Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.62842905521393
cohesive_energy=4.196039813136094
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -2.38418579101562e-07 eV

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

Energy: 0.016092951263494092
Energy: 1.37350030930595
Energy: 0.01609295126380539
Energy: 1.37350030930595
Energy: 0.01609295126380539
Energy: 1.37350030930595
Energy: 1.3735003093062612
Energy: -0.1045851082662831
Energy: 1.37350030930595
Energy: -0.1045851082662831
Energy: 1.37350030930595
Energy: -0.1045851082662831
Energy: 0.016092951263494092
Energy: 1.37350030930595
Energy: 0.01609295126380539
Energy: 1.37350030930595
Energy: 0.01609295126380539
Energy: 1.3735003093056388
Energy: 1.37350030930595
Energy: -0.1045851082662831
Energy: 1.3735003093056388
Energy: 0.37127791533067916
Energy: 1.37350030930595
Energy: 0.619838146681281
Energy: 0.016092951263494092
Energy: 1.37350030930595
Energy: 0.01609295126380539
Energy: 1.37350030930595
Energy: 0.01609295126380539
Energy: 1.37350030930595
Energy: 1.37350030930595
Energy: -0.1045851082662831
Energy: 1.3735003093056388
Energy: 0.619838146680693
Energy: 1.3735003093056388
Energy: 1.0577209798938845

minimum gb energy = -0.1045851082662831 eV
minimum distance =  2.45596621743299 Angstroms
sigma value = 1


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

Energy: 1.0681483972091128
Energy: 0.8902693086341672
Energy: 1.0681483972076142
Energy: 0.8902693085854616
Energy: 1.0681483972083634
Energy: 0.8902693085494944
Energy: -2.4981593201947834
Energy: 0.7414732167510919
Energy: -3.6364410725199647
Energy: 0.7414732167458468
Energy: -3.28739647753026
Energy: 0.7414732167443481
Energy: 1.0208286812719498
Energy: 0.9739455489345381
Energy: 1.0208286812689524
Energy: -3.2483220542760995
Energy: 1.020828681272699
Energy: -3.9986013699625937
Energy: 1.1024131518594396
Energy: 0.8795621495925485
Energy: 1.102413151860189
Energy: 0.8795621495917991
Energy: 1.1024131518594396
Energy: 0.8795621495903007
Energy: 0.9442228625276297
Energy: 1.0697655055043507
Energy: 0.944222862528379
Energy: -4.269156295619743
Energy: 0.9442228625238831
Energy: -5.222457423968569
Energy: 1.0525519778370376
Energy: 0.860191126241939
Energy: 1.052551977833291
Energy: 0.8601911262389417
Energy: 1.052551977831043
Energy: 0.860191126241939
Energy: -3.491445442947979
Energy: 1.0397152600349735
Energy: -3.814877004678354
Energy: -1.0360101390828544
Energy: -3.6416397382695864
Energy: -1.0385164679752388
Energy: 0.8606639290283707
Energy: -2.1985164727200854
Energy: 0.8606635991881771
Energy: -1.7053339945788957
Energy: 0.8606621651961751
Energy: -1.672146343286021
Energy: 1.1019483419266622
Energy: 1.0418355619133344
Energy: 1.1019483419274116
Energy: 1.041835561912585
Energy: 1.1019483419221665
Energy: 1.0418355619118356
Energy: 0.7305087278320795
Energy: -1.0188636247074843
Energy: 0.7305087114750591
Energy: -1.070943550825892
Energy: 0.730508600178424
Energy: -1.1166267939199215
Energy: -3.8368444137792768
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Energy: -3.209913888183446
Energy: 0.8544533002374656
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Energy: 0.8544533002389642
Energy: 0.6970086831467246
Energy: -4.178883667717208
Energy: 0.6970086831497219
Energy: -3.969686879077324
Energy: 0.6970086831497219
Energy: -3.9190211800880546
Energy: 1.179539492147316
Energy: 0.6725162502749032
Energy: 1.179539492150313
Energy: 0.6725162502741538
Energy: 1.1795394921533102
Energy: 0.6725162502749032
Energy: 0.8766307058932523
Energy: 0.9704692607251226
Energy: 0.8766307058917536
Energy: 0.9704689804907973
Energy: 0.8766307058932523
Energy: 0.9704686212619584
Energy: 1.204497628969191
Energy: 0.7692047146305796
Energy: -5.010732878864873
Energy: 0.7692047146350754
Energy: -5.517920485117524
Energy: 0.7692047146350754
Energy: 1.2253669967496035
Energy: 1.01093840998102
Energy: 1.2253669967496035
Energy: 1.0109384094911715
Energy: 1.2253669967526006
Energy: 1.0109384089099749
Energy: 1.0191003063520214
Energy: 0.9746404611947624
Energy: -2.8283496694999926
Energy: 0.9746404611955117
Energy: -0.7463429129537801
Energy: 0.9746404611977597
Energy: -0.7707000621744987
Energy: 0.8898418643652575
Energy: -0.7675841464428924
Energy: 0.889841864162261
Energy: -0.7782460413093305
Energy: 0.8898418639623299
Energy: 0.835523735493408
Energy: -2.9848421716327267
Energy: 0.835523735493408
Energy: -3.595674506069837
Energy: 0.8355237354919094
Energy: -3.6242739205503773
Energy: -3.170454361027861
Energy: 0.8594440451701453
Energy: -5.529085776548172
Energy: 0.8594440451544098
Energy: -4.778327214400608
Energy: 0.8594440451416714
Energy: 0.770120364828004
Energy: 1.3517835526277444
Energy: 0.7701203648257561
Energy: 1.3517835524996797
Energy: 0.7701203648302519
Energy: 1.3517835523116695
Energy: -2.8584132647240557
Energy: 1.0411011541276893
Energy: -2.170370812730725
Energy: 1.041101154129188
Energy: -2.4823827162975904
Energy: 1.0411011541306867
Energy: 0.6508540678762621
Energy: 1.3191603929743405
Energy: 0.6508540678747634
Energy: 1.31916039297509
Energy: 0.6508540678755128
Energy: 1.319160392975839

minimum gb energy = -5.529085776548172 eV
minimum distance =  2.3432991998686 Angstroms
sigma value = 33


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

Energy: 1.2290277114555517
Energy: 1.0946432433638513
Energy: 1.176694439149553
Energy: 1.0946432433416884
Energy: 1.2290272692555038
Energy: 1.0946432433075919
Energy: 1.29111858442003
Energy: 0.926893492093279
Energy: 1.2911185708790074
Energy: 0.9268934920928528
Energy: 1.2911185407496903
Energy: 0.9268934920954102
Energy: 0.8343916634537333
Energy: -3.6216294895439676
Energy: 0.8343915195645234
Energy: -3.2073262817423602
Energy: 0.8343911225702109
Energy: -2.5040268614271683
Energy: 1.1391888939868784
Energy: 1.132177319382919
Energy: 1.1391888939855996
Energy: 1.13217731938505
Energy: 1.1391888939813377
Energy: 1.132177319379548
Energy: 1.0139453940166614
Energy: 0.9834835956883629
Energy: 1.013945394020071
Energy: 0.9834796586287881
Energy: 1.0139453940209233
Energy: 0.983467400489657
Energy: 0.8667679896707869
Energy: -2.9281914000247906
Energy: 0.8667570027344188
Energy: -2.9279436468653603
Energy: 0.8667203477838851
Energy: -2.9275249377465475
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Energy: 1.1217687402027727
Energy: 1.2129621552858945
Energy: 1.1217687402044778
Energy: 1.2129621552812062
Energy: 1.1217687402044778
Energy: 0.6866191385164648
Energy: 1.2216381138540013
Energy: 0.6866191385156512
Energy: -2.1585957451161386
Energy: 0.686619138515225
Energy: -1.7091548267847068
Energy: -3.707008320087808
Energy: 0.8375193593443617
Energy: -3.0580518162055053
Energy: 0.837519359345214
Energy: -3.9558441440876555
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Energy: 0.8396469101152277
Energy: 0.8414320684055591
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Energy: 0.9248013896397593
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Energy: 0.9248003449534486
Energy: -1.798626970377193
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Energy: 0.8343612046946303
Energy: 0.9231869469046732
Energy: 0.8340358996762455
Energy: 0.9231862722801907
Energy: -2.0144797085567148
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Energy: 1.191845104001911
Energy: 1.1351683419089267
Energy: 1.1918451040070255
Energy: 1.135168341907222
Energy: 1.1918451040014846
Energy: 1.1351683419067957
Energy: -2.4205970752881614
Energy: -3.428182038052628
Energy: -1.9526356932549298
Energy: -3.252726074973814
Energy: -1.663518330854627
Energy: -3.441049389915843
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Energy: 0.897319950581363
Energy: 0.876941078398811
Energy: -1.9816349797864135
Energy: 0.87694107839668
Energy: -1.8805743593041235
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Energy: 1.1173035955899715
Energy: 1.1244025747992958
Energy: 1.117303595590824
Energy: 1.124402574806115
Energy: 1.1173035955921025
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Energy: 0.6875348910954039
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Energy: -2.672112172226118
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Energy: -1.5548353828127632
Energy: 0.8375696129474275
Energy: -0.9776621423024048
Energy: 0.8375696129440179
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Energy: 0.777882740767198
Energy: -2.165864117528969
Energy: 0.7778830653088658
Energy: -2.1743320638338997
Energy: 1.1124828967852458
Energy: 1.0104100421243476
Energy: 1.1124826554271388
Energy: 1.0104100421239213
Energy: 1.1124809641637134
Energy: 1.0104100421136921
Energy: 0.8344101991440719
Energy: -2.5811034039983403
Energy: 0.8344018613402991
Energy: -2.597484942401677
Energy: 0.8344101392547274
Energy: -2.0569184703695713
Energy: 1.2267644315885438
Energy: 1.1052220739230467
Energy: 1.1731093823708991
Energy: 1.1052206941519171
Energy: -2.3410617878516775
Energy: 1.105219319346462
Energy: 1.2317682069915887
Energy: 1.1423614528398274
Energy: 1.1730350542499661
Energy: -3.189454971734835
Energy: 1.2317682069928675
Energy: -2.7335367988038617
Energy: 0.8340063593569772
Energy: 0.9386699529209427
Energy: 0.8340059457427915
Energy: 0.9386699527189976
Energy: 0.834004468023939
Energy: 0.9386699524289046
Energy: 1.1922205312162018
Energy: 0.9261707257292715
Energy: 1.1922205312076777
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Energy: 1.192220531181679
Energy: 0.9261707257305501
Energy: 0.7777490122822138
Energy: 1.1809317376629762
Energy: 0.7777490122788042
Energy: 1.1809317376531734
Energy: 0.7777490122822138
Energy: 1.1809317376395345
Energy: -3.0475936394010574
Energy: -4.057602631579013
Energy: -1.5362238067258547
Energy: -3.646271423700648
Energy: -2.020646184479498
Energy: -3.947066181760927
Energy: 0.7505542276449841
Energy: 1.1897935060429592
Energy: 0.7505542276518035
Energy: -2.876811294870559
Energy: 0.7505542276458365
Energy: -2.5199046013311746
Energy: 1.099092753306568
Energy: 1.1173063290470868
Energy: 1.099092753259259
Energy: 1.1173063290483656
Energy: 1.0990927531242285
Energy: 1.1173063290543324
Energy: 0.9290717173948583
Energy: -2.0441979850181458
Energy: 0.9290717173871865
Energy: -1.8254946645858532
Energy: 0.9290717173940058
Energy: -1.181143479115845
Energy: -2.1984550146168638
Energy: 0.8344554283546258
Energy: -3.5465868975150405
Energy: 0.8344513718725561
Energy: -2.32996025023917
Energy: 0.8344451793994432
Energy: 1.1325560348766774
Energy: 1.1953874182684183
Energy: 1.1325560348728414
Energy: 1.195387418271828
Energy: 1.1325560348775299
Energy: 1.1953874182722544
Energy: 0.8347295028274536
Energy: -2.334164518992105
Energy: 0.8347601823994131
Energy: -1.891548851560923
Energy: -3.4278965977068254
Energy: -1.8340803214699921
Energy: 0.9518785659400554
Energy: 0.8715800215767737
Energy: 0.9519705636402128
Energy: 0.8715800215754951
Energy: 0.951878829841361
Energy: 0.8715800215831667
Energy: 1.2236631872012995
Energy: -2.173035851614327
Energy: 1.2236635716587365
Energy: -1.5536748206685478
Energy: 1.2236631872025783
Energy: -2.453013388164206
Energy: -1.7814241176603964
Energy: -2.3506442728541725
Energy: -1.3310756821831575
Energy: -2.519759731155674
Energy: -1.330669008170966
Energy: -2.379737810215263
Energy: 0.8397314917211617
Energy: 0.7789069042525157
Energy: 0.8397314917245714
Energy: 0.7789069042533681
Energy: 0.8397314917207356
Energy: 0.778906904259335

