Model name: model_name=EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000084042549
cohesive_energy=3.540278406876014
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.0 eV

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

Energy: 0.013694489240366368
Energy: 0.014422234756889332
Energy: 0.014067607345107648
Energy: 0.014422234756889332
Energy: 0.014422234756889332
Energy: 0.7731574366360299
Energy: 0.014422234756889332
Energy: 0.7731574366360299
Energy: 0.014067607345107648
Energy: 0.014422234756889332
Energy: 0.013694489240366368
Energy: 0.014422234756889332
Energy: 0.014422234756889332
Energy: 0.7731574366360299
Energy: 0.014422234756889332
Energy: 0.7731574366360299

minimum gb energy = 0.013694489240366368 eV
minimum distance =  2.4684170845771 Angstroms
sigma value = 1


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

Energy: 0.9343844099194327
Energy: 0.9248389617143601
Energy: 0.8390664424566557
Energy: 0.9248389617120781
Energy: 0.8805576463729459
Energy: 0.926304233543903
Energy: 0.8716596791242717
Energy: 0.9263042335423818
Energy: 0.8435063896183502
Energy: 0.9136310709310388
Energy: 0.8698629532482358
Energy: 0.9136310709295175
Energy: 0.8628175660993767
Energy: 0.9354493025957725
Energy: 0.8546473844965198
Energy: 0.9354493025965331
Energy: 0.8653293740102088
Energy: 0.9262940344400907
Energy: 0.8753509611304838
Energy: 0.9262940344408515
Energy: 0.8350094912278417
Energy: 0.911893185584754
Energy: 0.8281768266093216
Energy: 0.911893185584754
Energy: 0.8835810620369162
Energy: 0.9133048504495939
Energy: 0.8361334094315876
Energy: 0.9133048504495939
Energy: 0.7872467807193493
Energy: 0.9261026349995374
Energy: 0.8264658555901272
Energy: 0.9261026349995374
Energy: 0.8559156487011974
Energy: 0.8840007145423563
Energy: 0.8777178121490639
Energy: 0.8840007145415955
Energy: 0.823596063063105
Energy: 0.9131813408962751
Energy: 0.7814084429024223
Energy: 0.9131813408970358
Energy: 0.8763018764108036
Energy: 0.9161148882396792
Energy: 0.8560681094309532
Energy: 0.91611488824044
Energy: 0.8628608809011313
Energy: 0.9258689348028176
Energy: 0.8332433926239298
Energy: 0.925868934802057
Energy: 0.8694119481980647
Energy: 0.9130369656921538
Energy: 0.8838569110190928
Energy: 0.9130369656921538
Energy: 0.87490827358363
Energy: 0.921021468310696
Energy: 0.847583255026029
Energy: 0.9210214683114567
Energy: 0.8704222715758692
Energy: 0.9262687789037805
Energy: 0.8695149300110107
Energy: 0.9262687789045411
Energy: 0.8766606183853801
Energy: 0.9247355941328576
Energy: 0.8695928341783903
Energy: 0.9247355941336182
Energy: 0.8695713343589319
Energy: 0.9135720296218459
Energy: 0.819585316071539
Energy: 0.9135720296218459
Energy: 0.8717901563585221
Energy: 0.9144256755942988
Energy: 0.8812455473788124
Energy: 0.9144256755950593
Energy: 0.8400057792087504
Energy: 0.9254437160923958
Energy: 0.8328819586109819
Energy: 0.9254437160916351
Energy: 0.871236200546939
Energy: 0.8723052331566621
Energy: 0.8590134565100672
Energy: 0.8723052331559014
Energy: 0.8251627930739858
Energy: 0.9134238722798279
Energy: 0.80218473912576
Energy: 0.9134238722813492
Energy: 0.8550301296816417
Energy: 0.9248460218775919
Energy: 0.8708216345161743
Energy: 0.9248460218775919
Energy: 0.8701794267513079
Energy: 0.926338749542859
Energy: 0.8256928181167429
Energy: 0.926338749542859
Energy: 0.8528427167500345
Energy: 0.9146617122483401
Energy: 0.834945150284462
Energy: 0.9146617122468188
Energy: 0.8361830760186258
Energy: 0.908431394808792
Energy: 0.8834843210948609
Energy: 0.908431394808792
Energy: 0.8676997561202914
Energy: 0.9259453551584585
Energy: 0.8254561901057653
Energy: 0.9259453551584585
Energy: 0.8690415059996076
Energy: 0.9228795970885724
Energy: 0.8556874005800609
Energy: 0.9228795970878116
Energy: 0.8237011954677147
Energy: 0.9131140522656133
Energy: 0.8696754094112051
Energy: 0.9131140522656133
Energy: 0.8798676848373073
Energy: 0.924015955689036
Energy: 0.8693907549884151
Energy: 0.9240159556897968
Energy: 0.8831105179834767
Energy: 0.925218676340444
Energy: 0.8659869041119798
Energy: 0.9252186763396834
Energy: 0.8782239532649593
Energy: 0.9197026863468997
Energy: 0.8693030482535922
Energy: 0.9197026863461392
Energy: 0.8542716488888846
Energy: 0.9140738472546187
Energy: 0.8747090591001279
Energy: 0.9140738472546187
Energy: 0.8650673695535646
Energy: 0.9345266816848685
Energy: 0.8552150812965745
Energy: 0.9345266816848685

minimum gb energy = 0.7814084429024223 eV
minimum distance =  2.29376454346927 Angstroms
sigma value = 1


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

Energy: 0.998919177144147
Energy: 0.9891232525194692
Energy: 0.8989374302072584
Energy: 0.9891232525168673
Energy: 0.907552080972588
Energy: 0.9657569164617128
Energy: 0.9110317837072173
Energy: 0.9657569164677839
Energy: 0.8645306414483117
Energy: 0.9886715275780068
Energy: 0.9056272290261312
Energy: 0.9886715275771395
Energy: 0.8825647666351669
Energy: 0.9367695664403421
Energy: 0.8682606786045847
Energy: 0.9367695664412095
Energy: 0.8826933955203047
Energy: 0.9714967589469313
Energy: 0.9056315683966696
Energy: 0.9714967589434621
Energy: 0.927027845637208
Energy: 0.9729705091060045
Energy: 0.905270550971931
Energy: 0.9729705091008005
Energy: 0.9071259475962274
Energy: 0.9406726766221487
Energy: 0.8865338952410213
Energy: 0.9406726766247507
Energy: 0.8166136412876845
Energy: 0.9886891440156905
Energy: 0.8622692716088647
Energy: 0.9886891440174251
Energy: 0.8813134739551209
Energy: 0.925109188121706
Energy: 0.9110308506536866
Energy: 0.9251091881251753
Energy: 0.8729713358822858
Energy: 0.9896592712978359
Energy: 0.8839571220199541
Energy: 0.9896592713013052
Energy: 0.9069844879035925
Energy: 0.9502945793229025
Energy: 0.9068489696300719
Energy: 0.9502945793194332
Energy: 0.8510698266922053
Energy: 0.979905641744749
Energy: 0.9058431259584353
Energy: 0.9799056417369433
Energy: 0.9258547600818547
Energy: 0.970803981162841
Energy: 0.8848771850884752
Energy: 0.9708039811654429
Energy: 0.9254436515902669
Energy: 0.9707964558106975
Energy: 0.8926050413974908
Energy: 0.9707964558124321
Energy: 0.8508973689022037
Energy: 0.9797983756345168
Energy: 0.9129583736559556
Energy: 0.9797983756336494
Energy: 0.9071020451475251
Energy: 0.9502553484716157
Energy: 0.9109028471664675
Energy: 0.9502553484733108
Energy: 0.8729187018742206
Energy: 0.9900049560373494
Energy: 0.8465833306640576
Energy: 0.9900049560364823
Energy: 0.8838889945131584
Energy: 0.9252211480699256
Energy: 0.9110299910864346
Energy: 0.9252211480673238
Energy: 0.8166483551780681
Energy: 0.9893735920755273
Energy: 0.8467852520024673
Energy: 0.9893735920763944
Energy: 0.9070960134279787
Energy: 0.9406939147684777
Energy: 0.8683082068170604
Energy: 0.940693914760672
Energy: 0.9266968554299594
Energy: 0.9727796803524357
Energy: 0.8617081779962507
Energy: 0.9727796803585067
Energy: 0.8826880810645972
Energy: 0.9715033221889272
Energy: 0.888099036171563
Energy: 0.9715033221871927
Energy: 0.8827867131239221
Energy: 0.9368877559611944
Energy: 0.8706790349919219
Energy: 0.9368877559577646
Energy: 0.864332880373117
Energy: 0.9886645591664219
Energy: 0.9103569887270332
Energy: 0.9886645591664219
Energy: 0.9076171794002451
Energy: 0.9657563905395393
Energy: 0.911157023995442
Energy: 0.965756390532601
Energy: 0.998919177144147
Energy: 0.9891232525194692
Energy: 0.9113032382537142
Energy: 0.9891232525168673
Energy: 0.907552080972588
Energy: 0.9657569164625801
Energy: 0.9110317837072173
Energy: 0.9657569164677839
Energy: 0.8645306414474443
Energy: 0.9886715275780068
Energy: 0.9056272290269985
Energy: 0.9886715275771395
Energy: 0.8825647666342996
Energy: 0.9367695664412095
Energy: 0.868260678605452
Energy: 0.9367695664420768

minimum gb energy = 0.8166136412876845 eV
minimum distance =  2.28350921765859 Angstroms
sigma value = 25


