8026315828455164
Energy: 0.8018984312983614
Energy: 0.8115410522229287
Energy: 0.7813057011883338
Energy: 0.7864078860978921
Energy: 0.8061174588252057
Energy: 0.8059405628914711
Energy: 0.8028931740238362
Energy: 0.8063156031712846
Energy: 0.8672137315586824
Energy: 0.8469847823394329
Energy: 0.7963880112142999
Energy: 0.8362479878421544
Energy: 0.8074323900592483
Energy: 0.7860448424969257
Energy: 0.8371402909955834
Energy: 0.8152280229219114
Energy: 0.8404294685528103
Energy: 0.8081481418701516
Energy: 0.8441054384586718
Energy: 0.819278614308933
Energy: 0.8202481371918765
Energy: 0.7955078468533536
Energy: 0.779225551011483
Energy: 0.780715261549686
Energy: 0.8093743859977329
Energy: 0.8111940478403149
Energy: 0.8431478955632108
Energy: 0.8201834474368317
Energy: 0.8108931934538803
Energy: 0.8862968681774388
Energy: 0.8468975084994792
Energy: 0.7731161499326248
Energy: 0.9517052188720688
Energy: 0.775312995780108
Energy: 0.8739215675923877
Energy: 0.8040834836108325
Energy: 0.8057329030166335

minimum gb energy = 0.7702965698686293 eV
minimum distance =  2.56012587683704 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.5241467291586727
Energy: 0.5710891260511038
Energy: 0.5069776491260495
Energy: 0.30710675371663904
Energy: 0.30648808345162093
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Energy: 0.5402536045050641
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Energy: 0.5510686060308057
Energy: 0.5444066010684224
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Energy: 0.3065663711605967
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Energy: 0.5364547788981489
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Energy: 0.34082192190817245
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Energy: 0.33988269287035294
Energy: 0.5377384126171137
Energy: 0.5811576856235147
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Energy: 0.33402999800357264
Energy: 0.5325898894274577
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Energy: 0.3342638676141889
Energy: 0.33395203800568785
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Energy: 0.5230220426830862
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Energy: 0.30641825962500874
Energy: 0.5468557747366773
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Energy: 0.5220214783251214
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Energy: 0.5446804146587317
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Energy: 0.5298869594334532
Energy: 0.5266278151593498
Energy: 0.5489722097976758
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Energy: 0.5411180417528421
Energy: 0.5072763395455738
Energy: 0.3620063444295101
Energy: 0.5303844021207416
Energy: 0.580672658950232
Energy: 0.5399004261252653
Energy: 0.5258307035808429
Energy: 0.3397300669431505
Energy: 0.5235745616254387
Energy: 0.5813077303264058
Energy: 0.5460877253540803
Energy: 0.3353385654950188
Energy: 0.3376710682186429
Energy: 0.5379500142149473
Energy: 0.537173385189644
Energy: 0.5154811930606588
Energy: 0.33442002768419593
Energy: 0.3400518374541206
Energy: 0.5389321898690577
Energy: 0.5242487461702494
Energy: 0.5054770866086454
Energy: 0.5240395972244579
Energy: 0.5463107272387302
Energy: 0.5070478201498978
Energy: 0.539598024373332
Energy: 0.5162973375707092
Energy: 0.5196577828032604
Energy: 0.5487384904519792
Energy: 0.5075311228739889
Energy: 0.5255655271260614
Energy: 0.5226710844871214
Energy: 0.4130967533722251
Energy: 0.519449803851433
Energy: 0.5390556506153227
Energy: 0.573357479351242
Energy: 0.5458704207926245
Energy: 0.3066465014973724
Energy: 0.5323425151326713
Energy: 0.5554195976011048
Energy: 0.5995296938537845
Energy: 0.4128116586737017

minimum gb energy = 0.3055234222003155 eV
minimum distance =  2.61856792099341 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.2167346963559125
Energy: 0.7258701131806159
Energy: 0.7182872175634296
Energy: 0.7197885680260662
Energy: 0.6787310779683816
Energy: 0.7464559576009964
Energy: 0.700502187472649
Energy: 0.7189075989013218
Energy: 0.7342371475210049
Energy: 0.6800477135812204
Energy: 0.6836290456273132
Energy: 0.7014095063868165
Energy: 0.7213346770437954
Energy: 0.7175470060435098
Energy: 0.6999565327544877
Energy: 0.6833973389788595
Energy: 0.7547327369527697
Energy: 0.7209574608667739
Energy: 0.7173646381066778
Energy: 0.6999881344178811
Energy: 0.7124610686739262
Energy: 0.7180170163777099
Energy: 0.7193411391239156
Energy: 0.7530412651221312
Energy: 0.6757120455518716
Energy: 0.7004731362553832
Energy: 0.7174949626926898
Energy: 0.7198356469640955
Energy: 0.7587086741725104
Energy: 0.6761905289666073
Energy: 0.7544559466111833
Energy: 0.733321813241618
Energy: 0.7241080326495811
Energy: 0.6997281311558835