minimum gb energy = -4.057602631579013 eV
minimum distance =  2.36307775120335 Angstroms
sigma value = 51


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

Energy: 1.025548566629893
Energy: 1.0173291285344501
Energy: 1.0255485666289055
Energy: 1.0173291285344501
Energy: 1.0255485666318682
Energy: 1.0173291285354378
Energy: -1.41947430716927
Energy: 0.8618132119538485
Energy: -1.4691808463795362
Energy: 0.8618132119538485
Energy: -1.5381855390527932
Energy: 0.861813211952861
Energy: 0.9483986114941072
Energy: 1.1539927942254593
Energy: 0.9483986114171257
Energy: 1.1539927942264467
Energy: 0.9483986111674182
Energy: 1.1539927942274344
Energy: 0.9525333691498707
Energy: 0.7482666071667884
Energy: -1.6903492788240553
Energy: 0.7482666071667884
Energy: -1.7156114109022895
Energy: 0.7482666071667884
Energy: 1.003132868582303
Energy: 0.9812991764675527
Energy: 1.003132868582303
Energy: 0.981298850902021
Energy: 1.0031328685813155
Energy: 0.9812982564559376
Energy: 1.0151928216945532
Energy: 0.9811507743008631
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Energy: 0.9811505147778541
Energy: 1.0151928216945532
Energy: 0.9811499609629367
Energy: 1.0494535339694728
Energy: 0.9812800867944081
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Energy: 0.9812800544715018
Energy: 1.0494535339704605
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Energy: 0.8449288237697922
Energy: -0.7167240994511513
Energy: 0.8449288200643097
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Energy: 0.8449288035603224
Energy: -2.0328703608376086
Energy: 1.1188079079790438
Energy: 0.7471439585700224
Energy: -1.74259500930391
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Energy: -1.7258015673902019
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Energy: 1.1728565659803916
Energy: 0.7913321246373598
Energy: 1.172856565979404
Energy: 0.7913321246373598
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Energy: 0.7240085560229117
Energy: -1.170859305996447
Energy: 0.7240085560238992
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Energy: 1.0251799591476995
Energy: 1.090416903360392
Energy: 1.025179959148687
Energy: 1.090416903360392
Energy: 1.0251799591476995
Energy: 1.0904169033564421
Energy: 1.2218382253998628
Energy: 0.8600898089564941
Energy: 1.2218360398701014
Energy: 0.860089808954519
Energy: 1.2218292365976549
Energy: 0.8600898089574817
Energy: 0.948311528395276
Energy: -1.1709251915466725
Energy: 0.948311524027438
Energy: -0.9595519321273249
Energy: 0.9483115101333267
Energy: -0.9596277082523613
Energy: 0.9736191994153247
Energy: 0.9988065359864174
Energy: 0.9736191993422932
Energy: 0.9988065268756645
Energy: 0.9736191990540277
Energy: 0.9988065084834079
Energy: 1.0144566750495951
Energy: 0.9811089993951869
Energy: 1.0144566750298447
Energy: 0.9811088212213668
Energy: 1.0144566749725688
Energy: 0.9811084676316403
Energy: 1.0021184803660488
Energy: 1.1134607550291051
Energy: 1.0021184803482734
Energy: 1.1134600549615334
Energy: 1.0021184802801797
Energy: 1.1134587448737743
Energy: 1.0121652203364528
Energy: 0.9832827059216768
Energy: 1.012165220338428
Energy: 0.9832827059226641
Energy: 1.0121652203354652
Energy: 0.9832827059206891

minimum gb energy = -2.0328703608376086 eV
minimum distance =  2.34337082902927 Angstroms
sigma value = 19