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

Energy: 0.9548953107168545
Energy: 1.0372084311193135
Energy: 0.933762246373133
Energy: 1.0372084311172973
Energy: 0.9691664970105469
Energy: 1.0029822265140578
Energy: 0.933784839831991
Energy: 1.0029822265140578
Energy: 0.9224607890267777
Energy: 1.064976414560485
Energy: 0.9349515703277371
Energy: 1.064976414560485
Energy: 0.9326318198975029
Energy: 1.0095121353994114
Energy: 0.9083228009407257
Energy: 1.0095121353984033
Energy: 0.9098019743227734
Energy: 1.037418216777085
Energy: 0.9475078040348748
Energy: 1.0374182167780932
Energy: 0.9866697933427415
Energy: 1.0653791094608793
Energy: 0.9077924144151484
Energy: 1.0653791094598712
Energy: 0.9349627617842745
Energy: 0.9369282724537383
Energy: 0.9311552966116717
Energy: 0.9369282724537383
Energy: 1.0202739439397501
Energy: 1.037721560675463
Energy: 0.87096378383387
Energy: 1.037721560675463
Energy: 0.9315558960695143
Energy: 0.9987986260702663
Energy: 0.9351836018642785
Energy: 0.9987986260702663
Energy: 0.9335876834241231
Energy: 1.0653997592004776
Energy: 0.8984827002112729
Energy: 1.0653997592004776
Energy: 0.934151072512633
Energy: 1.0370240094209906
Energy: 0.9344721459161349
Energy: 1.0370240094209906
Energy: 0.9095895324890394
Energy: 1.037095966803514
Energy: 0.9347258706037862
Energy: 1.0370959668025057
Energy: 0.9347341284044736
Energy: 1.0102790534374808
Energy: 0.8979984619187913
Energy: 1.0102790534364725
Energy: 0.9320158801236377
Energy: 0.9338224273301302
Energy: 0.9687217437235541
Energy: 0.9338224273301302
Energy: 0.8988515538003676
Energy: 1.0376305389515907
Energy: 0.8690639775031048
Energy: 1.0376305389515907
Energy: 0.9344620206952194
Energy: 0.9392389148728639
Energy: 0.9083432367195061
Energy: 0.9392389148718556
Energy: 0.8558614854580823
Energy: 1.064887437281677
Energy: 0.8555083420589639
Energy: 1.064887437282685
Energy: 0.9083365235918627
Energy: 1.011847355613522
Energy: 0.9319842218386429
Energy: 1.011847355613522
Energy: 0.9295880984648428
Energy: 1.0088673987731125
Energy: 0.9100965732930291
Energy: 1.0088673987731125
Energy: 0.9097524103603399
Energy: 1.0651374561054816
Energy: 0.9375360378366937
Energy: 1.0651374561054816
Energy: 0.9455369450379282
Energy: 0.9937281385231704
Energy: 0.9353189111108356
Energy: 0.9937281385231704
Energy: 0.954816935948499
Energy: 1.0372827077571973
Energy: 0.9790149640031386
Energy: 1.0372827077571973
Energy: 0.9364644268324462
Energy: 1.0043765325979432
Energy: 0.9342295428108462
Energy: 1.0043765325989518
Energy: 0.8998793360177546
Energy: 1.065443023841023
Energy: 0.9337648064056194
Energy: 1.0654430238420312
Energy: 0.9348396217763942
Energy: 0.9443357532344104
Energy: 0.9073404603409185
Energy: 0.9443357532313857

minimum gb energy = 0.8555083420589639 eV
minimum distance =  2.28636893912913 Angstroms
sigma value = 9


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

Energy: 1.0760000639174292
Energy: 1.0835414935930456
Energy: 1.0347174603442866
Energy: 1.0835414935918428
Energy: 0.9742558534662008
Energy: 1.0668203883196472
Energy: 0.9828117468736972
Energy: 1.0668203883196472
Energy: 0.9032255718361867
Energy: 1.0061485407062851
Energy: 0.9846173793580698
Energy: 1.0061485407062851
Energy: 1.0063445542144476
Energy: 1.0871572229072637
Energy: 0.9229255161465906
Energy: 1.087157222909669
Energy: 1.0336239138376122
Energy: 1.0669421928846485
Energy: 0.9547194533864619
Energy: 1.0669421928858516
Energy: 0.9255277226436653
Energy: 1.0063456589685815
Energy: 0.9609002407980031
Energy: 1.0063456589685815
Energy: 1.002845747936624
Energy: 0.9229075774588192
Energy: 0.9240007529772133
Energy: 0.9229075774576163
Energy: 0.9456683291333912
Energy: 1.0060480977112873
Energy: 0.951073445227214
Energy: 1.0060480977112873
Energy: 1.0021706199430445
Energy: 1.0671127464706727
Energy: 0.9543551254288898
Energy: 1.0671127464706727
Energy: 1.0077640212810968
Energy: 1.0833229621772456
Energy: 0.9227735895856187
Energy: 1.0833229621772456
Energy: 0.932937855042592
Energy: 1.0749513258693253
Energy: 0.9846307546025292
Energy: 1.0749513258705279
Energy: 1.0044224094844278
Energy: 1.0323937650283272
Energy: 0.9228513962138537
Energy: 1.0323937650271247
Energy: 0.9259702819042667
Energy: 1.0107870809698547
Energy: 0.8936944087753008
Energy: 1.0107870809698547
Energy: 0.9705401556008678
Energy: 0.994278298281929
Energy: 0.9958323490228106
Energy: 0.9942782982855373
Energy: 0.9260417511368283
Energy: 1.0111098405353904
Energy: 0.9457021960819408
Energy: 1.011109840532985
Energy: 1.004972408076709
Energy: 1.0109325535718974
Energy: 0.9225744207415146
Energy: 1.0109325535718974
Energy: 1.0088647126259123
Energy: 1.0659041416807191
Energy: 0.9844353114641965
Energy: 1.0659041416807191
Energy: 0.9981354393664059
Energy: 1.0835226064447805
Energy: 0.9229441747944014
Energy: 1.0835226064447805
Energy: 1.0015238994288105
Energy: 1.0577202776579353
Energy: 0.9836850069082008
Energy: 1.0577202776579353
Energy: 0.9873957822219274
Energy: 1.0061256643436307
Energy: 0.9508182139831571
Energy: 1.006125664346036
Energy: 1.0024463959263963
Energy: 1.0315909704080368
Energy: 0.9238529939330838
Energy: 1.0315909704092396

minimum gb energy = 0.8936944087753008 eV
minimum distance =  2.28319407501073 Angstroms
sigma value = 25


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

Energy: 0.9584702528068698
Energy: 1.1085512132683732
Energy: 1.0989853104740006
Energy: 1.1085512132653983
Energy: 0.9430107400183256
Energy: 1.0808412884721617
Energy: 0.9319362233955267
Energy: 1.0808412884706742
Energy: 0.9326035422296365
Energy: 1.0946564694147662
Energy: 0.9316800415858788
Energy: 1.094656469411791
Energy: 0.9585274441407654
Energy: 1.0761039991742596
Energy: 1.0602156773815383
Energy: 1.0761039991727723
Energy: 1.057327152714665
Energy: 0.9436379695314746
Energy: 0.9672658652732447
Energy: 0.9436379695314746
Energy: 0.9355944176245002
Energy: 1.160579804004776
Energy: 0.9343544751348842
Energy: 1.160579804004776
Energy: 0.9670727637931118
Energy: 1.076318051453577
Energy: 0.9320593898195279
Energy: 1.076318051453577
Energy: 1.0481033773837418
Energy: 0.9333815557827562
Energy: 0.9572647561583417
Energy: 0.9333815557797813
Energy: 0.9318741458707724
Energy: 1.078127362667808
Energy: 0.9452878034696032
Energy: 1.0781273626692955
Energy: 1.092084302591911
Energy: 1.0939622577085517
Energy: 0.9341535470583929
Energy: 1.0939622577085517
Energy: 0.9620283052175893
Energy: 1.0769233489445427
Energy: 1.1712206323843934
Energy: 1.0769233489460301
Energy: 0.9324102169820762
Energy: 0.9690643688004372
Energy: 1.0903200264606314
Energy: 0.9690643688019246
Energy: 1.0479101222742702
Energy: 1.094414705733267
Energy: 0.9319999953722294
Energy: 1.0944147057317797
Energy: 0.931876725678035
Energy: 1.0787031299748735
Energy: 0.9572869342910016
Energy: 1.078703129973386
Energy: 0.9680906670676318
Energy: 1.0690490712729455
Energy: 1.0485202827801925
Energy: 1.0690490712714582
Energy: 0.9427244519251692
Energy: 1.037742703406632
Energy: 0.9353576330874559
Energy: 1.0377427034051447
Energy: 0.932219879282112
Energy: 1.0155511154340302
Energy: 1.089897562301258
Energy: 1.0155511154340302

minimum gb energy = 0.9316800415858788 eV
minimum distance =  2.3496963188585 Angstroms
sigma value = 17


