Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.039798453450203
cohesive_energy=2.8885682080333717
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5056214591519898e-19, 2.0394747244839598e-19, 2.4380321839578e-19, 2.7578266401041997e-19, 3.0273287717093396e-19, 3.2568886398288595e-19, 3.45506186768832e-19, 3.6276803782354794e-19, 3.7786534824572995e-19, 3.9110253159583794e-19, 4.0281924932028003e-19, 4.1312765378343593e-19, 4.2215271476275795e-19, 4.3001940203569794e-19, 4.368606962628779e-19, 4.4276952368907e-19, 4.47787540906758e-19, 4.5198203933457e-19, 4.55405890801428e-19, 4.58123182372692e-19, 4.602012054669899e-19, 4.616447666142239e-19, 4.624891137003419e-19, 4.62763085904756e-19, 4.624682854040999e-19, 4.61529409896576e-19, 4.59845522254242e-19, 4.57251598283796e-19, 4.53577807262034e-19, 4.48627081462974e-19, 4.4224080539985e-19, 4.3414500686824795e-19, 4.23907098176988e-19, 4.1109449163489e-19, 3.95170458069564e-19, 3.7546688982463196e-19, 3.5114104199061e-19, 3.2126845864967997e-19, 2.8439276124153597e-19, 2.38749953292144e-19, 1.8202488956537398e-19, 1.112521013293554e-19, 2.22513495283188e-20, -9.064009893294539e-20, -2.3527162781973e-19, -4.2323418399070797e-19, -6.715058730187139e-19, -1.00609482820347e-18, -1.4683644437049537e-18, -2.12690550340134e-18, -3.1030796829648597e-18, -4.630739081717519e-18, -7.20260107991334e-18, -1.202935045103442e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.00892032948209185
Energy: 0.09174900797332627
Energy: 0.7894260500796071
Energy: 0.009258972749800034
Energy: 0.09174900797233573
Energy: 0.8808404289253597
Energy: 0.00925897274931174
Energy: 0.8808404288752889
Energy: 0.7894260500776401
Energy: 0.00925897274931174
Energy: 0.00892032948209185
Energy: 0.09174900797282402
Energy: 0.00925897274931174
Energy: 0.8808404288831434
Energy: 0.09174900797233573
Energy: 0.8808404288473166

minimum gb energy = 0.00892032948209185 eV
minimum distance =  2.76175220825353 Angstroms
sigma value = 1