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

Energy: 0.8008034738479906
Energy: 0.7382154241823873
Energy: 0.8008034738479906
Energy: 0.7382154241818015
Energy: 0.8008034738485762
Energy: 0.7382154241823873
Energy: 1.21681426024575
Energy: 1.0590386878204945
Energy: 1.2168142598294558
Energy: 1.0590386878210805
Energy: 1.2168142583668486
Energy: 1.0590386878210805
Energy: 0.6996343277231281
Energy: 1.0581908486355376
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Energy: 0.6996343277237137
Energy: 1.0581908486074474
Energy: 0.8350070071295731
Energy: 0.704325141318242
Energy: 0.8350070071301587
Energy: 0.704325141318242
Energy: 0.8350070071284014
Energy: 0.704325141318242
Energy: 0.7628458854924886
Energy: 0.7964859063596383
Energy: 0.7628458854924886
Energy: 0.796485906360224
Energy: 0.7628458854930743
Energy: 0.796485906360224
Energy: 0.7628303143160277
Energy: 0.7965780088081897
Energy: 0.7628303143177848
Energy: 0.7965780088081897
Energy: 0.7628303143171992
Energy: 0.7965780088087754
Energy: 0.8327543700935442
Energy: 0.7043568223634646
Energy: 0.8327543700935442
Energy: 0.7043568223634646
Energy: 0.8327543700929586
Energy: 0.7043568223634646
Energy: 0.6996452755213031
Energy: 1.0577815542523263
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Energy: 1.0577815541926048
Energy: 0.6996452755213031
Energy: 1.0577815541047664
Energy: 1.2168087564497856
Energy: 1.0594619706338948
Energy: 1.2168087562120706
Energy: 1.0594619706333088
Energy: 1.2168087550117803
Energy: 1.0594619706344806
Energy: 0.8008034738479906
Energy: 0.7382154241823873
Energy: 0.8008034738485762
Energy: 0.7382154241818015
Energy: 0.8008034738485762
Energy: 0.7382154241823873
Energy: 1.2168142602422354
Energy: 1.059038687821666
Energy: 1.2168142597714915
Energy: 1.0590386878204945
Energy: 1.2168142584160264
Energy: 1.059038687821666
Energy: 0.6996343277231281
Energy: 1.058190848634366
Energy: 0.6996343277231281
Energy: 1.0581908486226508
Energy: 0.6996343277231281
Energy: 1.0581908486027611
Energy: 0.8350070071301587
Energy: 0.704325141318242
Energy: 0.8350070071301587
Energy: 0.7043251413188277
Energy: 0.8350070071307446
Energy: 0.704325141318242
Energy: 0.7628458854936601
Energy: 0.7964859063596383
Energy: 0.7628458854936601
Energy: 0.7964859063590524
Energy: 0.7628458854936601
Energy: 0.7964859063596383
Energy: 0.7628303143166134
Energy: 0.7965780088081897
Energy: 0.7628303143177848
Energy: 0.7965780088081897
Energy: 0.7628303143166134
Energy: 0.7965780088087754
Energy: 0.8327543700935442
Energy: 0.7043568223634646
Energy: 0.8327543700935442
Energy: 0.7043568223634646
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Energy: 0.6996452755218889
Energy: 1.0577815542517406
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Energy: 1.0577815541926048
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Energy: 1.0577815541071094
Energy: 1.2168087565136076
Energy: 1.0594619706338948
Energy: 1.2168087562267147
Energy: 1.0594619706333088
Energy: 1.2168087551212656
Energy: 1.0594619706344806
Energy: 0.8008034738479906
Energy: 0.7382154241818015
Energy: 0.8008034738479906
Energy: 0.7382154241818015
Energy: 0.8008034738485762
Energy: 0.7382154241818015
Energy: 1.2168142602439926
Energy: 1.059038687821666
Energy: 1.2168142598276985
Energy: 1.0590386878204945
Energy: 1.216814258454101
Energy: 1.059038687821666
Energy: 0.6996343277225422
Energy: 1.0581908486355376
Energy: 0.6996343277225422
Energy: 1.0581908486209202
Energy: 0.6996343277237137
Energy: 1.0581908486027611
Energy: 0.8350070071295731
Energy: 0.7043251413188277
Energy: 0.8350070071301587
Energy: 0.7043251413188277
Energy: 0.8350070071295731
Energy: 0.704325141318242
Energy: 0.7628458854919028
Energy: 0.796485906360224
Energy: 0.7628458854930743
Energy: 0.7964859063596383
Energy: 0.7628458854930743
Energy: 0.7964859063596383
Energy: 0.7628303143166134
Energy: 0.7965780088081897
Energy: 0.7628303143177848
Energy: 0.7965780088081897
Energy: 0.7628303143171992
Energy: 0.7965780088081897
Energy: 0.8327543700935442
Energy: 0.7043568223634646
Energy: 0.8327543700941301
Energy: 0.7043568223634646
Energy: 0.8327543700941301
Energy: 0.7043568223634646
Energy: 0.6996452755218889
Energy: 1.0577815542499833
Energy: 0.6996452755218889
Energy: 1.0577815541920192
Energy: 0.6996452755213031
Energy: 1.0577815541076951
Energy: 1.2168087564456853
Energy: 1.0594619706333088
Energy: 1.2168087562384302
Energy: 1.0594619706344806
Energy: 1.216808754956745
Energy: 1.0594619706333088
Energy: 0.8008034738485762
Energy: 0.7382154241823873
Energy: 0.8008034738485762
Energy: 0.7382154241818015
Energy: 0.8008034738485762
Energy: 0.7382154241818015
Energy: 1.2168142602439926
Energy: 1.059038687821666
Energy: 1.21681425978555
Energy: 1.0590386878204945
Energy: 1.2168142584921493
Energy: 1.0590386878199087
Energy: 0.6996343277231281
Energy: 1.0581908486337805
Energy: 0.6996343277231281
Energy: 1.0581908486232365
Energy: 0.6996343277231281
Energy: 1.0581908486015896

minimum gb energy = 0.6996343277225422 eV
minimum distance =  2.35581767291575 Angstroms
sigma value = 27


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

Energy: 0.7709343070500878
Energy: 0.719147967219367
Energy: 0.7709343070500878
Energy: 0.7191479672179322
Energy: 0.7709343070500878
Energy: 0.7191479672179322
Energy: -0.5748530300246273
Energy: -0.628514091337915
Energy: -0.566492404161143
Energy: -0.6241145085623687
Energy: -0.566379455559272
Energy: -0.6314550959126659
Energy: 0.6482552339123138
Energy: 0.8887736548062908
Energy: 0.6482552339108789
Energy: 0.8887736548019862
Energy: 0.6482552339123138
Energy: 0.8887736548005514
Energy: 1.0319656263464165
Energy: 0.7043515887678435
Energy: 1.0319608085903103
Energy: 0.7043515887678435
Energy: 1.0319405160528472
Energy: 0.7043515887678435
Energy: -0.7555412049383774
Energy: 0.6989957480313432
Energy: -0.742256509033816
Energy: 0.6989957480327781
Energy: -0.7567577650656495
Energy: 0.6989957480342129
Energy: 0.9365801958578696
Energy: 1.0348477657370585
Energy: 0.9365748320497312
Energy: 1.034846823166381
Energy: 0.9365629953529303
Energy: 1.0348453660399974
Energy: 0.6484405646541116
Energy: 0.754088982552575
Energy: 0.6484405646555463
Energy: 0.7540889825511401
Energy: 0.6484405646541116
Energy: 0.7540889825511401
Energy: 0.7629113564694718
Energy: 0.7202253184028035
Energy: 0.7629113564694718
Energy: 0.7202253184013685
Energy: 0.7629113564694718
Energy: 0.7202253184013685
Energy: -0.7973809088795393
Energy: 0.7187978602547554
Energy: -0.7178737256096498
Energy: 0.7187978622783885
Energy: -0.7070099712175644
Energy: 0.7187978892957279
Energy: 0.8141455821771407
Energy: 0.9636980117485752
Energy: 0.8141455821771407
Energy: 0.9636644250738307
Energy: 0.8141455821771407
Energy: -0.6062900580999824
Energy: 0.7065464360806888
Energy: 0.7006393983774089
Energy: 0.7065462391314643
Energy: 0.7006393983788437
Energy: 0.7065447372912578
Energy: 0.7006393983788437
Energy: 0.9737574821010206
Energy: 0.9135819560677474
Energy: 0.9737568766088462
Energy: 0.9135288187323458
Energy: 0.9737558947670821
Energy: 0.9134648608133915

minimum gb energy = -0.7973809088795393 eV
minimum distance =  2.33774798730329 Angstroms
sigma value = 9


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

Energy: 0.9044997179967089
Energy: 0.6877064370615296
Energy: 0.9044997179967089
Energy: 0.687706437059514
Energy: 0.904499717993887
Energy: 0.6877064370579012
Energy: -4.398872624232673
Energy: 0.7480555369009765
Energy: -4.267890732061263
Energy: 0.7480555368977513
Energy: -4.126542784697052
Energy: 0.748055536896945
Energy: 0.6308354561589633
Energy: -4.604465672953978
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Energy: -4.0495111540354145
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Energy: -4.2922321842942175
Energy: 0.6761532174615009
Energy: 0.6595022481441091
Energy: 0.6761532174623073
Energy: 0.6595022481465279
Energy: 0.6761532174631134
Energy: 0.6595022481449152
Energy: 0.6670303074595003
Energy: 0.6685893943300737
Energy: 0.6670303074599034
Energy: 0.6685893943385398
Energy: 0.6670303074607098
Energy: 0.6685893943490219
Energy: -3.9262706112997776
Energy: -3.9649436185769127
Energy: -4.132140628731126
Energy: -4.103056836166619
Energy: -3.923141186821753
Energy: -4.048944099753015
Energy: -3.9338459603831795
Energy: 0.7332639867351693
Energy: -4.288052735039007
Energy: 0.7332639829540742
Energy: -4.248592708221246
Energy: 0.7332639758589182
Energy: 0.6188212111443157
Energy: 0.7298511390888374
Energy: 0.6188212111443157
Energy: 0.7298511390940783
Energy: 0.6188212111435094
Energy: 0.7298511390876279
Energy: -4.1672929806498225
Energy: 0.6683357215773236
Energy: -4.526959503225759
Energy: 0.6683357215765173
Energy: -4.195975794889157
Energy: 0.6683357215781299
Energy: -3.814705658853263
Energy: 0.9798284443914415
Energy: -3.777879688337395
Energy: 0.9798279076386401
Energy: -3.588276621479851
Energy: 0.9798259213018922
Energy: -4.1377971584477615
Energy: 0.6571372141744781
Energy: -3.9397994129413947
Energy: 0.6571372141732686
Energy: -3.7374084567461465
Energy: 0.6571372141728654
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Energy: -3.731101498997661
Energy: 0.6366414616150646
Energy: -3.698275915767713
Energy: 0.6366414616178868
Energy: -3.7850981263360515
Energy: -3.471548053686598
Energy: 0.7636800462832695
Energy: -3.5147834940449014
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Energy: 0.9091593739954266
Energy: 0.7693304586372908
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Energy: -4.018799667035553
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Energy: -3.84172204571127
Energy: 0.6604116471378529
Energy: 0.669600871962634
Energy: 0.6604116471414815
Energy: 0.669600871962634
Energy: 0.6604116471342246
Energy: 0.669600871962634
Energy: 0.622067248586638
Energy: 1.0769507472403566
Energy: 0.622067248586638
Energy: 1.076950747244388
Energy: 0.622067248584219
Energy: 1.076950747239953
Energy: 1.0472185690994091
Energy: 0.6485395477217939
Energy: 1.0472185689168545
Energy: 0.6485391181076047
Energy: 1.0472185687363154
Energy: 0.6485385155911209
Energy: 0.6221680065768582
Energy: 1.0768700205673654
Energy: 0.6221680065748424
Energy: 1.0768700205625275
Energy: 0.6221680065772613
Energy: 1.0768700205540611
Energy: 0.6604244280554452
Energy: 0.6694852690669963
Energy: 0.6604244280566547
Energy: 0.6694852690673996
Energy: 0.6604244280614925
Energy: 0.6694852690669963
Energy: 0.8954503113911076
Energy: -3.2274084391139906
Energy: 0.895450308104864
Energy: -4.259575454165798
Energy: 0.8954502962082704
Energy: -4.087384165965927
Energy: -4.1400915846433435
Energy: -3.8549587789676285
Energy: -4.139150960097513
Energy: -4.067859599324764
Energy: -4.239121085392903
Energy: -4.120972031664837
Energy: 0.6498011554660866
Energy: 0.7008294654588284
Energy: 0.6498011554652803
Energy: 0.7008294651670925
Energy: 0.6498011554648772
Energy: 0.7008294649397878
Energy: 0.9091382322448429
Energy: 0.7689782535252312
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Energy: 0.7689782534369775
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Energy: -2.721780428966884
Energy: 0.763511397913483
Energy: -2.447523241153408
Energy: 0.7635093569572897
Energy: -2.313462228292302
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Energy: 1.0808818101546902
Energy: -3.8615438109803386
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Energy: 0.7297068962238983
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Energy: 0.7297068962126101
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Energy: 0.7297068961819704
Energy: -3.826969589074572
Energy: 0.7333185405041229
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Energy: 0.7333185472374313
Energy: -4.0739884405363345
Energy: 0.7333185454123595
Energy: -4.286591132521287
Energy: -1.9701939190367719
Energy: -4.424939976767409
Energy: -2.131142987119362
Energy: -4.080571838344658
Energy: -1.399666726799885
Energy: 0.6671187210291221
Energy: 0.6684260062538088
Energy: 0.6671187210303315
Energy: 0.6684260062449394
Energy: 0.667118721025897
Energy: 0.6684260062396984
Energy: 0.676224921416947
Energy: 0.6595978248696405
Energy: 0.6762249214181565
Energy: 0.6595978248692373
Energy: 0.676224921416947
Energy: 0.6595978248716563
Energy: 0.6301211582823687
Energy: -4.2967789133154035
Energy: 0.6301211582831749
Energy: -3.619791614457221
Energy: 0.6301211582851909
Energy: -4.414677846943335
Energy: -3.818894101529945
Energy: 0.7879529610508825
Energy: -4.067111768596937
Energy: -3.7340655360082984
Energy: -4.11096343707695
Energy: -3.7691159042423097
Energy: 0.904499717997112
Energy: 0.6877064370558855
Energy: 0.9044997179987246
Energy: 0.6877064370562886
Energy: 0.9044997179983215
Energy: 0.6877064370574981
Energy: -3.80678259974462
Energy: 0.7480555368997671
Energy: -3.423682496686095
Energy: 0.7480555368985576
Energy: -4.023587758715612
Energy: 0.7480555368981545
Energy: 0.6308354561577538
Energy: -3.6982259130170654
Energy: 0.6308354561561413
Energy: -4.153228373542509
Energy: 0.6308354561557381
Energy: -3.2108911497987394
Energy: 0.6761532174615009
Energy: 0.659502248146931
Energy: 0.6761532174631134
Energy: 0.6595022481465279
Energy: 0.6761532174635166
Energy: 0.6595022481465279
Energy: 0.6670303074619193
Energy: 0.6685893943304768
Energy: 0.6670303074607098
Energy: 0.6685893943296705
Energy: 0.6670303074631287
Energy: 0.6685893943345083