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

Energy: 1.0622220744135085
Energy: 1.0614321708325583
Energy: 1.1985902996106246
Energy: 1.0614321708325583
Energy: 1.0957675857874816
Energy: 1.0233731080722173
Energy: 0.9596203252506584
Energy: 1.0233731080713746
Energy: 1.0764544448244382
Energy: 1.0576431225615461
Energy: 0.9593338010688155
Energy: 1.0576431225598613
Energy: 0.9617629911284151
Energy: 1.0610556740299837
Energy: 1.0339233476027772
Energy: 1.0610556740282988
Energy: 1.1039205047665175
Energy: 1.1249481477699859
Energy: 0.9828404413952564
Energy: 1.1249481477716705
Energy: 0.971573042688856
Energy: 0.9953172533478898
Energy: 1.0734360888265082
Energy: 0.9953172533470472
Energy: 0.9643895613108838
Energy: 1.0680253397318988
Energy: 0.9599698571353625
Energy: 1.0680253397335835
Energy: 1.0714034031323632
Energy: 1.0608845404146587
Energy: 0.9688442594405099
Energy: 1.0608845404146587
Energy: 0.9744924739763946
Energy: 1.1063168503802463
Energy: 1.1057670226159553
Energy: 1.1063168503810885
Energy: 1.1740140905368872
Energy: 1.0330713048663123
Energy: 0.959870858289039
Energy: 1.033071304867155
Energy: 0.9645115054671463
Energy: 1.0564321870096907
Energy: 1.0800000133068257
Energy: 1.0564321870113758
Energy: 0.96929066917943
Energy: 1.0647742872645694
Energy: 0.9691257899820168
Energy: 1.064774287266254
Energy: 1.0930152811690663
Energy: 1.0588556800093707
Energy: 1.058547394616709
Energy: 1.0588556800085285
Energy: 0.9594851313670522
Energy: 1.1765219530566484
Energy: 1.0867821256055596
Energy: 1.1765219530583333
Energy: 1.045678705407975
Energy: 1.069254865552448
Energy: 0.973996201633125
Energy: 1.0692548655516056
Energy: 1.077784303529601
Energy: 1.060676521238193
Energy: 1.0714518218356288
Energy: 1.0606765212390354
Energy: 0.9603403492758039
Energy: 1.0562933224626823
Energy: 1.1820071039466953
Energy: 1.0562933224618398
Energy: 1.0685056378481632
Energy: 1.056807614892915
Energy: 0.9715783195471098
Energy: 1.056807614892915
Energy: 0.9600106884392201
Energy: 1.0728889194801179
Energy: 1.0239202681650466
Energy: 1.0728889194801179
Energy: 0.9596986180900914
Energy: 1.0611149668095423
Energy: 0.9619600233866382
Energy: 1.0611149668095423
Energy: 1.0166437457044262
Energy: 1.0578968221337213
Energy: 1.076218543157423
Energy: 1.0578968221345637
Energy: 0.9599286749102782
Energy: 1.1273819337537374
Energy: 1.1765777921684337
Energy: 1.1273819337537374
Energy: 1.0942770116469616
Energy: 1.0615302069305346
Energy: 0.9598659208010664
Energy: 1.0615302069305346
Energy: 0.9686044064195352
Energy: 1.069512550865297
Energy: 1.0886920134893112
Energy: 1.0695125508661392
Energy: 0.9684089545105296
Energy: 1.0576191031627011
Energy: 1.0878487041039464
Energy: 1.0576191031627011
Energy: 1.0981364239316045
Energy: 1.0609021675741126
Energy: 0.961070874819292
Energy: 1.0609021675732702
Energy: 0.9821973854192624
Energy: 1.1057270533140922
Energy: 1.2002009693776532
Energy: 1.1057270533140922
Energy: 1.0741598101664478
Energy: 0.9950795361926328
Energy: 1.0772787119441116
Energy: 0.9950795361934751
Energy: 1.143842014004403
Energy: 1.102312628518177
Energy: 0.9642526722918838
Energy: 1.1023126285190195
Energy: 0.9686402347879117
Energy: 1.1052451109197619
Energy: 1.0698252120089018
Energy: 1.1052451109206045

minimum gb energy = 0.9593338010688155 eV
minimum distance =  2.26803429422463 Angstroms
sigma value = 53


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

Energy: 0.92100968031031
Energy: 0.9203328079654771
Energy: 1.1646033212739744
Energy: 0.9203328079674165
Energy: 1.1021185907255868
Energy: 0.9954558145562707
Energy: 0.9357406131789047
Energy: 0.9954558145562707
Energy: 0.9218974824642835
Energy: 0.9197871239487361
Energy: 1.0832902243346982
Energy: 0.9197871239487361
Energy: 0.9216382758443427
Energy: 0.9198952675664809
Energy: 1.0273832337241664
Energy: 0.9198952675664809
Energy: 1.1021254076914082
Energy: 0.9954575535200556
Energy: 0.9374503749336989
Energy: 0.9954575535200556
Energy: 0.9210096803083707
Energy: 0.9203328079654771
Energy: 1.221392231217838
Energy: 0.9203328079674165
Energy: 1.1021185907255868
Energy: 0.9954558145562707
Energy: 1.027293639161962
Energy: 0.9954558145582101
Energy: 0.9218974824642835
Energy: 0.9197871239487361
Energy: 1.083290224332759
Energy: 0.9197871239487361
Energy: 0.921638275846282
Energy: 0.9198952675664809
Energy: 1.0932211619749643
Energy: 0.9198952675645414
Energy: 1.1021254076933475
Energy: 0.9954575535181163
Energy: 1.0284833796429382
Energy: 0.9954575535200556
Energy: 0.92100968031031
Energy: 0.9203328079674165
Energy: 1.2213930902115169
Energy: 0.9203328079674165
Energy: 1.1021185907255868
Energy: 0.9954558145562707
Energy: 1.0814803822058143
Energy: 0.9954558145562707
Energy: 0.9218974824642835
Energy: 0.9197871239487361
Energy: 1.0832902243346982
Energy: 0.9197871239487361

minimum gb energy = 0.9197871239487361 eV
minimum distance =  2.32759277330073 Angstroms
sigma value = 9


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

Energy: 1.0171039984358405
Energy: 1.1515862083380668
Energy: 1.2969119439211474
Energy: 1.1515862083395025
Energy: 1.1363735969707942
Energy: 1.054521398949484
Energy: 1.0135944173149698
Energy: 1.054521398949484
Energy: 0.9959072232090778
Energy: 1.00609148756284
Energy: 1.013107264386081
Energy: 1.0060914875621223
Energy: 1.1034040533389826
Energy: 1.1779406000900183
Energy: 1.0135198949344184
Energy: 1.177940600090736
Energy: 1.1242342306129087
Energy: 1.0583904292167812
Energy: 1.010486322778915
Energy: 1.0583904292167812
Energy: 1.006463751423439
Energy: 1.0056870903715018
Energy: 1.109249186321638
Energy: 1.0056870903707842
Energy: 1.2849425705588131
Energy: 1.05445674392989
Energy: 1.011509980891243
Energy: 1.05445674392989
Energy: 1.0021044884524202
Energy: 1.2190497745646047
Energy: 1.1138530244835891
Energy: 1.2190497745646047
Energy: 0.9984871375075441
Energy: 1.1834620084136536
Energy: 1.012377755204037
Energy: 1.1834620084043226
Energy: 0.997947695470462
Energy: 1.0518996781344805
Energy: 1.0105979910723084
Energy: 1.051899678133045
Energy: 1.003169048079851
Energy: 1.0702728703986437
Energy: 1.269049738814503
Energy: 1.0702728704022326
Energy: 1.1296261014380469
Energy: 1.14347256641996
Energy: 1.0028346730894906
Energy: 1.14347256641996
Energy: 0.9979821644352986
Energy: 1.0805403760855887
Energy: 1.1968182955895665
Energy: 1.0805403760855887
Energy: 1.1071850920016777
Energy: 1.113612774443182
Energy: 1.0203595376868666
Energy: 1.113612774429544
Energy: 1.005650472000249
Energy: 1.127356971186458
Energy: 1.1120742717206804
Energy: 1.127356971186458
Energy: 1.0014571012392797
Energy: 1.1836540566408396
Energy: 1.1061444228925994
Energy: 1.1836540566415574
Energy: 1.0640708386965252
Energy: 1.1270678889654528
Energy: 1.0054324196869533
Energy: 1.1270678889654528
Energy: 1.0061482738337773
Energy: 1.0548522523078814
Energy: 1.1228031858965288
Energy: 1.0548522523078814
Energy: 1.122272734586632
Energy: 1.0799952843775302
Energy: 1.0077721283579741
Energy: 1.0799952843768126
Energy: 1.0042481985140337
Energy: 1.0625047504219498
Energy: 1.073091981665189
Energy: 1.0625047504205143
Energy: 1.1083185589164175
Energy: 1.1720472575789993
Energy: 1.104954257774502
Energy: 1.1720472575789993
Energy: 1.0774929902281174
Energy: 1.1148064365170984
Energy: 0.9973814528409409
Energy: 1.1148064365178163
Energy: 1.012253014494377
Energy: 1.1330625840622903
Energy: 0.9978845153608962
Energy: 1.1330625840630084
Energy: 1.2876521802368082
Energy: 1.073040412004686
Energy: 1.0012526824166377
Energy: 1.0730404120025328
Energy: 1.0117939952456336
Energy: 1.1567682388053457
Energy: 1.2144979993651221
Energy: 1.1567682388039102
Energy: 1.0611974216266478
Energy: 1.0060618818430676
Energy: 0.9965204028366702
Energy: 1.0060618818437852
Energy: 1.069531592025617
Energy: 1.1304581483400147
Energy: 1.1026473849979734
Energy: 1.1304581483400147
Energy: 1.0243937417887679
Energy: 1.1725002093794616
Energy: 1.1031938102057484
Energy: 1.172500209367977
Energy: 1.0588384089468594
Energy: 1.0055572323458422
Energy: 0.995878503967734
Energy: 1.0055572323458422
Energy: 1.0134531174723378
Energy: 1.1557829529171062
Energy: 1.2163615657996891
Energy: 1.1557829529178238
Energy: 1.2190070568225972
Energy: 1.0723683938809745
Energy: 1.0007336925965165
Energy: 1.0723683938816597
Energy: 1.0140298304676956
Energy: 1.0559238730913083
Energy: 0.9968247018782574
Energy: 1.055923873088437
Energy: 1.014104031408417
Energy: 1.118811132018014
Energy: 0.9964317497762866
Energy: 1.1188111320172964
Energy: 1.112189022255389
Energy: 1.1743493169006347
Energy: 1.103179510523186
Energy: 1.174349316903506
Energy: 1.008319691679496
Energy: 1.1562377934712935
Energy: 1.2841651635986537
Energy: 1.1562377934712935

minimum gb energy = 0.995878503967734 eV
minimum distance =  2.28420477885777 Angstroms
sigma value = 73