Energy: 0.6744022641038737
Energy: 0.7433006454746159
Energy: 0.7347192821767121
Energy: 0.7180131160711127
Energy: 0.6997934313300914
Energy: 0.676471291813819
Energy: 0.6986184924766511
Energy: 0.7004136245968456
Energy: 0.7322399479314408
Energy: 0.6826156829383843
Energy: 0.7145999781944925
Energy: 0.698699446590896
Energy: 0.7009572168299573
Energy: 0.732063354446333
Energy: 0.6826463088993754
Energy: 0.7148609457905305
Energy: 0.698680940533086
Energy: 0.6983256546694028
Energy: 0.7577239151109594
Energy: 0.7237185786082015
Energy: 0.6752794405428251
Energy: 0.6991554462120799
Energy: 0.6986792049465067
Energy: 0.7577577867079778
Energy: 0.6994397759673956
Energy: 0.6757629640723632
Energy: 0.7944386315454355
Energy: 0.7004926595338513
Energy: 0.7007252242649216
Energy: 0.7160717333884433
Energy: 0.7554611648894022
Energy: 0.792490946626014
Energy: 0.7000172640173749
Energy: 0.7008879605805992
Energy: 0.7315757214519485
Energy: 0.7535660710793805
Energy: 0.6828369278697888
Energy: 0.6989338164612304
Energy: 0.677067856853648
Energy: 0.6849623273633004
Energy: 0.6824797775668686
Energy: 0.6828465373101187
Energy: 0.6987689694827935
Energy: 0.6768286406338925
Energy: 0.6846789273944007
Energy: 0.6825126650659594
Energy: 0.6825234634405825
Energy: 0.6786529234159671
Energy: 0.6760533769223072
Energy: 0.6781939185156924
Energy: 0.6834910416755984
Energy: 0.6825221145572412
Energy: 0.6775598494017894
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Energy: 0.674171039889317
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Energy: 0.6824126152395057
Energy: 0.6854425145066683
Energy: 0.6768024901718971
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Energy: 0.6826695746054849
Energy: 0.7682933581602157
Energy: 0.6758931777502634
Energy: 0.6847870666888635
Energy: 0.6999383525965359
Energy: 0.7606076664283358
Energy: 0.7592334249995575
Energy: 0.6742064886914121
Energy: 0.7146395052602894
Energy: 0.7007275248005966
Energy: 0.759089024202616
Energy: 0.6804523393090274
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Energy: 0.7162766259353782
Energy: 0.698673818203794
Energy: 0.6989111057411462
Energy: 0.6800694413947177
Energy: 0.715945380687374
Energy: 0.7929726963271524
Energy: 0.6983774473123023
Energy: 0.6990301655815861
Energy: 0.7150195735507451
Energy: 0.6828511970654636
Energy: 0.7318364330795788
Energy: 0.7446099016430552
Energy: 0.699084681649084
Energy: 0.7147862244008639
Energy: 0.6825566602367142
Energy: 0.7318375835550687
Energy: 0.7032623633623505
Energy: 0.6988087509334051
Energy: 0.6759248108117636
Energy: 0.6997215828983739
Energy: 0.7182229859425433
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Energy: 0.7178338452746169
Energy: 0.720076165658277
Energy: 0.6995184199849743
Energy: 0.718224274646167
Energy: 0.7442314632398565
Energy: 0.7164969846216698

minimum gb energy = 0.6728834846114667 eV
minimum distance =  2.54790517160066 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.2396866232875121
Energy: 0.8934658079003917
Energy: 0.9026094739938466
Energy: 0.9130522392884246
Energy: 0.8670329881956854
Energy: 0.8625624761632592
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Energy: 0.9066850189422118
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Energy: 0.9030657758406221
Energy: 0.8685318111021635
Energy: 0.9035007537319376
Energy: 0.9022260972418614
Energy: 0.9084462051922895
Energy: 0.9500410215922339
Energy: 0.860610640446051
Energy: 0.9035990216072083
Energy: 0.9021351595015005
Energy: 0.910324804126747
Energy: 0.8684751204025359
Energy: 0.8612901786825098
Energy: 0.9938129567816457
Energy: 0.9272322823669422
Energy: 0.9025330032720484
Energy: 0.8676168934220891
Energy: 0.8608955635458244
Energy: 0.9194882411334568
Energy: 0.9273374409210129
Energy: 0.9025806393120225
Energy: 0.8670839653133848
Energy: 0.8614941872191855
Energy: 0.8657086022039694
Energy: 0.8692351151838477
Energy: 0.9243195660176807
Energy: 0.8667891347400701
Energy: 0.8872334665385528
Energy: 0.8658441989337338
Energy: 0.9294553197398568
Energy: 0.9246955002583962
Energy: 0.8671958456711634
Energy: 0.9100682623738106
Energy: 0.8669398386653663
Energy: 0.8699924071747969
Energy: 0.9306690133407551
Energy: 0.9171707286360109
Energy: 0.8684531919130318
Energy: 0.8666231739321035
Energy: 0.8682322310066132
Energy: 0.9308830966959403
Energy: 0.9187469812041793
Energy: 0.8680522281107415
Energy: 0.868965938581718
Energy: 0.8661954802970646
Energy: 0.8682886068650164
Energy: 0.8682144256718038
Energy: 0.8685059082274356
Energy: 0.8668576089937545
Energy: 0.8645580295440027
Energy: 0.8992080397252741
Energy: 0.9213399039276943
Energy: 0.8688476140837371
Energy: 0.868943036261636
Energy: 0.8648416881124621
Energy: 0.9037979984953396