minimum gb energy = -4.604465672953978 eV
minimum distance =  2.3874008114695 Angstroms
sigma value = 57


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

Energy: 0.6448800435430281
Energy: 0.6176130128964641
Energy: 0.48858758263677826
Energy: 0.6176130128964641
Energy: 0.6448800435430281
Energy: 0.6176130128964641
Energy: 0.6568899989218615
Energy: -1.057778712156503
Energy: 0.6568899989347097
Energy: -1.0577559981494833
Energy: 0.6568899987943401
Energy: -1.0577768886999872
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Energy: -1.6079955037629408
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Energy: -1.6761265766997482
Energy: 0.6439624010395981
Energy: -1.2662844154632324
Energy: 0.6091824405134281
Energy: 0.49371391661042974
Energy: 0.6091824405097572
Energy: 0.49371391660951197
Energy: 0.6091824405143041
Energy: 0.49371391660951197
Energy: 0.5303312322622513
Energy: 0.6582476944489223
Energy: 0.5303312322622513
Energy: 0.6582476944580579
Energy: 0.5303312322613336
Energy: 0.658247694443416
Energy: 0.488788018433755
Energy: 0.6392903981914857
Energy: 0.4887880184346727
Energy: 0.639290398187815
Energy: 0.488788018433755
Energy: 0.6392903981868971
Energy: 0.4895122601977983
Energy: 0.5131904797118121
Energy: 0.4895122601968806
Energy: 0.5131904797108945
Energy: 0.48951226019596283
Energy: 0.5131904797136476
Energy: 0.6570280106887457
Energy: 0.5323396169467923
Energy: 0.6570280341829814
Energy: 0.5323396169467923
Energy: 0.6570280344866218
Energy: 0.5323396169477101
Energy: 0.6209908587906953
Energy: 0.49380555296300194
Energy: 0.620990858791613
Energy: 0.49380555296300194
Energy: 0.6209908587906953
Energy: 0.49380555296208417
Energy: 0.5126724956370121
Energy: 0.6914557758504203
Energy: 0.5126724956360944
Energy: -1.5385104050736134
Energy: 0.5126724956360944
Energy: -1.524859072572358
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Energy: 0.5916690873684729
Energy: 0.5304938327328591
Energy: 0.5916704173966508
Energy: 0.530493832730106
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Energy: 0.6176130128955464
Energy: 0.48858758263677826
Energy: 0.6176130128955464
Energy: 0.6448800435411925
Energy: 0.6176130128955464
Energy: 0.6568899989347097
Energy: -1.0577808710635275
Energy: 0.6568899989099313
Energy: -1.057757736065622
Energy: 0.6568899989246147
Energy: -1.0577810826986962
Energy: 0.6439624010386804
Energy: -1.2959985750539227
Energy: 0.6439624010395981
Energy: -1.4091264722639216
Energy: 0.6439624010386804
Energy: -1.496187665211584
Energy: 0.6091824405152217
Energy: 0.49371391661134745
Energy: 0.6091824405125105
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Energy: 0.6091824405152217
Energy: 0.49371391661042974
Energy: 0.5303312322659222
Energy: 0.6582476944562223
Energy: 0.5303312322659222
Energy: 0.6582476944452514
Energy: 0.5303312322640868
Energy: 0.6582476944571402
Energy: 0.48878801843191955
Energy: 0.6392903981933212
Energy: 0.48878801843283726
Energy: 0.6392903981924035
Energy: 0.48878801843191955
Energy: 0.6392903981914857
Energy: 0.4895122601950452
Energy: 0.5131904797099768
Energy: 0.48951226019596283
Energy: 0.5131904797081412
Energy: 0.4895122601950452
Energy: 0.5131904797118121
Energy: 0.6570280235357102
Energy: 0.5323396169467923
Energy: 0.6570280343159675
Energy: 0.5323396169458747
Energy: 0.6570280342737941
Energy: 0.5323396169467923

minimum gb energy = -1.6761265766997482 eV
minimum distance =  2.47509900758041 Angstroms
sigma value = 11


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

Energy: 0.6356672828068232
Energy: 0.7863919667460171
Energy: 0.6356672828041341
Energy: 0.786391966745345
Energy: 0.6356672828068232
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Energy: -2.4843632333046792
Energy: -2.4221139731808985
Energy: -2.1040365291504153
Energy: -3.014370236193558
Energy: -2.1059867495416977
Energy: -3.210703576658674
Energy: -2.7987343326354623
Energy: -3.004319197992572
Energy: -2.9176715298167157
Energy: -2.9949086960664233
Energy: -2.963138041619251
Energy: -2.9245605365145084
Energy: 0.7560623442338329
Energy: 0.485201274298535
Energy: 0.756062344234505
Energy: 0.48520126352587173
Energy: 0.756062344239883
Energy: 0.48520128791358785
Energy: 0.6989119172151069
Energy: -2.0815178441939426
Energy: 0.6989119169812866
Energy: -1.9567165408624012
Energy: 0.698911916253547
Energy: -2.014173631918148
Energy: -2.5370606129420517
Energy: 0.8368600554882247
Energy: -2.3199279022141517
Energy: 0.836859894337072
Energy: -2.473795617541111
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Energy: -1.807284015145821
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Energy: -3.0414636442308307
Energy: -2.0440531669810893
Energy: -3.2462833258615196
Energy: -1.707371617898813

minimum gb energy = -3.4490564325162647 eV
minimum distance =  2.34476335276953 Angstroms
sigma value = 41


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

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Energy: 0.9340404320772283
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Energy: -1.1243130647967987
Energy: -1.0727838804903003
Energy: 0.7499295709217475
Energy: -1.0962956375600306
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Energy: -1.0962315212215632
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Energy: -1.2214038856060738
Energy: -0.989309928639418
Energy: -1.219461068322668
Energy: -1.1678699591509327
Energy: -1.22749126475554

minimum gb energy = -2.8740181953298727 eV
minimum distance =  2.35821729387278 Angstroms
sigma value = 33


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

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Energy: 0.6321734534637559
Energy: 0.5037233806291443
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Energy: -3.537243870983662
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Energy: -3.2245927120739846
Energy: -2.3929024455964756
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Energy: 0.9426586025910884
Energy: 0.3919280773453241
Energy: 0.9426586025903448
Energy: 0.39192807734349866
Energy: 0.9426586025903448

minimum gb energy = -4.189709658577992 eV
minimum distance =  2.39998390222708 Angstroms
sigma value = 67