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

Energy: 1.3864968772601176
Energy: 0.8064839734218857
Energy: 0.8070175655836048
Energy: 0.7662224349052267
Energy: 0.8048809159914514
Energy: 0.8405130529930768
Energy: 0.8060881385425611
Energy: 0.8405130529942949
Energy: 0.80276705961382
Energy: 0.8025449565411317
Energy: 0.806407532725438
Energy: 0.802544956552068
Energy: 0.8033744017531476
Energy: 0.8151637755492057
Energy: 0.8058267966150925
Energy: 0.8151637755479875
Energy: 0.8441864365819982
Energy: 0.8171632793344492
Energy: 0.8051197794804266
Energy: 0.8171632793344492
Energy: 0.8034435140375183
Energy: 0.9091630285785627
Energy: 0.806035426223062
Energy: 0.9091630285809715
Energy: 0.8034921096177722
Energy: 0.9098177439528824
Energy: 0.843613615519047
Energy: 0.9098177439516641
Energy: 0.8461275128083532
Energy: 0.9398955718085898
Energy: 0.806835087679565
Energy: 0.939895571809199
Energy: 0.8049405112576389
Energy: 0.9385967957555924
Energy: 0.8054277537243444
Energy: 0.9385967957543742
Energy: 0.8440278277164756
Energy: 0.9375408133625076
Energy: 0.8447544336044019
Energy: 0.9375408133625076
Energy: 0.8415067086261476
Energy: 0.9382548173290793
Energy: 0.8055452051126708
Energy: 0.9382548173309067
Energy: 0.8436265900957066
Energy: 0.9371783358298813
Energy: 0.8069504021109395
Energy: 0.9371783358310996
Energy: 0.8033388007955002
Energy: 0.8998430352521993
Energy: 0.8423610426466908
Energy: 0.8998430352521993
Energy: 0.8032098631197715
Energy: 0.9005044732316302
Energy: 0.8426815365037268
Energy: 0.9005044732316302
Energy: 0.8424410674386211
Energy: 0.807500571054626
Energy: 0.8054389046890797
Energy: 0.8075005710534079
Energy: 0.7630251356564591
Energy: 0.8167827566180927
Energy: 0.8058602826297521
Energy: 0.8167827566187017
Energy: 0.8028438712388472
Energy: 0.8018968455102197
Energy: 0.7627756016672342
Energy: 0.8018968455114379
Energy: 0.8063793628386627
Energy: 0.8086147300097462
Energy: 0.8445963903348139
Energy: 0.8086147300097462
Energy: 0.8061589147667222
Energy: 0.8060823787025657
Energy: 0.8052925109313769
Energy: 0.8060823904611659
Energy: 0.8051307447533407
Energy: 0.8070954140364173
Energy: 0.8036148842984568
Energy: 0.8070954140376354
Energy: 0.8060885440666451
Energy: 0.8049625982864776
Energy: 0.8440309332549665
Energy: 0.8049625982858686
Energy: 0.8062880376735608
Energy: 0.8048732215477062
Energy: 0.8034865378091746
Energy: 0.8048732215470971
Energy: 0.8437901704668094
Energy: 0.8991796740927729
Energy: 0.8026011776148598
Energy: 0.8991796740946001
Energy: 0.8062392630381077
Energy: 0.8981930239717563
Energy: 0.803214127469932
Energy: 0.8981930239717563
Energy: 0.8047448512410964
Energy: 0.9387676326488371
Energy: 0.8051610313345813
Energy: 0.9387676326476189
Energy: 0.806847914705944
Energy: 0.9371614918626838
Energy: 0.8456066056056103
Energy: 0.9371614918639021
Energy: 0.8054351278406296
Energy: 0.9381988331463582
Energy: 0.8419094277540295
Energy: 0.9381988331469673
Energy: 0.8090978464515228
Energy: 0.9374762269044191
Energy: 0.8437856589588983
Energy: 0.9374762269044191
Energy: 0.8422332595781716
Energy: 0.908546059355854
Energy: 0.8032611489630265
Energy: 0.9085460593546357
Energy: 0.8428510316545914
Energy: 0.9055679390748219
Energy: 0.8042315691799544
Energy: 0.9055679390748219
Energy: 0.8060589080090674
Energy: 0.8079824599102471
Energy: 0.842426803246502
Energy: 0.8079824599096379
Energy: 0.8057893549621904
Energy: 0.8465664796317951
Energy: 0.7630027265121638
Energy: 0.8465664796324043
Energy: 0.7629191694953179
Energy: 0.8019141910933072
Energy: 0.8025917408716375
Energy: 0.8019141910933072

minimum gb energy = 0.7627756016672342 eV
minimum distance =  2.55813401720741 Angstroms
sigma value = 1