Energy: 0.8680947498680903
Energy: 0.8657119261687752
Energy: 0.8695242123921225
Energy: 0.8657729131184411
Energy: 0.922924771603233
Energy: 0.868916848104438
Energy: 0.8674401979238784
Energy: 0.8547765973212534
Energy: 0.8692950879511525
Energy: 0.90231044769354
Energy: 0.9031485030675137
Energy: 0.8669123788895233
Energy: 0.855743516108382
Energy: 0.867514488122413
Energy: 0.9035746750934426
Energy: 0.903740704107941
Energy: 0.8662151390877549

minimum gb energy = 0.8547765973212534 eV
minimum distance =  2.55980003384952 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.489348711484988
Energy: 1.0558482379067007
Energy: 1.0595792201879766
Energy: 1.0225341801396637
Energy: 1.0004753294399127
Energy: 1.011392975455254
Energy: 1.0385738720797508
Energy: 1.058603911189076
Energy: 1.0338992122821171
Energy: 1.003470504656762
Energy: 1.0499932603418631
Energy: 1.0199971264795427
Energy: 1.065408813695208
Energy: 1.0626654453352857
Energy: 1.0273239743487599
Energy: 1.039691109224223
Energy: 1.0161035638816867
Energy: 1.0662386004636077
Energy: 1.0703285968332228
Energy: 1.0133991365605555
Energy: 1.019805043320259
Energy: 1.0286179135266293
Energy: 1.0317660001281874
Energy: 1.0578672342349942
Energy: 1.0088310434213092
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minimum gb energy = 0.9964674469480661 eV
minimum distance =  2.52202525597558 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.0214540846610012
Energy: 0.9945841744973276
Energy: 1.0560682112488786
Energy: 1.0129578549970064
Energy: 0.9934694475117255
Energy: 1.0120999786550848
Energy: 1.0090469681762997
Energy: 1.0496232442057132
Energy: 1.0115773342857661
Energy: 0.9890545753407407
Energy: 1.0146630414163316
Energy: 1.010934082438437
Energy: 1.0493550067030275
Energy: 0.9982071938468801
Energy: 1.0052824951864412
Energy: 1.0286524803727968
Energy: 1.0310041433837254
Energy: 1.0336407139873354
Energy: 0.9978913476089889
Energy: 0.9983377195757985
Energy: 1.060663852296343
Energy: 1.0626235015811383
Energy: 1.032489688884381
Energy: 1.1003943577854665
Energy: 1.0326982449686573
Energy: 1.0084154339711902
Energy: 1.008329028206211
Energy: 0.9882510449714405
Energy: 1.033257701128272
Energy: 1.005264595362029
Energy: 1.0141900504415668
Energy: 1.0095367509817657
Energy: 0.9876661446755877
Energy: 1.0121152600848151
Energy: 1.000339997916461
Energy: 1.0408270195875258
Energy: 1.0372837061761577
Energy: 1.0199511129043284
Energy: 1.0131260254226004
Energy: 1.0010924366505671
Energy: 1.0408860835450944
Energy: 1.037581848507191
Energy: 1.000309063189109
Energy: 1.0211756178040845
Energy: 1.018638256043738
Energy: 1.004807886564228
Energy: 1.0546769004044387
Energy: 0.9953904515860201
Energy: 1.0195178731780505
Energy: 1.0181370389389528
Energy: 1.0081138977479953
Energy: 1.0544637937298422
Energy: 0.9956947902262481
Energy: 1.0806737728456761
Energy: 0.9999436777220613
Energy: 0.9883408310042239
Energy: 1.0186779942370112
Energy: 1.0027750736168972
Energy: 1.0578464986527596
Energy: 0.9957937445965648
Energy: 0.9877654574489259
Energy: 1.0200237784871293
Energy: 1.027321372883445
Energy: 1.0234087623642205
Energy: 0.9862687243544782
Energy: 1.0161992370598456
Energy: 1.0166954516673181
Energy: 1.0000168016740374
Energy: 1.0273578618643169
Energy: 0.9907971264861537
Energy: 1.0169612117856757
Energy: 1.016860775209356
Energy: 0.9996782287473477
Energy: 1.0166852617428064
Energy: 1.0115196042375845
Energy: 1.0387295520841
Energy: 1.0343364795052465
Energy: 1.0263625909326861
Energy: 1.017280768430895
Energy: 1.009734474511125
Energy: 1.0382790557351074
Energy: 1.0348471495303357
Energy: 1.0219026474526234
Energy: 0.9818881380788823
Energy: 1.1211733515584663
Energy: 1.0349837876554453
Energy: 1.0093428298885117
Energy: 1.0252125684456799
Energy: 0.9815989775783664
Energy: 1.1199517303236148
Energy: 1.01189562480882
Energy: 1.0107875562769537
Energy: 1.0257702342127941
Energy: 1.076091359575096
Energy: 1.0517524251601196
Energy: 1.0638928725653778
Energy: 1.0769625567773542
Energy: 1.0608324557528794
Energy: 1.0022849328138859
Energy: 1.0524694571373343
Energy: 0.9985182934346398
Energy: 1.0804623302875047
Energy: 1.0382938012976441
Energy: 1.0051224756643085
Energy: 1.0602318299946594
Energy: 1.0525164907303084
Energy: 1.030674370037333
Energy: 1.0380165696266446
Energy: 1.0304607544392312
Energy: 1.0604235397443218
Energy: 1.054000675128735
Energy: 1.0049829002403305
Energy: 1.0553760684148792
Energy: 1.016200912939571
Energy: 1.0477768265482437
Energy: 1.0472474819385669
Energy: 0.9986322498771582
Energy: 1.0133390034079173
Energy: 1.0074398514120984
Energy: 1.0481391825639872
Energy: 1.0410899226904642
Energy: 1.008741417584858
Energy: 1.0136613273776154
Energy: 1.0119695916566251