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

Energy: 0.621800179750527
Energy: 0.29457250756617764
Energy: 0.6218001797500188
Energy: 0.2945725074742535
Energy: 0.6218001797507813
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Energy: 0.29922779163894075
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Energy: 0.29922779170104247
Energy: 0.24890462770413646
Energy: 0.7214329764850377
Energy: 0.24890462771656247
Energy: 0.7214329764852636
Energy: 0.15244476480411265
Energy: 0.7214329764855179
Energy: 0.627436157060211
Energy: 0.29919952540617634
Energy: 0.627436157059985
Energy: 0.2991995254086615
Energy: 0.6274361570597309
Energy: 0.2991995253962355
Energy: 0.6218001797512613
Energy: 0.29457250743451857
Energy: 0.6218001797507813
Energy: 0.2945725070171744
Energy: 0.6218001797510072
Energy: 0.29457250749164987
Energy: 0.6272236738823254
Energy: 0.29922779161408875
Energy: 0.6272236738820712
Energy: 0.2992277916538236
Energy: 0.6272236738820712
Energy: 0.29922779163894075
Energy: 0.24890462768425486
Energy: 0.7214329764860262
Energy: 0.15244658886105145
Energy: 0.7214329764860262
Energy: -0.506307406705316
Energy: 0.7214329764862805

minimum gb energy = -0.506307406705316 eV
minimum distance =  2.40240421677013 Angstroms
sigma value = 3


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

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Energy: -2.4590114315032907
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Energy: -4.30259966773298
Energy: -3.593713052262087
Energy: -4.5375789914009275
Energy: -3.6470780447224214
Energy: -4.448930205634889
Energy: -3.602262462643023
Energy: -2.525768843737841
Energy: -3.998425938977942
Energy: -2.7390393557924533
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Energy: -2.5996987501630398
Energy: -4.646650793225212
Energy: -4.155087408115998
Energy: -3.615882459284529
Energy: -4.217170441701432
Energy: -3.6366396877435476
Energy: -3.981706658129324
Energy: -3.9432540157534697

minimum gb energy = -5.241771540250297 eV
minimum distance =  2.29901987417867 Angstroms
sigma value = 81


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

Energy: -1.4615930637581862
Energy: 0.513398824525589
Energy: -2.029767163995609
Energy: 0.5133954627183305
Energy: -1.4671688411349044
Energy: 0.5133909908904678
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Energy: -1.6156801090645423
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Energy: -2.3821765775357377
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Energy: -2.2561937122981472
Energy: -1.9643021402901788
Energy: -1.8839514682014629
Energy: -1.8066069475020794
Energy: -2.090581828862775
Energy: -1.8558976892208932
Energy: -1.862836397412058
Energy: -2.3056176497755456
Energy: -2.8099798809068965
Energy: -2.2687264520632318
Energy: -2.825829743030922
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Energy: -2.273235705388141
Energy: -1.3989727527613838
Energy: -2.2732702865055407
Energy: -1.4155176554614703
Energy: -2.273237271083959

minimum gb energy = -3.155420035043483 eV
minimum distance =  2.30033947723566 Angstroms
sigma value = 43


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

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Energy: -1.8184203976934428
Energy: -2.0954979724930447
Energy: -1.9770938118167307
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Energy: -1.4218802130363952
Energy: -2.308328680129555
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Energy: -2.259158131885434
Energy: 0.5215726555583768
Energy: -2.3459581163160013
Energy: 0.5215726555600873

minimum gb energy = -2.423948064858551 eV
minimum distance =  2.42500859306364 Angstroms
sigma value = 57


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

Energy: 0.36510054620847543
Energy: -1.2873575879894594
Energy: 0.3651005913140053
Energy: -1.4913181197274599
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Energy: -1.2160592059165656
Energy: -0.9197796105398796
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Energy: -0.7067911200429059
Energy: -0.9416379296583862
Energy: -0.7077753978024622
Energy: -0.84675741835263

minimum gb energy = -2.4507536069675826 eV
minimum distance =  2.40874052737261 Angstroms
sigma value = 17


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

Energy: -1.2248982720723525
Energy: -0.7543797041087531
Energy: -1.2235333910910244
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Energy: -1.357198496339855
Energy: -1.038904739049055
Energy: -1.3461684272386663
Energy: -1.0423741404185107

minimum gb energy = -1.974268004240606 eV
minimum distance =  2.3982643564493 Angstroms
sigma value = 17


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

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Energy: -1.7315456647508407
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Energy: -1.8784405702754643
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Energy: -1.6767064269682312
Energy: -1.7975838175052208
Energy: -1.4683152785781783
Energy: -1.397028225621705
Energy: -1.5484253759963738
Energy: -1.3516014380833972
Energy: -1.5816858222821655
Energy: -1.3640192281224062
Energy: -2.471128647515883
Energy: -1.5904778052796775
Energy: -2.539468335555251
Energy: -1.574129567525633
Energy: -1.825986393325978
Energy: -1.73112495104045
Energy: -1.8911613126202198
Energy: -1.8495198979113001
Energy: -1.6083325898328473
Energy: -1.947141765868576
Energy: -1.6308643913932135
Energy: -1.9482385355017122
Energy: -3.3915452003073034
Energy: -1.4727324915433595
Energy: -2.770950553226947
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Energy: -2.387356145699158
Energy: -1.6366072285975657
Energy: -2.140475521049991
Energy: -1.8255356861384064
Energy: -2.230942721527878
Energy: -1.5232769080720912
Energy: -2.5830678028013705
Energy: -1.4116842645614798
Energy: -1.906263614314637
Energy: -1.6424849260107783
Energy: -1.9634188905004053
Energy: -1.5965374492281434
Energy: -1.7064659444342434
Energy: -1.6010632329343042
Energy: -2.3613501334699456
Energy: -1.4449292853570186
Energy: -1.9456979313959515
Energy: -1.5027915726750976
Energy: -2.021168784112274
Energy: -1.5198693916185413
Energy: -1.5900452676442502
Energy: -1.5634091703844795
Energy: -2.0663983234831953
Energy: -1.537847970560852
Energy: -2.11459919141645
Energy: -2.894039227983529
Energy: -2.0403239877875077
Energy: -2.205247867293102
Energy: -1.8527231027611317
Energy: -1.516155463672833
Energy: -1.420002976149525
Energy: -1.6127107376298633
Energy: -1.5231000665748604
Energy: -1.6041220548905888
Energy: -1.5305245842852409
Energy: -1.6041697553654077
Energy: -1.6985797434145085
Energy: -1.6042535088026644
Energy: -1.9535756211520896
Energy: -1.691714143098506
Energy: -1.9688541321603896
Energy: -1.8106539063025127
Energy: -2.131974416432613
Energy: -1.6904479051539134
Energy: -1.87452328974953
Energy: -1.5942599353493765
Energy: -1.720311013499384
Energy: -1.6496489609137477
Energy: -1.7569742146667138
Energy: -1.893200188627975

minimum gb energy = -3.3915452003073034 eV
minimum distance =  2.34805328678643 Angstroms
sigma value = 57


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

Energy: -2.9402228705302464
Energy: -5.086624528834888
Energy: -3.1951968311293064
Energy: -4.925651838108002
Energy: -2.898748551695402
Energy: -2.868056479532872
Energy: -2.4444388911618566
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Energy: -2.2212761520779045
Energy: -1.509450824415126
Energy: -2.009350931667232
Energy: -1.9375959771855598
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Energy: -2.7546029754656254
Energy: -2.038052688384753
Energy: -1.9302913224502094
Energy: -2.388883856747312
Energy: -2.2891394082004126
Energy: -2.041494049977178
Energy: -2.458097166441616
Energy: -2.47008669137733
Energy: -2.4377910697067176
Energy: -2.0842012854059715
Energy: -2.2766204939432715
Energy: -2.049271062593037
Energy: -2.152069153020462
Energy: -1.8916796329853987
Energy: -2.113731080490892
Energy: -2.169193437967726
Energy: -2.56302775432485
Energy: -2.2038028734887067
Energy: -1.960422567135065
Energy: -2.32131876074006
Energy: -2.047958053528059
Energy: -2.1433893231886163
Energy: -2.4507917075783965
Energy: -2.4782449175569163
Energy: -2.427428271825619
Energy: -2.1332929973823163
Energy: -2.475404895160371
Energy: -1.9061856440732328
Energy: -2.1629696569471064
Energy: -2.060663796810726
Energy: -2.234766547027906
Energy: -2.0070980906439044
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Energy: -2.1930102869869774
Energy: -1.9679109126708296
Energy: -2.216986259571375
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Energy: -2.272534943854836
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Energy: -2.037851420249633
Energy: -2.24750184679557
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Energy: -2.2924059552099623
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Energy: -2.481615868971285
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Energy: -1.9908047252526144
Energy: -2.7829049715317837
Energy: -1.7590506129538772
Energy: -3.341427916977032
Energy: -2.2361665923062466
Energy: -2.4320914392572393
Energy: -2.091000370483416
Energy: -2.341228737113077
Energy: -2.086289134463659
Energy: -2.3469165035657023
Energy: -1.7609376909083905
Energy: -1.5304078375706702
Energy: -2.094651723780204
Energy: -2.194665819993333
Energy: -2.099131163057565
Energy: -1.482640300986549
Energy: -2.778362006216989
Energy: -1.999704427730419
Energy: -2.120515203348669
Energy: -2.7137541127797133
Energy: -1.981644643215824
Energy: -2.5760815573886804
Energy: -2.769688598538647
Energy: -1.9273560905698799
Energy: -2.336432133982773
Energy: -1.6056887642270725
Energy: -2.368587889041871
Energy: -1.9668043744105848
Energy: -2.990265986449413
Energy: -2.198381577140997
Energy: -2.8216324438084137
Energy: -2.196375801330772
Energy: -2.8560649384488754
Energy: -2.158014065975128
Energy: -3.0515620515190336
Energy: -2.2040887500653383
Energy: -3.0515620612265426
Energy: -2.0665448214164606
Energy: -3.051562046568486
Energy: -2.0608375243410113
Energy: -2.441035725841805
Energy: -1.8469413705035196
Energy: -2.097194553420485
Energy: -2.180948072782913
Energy: -2.3050221459104043
Energy: -1.8418586234582892
Energy: -2.309040891941889
Energy: -2.4877684821625756
Energy: -2.3786406563906883
Energy: -2.4903971212278266
Energy: -2.2909644685709774
Energy: -2.534811630182612
Energy: -2.1220124501920075
Energy: -2.4144765365618057
Energy: -2.1626953317183744
Energy: -2.102993157338774
Energy: -2.301204838624319
Energy: -2.7550016385825415
Energy: -2.3701953910785973
Energy: -2.184198992709652
Energy: -2.4095659107235896
Energy: -2.1926025872900534
Energy: -2.60385205922234
Energy: -2.2158762145208413

minimum gb energy = -5.086624528834888 eV
minimum distance =  2.35791221966637 Angstroms
sigma value = 43