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

Energy: 1.0872706583432878
Energy: 1.083026355479687
Energy: 1.2777123162667774
Energy: 1.083026355479687
Energy: 1.0785911299134157
Energy: 1.095102925366176
Energy: 1.0151307019733433
Energy: 1.0951029253638984
Energy: 1.0101674065248523
Energy: 1.0134992834848222
Energy: 1.0122449071653818
Energy: 1.0134992834836836
Energy: 0.9977523043543272
Energy: 1.0200799125168885
Energy: 1.023630384860946
Energy: 1.0200799125157496
Energy: 1.0551803642395947
Energy: 1.0913732510934238
Energy: 1.023522881459555
Energy: 1.0913732510934238
Energy: 1.0208115220161098
Energy: 1.0151382896379975
Energy: 1.1777049956877572
Energy: 1.0151382896379975
Energy: 1.2720896270281745
Energy: 1.148589934731374
Energy: 1.0132493485861684
Energy: 1.148589934730235
Energy: 1.0039805781983182
Energy: 1.0109393997393592
Energy: 1.1907251297584982
Energy: 1.010939399740498
Energy: 1.233551689235276
Energy: 1.0120013125422085
Energy: 1.0142377066444999
Energy: 1.0120013125433471
Energy: 1.0109987965345637
Energy: 1.0812373701276863
Energy: 1.01125718071879
Energy: 1.0812373701288251
Energy: 1.0069767161039826
Energy: 1.0118488482953978
Energy: 1.179420571033971
Energy: 1.0118488482965367
Energy: 1.1304922464233236
Energy: 1.0202201504127153
Energy: 0.9981032588171668
Energy: 1.020220150413854
Energy: 1.022103219378572
Energy: 1.0771352096246556
Energy: 1.1888148038888686
Energy: 1.0771352096246556
Energy: 1.2132407500665745
Energy: 1.141054963786983
Energy: 1.0208047674949439
Energy: 1.141054963786983
Energy: 1.0064086229404183
Energy: 1.1632359541543618
Energy: 1.1815978179950126
Energy: 1.1632359541555006
Energy: 1.180102935785886
Energy: 1.0113736076254138
Energy: 1.00410537453714
Energy: 1.0113736076254138
Energy: 1.0772232865902043
Energy: 1.0772747991521665
Energy: 1.0101187782081764
Energy: 1.0772747991521665
Energy: 1.078326410623967
Energy: 1.0207161062669072
Energy: 1.0102050566884158
Energy: 1.0207161062680459
Energy: 1.0085797248932884
Energy: 1.0116532846304216
Energy: 1.002911527472172
Energy: 1.0116532846292827
Energy: 1.0150680311788765
Energy: 1.1000848010281388
Energy: 1.2225145359250977
Energy: 1.1000848010270001
Energy: 1.2035929982301188
Energy: 1.011011073071959
Energy: 1.02177219646099
Energy: 1.0110110730730977
Energy: 1.0234457279455083
Energy: 1.0914473464436754
Energy: 1.133678320200366
Energy: 1.091447346445953

minimum gb energy = 0.9977523043543272 eV
minimum distance =  2.28857192037182 Angstroms
sigma value = 7


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

Energy: 1.0407973513373727
Energy: 1.039295296602752
Energy: 1.2984564913346541
Energy: 1.0392952965979203
Energy: 1.2458476533693377
Energy: 1.0758370974396672
Energy: 1.017715837675584
Energy: 1.0758370974372513
Energy: 1.0112669107863552
Energy: 1.0390134188382756
Energy: 1.0348350104910922
Energy: 1.0390134188414966
Energy: 1.0345784178481436
Energy: 1.097810206040899
Energy: 1.0173468702791146
Energy: 1.0978102060400936
Energy: 1.0117767613177542
Energy: 1.0791757520536371
Energy: 1.0318567719589942
Energy: 1.079175752051221
Energy: 1.009512267329053
Energy: 1.039934674610605
Energy: 1.2129648228458396
Energy: 1.0399346746089946
Energy: 1.1358921586733377
Energy: 1.1230912057300462
Energy: 1.0266902250992462
Energy: 1.1230912057316567
Energy: 1.009534384823954
Energy: 1.0395030463900472
Energy: 1.244890067479836
Energy: 1.0395030463868262
Energy: 1.1417978778067959
Energy: 1.08659149317539
Energy: 1.01898332489129
Energy: 1.0865914931794163
Energy: 1.0101460078106135
Energy: 1.101887916682297
Energy: 1.1218206962381994
Energy: 1.101887916682297
Energy: 1.0360596949498597
Energy: 1.042037648530771
Energy: 1.0354595646020361
Energy: 1.0420376485693874
Energy: 1.045085836858615
Energy: 1.0794070159290732
Energy: 1.0360924606612312
Energy: 1.0794070159339049
Energy: 1.0417505213416185
Energy: 1.0395423513306634
Energy: 1.0367059981106013
Energy: 1.0395423513282478
Energy: 1.0346500659255875
Energy: 1.034440183013668
Energy: 1.035392498084969
Energy: 1.034440183013668
Energy: 1.008698530999615
Energy: 1.182911482799037
Energy: 1.1435189926013716
Energy: 1.182911482801453
Energy: 1.2980509421797337
Energy: 1.0341966669374378
Energy: 1.0207334805815258
Energy: 1.034196666940659
Energy: 1.0084994109157428
Energy: 1.0790832127805083
Energy: 1.0685160894688146
Energy: 1.079083212782924
Energy: 1.02703548429315
Energy: 1.1754835244079118
Energy: 1.035875574738969
Energy: 1.1754835244095225
Energy: 1.0088679978991302
Energy: 1.0394191026460233
Energy: 1.0362191621918635
Energy: 1.0394191026524657
Energy: 1.009890820236375
Energy: 1.0808120347984664
Energy: 1.03620881637886
Energy: 1.0808120347984664
Energy: 1.0362460001232259
Energy: 1.1786556968335846
Energy: 1.0188106851487673
Energy: 1.178655696831974
Energy: 1.0096772827149996
Energy: 1.0391308216545119
Energy: 1.1246371426840187
Energy: 1.039130821651291
Energy: 1.2267612800719456
Energy: 1.086845605005603
Energy: 1.0266315772164674
Energy: 1.0868456050031874
Energy: 1.0405100354171235
Energy: 1.0397329187230664
Energy: 1.2123927926579698
Energy: 1.0397329187214561
Energy: 1.0434478261371785
Energy: 1.081041173023756
Energy: 1.0267663644551164
Energy: 1.0810411730293927
Energy: 1.034709722444427
Energy: 1.0386987132635581
Energy: 1.0349219974093187
Energy: 1.0386987132667793
Energy: 1.0119505711815089
Energy: 1.099700688799385
Energy: 1.0269569545566055
Energy: 1.0997006888033747
Energy: 1.0344475220044662
Energy: 1.0786964313722323
Energy: 1.0174136012257942
Energy: 1.0786964313706218
Energy: 1.010833794181451
Energy: 1.039974329387949
Energy: 1.1197419301110503
Energy: 1.0399743293927808
Energy: 1.0489237865673122
Energy: 1.033917829760332
Energy: 1.0176809361725578
Energy: 1.0339178297619425
Energy: 1.0106791900015686
Energy: 1.0401349524433365
Energy: 1.1899288616052046
Energy: 1.0401349524425312

minimum gb energy = 1.0084994109157428 eV
minimum distance =  2.28322014356579 Angstroms
sigma value = 29


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

Energy: 0.99807090208299
Energy: 0.9868700590652206
Energy: 0.9698491841473632
Energy: 0.9868700590646599
Energy: 0.9663922841147475
Energy: 1.0003784961994793
Energy: 0.9839301636235935
Energy: 1.0003784961994793
Energy: 0.9703684045194167
Energy: 1.0538920106839076
Energy: 1.0832123737707111
Energy: 1.0538920106836271
Energy: 0.9992355899366914
Energy: 0.9668848564297142
Energy: 0.985894107083069
Energy: 0.9668848564299636
Energy: 0.9984823504420207
Energy: 1.0276955628584492
Energy: 0.9686611272123082
Energy: 1.0276955628584492
Energy: 0.9860035560089905
Energy: 1.0485268799044172
Energy: 0.9855659246802405
Energy: 1.0485268799038565
Energy: 0.9698631335807356
Energy: 1.0277057366447362
Energy: 0.9985616492923672
Energy: 1.0277057366447362
Energy: 0.9833918274958342
Energy: 0.96688144426874
Energy: 0.9990745544005349
Energy: 0.9668814442690203
Energy: 1.0829701845684658
Energy: 1.0540328067868205
Energy: 0.9731257727588553
Energy: 1.054032806787101

minimum gb energy = 0.9663922841147475 eV
minimum distance =  2.32441833004931 Angstroms
sigma value = 5


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

Energy: 0.9592268421502247
Energy: 0.979493443412003
Energy: 1.0975671224304027
Energy: 0.9794934434112423
Energy: 1.096276968142587
Energy: 0.9962164094412553
Energy: 0.925712905249682
Energy: 0.9962164094420161
Energy: 0.9325504315672598
Energy: 0.9715874068874204
Energy: 1.1034042725902953
Energy: 0.9715874068874204
Energy: 0.924822941474908
Energy: 1.0115170352207745
Energy: 0.9360533049822471
Energy: 1.0115170352207745
Energy: 0.9422259135738607
Energy: 1.01983891279962
Energy: 1.1067900286183934
Energy: 1.019838912797338
Energy: 0.9731157322804257
Energy: 0.9820958127245988
Energy: 0.9248072749364895
Energy: 0.9820958127238381
Energy: 0.9314298997078434
Energy: 1.0174521312168245
Energy: 0.9425988496144404
Energy: 1.0174521312168245
Energy: 0.9287122740393243
Energy: 0.9839409314557022
Energy: 0.9366480780123443
Energy: 0.9839409314557022
Energy: 0.9428227331120481
Energy: 1.0176753557353637
Energy: 0.9458489979353045
Energy: 1.0176753557346032
Energy: 0.9388820815811532
Energy: 1.0173002592170375
Energy: 0.9260291235817564
Energy: 1.0173002592170375
Energy: 0.9507161468833317
Energy: 0.9829854103372231
Energy: 0.9356263055270359
Energy: 0.9829854103379838
Energy: 0.9354985811580484
Energy: 1.0315604203532889
Energy: 0.9841092085805584
Energy: 1.0315604203517676
Energy: 0.9736790928506418
Energy: 0.980205505460287
Energy: 0.9792470304527522
Energy: 0.9802055054618083
Energy: 0.943174290240624
Energy: 0.980999860051443
Energy: 0.9825854550365094
Energy: 0.9809998600506824
Energy: 1.1196471599080458
Energy: 1.013007531223216
Energy: 0.9355020802707159
Energy: 1.0130075312224553
Energy: 0.9396314047200801
Energy: 0.9713003041374003
Energy: 0.952885924730113
Energy: 0.971300304138161
Energy: 1.1140652408010319
Energy: 1.033659248962895
Energy: 0.9253691772751509
Energy: 1.0336592489621346
Energy: 0.9444024067417306
Energy: 0.9803774374732935
Energy: 1.0357571526440426
Energy: 0.9803774374717722
Energy: 0.9309590161177481
Energy: 1.0184840504570867
Energy: 0.9257839651134716
Energy: 1.0184840504570867
Energy: 0.9325384038132999
Energy: 1.014488496546149
Energy: 0.9628860942881955
Energy: 1.014488496546149
Energy: 0.9240566555027756
Energy: 0.9818643291349848
Energy: 0.9369178284795427
Energy: 0.9818643291349848
Energy: 0.9433008502153557
Energy: 1.0180779691599304
Energy: 0.946618656698697
Energy: 1.0180779691576485
Energy: 0.9252444807880643
Energy: 0.9831835085468918
Energy: 0.9237926794077058
Energy: 0.9831835085468918
Energy: 0.995494099909795
Energy: 0.9780587633525996
Energy: 0.9324938656189292
Energy: 0.978058763354121
Energy: 0.988944989263648
Energy: 0.967638301997566
Energy: 0.9256556857394171
Energy: 0.9676383019968053
Energy: 0.9674512049959432
Energy: 0.9810314456115946
Energy: 0.9427800123454039
Energy: 0.9810314456115946
Energy: 0.930739826556363
Energy: 1.0043721373134058
Energy: 0.9544318628250973
Energy: 1.0043721373134058
Energy: 0.9825373341127349
Energy: 1.000460858448115
Energy: 0.9398093646532028
Energy: 1.000460858448115
Energy: 0.9355272050832639
Energy: 0.996573951914695
Energy: 1.1172407738355572
Energy: 0.9965739519139343
Energy: 1.0464780972254228
Energy: 0.9800716185468715
Energy: 0.9443463700168414
Energy: 0.98007161854535
Energy: 0.9310276134932836
Energy: 0.9527248881108981
Energy: 1.0461903109408874
Energy: 0.9527248881116587
Energy: 1.1106054830936394
Energy: 0.9974717928961668
Energy: 0.9322614383291555
Energy: 0.9974717928969276
Energy: 0.9363362097315244
Energy: 0.9823642674741573
Energy: 0.9263803057842727
Energy: 0.9823642674741573