Energy: 1.0140840021861826
Energy: 0.9836269767867344
Energy: 1.0516333761082437
Energy: 1.022423058058194
Energy: 1.010040298533182
Energy: 1.0028271487358809
Energy: 0.9812156754943817
Energy: 1.051155069587824
Energy: 1.0212087685145612
Energy: 1.0396238763070962
Energy: 1.0385906470934203
Energy: 1.0065992539003863
Energy: 1.01909655479139
Energy: 1.0023418944979672
Energy: 1.0403546929094136
Energy: 1.0394040139469365
Energy: 1.0080582436481806
Energy: 1.0174323284103959
Energy: 1.0028113654085797
Energy: 1.0123127974761426
Energy: 1.0398287590815918
Energy: 1.0045945388276767
Energy: 1.0238183265443124
Energy: 1.000298712594591
Energy: 1.019793738643284
Energy: 1.033410566996799
Energy: 1.0040412838417199
Energy: 1.0231421672639678
Energy: 1.0002772919414122
Energy: 0.985065829094111
Energy: 0.9901932648057562
Energy: 1.0204480870204797
Energy: 1.0557979069544048
Energy: 0.9861692555421101
Energy: 1.0215378256487464
Energy: 1.0087127896634498
Energy: 1.0489816278445152
Energy: 1.0554219013929746
Energy: 1.097097568982931
Energy: 1.0559057202508508
Energy: 1.010567521497631
Energy: 1.0152085514265947
Energy: 1.027118725436386
Energy: 1.0394433775362728
Energy: 1.057799244552633
Energy: 1.0078510485759582
Energy: 1.0150857355992566
Energy: 1.0271436765539956
Energy: 0.9858617065444695
Energy: 1.0382067524189942
Energy: 1.038985985039096
Energy: 1.0053732449209916
Energy: 1.0528802885226332
Energy: 1.0020627358422327
Energy: 1.0409392403637299
Energy: 1.0408451093862083
Energy: 1.0209288489008188
Energy: 1.052437264118686
Energy: 1.0763455086249134
Energy: 1.012012680504116
Energy: 1.0059173024966457
Energy: 1.011946856966804
Energy: 1.1193303311310492
Energy: 0.9812027613543625
Energy: 1.0105417346308552
Energy: 1.008031174873567
Energy: 1.012366890492231
Energy: 1.1209171706058572
Energy: 0.9821684270861666
Energy: 1.0156422638793328
Energy: 1.0795629419971058
Energy: 1.060105230624457
Energy: 1.0097968614424269
Energy: 1.0513096986169772
Energy: 1.0607960299590398
Energy: 1.0767895815467121
Energy: 1.0601481996643063
Energy: 1.0119605425484082
Energy: 1.0528635538076845
Energy: 1.0121919037297715
Energy: 0.9877912841444112
Energy: 1.0381730829281295
Energy: 1.0109551241913428
Energy: 1.0519882664601485
Energy: 1.0118179913495988
Energy: 0.9872852185068824
Energy: 1.036583039842566
Energy: 1.012815782779413
Energy: 1.0518995365870623
Energy: 1.0137371632216805
Energy: 1.0139276485021382
Energy: 1.011994333011066
Energy: 1.0431837547485763
Energy: 1.0375554413614412
Energy: 1.0381553503220575
Energy: 1.012316178777095
Energy: 1.0120846994291783
Energy: 1.0449485138899965
Energy: 1.0244818500432062

minimum gb energy = 0.9688618790908216 eV
minimum distance =  2.52829821084916 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.9731888483457886
Energy: 0.9885175818759495
Energy: 0.9744057085177821
Energy: 1.018800799681151
Energy: 0.9686815001580983
Energy: 0.9722265730521429
Energy: 0.9894416078965208
Energy: 0.9724499864769671
Energy: 1.0198786365238968
Energy: 0.968701133593558
Energy: 0.9875688029279459
Energy: 0.9888198371673061
Energy: 0.9791503626835417
Energy: 0.9943469535657917
Energy: 1.0142023897780148
Energy: 0.9744267815775419
Energy: 0.9886551335873336
Energy: 0.9781302678990901
Energy: 0.9960071101533083
Energy: 1.0152702610094329
Energy: 0.9943916683115608
Energy: 1.0010149534820025
Energy: 0.9882450527104677
Energy: 0.969490548364776
Energy: 0.9801692106491826
Energy: 0.9942880694504593
Energy: 0.9967448865057102
Energy: 0.9908915607267095
Energy: 0.9727299325876758
Energy: 0.9920120919859625
Energy: 1.001636592488624
Energy: 0.9520399087313075
Energy: 0.9711438114222768
Energy: 0.9931237238457246
Energy: 0.9885921108742844
Energy: 1.0031899892944123
Energy: 0.959113816246513
Energy: 0.9694886940676686
Energy: 0.9944697371789739
Energy: 0.9738849785277836
Energy: 1.0179532954531045
Energy: 0.9698384475560242
Energy: 0.9709807550412844
Energy: 0.9733335859638101
Energy: 0.9932059329452294
Energy: 1.0131655223581648
Energy: 0.9693652750413605
Energy: 0.9692519683123584
Energy: 0.9783523647835931
Energy: 0.9924096180595348
Energy: 0.9943264912495839
Energy: 0.9762393881013485
Energy: 0.9987801595029051
Energy: 0.9836445444097306
Energy: 0.9765585482825426
Energy: 0.9971636362347894
Energy: 0.9712940648340399
Energy: 1.0192506406838153
Energy: 0.9858811376482403
Energy: 0.9759421455227941
Energy: 0.995802376462095
Energy: 0.9652557999074468
Energy: 0.9927012415358204
Energy: 0.9879288896025034
Energy: 0.975480668277725
Energy: 0.9933280207286874
Energy: 0.9638160436920795
Energy: 0.9919315243235133
Energy: 0.9895033610822662
Energy: 0.9800485344045354
Energy: 1.0153719577749463
Energy: 0.9848976986594694
Energy: 0.9913850878543287