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

Energy: -1.0778285831250602
Energy: -2.115633527621295
Energy: -3.5547228777462565
Energy: -2.3321443790384366
Energy: -3.677617536538165
Energy: -2.947673304615663
Energy: -1.2465119138375786
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Energy: -1.0972803450424204
Energy: -1.1359535139459116
Energy: -1.1015880556747069
Energy: -1.3950106058870269
Energy: -1.3208183250517118
Energy: -1.4299512500356442
Energy: -1.3208183263697124
Energy: -1.3857592041794653
Energy: -1.320818324519607
Energy: -1.162693987812809
Energy: -0.9841124507175988
Energy: -1.134876702198362
Energy: -1.6535470125647964
Energy: -1.1501379212766871
Energy: -1.420998294750715
Energy: -1.1264607663545714
Energy: -1.212416439356405
Energy: -1.3626769458162984
Energy: -1.205501694270456
Energy: -1.5108766540453828
Energy: -1.204973316760438
Energy: -1.4312008250805617
Energy: -0.8536559871685951
Energy: -1.6182875391468539
Energy: -0.8609827497410074
Energy: -1.4606752967434222
Energy: -0.8543000514295833
Energy: -1.2360909242069946
Energy: -1.3782055772649962
Energy: -1.2375805944217726
Energy: -1.323367166521858
Energy: -0.7625773310170525
Energy: -1.3213603383302215
Energy: -1.0624131206892542
Energy: -1.4439740273642812
Energy: -2.007188553221044
Energy: -1.3879973433901671
Energy: -1.283897456424778
Energy: -1.4239430786541636
Energy: -1.5236269420555246
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Energy: -1.7357122302179813
Energy: -0.920446584056556
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Energy: -1.2813143652741454
Energy: -1.3875811204239885
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Energy: -1.3875031737161037
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Energy: -1.2332847535487637
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Energy: -1.248033050360436
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Energy: -1.4052938951203913
Energy: -1.2245950837683408
Energy: -1.4605433067313467
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Energy: -1.540002153803982
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Energy: -1.3146916622708378
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Energy: -1.2168394618947638
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Energy: -1.171797019653625
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Energy: -1.170703682250611
Energy: -1.2351519215111721
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Energy: -1.6960279678629748
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Energy: -0.9588624209052575
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Energy: -0.9588627041212181
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Energy: -1.6706297887036188
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Energy: -1.4625001796100527
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Energy: -1.486112296590522
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Energy: -1.0791708480389524
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Energy: -1.4234734852299302
Energy: -1.640255084541816
Energy: -1.3562007996163417
Energy: -1.3916363326725376
Energy: -0.9948894509715833
Energy: -1.417680279591698
Energy: -1.5777378462154452
Energy: -1.4259418060899285
Energy: -1.6176626779777554
Energy: -1.3288103664035193
Energy: -1.464487662441558
Energy: -1.3219493164381038
Energy: -1.6416938743738654
Energy: -1.3221158871916625
Energy: -1.2253429990958578
Energy: -1.311031838837751
Energy: -1.2298292633696815
Energy: -1.4096795335208416
Energy: -1.5344199124361133
Energy: -1.373672270522114
Energy: -1.0224245591305292
Energy: -1.555802478645602
Energy: -1.0218844725210476
Energy: -1.4982115408691286
Energy: -1.023877477375173
Energy: -1.495491214406413
Energy: -2.269072993245121
Energy: -1.330130169060968
Energy: -2.7046564444568126
Energy: -1.300209049105311
Energy: -2.272246898467931
Energy: -1.336458388480014

minimum gb energy = -3.677617536538165 eV
minimum distance =  2.35540081233546 Angstroms
sigma value = 81


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

Energy: 0.3141592869327328
Energy: 0.27701569045258706
Energy: 0.01665734210545341
Energy: 0.27701569045258706
Energy: 0.3141592869327328
Energy: 0.2770156904543444
Energy: 1.0676230439538568
Energy: -0.022238396128733004
Energy: 1.0676230439538568
Energy: -0.022238396128733004
Energy: 1.0676230439538568
Energy: -0.022238396128733004
Energy: 0.264920927427435
Energy: -0.02186290698999787
Energy: 0.264920927427435
Energy: -0.02186290698999787
Energy: 0.264920927427435
Energy: -0.02186290698999787
Energy: 0.01665734210545341
Energy: 0.27701569045082974
Energy: 0.01665734210545341
Energy: 0.27701569045082974
Energy: 0.01665734210545341
Energy: 0.2770156904543444
Energy: 1.0676230439520997
Energy: -0.022238396128733004
Energy: 1.0676230439520997
Energy: -0.022238396128733004
Energy: 1.0676230439538568
Energy: -0.022238396128733004
Energy: 0.264920927427435
Energy: -0.02186290698999787
Energy: 0.264920927427435
Energy: -0.02186290698999787
Energy: 0.264920927427435
Energy: -0.021862906991755172
Energy: 0.31415928693449013
Energy: 0.27701569045258706
Energy: 0.01665734210545341
Energy: 0.27701569045258706
Energy: 0.31415928693449013
Energy: 0.27701569045258706
Energy: 1.0676230439538568
Energy: -0.0222383961269757
Energy: 1.0676230439520997
Energy: -0.0222383961269757
Energy: 1.0676230439538568
Energy: -0.022238396128733004
Energy: 0.2649209274291923
Energy: -0.02186290698999787
Energy: 0.264920927427435
Energy: -0.02186290698999787
Energy: 0.2649209274291923
Energy: -0.02186290698999787
Energy: 0.01665734210545341
Energy: 0.27701569045258706
Energy: 0.01665734210545341
Energy: 0.27701569045258706
Energy: 0.01665734210545341
Energy: 0.2770156904543444

minimum gb energy = -0.022238396128733004 eV
minimum distance =  2.44934119476278 Angstroms
sigma value = 3


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

Energy: -0.1961504334923951
Energy: -0.11762077828143769
Energy: -2.9147162337834716
Energy: -0.11661303643148943
Energy: -2.9310880757341433
Energy: -2.583508728238699
Energy: -2.7948953998471326
Energy: -1.8557448492419863
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Energy: -2.983093029492196
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Energy: -2.9677350434118557
Energy: 0.11937203744831378
Energy: -2.088392141427376
Energy: 0.11937203744673613
Energy: -2.0934910721564126
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Energy: -2.094302945844576
Energy: -2.9374403462557885
Energy: -2.1124016083298742
Energy: -2.2611185687545117
Energy: -3.3006304289697317
Energy: -2.249922540559122
Energy: -3.2157227444342977
Energy: -1.8227734106890479
Energy: -3.084847379831106
Energy: -1.816451132617529
Energy: -3.050765235362132
Energy: -1.8179689706075044
Energy: -3.083266433946532
Energy: 0.18949589268807335
Energy: -0.013506361574666557
Energy: 0.18949589268754743
Energy: -0.01350796987423395
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Energy: -0.013509597057006629
Energy: -3.2908846592657723
Energy: 0.07712250290521208
Energy: -2.8772775748921773
Energy: 0.07712234576764605
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Energy: -3.6071625913467114
Energy: -3.191301293342947
Energy: -3.565887638461223
Energy: -3.189508954800485
Energy: -3.5769366702055354
Energy: -3.6438089734640626
Energy: -3.084186015936156
Energy: -3.643441744932025
Energy: -2.956149983390956
Energy: -3.644299788641069
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Energy: -3.035151215464125
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Energy: -3.0886276924834886
Energy: -2.970569093518485
Energy: -2.91423594127586
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Energy: -3.00748067814428
Energy: -3.074863675506396
Energy: -0.09106879887210527
Energy: -2.962256629363844
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Energy: -3.2212279065382425
Energy: 0.10536011660430436
Energy: -2.4211549580878113
Energy: 0.105337594506192
Energy: -2.4284150651002525
Energy: -2.8984418593804193
Energy: -2.9285791643681223
Energy: -2.717172756294007
Energy: -1.7300043498853745
Energy: -3.473946017262452
Energy: -1.7920326014672163
Energy: -3.0731601517442138
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Energy: -3.0553161079733235
Energy: -3.180137981925863
Energy: -3.207643586558228
Energy: -3.1898724942362824

minimum gb energy = -3.644299788641069 eV
minimum distance =  2.36317498677846 Angstroms
sigma value = 67