minimum gb energy = 0.9237926794077058 eV
minimum distance =  2.28528731316921 Angstroms
sigma value = 1


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

Energy: 1.0577687321182885
Energy: 0.9334936822737725
Energy: 1.0793467010558362
Energy: 0.933493682275876
Energy: 0.965882649559198
Energy: 0.9850888513562178
Energy: 0.8868036843699986
Energy: 0.9850888513541144
Energy: 0.8935764915429291
Energy: 0.9351928701529846
Energy: 1.0573033879683533
Energy: 0.9351928701519328
Energy: 0.8976236992552609
Energy: 0.9837852282312212
Energy: 0.9099970286707911
Energy: 0.983785228232273
Energy: 0.8781450292691101
Energy: 1.0199805591595268
Energy: 1.10676222736309
Energy: 1.0199805591595268
Energy: 0.8760569809388461
Energy: 0.9382472629017323
Energy: 0.910013679545627
Energy: 0.938247262898577
Energy: 0.8928463710417255
Energy: 1.0228662452787516
Energy: 0.9218140257262096
Energy: 1.0228662452776998
Energy: 0.8938477113879134
Energy: 0.9381118736679146
Energy: 0.9241238241254536
Energy: 0.9381118736668628
Energy: 0.9340843722181258
Energy: 0.9363285877122334
Energy: 0.9311584894243569
Energy: 0.9363285877132851
Energy: 0.9341316003793254
Energy: 0.9284419608453555
Energy: 0.9242379408471734
Energy: 0.928441960847459
Energy: 0.8899405791639019
Energy: 0.93813516295047
Energy: 0.9191253454053476
Energy: 0.9381351629525735
Energy: 0.8938566316652031
Energy: 1.0195214998111781
Energy: 0.9345149311454412
Energy: 1.0195214998111781
Energy: 0.8749869258995958
Energy: 0.9386133866354716
Energy: 0.9101516591677684
Energy: 0.9386133866344197
Energy: 0.8768759337129107
Energy: 0.9340692441614431
Energy: 0.9354527325073164
Energy: 0.9340692441614431
Energy: 0.9225741868647276
Energy: 0.9864993792488445
Energy: 0.9097686662217002
Energy: 0.9864993792498963
Energy: 0.8936014280777987
Energy: 0.9352800389824932
Energy: 0.9214017065564458
Energy: 0.9352800389845968
Energy: 1.0413255537653021
Energy: 0.9480714283255665
Energy: 0.8872770467873411
Energy: 0.9480714283255665
Energy: 1.0577687321182885
Energy: 0.9334936822727207
Energy: 1.0922082114960665
Energy: 0.9334936822737725
Energy: 0.9658826495444733
Energy: 0.9850888513562178
Energy: 0.8868036843699986
Energy: 0.9850888513562178
Energy: 0.8935764915439809
Energy: 0.9351928701540363
Energy: 1.0573033879673015
Energy: 0.9351928701529846
Energy: 0.8976236992531573
Energy: 0.9837852282312212
Energy: 0.9099970286707911
Energy: 0.9837852282301693
Energy: 0.8781450292701619
Energy: 1.0199805591595268
Energy: 1.1067622273662452
Energy: 1.019980559158475
Energy: 0.8760569809377943
Energy: 0.9382472629006805
Energy: 0.9100136795466787
Energy: 0.9382472628996288
Energy: 0.8928463710417255
Energy: 1.0228662452798034
Energy: 0.9386292257109198
Energy: 1.0228662452787516

minimum gb energy = 0.8749869258995958 eV
minimum distance =  2.29411446189295 Angstroms
sigma value = 17


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

Energy: 0.9232436358083768
Energy: 0.9216088942886567
Energy: 1.153068596042024
Energy: 0.9216088942893068
Energy: 1.0423855098476498
Energy: 0.9077478091814014
Energy: 0.8886412201486363
Energy: 0.9077478091794513
Energy: 0.8845915671193644
Energy: 0.9109023052162636
Energy: 1.1079055617894722
Energy: 0.9109023052156136
Energy: 0.9205678182916902
Energy: 0.8822137166503874
Energy: 0.8796913079413204
Energy: 0.8822137166510375
Energy: 0.8776908722220665
Energy: 0.9770653245446689
Energy: 0.8981562610593662
Energy: 0.9770653245453189
Energy: 0.8742831880239845
Energy: 0.8920148434901577
Energy: 0.8965006235720431
Energy: 0.8920148434901577
Energy: 0.8898756042314708
Energy: 0.9615391802804167
Energy: 0.9136768015475986
Energy: 0.9615391802810669
Energy: 0.875453255790396
Energy: 0.9514153265104863
Energy: 0.879632733221961
Energy: 0.9514153265111364
Energy: 0.9248808489000193
Energy: 1.0732841881951702
Energy: 0.8993022950503841
Energy: 1.0732841881951702
Energy: 0.9219337485168332
Energy: 0.9466168946240667
Energy: 0.8875054636532898
Energy: 0.9466168946247168
Energy: 0.8847137255510767
Energy: 0.9257736160205676
Energy: 0.8845369559584919
Energy: 0.9257736160199175
Energy: 0.8873128381003396
Energy: 0.9530115479583132
Energy: 0.878755139148508
Energy: 0.9530115479583132
Energy: 0.8725666503367194
Energy: 0.9399322552487102
Energy: 0.8876875094633305
Energy: 0.9399322552467598
Energy: 0.8843211925252654
Energy: 0.9758102700620944
Energy: 0.9406562768933775
Energy: 0.9758102700620944
Energy: 0.8732734441455461
Energy: 0.8855557643461701
Energy: 0.9296441207705691
Energy: 0.8855557643481203
Energy: 0.8844983935094817
Energy: 0.9123378890081567
Energy: 0.8973390112306626
Energy: 0.9123378890088069
Energy: 0.9026160700861336
Energy: 0.885645906397122
Energy: 0.8875352240344584
Energy: 0.885645906395822
Energy: 0.8804803768147533
Energy: 0.9224292272939092
Energy: 0.889997750291041
Energy: 0.9224292272958595
Energy: 1.0285194386851897
Energy: 0.9553634357001473
Energy: 0.8863717844587973
Energy: 0.9553634356981971
Energy: 0.8934569029782953
Energy: 0.9107415557042304
Energy: 0.9312929331463682
Energy: 0.9107415557042304
Energy: 0.8843475150081137
Energy: 0.9005072293118974
Energy: 0.8828721178020004
Energy: 0.900507229309297
Energy: 0.8811191428553752
Energy: 0.9235342314703252
Energy: 1.0372873140283052
Energy: 0.9235342314683749
Energy: 0.9080011873429383
Energy: 0.8901960315466503
Energy: 0.8947303638732679
Energy: 0.8901960315479506
Energy: 0.8849208869043416
Energy: 0.963244108426073
Energy: 1.0435483476671226
Energy: 0.9632441084241228
Energy: 0.9072034641034133
Energy: 0.922778918243593
Energy: 0.8817931989878747
Energy: 0.9227789182429429
Energy: 0.8798747810184278
Energy: 0.9778962435834158
Energy: 0.901767542165575
Energy: 0.9778962435827657
Energy: 1.0352278216591506
Energy: 0.9393425464722037
Energy: 0.8854973608235213
Energy: 0.9393425464715537
Energy: 0.9332819518194991
Energy: 1.0564392004386054
Energy: 0.8730728625516013
Energy: 1.0564392004412055
Energy: 0.9366360546847798
Energy: 0.9756841281552354
Energy: 0.8788197817314438
Energy: 0.9756841281552354
Energy: 0.8796995919352959
Energy: 0.9389057793690421
Energy: 0.9241092860757343
Energy: 0.9389057793742428
Energy: 0.8877694454102372
Energy: 0.9756235832620721
Energy: 0.8907755567628869
Energy: 0.9756235832588217
Energy: 0.8729386430978374
Energy: 1.0534377720844035
Energy: 0.8816952240367144
Energy: 1.053437772079853
Energy: 0.8858453211670131
Energy: 0.9472576316933394
Energy: 1.0613307599674926
Energy: 0.9472576316946395
Energy: 0.9243960880387049
Energy: 1.072369259511193
Energy: 0.8946988559849388
Energy: 1.072369259511193
Energy: 0.8816337320041941
Energy: 0.9235179887751357
Energy: 0.9129609460097788
Energy: 0.9235179887725353
Energy: 0.9433755502412616
Energy: 0.9628494721173833
Energy: 0.8880772132501413
Energy: 0.9628494721193336
Energy: 0.8947724114835512
Energy: 0.8917418890869376
Energy: 0.8766478949134763
Energy: 0.8917418890849873
Energy: 0.8978213852018946
Energy: 0.9784552036849496
Energy: 0.8812155783021309
Energy: 0.9784552036842995

minimum gb energy = 0.8725666503367194 eV
minimum distance =  2.28907994758282 Angstroms
sigma value = 89