Energy: 0.9717040008753179
Energy: 0.9713617970847189
Energy: 1.0182733021372354
Energy: 0.9835972709877046
Energy: 0.9965263131652444
Energy: 0.9731786438761921
Energy: 0.9693010566459362
Energy: 0.9920574107284754
Energy: 0.9793552990250182
Energy: 0.9922804640567816
Energy: 0.9685304212091205
Energy: 0.9859272164667648
Energy: 0.992399245279107
Energy: 0.9933738521602429
Energy: 0.9918198025872336
Energy: 0.9674867214629755
Energy: 0.9896907027188765
Energy: 0.985604224560241
Energy: 0.9908865461055409
Energy: 0.9917762394519497
Energy: 1.0284835339125002
Energy: 1.0200624841781896
Energy: 0.9853120253559494
Energy: 0.9924557752344771
Energy: 1.0321387542574874
Energy: 1.0214719061473077
Energy: 1.0044854973668371
Energy: 0.949690072812111
Energy: 1.0159303914025897
Energy: 1.0214619447038864
Energy: 1.0236662822770508
Energy: 0.9879810353007414
Energy: 0.9504833155355319
Energy: 1.0148456751332144
Energy: 0.9782826107390735
Energy: 1.0259180534297325
Energy: 0.9874117758535104
Energy: 0.9737781857327246
Energy: 0.9889412916592295
Energy: 0.9704551030553398
Energy: 1.0177894796867264
Energy: 0.9686524350284498
Energy: 0.9726886793632533
Energy: 1.016302252852084
Energy: 0.96984392183531
Energy: 1.0183333077390522
Energy: 0.9686720564967324
Energy: 0.9886929248353598
Energy: 0.9892192945373378
Energy: 0.9789412505813305
Energy: 0.9953686321730681
Energy: 1.0146386902381557
Energy: 0.9842696224854003
Energy: 0.987305683749179
Energy: 0.9783770030130313
Energy: 0.9954881029329007
Energy: 1.020176750597078
Energy: 0.9944871072217473
Energy: 0.9968066641766862
Energy: 0.9902299215201171
Energy: 0.969536673599223
Energy: 0.9785841826597957
Energy: 0.9946201777880685
Energy: 0.9967808823826962
Energy: 0.9909396278885588
Energy: 0.9740503756695367
Energy: 0.9905331088382615
Energy: 0.9978371531328205
Energy: 0.9524055332196273
Energy: 0.9703749353836121
Energy: 0.993566915045131
Energy: 0.988255363899563
Energy: 0.9904074697069295
Energy: 0.9579303278279918
Energy: 0.9692041329040517
Energy: 0.9940019238678762
Energy: 0.9897938685417117
Energy: 1.0195206144934463
Energy: 0.9706041282975575
Energy: 0.971870717481042
Energy: 0.9715935050260224
Energy: 0.9934596682009601
Energy: 1.0143190447229904
Energy: 0.9692636318252362
Energy: 0.9689337175926329
Energy: 0.9840481489935312
Energy: 0.9918896336577274
Energy: 0.9948515564110072
Energy: 0.9732140308092436
Energy: 0.9925641670630787
Energy: 0.982579606404942
Energy: 0.9771341989863809
Energy: 0.9957995605063232
Energy: 0.972391487641918
Energy: 1.0185069946586587
Energy: 0.9845704316478976
Energy: 0.9764992485908692
Energy: 1.0245538043750642
Energy: 0.9653360695843395
Energy: 0.992403021417454
Energy: 0.989850805621941
Energy: 0.9756383315056619
Energy: 1.0267289086952698
Energy: 0.9634186877714312
Energy: 0.991075056414733
Energy: 0.9895543448733377
Energy: 0.9775603511955345
Energy: 1.0164835852626155
Energy: 0.9871397815119847
Energy: 0.9969511977409488
Energy: 0.9713565047673547
Energy: 0.9710248222374829
Energy: 1.0198961566705051
Energy: 0.9837845331490194
Energy: 0.9984522482905218
Energy: 0.9725480603523645
Energy: 0.9690169827753594
Energy: 0.9900448204390019
Energy: 0.9788629153079722
Energy: 0.9924128028317534
Energy: 0.9666735191678352
Energy: 0.9848705266933491
Energy: 0.9902527622101758
Energy: 0.9931107644514556
Energy: 0.9917062630879574
Energy: 0.9641446265011613
Energy: 0.9913046898381681
Energy: 0.9859209806748881
Energy: 0.9911958221603322
Energy: 0.9865655420491691
Energy: 1.0220185591364026
Energy: 1.0197969524132844
Energy: 0.9855138792860658
Energy: 0.9899790635762682
Energy: 1.0132984302917225
Energy: 1.020918355909693
Energy: 0.9914886216368253
Energy: 0.9513624616685439
Energy: 1.014431032468211
Energy: 1.0219551165386156
Energy: 0.9908924541814396
Energy: 0.9851056557186153
Energy: 0.9518871473876617
Energy: 1.0141423845426958
Energy: 0.978917500383373
Energy: 0.9914414235629337
Energy: 0.9934613420470845

minimum gb energy = 0.949690072812111 eV
minimum distance =  2.54460954221894 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.5372031302424611
Energy: 1.1135602189078904
Energy: 1.0668824810937172
Energy: 1.0512314070369781
Energy: 1.059342030764672
Energy: 1.0516519198079415
Energy: 1.1029197894688798
Energy: 1.057499543498685
Energy: 1.096952165297655
Energy: 1.078925642029733
Energy: 1.0062468687731942
Energy: 1.07996639811314
Energy: 1.038990600135412
Energy: 1.0551314482855814
Energy: 1.051281530923278
Energy: 0.9963823196790274
Energy: 1.07788063349314
Energy: 1.0433300080463153
Energy: 1.0927709563810584
Energy: 1.0389487551783516
Energy: 1.0865665590511613
Energy: 1.0754492588369868
Energy: 1.0803458800485377
Energy: 1.0307977802322128
Energy: 1.0527995207356953