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

Energy: -3.2186341463081054
Energy: -3.113848506353599
Energy: -3.6463567231725045
Energy: -3.468647930737955
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Energy: -3.3500769765593974
Energy: -4.755413970792295
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Energy: -2.3646293538768433
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Energy: -2.6485519477953243
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Energy: -5.28088078615455
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Energy: -2.8722584002419094
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Energy: -2.862647953512312
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Energy: -4.267479064179567
Energy: -3.857866914228654
Energy: -4.4802591409315005
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Energy: -3.6235338586859824
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Energy: -3.69024738774128
Energy: -4.928212354170941
Energy: -3.6892223742118495
Energy: 0.26548919028521395
Energy: -4.532359300087933
Energy: -4.116564377676705
Energy: -4.59118105656023
Energy: -4.7182740390429
Energy: -4.250367409613841
Energy: -4.341209630759035
Energy: -4.319277876207766
Energy: -4.68933023913184
Energy: -4.341100382302125
Energy: -4.593858876161699
Energy: -4.3132326179635285
Energy: -4.281681623354553
Energy: 0.5523903937343507
Energy: -4.192200416939326
Energy: 0.5523903937365987
Energy: -4.413824340163217
Energy: 0.5523903937358493
Energy: -4.476583312053467

minimum gb energy = -5.28088078615455 eV
minimum distance =  2.31232109548972 Angstroms
sigma value = 33


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

Energy: -2.9299263646752745
Energy: 0.45447605153014176
Energy: -3.1310173844068196
Energy: 0.4544760515282403
Energy: -2.9456210479005405
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Energy: 0.38712940681015895
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Energy: -3.30270780784078
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Energy: -3.409221199121841
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Energy: -2.160743721828746
Energy: -3.129565173324187
Energy: -2.6105084326090036
Energy: -3.0272868629822867

minimum gb energy = -4.0846535440105916 eV
minimum distance =  2.33373165160606 Angstroms
sigma value = 41


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

Energy: 0.2517966417963348
Energy: 0.49714293602029824
Energy: -1.826584825339352
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Energy: -2.211404928960007
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Energy: -2.7292999825794384
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Energy: -2.7434256621420934
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Energy: 0.49958681484614725
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Energy: 0.6159966095535278
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Energy: 0.6159966095548255
Energy: 0.40242954770433353
Energy: 0.615996609550932
Energy: 0.5948710917576976
Energy: 0.5086313327860369
Energy: 0.5948710917563997
Energy: 0.5086313327860369
Energy: 0.5948710917563997
Energy: 0.5086313327860369
Energy: 0.5024849320870246
Energy: 0.45542475789934844
Energy: 0.5024849321271991
Energy: 0.45542475749459527
Energy: 0.5024849321661348
Energy: 0.4554247569107973
Energy: 0.3770470519244092
Energy: -1.3278752247291752
Energy: 0.3770470519257071
Energy: -1.4768031435939988
Energy: 0.3770470519244092
Energy: -1.3724498730009966
Energy: 0.6405712364941821
Energy: 0.5105374018788292
Energy: 0.64057123649548
Energy: 0.5105374018788292
Energy: 0.64057123649548
Energy: 0.5105374018788292

minimum gb energy = -3.340451402555362 eV
minimum distance =  2.3726072827722 Angstroms
sigma value = 11


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

Energy: 0.4363599537300341
Energy: -2.101660169137826
Energy: -2.7947557793235744
Energy: -1.750118973862317
Energy: -2.630892234817234
Energy: -1.5045983378358772
Energy: -1.5344083035279596
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Energy: 0.5781957999757799
Energy: -1.3185446779730736
Energy: 0.5781957956138423
Energy: 0.7164826316499351
Energy: 0.5482175555889168
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Energy: 0.5482175555096928
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Energy: -2.5374437176458255
Energy: -2.064054889158309
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Energy: -1.2972037417833584
Energy: 0.5420316921726637
Energy: -1.449930659346323
Energy: 0.5420316901056588
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Energy: 0.5562635548733763
Energy: -1.9272002089233953
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Energy: -2.074017053196693
Energy: 0.5562635522211188
Energy: -1.0708966224101186
Energy: -1.2561843442206901
Energy: -1.0122714325458417
Energy: -1.7181487478183994
Energy: -2.1720099898447716
Energy: -1.8034583122926457
Energy: -2.505785813961136
Energy: -1.7654917805227086
Energy: -1.5959694253606502
Energy: -1.6535415089170653
Energy: -1.8095547557152192
Energy: -1.8281645198208527
Energy: -1.8023367001452648
Energy: -1.6426236899357938
Energy: -1.6687345322042888
Energy: -2.578230957050727
Energy: -1.2090630152863968
Energy: -1.6739701674388905
Energy: 0.41435245847149504
Energy: 0.6315497390262069
Energy: 0.4143715145783294
Energy: 0.6315497282911751
Energy: 0.41441320033704787
Energy: 0.6315497106171293
Energy: -1.662161214547622
Energy: -2.285551700107996
Energy: -1.6394372300962825
Energy: -2.031719518162219
Energy: -0.8013784191965189
Energy: -1.957284797382357
Energy: -2.2787120075834078
Energy: -2.177336907429164
Energy: -2.085415566831147
Energy: -2.678055640199711
Energy: -1.682024466821053
Energy: -2.193230584861725
Energy: -1.3949490432336782
Energy: -2.063232038295582
Energy: -1.290162036404935
Energy: -2.3686155579320545
Energy: -1.3740855376752297
Energy: -2.195940080534253

minimum gb energy = -2.8164454372001884 eV
minimum distance =  2.32385515725055 Angstroms
sigma value = 57


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

Energy: 1.0567228174459882
Energy: 1.0131598220583256
Energy: 1.0567228174459882
Energy: 1.0131598220583256
Energy: 1.0567228174459882
Energy: 1.0131598220583256
Energy: 0.6552025800830815
Energy: 0.9487975676799418
Energy: 0.6552025800820668
Energy: 0.948797567681971
Energy: 0.6552025800769941
Energy: 0.9487975676799418
Energy: 0.6720141155273555
Energy: 0.7910203263699169
Energy: 0.6720141134666544
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Energy: 0.6720141057349668
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Energy: 1.0577131509033484
Energy: 1.0058956996681028
Energy: 1.0577131509043631
Energy: 1.0058956996670882
Energy: 1.057713150902334
Energy: 1.0058956996670882
Energy: 0.6724275235597665
Energy: 0.791018898724116
Energy: 0.6724275231348426
Energy: 0.791018898722087
Energy: 0.6724275212800086
Energy: 0.791018898722087
Energy: 0.6548576255540646
Energy: 0.9428449069324819
Energy: 0.6548576255510208
Energy: 0.9428449069324819
Energy: 0.6548576255368168
Energy: 0.9428449069324819
Energy: 1.0567228174489858
Energy: 1.0131598220603548
Energy: 1.0567228174500003
Energy: 1.0131598220613696
Energy: 1.0567228174489858
Energy: 1.0131598220613696
Energy: 0.6552025800830815
Energy: 0.9487975676789271
Energy: 0.6552025800830815
Energy: 0.9487975676799418
Energy: 0.6552025800800378
Energy: 0.9487975676789271
Energy: 0.6720141155354722
Energy: 0.7910203263668732
Energy: 0.6720141135204271
Energy: 0.7910203263678879
Energy: 0.6720141063454663
Energy: 0.7910203263678879
Energy: 1.057713150902334
Energy: 1.1054909443744594
Energy: 1.0577131509033484
Energy: 1.048142233929455
Energy: 1.057713150902334
Energy: 1.1054909463682447
Energy: 0.6724275235648394
Energy: 0.7910188987231015
Energy: 0.6724275231480321
Energy: 0.791018898722087
Energy: 0.6724275209737443
Energy: 0.791018898722087
Energy: 0.6548576255520353
Energy: 0.9321074481612959
Energy: 0.6548576255520353
Energy: 0.9321074481612959
Energy: 0.6548576255347875
Energy: 0.9321074481602813
Energy: 1.0567228174459882
Energy: 1.0131598220583256
Energy: 1.0567228174459882
Energy: 1.0131598220583256
Energy: 1.0567228174459882
Energy: 1.0131598220583256
Energy: 0.6552025800820668
Energy: 0.9487975676809562
Energy: 0.6552025800820668
Energy: 0.9487975676809562
Energy: 0.6552025800780086
Energy: 0.9487975676809562
Energy: 0.6720141155263409
Energy: 0.7910203263699169
Energy: 0.6720141138986804
Energy: 0.7910203263699169
Energy: 0.6720141056680047
Energy: 0.7910203263689025
Energy: 1.057713150902334
Energy: 1.1054908268664412
Energy: 1.0577131509043631
Energy: 1.1289207012240445
Energy: 1.057713150902334
Energy: 0.9920399723053452
Energy: 0.672427523572956
Energy: 0.7910188987231015
Energy: 0.672427522965454
Energy: 0.791018898722087
Energy: 0.6724275204504524
Energy: 0.7910188987210722

minimum gb energy = 0.6548576255347875 eV
minimum distance =  2.33888246425824 Angstroms
sigma value = 9