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

Energy: 0.8128089408498812
Energy: 0.8123343644110202
Energy: 1.168643777182385
Energy: 0.8123343644093192
Energy: 0.8209435159152201
Energy: 0.8397618191181555
Energy: 0.8222507396399864
Energy: 0.8397618191181555
Energy: 0.8209086858275644
Energy: 0.9569523038566276
Energy: 1.3624934324401061
Energy: 0.9569523038549266
Energy: 0.8061946608243399
Energy: 0.8397375617645922
Energy: 0.8223053256379685
Energy: 0.8397375617645922
Energy: 0.8218480141372588
Energy: 0.8915881551315988
Energy: 0.8149580567513172
Energy: 0.8915881551315988
Energy: 0.8134590992587886
Energy: 0.8137125303636723
Energy: 0.8167717255620787
Energy: 0.8137125303636723
Energy: 0.8212195570067291
Energy: 0.9569714595379989
Energy: 0.8129091506444429
Energy: 0.9569714595379989
Energy: 0.8145078332725787
Energy: 0.9561493449879418
Energy: 0.8223264732024308
Energy: 0.9561493449879418
Energy: 0.8237401194890596
Energy: 0.8919037369126415
Energy: 0.8074681806948553
Energy: 0.8919037369126415
Energy: 0.8408343641945751
Energy: 0.8883031726927455
Energy: 0.8150821401535164
Energy: 0.8883031726910445
Energy: 0.8120249514698908
Energy: 0.8405388115415658
Energy: 0.8207733239836508
Energy: 0.8405388115415658
Energy: 0.8121893547541185
Energy: 0.9584041491688048
Energy: 0.8221164765564013
Energy: 0.9584041491688048
Energy: 0.8231105020553491
Energy: 0.8150947277043474
Energy: 0.8124851913910887
Energy: 0.8150947277043474
Energy: 0.815512185624218
Energy: 0.8898334568378076
Energy: 0.8153185182722775
Energy: 0.8898334568378076
Energy: 0.8082773303034017
Energy: 0.8151889407198227
Energy: 0.8229084330097751
Energy: 0.8151889407198227

minimum gb energy = 0.8061946608243399 eV
minimum distance =  2.31490137267331 Angstroms
sigma value = 13


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

Energy: 0.8048512182579515
Energy: 0.7732855859107522
Energy: 0.9789447759519929
Energy: 0.7732855859086135
Energy: 0.9472147364362151
Energy: 0.7925519294060652
Energy: 0.7679942015192995
Energy: 0.7925519294074911
Energy: 0.7747627285537265
Energy: 0.7736245057160308
Energy: 1.145353997922994
Energy: 0.7736245057174567
Energy: 0.7782817114498889
Energy: 0.7925666069805171
Energy: 0.7637929185425563
Energy: 0.7925666069748136
Energy: 0.7834926879688994
Energy: 0.8328088782329828
Energy: 0.7787471165023138
Energy: 0.8328088782329828
Energy: 0.7752468119518724
Energy: 0.7934607266990031
Energy: 0.7857893589963892
Energy: 0.7934607267032807
Energy: 0.7832452426926316
Energy: 0.8336818371832936
Energy: 0.8026873151023515
Energy: 0.8336818371754514
Energy: 0.7679358473002896
Energy: 0.7928168446947551
Energy: 0.7858226951042802
Energy: 0.7928168446926162
Energy: 0.7835288438573722
Energy: 0.8337705298387281
Energy: 0.9193941145130191
Energy: 0.8337705298351635
Energy: 0.9314221003201205
Energy: 0.8496973334235521
Energy: 0.7641248276663769
Energy: 0.8496973334321071
Energy: 0.7835526233836666
Energy: 0.8510839828665122
Energy: 0.7669374092002761
Energy: 0.8510839828629475
Energy: 1.041535083840856
Energy: 0.8499392115842435
Energy: 0.7631898158183474
Energy: 0.8499392115778271
Energy: 0.8132673277136011
Energy: 0.7884453079173802
Energy: 0.7683859460664407
Energy: 0.7884453079180931
Energy: 1.0817858572124295
Energy: 0.8502211012572384
Energy: 0.7634266613677045
Energy: 0.850221101260803
Energy: 0.7793707046594327
Energy: 0.773594104506483
Energy: 0.7683888372725496
Energy: 0.7735941045079088
Energy: 0.7954622572387119
Energy: 0.850790736860434
Energy: 0.7671155404024325
Energy: 0.8507907368590081
Energy: 0.7866958291534799
Energy: 0.8288120174205853
Energy: 0.7676970905442866
Energy: 0.8288120174205853
Energy: 0.7806752096701367
Energy: 0.8313989865199769
Energy: 0.7941333958508441
Energy: 0.8313989865214028
Energy: 0.786709441661514
Energy: 0.7888499976808587
Energy: 0.794580298530803
Energy: 0.7888499976801459
Energy: 0.7866523249662424
Energy: 0.7888111492608952
Energy: 0.7939767181531718
Energy: 0.7888111492623212
Energy: 0.7808536360812081
Energy: 0.8314602485621931
Energy: 0.7937017828494594
Energy: 0.8314602485607673
Energy: 0.7869818700395317
Energy: 0.8287961238157459
Energy: 0.7677265827143608
Energy: 0.828796123815033
Energy: 0.7948834161928191
Energy: 0.8506767505891423
Energy: 0.7673429084272201
Energy: 0.8506767505862907
Energy: 0.7812811470766711
Energy: 0.7735210076483742
Energy: 0.7677840868816014
Energy: 0.7735210075899147
Energy: 1.0819214979373024
Energy: 0.8502370585918119
Energy: 0.763422833191933
Energy: 0.8502370585932377
Energy: 0.8131233424861201
Energy: 0.7883652460001205
Energy: 0.7670171246782147
Energy: 0.788365246004398
Energy: 1.0417827443922478
Energy: 0.8497353242142338
Energy: 0.763238049117052
Energy: 0.8497353242156597
Energy: 0.7834236817246162
Energy: 0.8510694961397086
Energy: 0.7665054602761987
Energy: 0.8510694961382828
Energy: 0.9313332663372751
Energy: 0.8497909822812788
Energy: 0.7641292359937144
Energy: 0.8497909822777141
Energy: 0.7833504533687282
Energy: 0.8338215985490123
Energy: 0.9254448963685376
Energy: 0.833821598542596
Energy: 0.7706605282853043
Energy: 0.7927173518131012
Energy: 0.7858460915035377
Energy: 0.7927173518116755
Energy: 0.7833448279656008
Energy: 0.8339402591167308
Energy: 1.0413994804294495
Energy: 0.8339402591088885
Energy: 0.7755149550138446
Energy: 0.7935077168391679
Energy: 0.7857425037793971
Energy: 0.7935077168391679
Energy: 0.7834866957195927
Energy: 0.8328574380244381
Energy: 1.0492646646197157
Energy: 0.8328574380251511
Energy: 0.7783280745796509
Energy: 0.7926426210373324
Energy: 0.7639313884507971
Energy: 0.7926426210423229

minimum gb energy = 0.7631898158183474 eV
minimum distance =  2.32677418031692 Angstroms
sigma value = 37


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

Energy: 0.8733567220643039
Energy: 0.7588263246725175
Energy: 0.7122428719236616
Energy: 0.7588263246725175
Energy: 0.8514784612969986
Energy: 0.7357434840417685
Energy: 0.7065877080681243
Energy: 0.7357434840417685
Energy: 0.7300677983537267
Energy: 0.8316493074454729
Energy: 1.0000004426393674
Energy: 0.8316493074454729
Energy: 0.8204227156053217
Energy: 0.7359337044517702
Energy: 0.7142026930588469
Energy: 0.7359337044505436
Energy: 0.7118195959028099
Energy: 0.7355350821561976
Energy: 0.7342080828284498
Energy: 0.735535082154971
Energy: 0.7095139891555421
Energy: 0.7355673264001266
Energy: 0.831820076311001
Energy: 0.7355673264001266
Energy: 0.7222141710886075
Energy: 0.7797670397976476
Energy: 1.0645795144334294
Energy: 0.779767039796421
Energy: 0.6959504270582115
Energy: 0.7364724759342368
Energy: 0.7392062327830464
Energy: 0.7364724759342368
Energy: 0.7069891719515323
Energy: 0.7367573624405227
Energy: 0.9456407867889904
Energy: 0.7367573624405227
Energy: 1.001341959472833
Energy: 0.8201986327054259
Energy: 0.8318102596472793
Energy: 0.8201986327054259
Energy: 0.72553691440023
Energy: 0.7978743399036851
Energy: 0.823041593392802
Energy: 0.7978743400949442
Energy: 1.0032733057216499
Energy: 0.7359470874001851
Energy: 0.714250400573921
Energy: 0.7359470873989585
Energy: 0.8340064697504495
Energy: 0.7355850064147883
Energy: 0.8136647071318784
Energy: 0.7355850064147883
Energy: 1.0650769869574626
Energy: 0.77121899886297
Energy: 0.7009967678754779
Energy: 0.77121899886297
Energy: 0.8727677127007899
Energy: 0.7716617188606093
Energy: 0.6972247560382426
Energy: 0.7716617188618358
Energy: 0.8731325751246694
Energy: 0.7361071556390641
Energy: 0.7063461601970401
Energy: 0.7361071556390641
Energy: 0.8341257774560603
Energy: 0.8211936856609112
Energy: 0.6974336363820764
Energy: 0.8211936856621377
Energy: 0.8208261775718252
Energy: 0.8813575629763345
Energy: 0.7114853115347334
Energy: 0.8813575629787875
Energy: 0.7117679393225108
Energy: 0.7374250471767844
Energy: 0.7083379868652431
Energy: 0.7374250471755578
Energy: 0.7082916154615839
Energy: 0.7361907943125526
Energy: 0.8312693398952593
Energy: 0.7361907943174589

minimum gb energy = 0.6959504270582115 eV
minimum distance =  2.33206816172237 Angstroms
sigma value = 25