Energy: 1.0858016984260874
Energy: 1.0556887042814806
Energy: 1.0901825384723662
Energy: 1.0120359240476
Energy: 1.1326372790570856
Energy: 1.017315672443996
Energy: 1.0102089088138866
Energy: 1.1504076866546626
Energy: 1.0929794996492432
Energy: 1.1356941043177227
Energy: 1.0234506755722095
Energy: 1.0105019273580702
Energy: 1.1472617110847856
Energy: 1.0908187270227216
Energy: 1.1354298281151782
Energy: 1.1402608696282301
Energy: 1.0571201522966112
Energy: 1.0327373010233507
Energy: 1.0716202545105604
Energy: 1.1052867582117394
Energy: 1.1335410552928589
Energy: 1.057524060478896
Energy: 1.01987021707995
Energy: 1.0755669776076322
Energy: 1.0419128128066935
Energy: 1.031417336180558
Energy: 1.0138145550444662
Energy: 1.0115327681432702
Energy: 1.073041035628223
Energy: 1.1870965076073994
Energy: 1.0295256162688375
Energy: 1.004873719941582
Energy: 1.0124533495226213
Energy: 1.0950132882880412
Energy: 1.18549522286058
Energy: 1.0107975992322464
Energy: 1.0121000439392427
Energy: 1.011086302644288
Energy: 1.0239063203265766
Energy: 1.06886300704697
Energy: 1.008773832912979
Energy: 1.006857333303261
Energy: 1.0124047482672038
Energy: 1.0036992084116216
Energy: 1.0336130747778418
Energy: 1.0230051615626632
Energy: 1.0053188975254044
Energy: 1.0054194851218652
Energy: 1.031429795836157
Energy: 1.0790879736947854
Energy: 1.0228849480541296
Energy: 1.003011246166586
Energy: 1.0190693416598933
Energy: 1.019883586211614
Energy: 1.082438766367856
Energy: 1.0206682758673558
Energy: 1.1744890910237114
Energy: 1.0708295832999208
Energy: 1.071626568674672
Energy: 1.0366919467548947
Energy: 1.0215543307114752
Energy: 1.1725359649261626
Energy: 1.0704902771956948
Energy: 1.1227922700972925
Energy: 1.0371331568121769
Energy: 1.07572295479155
Energy: 1.0129792728717468
Energy: 1.0120064274437721
Energy: 1.0033252919258324
Energy: 1.0431206690584602
Energy: 1.042810333481582
Energy: 1.0071736009700791
Energy: 1.000001569652384
Energy: 0.9981876878253952
Energy: 1.032310626512529
Energy: 1.0358734727080137
Energy: 1.0423782033326114
Energy: 1.0301520010588827
Energy: 1.0227979555872728
Energy: 1.0059509211777338
Energy: 1.0951788189953187
Energy: 1.0479187806254842
Energy: 1.0273868482014428
Energy: 1.0257078000149593
Energy: 1.018566371100758
Energy: 1.1686580415929546
Energy: 1.0560557347446204
Energy: 1.0343002737575677
Energy: 0.9948277907500096
Energy: 1.0847276590598829
Energy: 1.1354774993583308
Energy: 1.058833327607565
Energy: 1.0318969474707729
Energy: 0.9951454201629724
Energy: 1.0841751966371578
Energy: 1.08996119118843
Energy: 1.0889586003543097
Energy: 1.0714319300826685
Energy: 1.0349678057087115
Energy: 1.0653354171193705
Energy: 1.089518727412023
Energy: 1.084275811299
Energy: 1.070780675055348
Energy: 1.0358531082949924
Energy: 1.0852800581112085
Energy: 1.0679485946443406
Energy: 1.0839118809798596
Energy: 0.9945369682072328
Energy: 1.06365148670321
Energy: 1.0230591976551136
Energy: 1.0659108616763373
Energy: 1.0836560192310933
Energy: 0.981460449955337
Energy: 1.0690627740860177
Energy: 1.053752184102954
Energy: 1.0308098015177718
Energy: 1.0290479913775157
Energy: 1.1105985159026373
Energy: 1.080398309033685
Energy: 1.0624211096941156
Energy: 1.0227897494015044
Energy: 1.04048873951387
Energy: 1.1306655227566051
Energy: 1.0761591945405637
Energy: 1.0640164210394156
Energy: 1.1491877609771521
Energy: 1.1325114863832821
Energy: 1.0580804273110507
Energy: 1.0280518700141492
Energy: 1.0362858352602682
Energy: 1.1481874836202257
Energy: 1.1491417751206152
Energy: 1.0571507056220215
Energy: 1.0285599065502073
Energy: 1.0445556574157309
Energy: 1.02083926644837
Energy: 1.1240083022979412
Energy: 0.9981602786270055
Energy: 1.137020494609195
Energy: 1.0877159614977854
Energy: 1.0204665290829247
Energy: 1.1186439637753631
Energy: 1.1666703339240352
Energy: 1.1357974899533974
Energy: 1.14819442327556
Energy: 1.0110453063215943
Energy: 1.1664190581132112
Energy: 1.189931159980423
Energy: 1.0145657417036464
Energy: 1.0202212100158388
Energy: 1.0132454924994436
Energy: 1.1674664320303645
Energy: 1.1931188384346896
Energy: 1.0129764621721196
Energy: 1.0187437328703037
Energy: 1.0182294436383366
Energy: 1.0528170183063579
Energy: 1.0209707208501666
Energy: 1.0107310463427481
Energy: 1.0136629672570932
Energy: 1.0193834565414897
Energy: 1.11003481490169
Energy: 1.0189566745750305
Energy: 1.0147073326689475
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Energy: 1.1718187218262173
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Energy: 1.024664731900067
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Energy: 1.0439715162170036
Energy: 1.0196954379677288
Energy: 1.138678127695507
Energy: 1.0256554415370513