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

Energy: 0.8585723559475816
Energy: 0.9474661989602219
Energy: 0.85857235594841
Energy: 0.9474661989569083
Energy: 0.8585723559450963
Energy: 0.9474661989535947
Energy: 0.8663780389958392
Energy: 0.8867494218883858
Energy: 0.8663757907082621
Energy: 0.8867494218883858
Energy: -2.688087354648658
Energy: 0.8867494218867291
Energy: 0.8428142758380123
Energy: 0.8437568848232607
Energy: 0.8428142758363554
Energy: 0.8437568848240892
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Energy: 0.7821621562033327
Energy: -3.5640082617147906
Energy: 0.7821621517029752
Energy: -1.4142174706605497
Energy: 0.7821621364150441
Energy: -4.011397705677634
Energy: 0.8057101551536267
Energy: 0.8449874376661519
Energy: 0.8057093802041959
Energy: 0.8449874376636668
Energy: 0.8057060063982701
Energy: 0.8449874376653237
Energy: 0.9199482182329314
Energy: 0.7866631426745582
Energy: 0.919947489057149
Energy: 0.7866625853286757
Energy: 0.9199449618221103
Energy: 0.7866618770424646
Energy: 0.8871755362571767
Energy: 1.0308760662497467
Energy: 0.887175536256386
Energy: 1.0308760651782491
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Energy: -1.0876285361747564
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Energy: -1.0980202761257298
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Energy: 0.8076511514089596
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Energy: 0.9257324036534785
Energy: 0.8076511513452105
Energy: 0.9257324036518217
Energy: 0.9046395585896082
Energy: 0.8556532172233992
Energy: 0.9046395585904364
Energy: 0.8556532343379898
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Energy: 0.8556516230546609
Energy: -1.530905571097039
Energy: 0.8024148474719297
Energy: -0.8987992678434449
Energy: 0.802414847095196
Energy: -1.7041110482636896
Energy: 0.8024148465048104
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Energy: 0.956594686232462
Energy: 0.8776414044510352
Energy: 0.9565946857356481
Energy: 0.8776414044526921
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Energy: 0.8258726353897258
Energy: -3.0511341249229034
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Energy: -3.156092904332427
Energy: 1.093827720671024
Energy: 0.737446448700913
Energy: 1.093827720669367
Energy: 0.7373937739763926
Energy: 1.0938277206701956
Energy: 0.7373187740001855
Energy: 0.7979832657609923
Energy: 0.9526265699386764
Energy: 0.7979832657005567
Energy: 0.9526265699295638
Energy: 0.7979832654099014
Energy: 0.9526265699204515
Energy: 0.7852909277697525
Energy: 0.9180845628534745
Energy: 0.7852909265360015
Energy: 0.9180845626075528
Energy: 0.7852909209749156
Energy: 0.9180845623301518
Energy: -1.1250908068182686
Energy: 0.8588584956132105
Energy: -1.1176279119036203
Energy: 0.8588584956156955
Energy: -1.0851360175452427
Energy: 0.8588584956140387
Energy: 0.8873506893385913
Energy: 0.8104334196279745
Energy: 0.887350689337763
Energy: 0.8104334196296313
Energy: 0.8873506893369345
Energy: 0.8104334196304599
Energy: 0.8438659526006925
Energy: 0.884192671435226
Energy: 0.8438659525692133
Energy: 0.8841926714327406
Energy: 0.8438659525120914
Energy: 0.8841926714194862
Energy: 1.042392371578243
Energy: 0.7341062685943356
Energy: 1.0423921160226852
Energy: 0.7339905935455528
Energy: 1.0423913777609002
Energy: -3.4926671715031783

minimum gb energy = -4.011397705677634 eV
minimum distance =  2.2703701904921 Angstroms
sigma value = 27


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

Energy: -0.8294186498698523
Energy: -0.8959356267905147
Energy: -2.0002263935813076
Energy: -1.9869304759469653
Energy: -1.7771046826438055
Energy: -2.0802903448810914
Energy: -0.8380545770026854
Energy: 0.3647589087091511
Energy: -0.6962077818496438
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Energy: -0.7504221867057986
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Energy: -0.7849038831164591
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Energy: 0.21467668669075232
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Energy: -1.0729374565418817
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Energy: -1.0596512012086516
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Energy: 1.1218548596606288
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Energy: -0.8377241866756522
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Energy: 1.0799687141886882
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Energy: 1.0192765888877764
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Energy: 1.068043977887606
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Energy: -2.3935746869701777
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Energy: -2.011916205327263
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Energy: -0.7590980886182501
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Energy: -1.013798135620323
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Energy: -1.0277003682161403
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Energy: -0.5172178169595868
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Energy: -0.7394639967942293
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Energy: -0.7465624286468342
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Energy: 0.8919191560463994
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Energy: 0.8936869402699773
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Energy: 0.8936869402706755
Energy: -1.263085713785128
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Energy: -0.9688191652846748
Energy: -0.864339708769218
Energy: -0.8867954379476788
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Energy: -1.7472075781590217
Energy: -1.7778748078590427
Energy: -1.9289709384361229
Energy: -0.8048000660207318
Energy: 0.36475903648457125
Energy: -0.6594080041472962
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Energy: -0.7320202876328114
Energy: 0.3647582161015649
Energy: -1.7310801437542012
Energy: 0.8932493996664698
Energy: -0.6792567455126625
Energy: 0.8932493996685646
Energy: -1.3581810151633706
Energy: 0.8932493996678664
Energy: 0.21467668543438642
Energy: 0.8421566229718191
Energy: 0.21467666868939064
Energy: 0.8421566229739141
Energy: 0.2146766278134292
Energy: 0.8421566229732158
Energy: -1.060882391708524
Energy: 0.9375953545406656
Energy: -1.02364714121481
Energy: 0.9375953545406656
Energy: -1.0236866874924473
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Energy: 1.1218548596585338
Energy: 0.9942283937135478
Energy: 1.1218548596592324
Energy: 0.9942283937135478
Energy: 1.121854859657836
Energy: 0.994228393709358

minimum gb energy = -2.6520052833635037 eV
minimum distance =  2.32173604621592 Angstroms
sigma value = 19


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

Energy: 0.6544741695950914
Energy: 0.8835407700563622
Energy: 0.6617723748465715
Energy: 0.8835407701081713
Energy: 0.6618491711303179
Energy: 0.8835407701503364
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Energy: -1.6766008963536636
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Energy: -0.5386503224065651
Energy: 0.9050530500583284
Energy: -0.3925581467720972
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Energy: -0.3833129072515999
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Energy: -0.6048483408926049
Energy: -0.8531578954540366
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Energy: -0.9029181839614215
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Energy: -0.7492111952600391
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Energy: -0.9111004011150665
Energy: -1.1964946065011053
Energy: -1.0700504974732974
Energy: -1.0613991442420039
Energy: -0.7631041552710217
Energy: -1.0207057733507243
Energy: 0.8091046873580147
Energy: -0.6283271967792612
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Energy: -0.7606798804291104
Energy: 0.8091046873568093
Energy: -0.7614186371247506
Energy: -0.36207516091861885
Energy: 0.785341132664131
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Energy: -0.7462960640433323
Energy: -1.1765902879578822
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Energy: -1.6227683324847741
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Energy: 0.8610633426642951
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Energy: 0.861063342659473
Energy: -0.48077109096379383
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Energy: -0.38329854442843364
Energy: -0.9506883438159212
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Energy: -0.9156659808736716
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Energy: -1.0402475632103536
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Energy: -0.810715032118815
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Energy: -0.624460313631135
Energy: -1.3987071449276611
Energy: -0.8160316114100817
Energy: -1.3280891354842839

minimum gb energy = -1.994892735294857 eV
minimum distance =  2.32351310290712 Angstroms
sigma value = 101


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

Energy: -0.18236450140528085
Energy: 0.8346528135671558
Energy: -0.18236450157844428
Energy: 0.8346528135682155
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Energy: 0.12205497980931335
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Energy: -0.29016924755106954
Energy: 0.8164862880146698
Energy: 0.9320178439279246
Energy: 0.8164862875941645
Energy: 0.9685082796632679
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Energy: 1.0789250943297326
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Energy: -0.19498350966674588
Energy: -0.05853337252510256
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Energy: -0.0584045996713746
Energy: -0.19498358020460999
Energy: 0.7694740014934803
Energy: -0.30498599946774113
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Energy: -0.30499213458909347
Energy: 0.7694740014913609
Energy: -0.304923691362967
Energy: -0.15837889314481465
Energy: 0.8077470574277639
Energy: -0.1583792657770692
Energy: 0.8077459896640488
Energy: -0.15838130697923286
Energy: 0.8077445896111566
Energy: -0.26105778943740926
Energy: -0.2732341993380671
Energy: -0.2621164618131924
Energy: -1.8743729819359742
Energy: -0.2610633500922404
Energy: -0.28228897484360693
Energy: 1.0632526612448954
Energy: -0.3978504885854706
Energy: 1.063252661245955
Energy: -0.39785048851500115
Energy: 1.0632526612464848
Energy: -0.397850488707817
Energy: 0.8047657593461526
Energy: 0.7832679319612674
Energy: 0.8047657593466824
Energy: 0.783267932000476
Energy: 0.8047657593461526
Energy: 0.7832679320433452
Energy: 0.8086851408647808
Energy: 0.7953362937706675
Energy: 0.8086851408457064
Energy: 0.7953362937696078
Energy: 0.8086851408250422
Energy: 0.7953362937701377
Energy: -0.4077378401516584
Energy: -0.9275556220092956
Energy: -0.39305861355552285
Energy: -0.3480980848082193
Energy: -0.39216243243446686
Energy: -0.3184069368938757
Energy: 0.20356784571433875
Energy: -0.20516312708967116
Energy: 0.04363983030352538
Energy: -0.20516312702397022
Energy: 0.1615154594812404
Energy: -0.2051631268041803

minimum gb energy = -2.9286418797805194 eV
minimum distance =  2.2714688195765 Angstroms
sigma value = 33


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

Energy: 0.018205587065473646
Energy: 0.6393945859966884
Energy: 0.018205587065473646
Energy: 0.6393945859962483
Energy: 0.018205587065473646
Energy: 0.6393945859966884
Energy: 0.018950691650553412
Energy: -3.6538036135631153
Energy: 0.018950691650553412
Energy: -3.653803613563507
Energy: 0.018950691650553412
Energy: -3.6538036135631153
Energy: 0.6307043819032788
Energy: -3.6528491353190082
Energy: 0.6307043819049908
Energy: -3.652849135317247
Energy: 0.6307043819037189
Energy: -3.6528491353176875
Energy: 0.01895069164928163
Energy: -3.653803613562675
Energy: 0.01895069164928163
Energy: -3.6538036135622347
Energy: 0.01895069164928163
Energy: -3.6538036135622347

minimum gb energy = -3.653803613563507 eV
minimum distance =  2.46608290016784 Angstroms
sigma value = 1