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

Energy: 0.6770052115329178
Energy: 0.6385226264446513
Energy: 1.1093030811633433
Energy: 0.6385226264436936
Energy: 0.8348711755560255
Energy: 0.6545933079307702
Energy: 0.6421431439131849
Energy: 0.6545933079307702
Energy: 0.6362837255360116
Energy: 0.6358244332239359
Energy: 0.8728911497358262
Energy: 0.6358244332229782
Energy: 0.6394672662648425
Energy: 0.6549416271848896
Energy: 0.6416839612086318
Energy: 0.6549416271801006
Energy: 0.6412648444683149
Energy: 0.6547683343341139
Energy: 0.6193532438418888
Energy: 0.6547683343312405
Energy: 0.6156389259478308
Energy: 0.6553365191431686
Energy: 0.641904954697505
Energy: 0.6553365191431686
Energy: 0.6414397691919832
Energy: 0.6360786697737456
Energy: 0.6399216937726687
Energy: 0.6360786697737456
Energy: 0.612981718852838
Energy: 0.6763881762781865
Energy: 0.6373925933440274
Energy: 0.6763881762791443
Energy: 0.6412652709821456
Energy: 0.6547444820376421
Energy: 0.8355503279297782
Energy: 0.6547444820385997
Energy: 0.6157890948449931
Energy: 0.6383242048796663
Energy: 0.6782265759586118
Energy: 0.6383242048662575
Energy: 0.6414626270623868
Energy: 0.6362489686248443
Energy: 1.0159363667829235
Energy: 0.6362489686248443
Energy: 0.8667946636377577
Energy: 0.7486966256652048
Energy: 0.6374753805046346
Energy: 0.7486966256623315
Energy: 0.64096463870566
Energy: 0.6548370463988201
Energy: 0.8161313806120987
Energy: 0.654837046399778
Energy: 0.8559719829805316
Energy: 0.7028106101880964
Energy: 0.641157620198802
Energy: 0.7028106101880964
Energy: 0.6416288838902586
Energy: 0.636101537441713
Energy: 0.6161484670213762
Energy: 0.636101537441713
Energy: 0.8482945824795599
Energy: 0.748104877103431
Energy: 0.6448834597664286
Energy: 0.7481048771063044
Energy: 0.641381621442592
Energy: 0.6763539421993535
Energy: 0.613115286385213
Energy: 0.6763539421983957
Energy: 0.8441047132018551
Energy: 0.6546043330217849
Energy: 0.6417934933533694
Energy: 0.6546043330208272
Energy: 0.6812511757073849
Energy: 0.6358971754751489
Energy: 0.616893492570748
Energy: 0.6358971754751489
Energy: 1.0120522620280787
Energy: 0.7456834992906077
Energy: 0.6446338799035294
Energy: 0.7456834992886923
Energy: 0.6409585112293792
Energy: 0.744038470662271
Energy: 0.6233548932595887
Energy: 0.7440384706632288
Energy: 0.6359294217797831
Energy: 0.6549196281715428
Energy: 0.6396429149435626
Energy: 0.654919628170585
Energy: 0.6414684943909927
Energy: 0.7026691890349065
Energy: 0.8614926441339891
Energy: 0.7026691890358644
Energy: 0.6185981400882197
Energy: 0.7460408474990382
Energy: 0.6443928106095778
Energy: 0.7460408474990382
Energy: 0.6397480355215017
Energy: 0.7444932263176478
Energy: 0.8494730983022439
Energy: 0.7444932263176478
Energy: 0.6154754801050495
Energy: 0.6765092958936056
Energy: 0.6422442696798181
Energy: 0.6765092958936056

minimum gb energy = 0.612981718852838 eV
minimum distance =  2.33440559926071 Angstroms
sigma value = 41


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

Energy: 0.8973008133839492
Energy: 0.5926300946326093
Energy: 1.0254509404991003
Energy: 0.5926300946333946
Energy: 0.9040753031241907
Energy: 0.5790038866034176
Energy: 0.5713900978711265
Energy: 0.5790038865955653
Energy: 0.5913174756726369
Energy: 0.5690144388880064
Energy: 0.5560483054151372
Energy: 0.5690144388872213
Energy: 0.742197259010847
Energy: 0.5794807270247124
Energy: 0.5713470188018257
Energy: 0.5794807270247124
Energy: 0.5677271350383174
Energy: 0.6083467292651374
Energy: 0.5608756806357441
Energy: 0.6083467292620321
Energy: 0.5778727504599731
Energy: 0.5797667398482956
Energy: 0.5713223289447197
Energy: 0.5797667398490809
Energy: 0.5706501699256499
Energy: 0.5793192666776714
Energy: 0.5770440878263002
Energy: 0.5793192666706043
Energy: 0.5567260825575372
Energy: 0.5919244126333493
Energy: 0.5687129352847915
Energy: 0.5919244126333493
Energy: 0.5735391353707129
Energy: 0.5925046916111891
Energy: 0.7414819038428326
Energy: 0.5925046916104039
Energy: 0.5551033998402735
Energy: 0.569512892211983
Energy: 0.5921925357030531
Energy: 0.569512892211983
Energy: 0.5706826711541598
Energy: 0.5792231287021723
Energy: 1.028625673437601
Energy: 0.5792231287021723
Energy: 0.5568713372949651
Energy: 0.5929261462426554
Energy: 0.8974972424100227
Energy: 0.5929261462442258
Energy: 0.573431595379773
Energy: 0.5948835942676688
Energy: 1.0273988103912077
Energy: 0.5948835942676688
Energy: 0.7691988948408233
Energy: 0.648882035879131
Energy: 0.5924036733060251
Energy: 0.6488820358814865
Energy: 0.5706594743802789
Energy: 0.579191754330953
Energy: 0.8931524800930775
Energy: 0.5791917543325235
Energy: 0.7716183088857731
Energy: 0.5936692395593732
Energy: 0.5685963949957964
Energy: 0.5936692395570176
Energy: 0.5734350183983714
Energy: 0.5925598495788664
Energy: 0.730562217675572
Energy: 0.5925598495788664
Energy: 0.7568502683920443
Energy: 0.6489134621940906
Energy: 0.5712821547572982
Energy: 0.6489134621909498
Energy: 0.570762601075934
Energy: 0.5918546763519432
Energy: 0.5568402999265258
Energy: 0.5918546763519432
Energy: 0.7590609518933114
Energy: 0.5933660400466207
Energy: 0.5763317370533507
Energy: 0.5933660400434798
Energy: 0.5944677217850368
Energy: 0.5928620089408951
Energy: 0.5551088664792303
Energy: 0.5928620089408951
Energy: 1.025974607559947
Energy: 0.6617748089849739
Energy: 0.571471274052273
Energy: 0.6617748089834035
Energy: 0.8982231581476847
Energy: 0.5919252023496967
Energy: 0.5565905423814652
Energy: 0.5919252023473409
Energy: 0.9103710124023814
Energy: 0.5928030146260185
Energy: 0.576635853480683
Energy: 0.5928030146950823
Energy: 0.5944808768221603
Energy: 0.6499964451386729
Energy: 0.5667480146923114
Energy: 0.6499964451378877
Energy: 0.8925961958010807
Energy: 0.6071626791209186
Energy: 0.5714814696626923
Energy: 0.6071626791232742
Energy: 0.5706786024238811
Energy: 0.5922048532242424
Energy: 0.7694788805546832
Energy: 0.592204853246193
Energy: 0.5715567111517473
Energy: 0.5917915410081934
Energy: 0.576648342981012
Energy: 0.5917915410050526
Energy: 0.5734915360725908
Energy: 0.6503770618738849
Energy: 0.7616522793051209
Energy: 0.6503770618746701
Energy: 0.5653116659529447
Energy: 0.6267539974406494
Energy: 0.5738974956759086
Energy: 0.6267539974430051
Energy: 0.5754806235465966
Energy: 0.5922107255251395
Energy: 0.7662752101747159
Energy: 0.5922107255259247
Energy: 0.556425205773304
Energy: 0.5923789523428011
Energy: 0.5978265385238867
Energy: 0.5923789523428011

minimum gb energy = 0.5551033998402735 eV
minimum distance =  2.32323281202106 Angstroms
sigma value = 15