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Energy: 1.0765026522653098
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Energy: 1.1094084220834897
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Energy: 1.0176495373987802
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Energy: 1.188313635130395
Energy: 1.0202957539563347
Energy: 1.0193882645787873
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Energy: 1.0030588589618892
Energy: 1.0851347238890772
Energy: 1.0213166133870413
Energy: 1.018749242485631
Energy: 1.1032122299715015
Energy: 1.2839544735284563
Energy: 1.0162998638930558
Energy: 1.0220283774232066
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Energy: 1.0073846738509311
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Energy: 1.0287424891800159
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Energy: 1.0374205909487186
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Energy: 1.0049775643797192
Energy: 1.0180981955257438
Energy: 1.0232815337155527
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Energy: 1.0906297254972948
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Energy: 1.0924007594047656
Energy: 1.0126243176731373
Energy: 1.0432131681636965
Energy: 1.0390610659621735
Energy: 1.0362711626543164
Energy: 1.0213678184866222
Energy: 1.0341931252188743
Energy: 1.0397586526734024
Energy: 1.0396033669266873
Energy: 1.0334769230420116
Energy: 1.021294145641849
Energy: 1.0344858396838208
Energy: 1.0332738172505476
Energy: 1.0424885686604903
Energy: 1.0262343195026706
Energy: 1.0227611464185196
Energy: 1.030827837089734
Energy: 1.0711784835836453
Energy: 1.0522153629361006
Energy: 1.0236836731134806
Energy: 1.0232507102219213
Energy: 1.030155340143821
Energy: 1.1678270133538287
Energy: 1.0724838441453346
Energy: 1.0347332598501109
Energy: 0.9940783233945429
Energy: 1.1210043171806947
Energy: 1.1525769284323697
Energy: 1.0739434644208994
Energy: 1.0303016761392954
Energy: 0.9942752096988745
Energy: 1.1235413545732755
Energy: 1.0821768481947323
Energy: 1.0296321701554345
Energy: 0.9818986702515895
Energy: 1.0342433081411784
Energy: 1.0798116702981628
Energy: 1.080998362324351
Energy: 1.0264260057420298
Energy: 0.9820109290308929
Energy: 1.0354590768739782
Energy: 1.0806433279960466
Energy: 1.0703796200055224
Energy: 1.0814181849522841
Energy: 1.035784018205132
Energy: 1.0229350350043867
Energy: 1.0198041526232082
Energy: 1.066743409977144
Energy: 1.0820978595549076
Energy: 1.0338085389089258
Energy: 1.0203211628477253
Energy: 1.0191837172523297
Energy: 1.0848340882714742
Energy: 1.017703480509895
Energy: 1.1091109548523401
Energy: 1.0780183908949825
Energy: 1.0507526346995848
Energy: 1.0370565306963229
Energy: 1.0191816714146165
Energy: 1.1085793715170238
Energy: 1.0753524425465388
Energy: 1.055646246985287
Energy: 1.046390445750119
Energy: 1.1287351804992785
Energy: 1.0579824540611675
Energy: 1.1033337593720987
Energy: 1.0517725317662905
Energy: 1.1310048645174904
Energy: 1.1288253907284944
Energy: 1.128575621285905
Energy: 1.1178394544150578
Energy: 1.0092549706594218
Energy: 1.0204941652821975
Energy: 1.0868276695104613
Energy: 0.9965803205022155
Energy: 1.1450030093533101
Energy: 1.0895525319398107
Energy: 1.0142731640782172
Energy: 1.0685059771296477
Energy: 0.995349307299676
Energy: 1.1560958431008856
Energy: 1.4059022299247437
Energy: 1.0199903219722848
Energy: 1.180126573665199
Energy: 1.1730259548098687
Energy: 1.009043168157119
Energy: 1.014115448443244
Energy: 1.0302274219287662
Energy: 1.1846903281140735
Energy: 1.1710239975260628
Energy: 1.0136895318989578
Energy: 1.0130408026397526
Energy: 1.0102725642286852
Energy: 1.0048317385229166
Energy: 1.0103165289354297
Energy: 1.0090731279822234
Energy: 1.00897423844726
Energy: 1.0120330900331609
Energy: 1.0012571150176304
Energy: 1.0094142882261627
Energy: 1.0101922497627553
Energy: 1.0107352168052328
Energy: 1.0220026823899995
Energy: 1.0915719073289893
Energy: 1.0239032385089217
Energy: 1.0211296686636493
Energy: 1.0006063608409057
Energy: 1.0204836276352076
Energy: 1.0887553668301626
Energy: 1.0294713327356548
Energy: 1.0201913246117948
Energy: 1.0012984435653511
Energy: 1.0282748945431661
Energy: 1.018250369466381
Energy: 1.0258344083884239
Energy: 1.0180980842096776
Energy: 1.0405783678019145
Energy: 1.0446029783292143
Energy: 1.013854662510841
Energy: 1.0210336012135686
Energy: 1.0647064946075815
Energy: 1.0366637050157725
Energy: 1.0037946547231609
Energy: 1.0188317835906866
Energy: 1.0227721012412843
Energy: 1.171766032263549
Energy: 0.9991592866332082
Energy: 1.0096811664884944
Energy: 1.024322455320693
Energy: 1.0274434136818489
Energy: 1.1740012878982151
Energy: 0.9951099515325266
Energy: 1.006323815786502
Energy: 1.0124612198405396
Energy: 1.0156789883294137
Energy: 1.1012945730398649
Energy: 1.0096807621107131
Energy: 1.006282756468976
Energy: 1.0163969906718209
Energy: 1.0222226497453004
Energy: 1.0380624477020879
Energy: 1.0087772239993629
Energy: 1.0120290490921524
Energy: 1.0013854782194578
Energy: 1.139505100541473
Energy: 1.1446794440705803
Energy: 0.998983622398464
Energy: 1.011023570647848
Energy: 1.015053320277871
Energy: 1.1422807657780851
Energy: 1.091122827875042
Energy: 1.0121316154910402
Energy: 1.0810997779753808
Energy: 1.091407700013122
Energy: 1.106909879291156
Energy: 1.0464074312885794
Energy: 1.0258436657491135
Energy: 1.052320708741841
Energy: 1.1049468834521707
Energy: 1.1279157723249666
Energy: 1.0498250777529907
Energy: 1.0438348635219348

minimum gb energy = 0.981460449955337 eV
minimum distance =  2.52457350944092 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.3193188110505198
Energy: 1.059597316136047
Energy: 1.0128482404837138
Energy: 1.028422136794204
Energy: 1.026629131961803
Energy: 1.0603271801155074
Energy: 1.059125719737734
Energy: 1.0288552354521379
Energy: 1.0619658103675114
Energy: 0.9591278068548617
Energy: 0.9940448051931339
Energy: 1.006928087074137
Energy: 0.9498725375352604
Energy: 1.086060548277167
Energy: 1.0248113500115896
Energy: 0.9938813143033266
Energy: 1.002097735755064
Energy: 0.9503571264946916
Energy: 1.0461759105834976
Energy: 0.952189269370761
Energy: 1.0005186739460044
Energy: 1.0034986060267939
Energy: 1.0233817372444176
Energy: 0.9533787920253853
Energy: 0.9497277749329937
Energy: 0.9974731503815881
Energy: 1.0039176642453294
Energy: 1.044427195466959
Energy: 0.9453630930471905
Energy: 1.0389124909834786
Energy: 0.9528359198090897
Energy: 0.9495588427021423
Energy: 1.0560759322146605
Energy: 0.9928789483706906
Energy: 1.0345833199316121
Energy: 0.9536024607912829
Energy: 0.953832640025778
Energy: 1.0548197961820647
Energy: 0.993000031582333
Energy: 1.0345909624879408
Energy: 0.9928364331353645
Energy: 1.0393203534178248
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Energy: 1.0011234310048465
Energy: 0.9881669221495254
Energy: 1.0443132537765398
Energy: 0.9838630986016357
Energy: 0.9452430754342773
Energy: 1.003192299419894
Energy: 0.9547520756622485
Energy: 0.967002217772904
Energy: 0.9571934986240886
Energy: 0.9899754974609605
Energy: 1.0210378771665263
Energy: 0.9538393622485627
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Energy: 1.032366400992061
Energy: 0.9903732250936695
Energy: 1.2213711478452132
Energy: 0.997502836070352
Energy: 1.0100209122542922
Energy: 1.034830900109956
Energy: 0.9763304740896208
Energy: 1.009399855039332
Energy: 0.9961886696385155
Energy: 1.0133908109500418
Energy: 1.029760094773793
Energy: 0.957816623195334
Energy: 1.006825015056112
Energy: 1.0014991938862585
Energy: 0.9959664216399811
Energy: 0.9692462891500832
Energy: 0.9575915699051336
Energy: 1.0038529620113408
Energy: 1.0005232781244071
Energy: 1.0000729448356245
Energy: 0.9667643236171858
Energy: 1.0035473462906954
Energy: 1.0022048650668005
Energy: 0.9491417797391976
Energy: 1.0543977811557976
Energy: 1.0077817040858859
Energy: 1.0573214113752938
Energy: 0.9983175084964236
Energy: 0.9494571740202455
Energy: 1.0535445108082033
Energy: 1.0039573363418386
Energy: 1.0626123519842985
Energy: 0.9981645967659571
Energy: 1.0660238905415569
Energy: 0.9960410148289951
Energy: 0.9560792523333194
Energy: 0.9976537757711883
Energy: 1.011779631490046
Energy: 0.9936756989782801
Energy: 0.9959153963687228
Energy: 0.9555381562728462
Energy: 0.9976778680399234
Energy: 1.0073064878494273
Energy: 0.957182135690685
Energy: 0.9576497381909761
Energy: 0.9606647142850742
Energy: 1.0127096184979472
Energy: 0.9562615960665822
Energy: 0.9520879342068227
Energy: 0.9585964436583259
Energy: 0.9590661219814802
Energy: 1.0075297386126956
Energy: 0.9424592611241344
Energy: 0.9547935461369793
Energy: 0.9502433628208363
Energy: 0.9628584072816683
Energy: 1.0075874734076589
Energy: 0.9602966785927087
Energy: 0.9558207284698639
Energy: 0.9490338238201556
Energy: 0.9637983650750707
Energy: 1.0077238950327232
Energy: 0.9585235155535514
Energy: 0.9548020969136057
Energy: 0.9481455942971619
Energy: 0.9520586915814698
Energy: 1.0372768885179124
Energy: 0.9643635009896414
Energy: 0.9500463284479203
Energy: 0.9474266913356796
Energy: 1.0041253481987964
Energy: 0.9907099092990337
Energy: 0.9635177453216257
Energy: 1.1008895443336661
Energy: 1.009066537347198
Energy: 1.0032492536713082
Energy: 1.0016700076478073
Energy: 0.9417531597616529
Energy: 1.0982238715815713
Energy: 1.0072332622408318
Energy: 1.1146232625169092
Energy: 1.000534848219844
Energy: 0.9597720129458756

minimum gb energy = 0.9417531597616529 eV
minimum distance =  2.58115646029983 Angstroms
sigma value = 33