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

Energy: 0.8831077780496751
Energy: 0.5438418803437131
Energy: 0.9418189340802021
Energy: 0.5438418803417173
Energy: 0.9836498272345164
Energy: 0.5355808662410332
Energy: 0.53462003039103
Energy: 0.535580866243694
Energy: 0.6234117837237456
Energy: 0.5412800614738027
Energy: 0.7915133055626854
Energy: 0.5412800614671508
Energy: 0.868915727095335
Energy: 0.5406953893124868
Energy: 0.5345430659716919
Energy: 0.5406953893091608
Energy: 0.6017325903122813
Energy: 0.5374613419253099
Energy: 0.5307969518846662
Energy: 0.5374613419319618
Energy: 0.8649573318814123
Energy: 0.5332585648854344
Energy: 0.5350916448540909
Energy: 0.5332585648774523
Energy: 0.5397974106388149
Energy: 0.5446288361595111
Energy: 0.5991027038228275
Energy: 0.5446288357945012
Energy: 0.7366720368773249
Energy: 0.5430367366280882
Energy: 0.5408392384744214
Energy: 0.5430367366240969
Energy: 0.5359019925491809
Energy: 0.545002073750428
Energy: 0.7393117277984901
Energy: 0.5450020737570798
Energy: 0.5967201760210465
Energy: 0.5420897532398363
Energy: 0.6019930930582444
Energy: 0.5420897532365103
Energy: 0.5340581541496953
Energy: 0.5340377837255555
Energy: 0.8689758510708573
Energy: 0.5340377837248904
Energy: 0.5275581337838534
Energy: 0.5411004622879834
Energy: 0.623822266038555
Energy: 0.5411004622873182
Energy: 0.535802197351236
Energy: 0.5517103661079058
Energy: 1.0933277647883115
Energy: 0.5517103661158882
Energy: 0.5261480856658044
Energy: 0.5418460366912693
Energy: 0.8096243312550186
Energy: 0.5418460366952603
Energy: 0.5340491878856648
Energy: 0.5352595226028785
Energy: 1.0361950918221918
Energy: 0.535259522601548
Energy: 0.6983132081410559
Energy: 0.5410726428691756
Energy: 0.6239810739209157
Energy: 0.5410726428678452
Energy: 0.5359805581606452
Energy: 0.551008119072405
Energy: 0.9767971391389217
Energy: 0.551008119072405
Energy: 0.7012941814179005
Energy: 0.5813423097882903
Energy: 0.6021353452601357
Energy: 0.5813423097836944
Energy: 0.5355743576838783
Energy: 0.5328010732645945
Energy: 0.8615342161488685
Energy: 0.5328010732692507
Energy: 0.7613135806616451
Energy: 0.5341336451078117
Energy: 0.5407631899863791
Energy: 0.5341336451091421
Energy: 0.5426586559152733
Energy: 0.5544527712210023
Energy: 0.7331687515339529
Energy: 0.5544527712223327
Energy: 0.764114480201417
Energy: 0.5433991298922056
Energy: 0.5378297885103753
Energy: 0.5433991298955315
Energy: 0.603415562763064
Energy: 0.5342252653970705
Energy: 0.5943009643375398
Energy: 0.5342252653957401
Energy: 1.012832748111115
Energy: 0.534178325984507
Energy: 0.5345413124918894
Energy: 0.5341783259838417
Energy: 0.6253375877899433
Energy: 0.5555138686332425
Energy: 0.5962613524013604
Energy: 0.5555138686351777
Energy: 0.990671645773239
Energy: 0.5429872208811615
Energy: 0.5378169153299376
Energy: 0.5429872208858177
Energy: 0.88231399114483
Energy: 0.5404264570589662
Energy: 0.5245916778668646
Energy: 0.5404264570330236
Energy: 1.0907312829593916
Energy: 0.5365159497539406
Energy: 0.5347681279884902
Energy: 0.5365159497526101
Energy: 0.6251598157625872
Energy: 0.6023401451948767
Energy: 0.5239353644658347
Energy: 0.602340145192881
Energy: 0.8747435880183427
Energy: 0.5508785257987953
Energy: 0.5382028470448937
Energy: 0.5508785258067777
Energy: 0.603490426655601
Energy: 0.5809415424634984
Energy: 0.7008583379456278
Energy: 0.5809415424734763
Energy: 0.8610161767536524
Energy: 0.5323778639106344
Energy: 0.5370890501070009
Energy: 0.5323778639126299
Energy: 0.5425280148783026
Energy: 0.6083267746616611
Energy: 0.7562896270657533
Energy: 0.6083267746643218
Energy: 0.6017474121716576
Energy: 0.5538461879930338
Energy: 0.5450802736629248
Energy: 0.5538461879983553
Energy: 0.5294816692756854
Energy: 0.5809199726565992
Energy: 0.7594921026654172
Energy: 0.5809199726572642
Energy: 0.5951973124532056
Energy: 0.5338448919281059
Energy: 0.6054974466744696
Energy: 0.533844891928771
Energy: 0.5358057864051082
Energy: 0.6024641657569524
Energy: 1.009178933711585
Energy: 0.6024641657629392

minimum gb energy = 0.5239353644658347 eV
minimum distance =  2.32958595469527 Angstroms
sigma value = 85


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

Energy: 0.8205792479205986
Energy: 0.5316577010819908
Energy: 0.6120008223744029
Energy: 0.5316577010831447
Energy: 0.9926604019412117
Energy: 0.5219467286099904
Energy: 0.48943694216317224
Energy: 0.5219467286099904
Energy: 0.7907053267872455
Energy: 0.5273574403109093
Energy: 0.4868941898806579
Energy: 0.5273574403120631
Energy: 0.9683166839044337
Energy: 0.5181667602968434
Energy: 0.4893782740384401
Energy: 0.5181667602991511
Energy: 0.5768455990381514
Energy: 0.4961741284353413
Energy: 0.4899462053354137
Energy: 0.49617412843591824
Energy: 0.8634309059393969
Energy: 0.5264859431012289
Energy: 0.4892612091352214
Energy: 0.5264859430983443
Energy: 0.5472069760424422
Energy: 0.5346452295040799
Energy: 0.5512338430308414
Energy: 0.534645229502926
Energy: 0.7573517613831594
Energy: 0.5166734075618107
Energy: 0.4970647368005119
Energy: 0.5166734075202983
Energy: 0.4961393802829865
Energy: 0.5021165629972358
Energy: 0.673853300257354
Energy: 0.5021165629949281
Energy: 0.6419009598178667
Energy: 0.5286854490275775
Energy: 0.547618199102249
Energy: 0.5286854490275775
Energy: 0.49057926688525477
Energy: 0.5172021739829658
Energy: 0.7878215437591591
Energy: 0.5172021739818119
Energy: 0.517900071794337
Energy: 0.522925574521635
Energy: 0.5772256463925828
Energy: 0.5229255745233657
Energy: 0.4889582602773669
Energy: 0.5010265944876623
Energy: 0.8904516522651462
Energy: 0.5010265944876623
Energy: 0.46197613954797245
Energy: 0.5275272604199882
Energy: 0.7909907906451941
Energy: 0.5275272604222959
Energy: 0.4907294651017583
Energy: 0.5173530242466012
Energy: 1.0713883618175506
Energy: 0.5173530242454474
Energy: 0.45581003990177266
Energy: 0.5205310019669313
Energy: 0.7572362986152573
Energy: 0.5205310019675082
Energy: 0.48897231699309657
Energy: 0.5023334884966738
Energy: 1.0192532974337798
Energy: 0.5023334884960967
Energy: 0.6051713338591864
Energy: 0.5275014568376298
Energy: 0.7909162467244455
Energy: 0.5275014568376298
Energy: 0.4904585837124519
Energy: 0.5181317946180318
Energy: 0.9679070832657318
Energy: 0.5181317946088011
Energy: 0.6110339602350229
Energy: 0.5203678527381178
Energy: 0.5771243496100334
Energy: 0.5203678527375409
Energy: 0.48984832639750286
Energy: 0.5093290107857966
Energy: 0.8631971155703799
Energy: 0.5093290107840659
Energy: 0.6654954459293234
Energy: 0.517325608167588
Energy: 0.5476930690863582
Energy: 0.5173256081687418
Energy: 0.4974059012240869
Energy: 0.5163955875225
Energy: 0.7573757673510905
Energy: 0.5163955875225
Energy: 0.6745484794046201
Energy: 0.536169276647999
Energy: 0.4971583495557314
Energy: 0.536169276647999
Energy: 0.549063533833704
Energy: 0.5182875089012295
Energy: 0.6418017105710659
Energy: 0.5182875089029603
Energy: 0.897522240713652
Energy: 0.5174494172870071
Energy: 0.49125898398514956
Energy: 0.517449417288161
Energy: 0.5787335075222012
Energy: 0.5164150984423475
Energy: 0.5179835744751742
Energy: 0.5164150984429243
Energy: 0.9084146295104508
Energy: 0.539473552534572
Energy: 0.4893844699124935
Energy: 0.5394735525311103
Energy: 0.7912562977184132
Energy: 0.5287830278226505
Energy: 0.5172846221444702
Energy: 0.5287830278313044
Energy: 1.0713887312595625
Energy: 0.5173407539077706
Energy: 0.49055171004865133
Energy: 0.5173407539106553
Energy: 0.8214938320553674
Energy: 0.5259848996240555
Energy: 0.45585691572714077
Energy: 0.5259848996269401
Energy: 0.9876338833358239
Energy: 0.5339024812098075
Energy: 0.489426656294025
Energy: 0.5339024812103844
Energy: 0.7913720583825861
Energy: 0.5285672858023359
Energy: 0.45751550963928644
Energy: 0.5285672858063482
Energy: 0.96798619578737
Energy: 0.5180144346380992
Energy: 0.49114021700343374
Energy: 0.51801443463983
Energy: 0.5785067432150637
Energy: 0.5162439687110273
Energy: 0.6107646300829952
Energy: 0.5162439687116042
Energy: 0.7727472307382238
Energy: 0.5436290736317857
Energy: 0.49122198351779556
Energy: 0.5436290739408595
Energy: 0.5491359758868427
Energy: 0.5175726038673643
Energy: 0.6655022396605186
Energy: 0.5175726038662104
Energy: 0.7573096218478
Energy: 0.5164027666751542
Energy: 0.49871906219927353
Energy: 0.5164027666797695
Energy: 0.49738084306575886
Energy: 0.5164688087860211
Energy: 0.6745960126124575
Energy: 0.5164688087900596
Energy: 0.5291889087552731
Energy: 0.5522348981956762
Energy: 0.5512621855200447
Energy: 0.5522348981968301
Energy: 0.49163909301476205
Energy: 0.517602036911835
Energy: 0.8976080487178869
Energy: 0.5176020369101041
Energy: 0.5179709803790515
Energy: 0.5162374936053623
Energy: 0.5808039057652656
Energy: 0.5162374935678622
Energy: 0.49052522007224897
Energy: 0.5165291197164843
Energy: 0.9085280170495097
Energy: 0.516529119718792

minimum gb energy = 0.45581003990177266 eV
minimum distance =  2.34078247306456 Angstroms
sigma value = 113


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

Energy: 0.015488030409497226
Energy: 0.01638443187359704
Energy: 0.6448259852654907
Energy: 0.01638443187317817
Energy: 0.6443294721516137
Energy: 0.2514953633238111
Energy: 0.25149381950122346
Energy: 0.2514953633242546
Energy: 0.015488030409497226
Energy: 0.01638443187317817
Energy: 0.6448259852585672
Energy: 0.01638443187359704
Energy: 0.6443294721516137
Energy: 0.2514953633238111
Energy: 0.25149382007251225
Energy: 0.2514953633246735
Energy: 0.015488030409497226
Energy: 0.01638443187317817
Energy: 0.6448259852594294
Energy: 0.01638443187359704
Energy: 0.6443294721511702
Energy: 0.2514953633238111
Energy: 0.2514938204916775
Energy: 0.2514953633246735

minimum gb energy = 0.015488030409497226 eV
minimum distance =  2.54313940084388 Angstroms
sigma value = 1