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

Energy: 0.9651676942586846
Energy: 0.8653529750029091
Energy: 0.8664214251828439
Energy: 0.8196294538964579
Energy: 0.8640508529028216
Energy: 0.8995429398938277
Energy: 0.8637919688040921
Energy: 0.8995429398938277
Energy: 0.8606375785760575
Energy: 0.8606257214885562
Energy: 0.8655803271210647
Energy: 0.8606257214892507
Energy: 0.8601256881941969
Energy: 0.8623407377924515
Energy: 0.8644337002425928
Energy: 0.862340737791757
Energy: 0.8655807037750537
Energy: 0.8651632560299656
Energy: 0.8640995549178618
Energy: 0.8651632560299656
Energy: 0.8599167134438156
Energy: 0.9789348962427367
Energy: 0.8645215134115626
Energy: 0.9789348962413477
Energy: 0.8613248064353225
Energy: 0.9704368185831603
Energy: 0.8661255195653647
Energy: 0.9704368185873273
Energy: 0.8609435546769544
Energy: 0.9653424663466784
Energy: 0.8652487567340719
Energy: 0.9653424663480674
Energy: 0.8642981100150752
Energy: 1.0056306764662888
Energy: 0.8154992464359396
Energy: 1.0056306764662888
Energy: 0.8653137494787727
Energy: 1.005056194852241
Energy: 0.8645394403325873
Energy: 1.0050561948529353
Energy: 0.9045210074189625
Energy: 0.983325726215967
Energy: 0.8613852929605347
Energy: 0.983325726217356
Energy: 0.9037187112912998
Energy: 0.9702649841406559
Energy: 0.8602524349508444
Energy: 0.9702649841385722
Energy: 0.8649551651082427
Energy: 0.8655561030643416
Energy: 0.9043438531861502
Energy: 0.8655561030643416
Energy: 0.8642942064810439
Energy: 0.8622614505825715
Energy: 0.8156591121579344
Energy: 0.8622614505818771
Energy: 0.8156238495525752
Energy: 0.8600246356170188
Energy: 0.8610997397866224
Energy: 0.8600246356184079
Energy: 0.9093682310921967
Energy: 0.8618962166665792
Energy: 0.8637313161555865
Energy: 0.8618962166679682
Energy: 0.8644468491418996
Energy: 0.8599741128441581
Energy: 0.8657104914019353
Energy: 0.8599741128434637
Energy: 0.8603696759038363
Energy: 0.8601563164619648
Energy: 0.8656504641647229
Energy: 0.8601563164626593
Energy: 0.8657715256192522
Energy: 0.8617134156752629
Energy: 0.8644523358389872
Energy: 0.8617134156773465
Energy: 0.8602981558934637
Energy: 0.8627962129897883
Energy: 0.8644205673762635
Energy: 0.8627962129911773
Energy: 0.8608440365586467
Energy: 0.9701944757699824
Energy: 0.866927419447905
Energy: 0.9701944757685935
Energy: 0.8612628028718837
Energy: 0.9705968387077545
Energy: 0.864098716494628
Energy: 0.9705968387063654
Energy: 0.8646229014098056
Energy: 1.0056029666184028
Energy: 0.8157248412892805
Energy: 1.0056029666190973
Energy: 0.8648695473703165
Energy: 1.004886089190491
Energy: 0.8658200423037957
Energy: 1.0048860891911855
Energy: 0.9044581874359762
Energy: 0.9830253799751599
Energy: 0.8615447537295317
Energy: 0.9830253799786323
Energy: 0.904397232573544
Energy: 0.9711818894946629
Energy: 0.8616316236515406
Energy: 0.9711818894925793
Energy: 0.865816085347867
Energy: 0.8658809269803641
Energy: 0.9044800815123616
Energy: 0.8658809269817532
Energy: 0.8644715919600428
Energy: 0.8656074390197669
Energy: 0.8154754772076995
Energy: 0.8656074390211559
Energy: 0.8154709299732956
Energy: 0.8596625405789831
Energy: 0.8599165777773301
Energy: 0.8596625405796775

minimum gb energy = 0.8154709299732956 eV
minimum distance =  2.5542018907984 Angstroms
sigma value = 25


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

Energy: 1.0300034479819438
Energy: 0.9340581791939216
Energy: 0.9345068898100523
Energy: 0.882077423617631
Energy: 0.932870775300144
Energy: 0.9673201351409085
Energy: 0.9329068492484993
Energy: 0.9673201351409085
Energy: 0.9282520238188525
Energy: 0.9280189756513492
Energy: 0.8908396638029449
Energy: 0.9280189756521383
Energy: 0.9273564800286189
Energy: 0.9293211812724551
Energy: 0.8903031095417925
Energy: 0.9293211812724551
Energy: 0.8900875511824206
Energy: 0.9534236478734822
Energy: 0.9333128721046481
Energy: 0.9534236478726749
Energy: 0.8779627144200147
Energy: 1.008266595644901
Energy: 0.8906117340631033
Energy: 1.0082665956457084
Energy: 0.9293609023621616
Energy: 1.0777740373865385
Energy: 0.9282522496300422
Energy: 1.077774037384924
Energy: 0.879009053528002
Energy: 0.9982929651865964
Energy: 0.8904907326541546
Energy: 0.9982929651865964
Energy: 0.9277981270654132
Energy: 1.0762721676956855
Energy: 0.8762749824646644
Energy: 1.0762721676964928
Energy: 0.8779078572561798
Energy: 1.078135513990946
Energy: 0.891077054903089
Energy: 1.0781355139917534
Energy: 0.8763521761315075
Energy: 0.9540000604141765
Energy: 0.9344656878291495
Energy: 0.9540000604133692
Energy: 0.8757359585803699
Energy: 0.934130178452765
Energy: 0.8904611570309636
Energy: 0.9341301784519578
Energy: 0.9272555939916536
Energy: 0.9271481791984347
Energy: 0.8760123765611431
Energy: 0.9271481791984347
Energy: 0.9327404772424372
Energy: 0.8787824374272197
Energy: 0.9285278934852368
Energy: 0.878782437425605
Energy: 0.8921576861153458
Energy: 0.9273964018537928
Energy: 0.9330681272433408
Energy: 0.9273964018529853
Energy: 0.9344896796914718
Energy: 0.8790317810572651
Energy: 0.9278591516285598
Energy: 0.8790317810564577
Energy: 0.9336534582608748
Energy: 0.8789365337553955
Energy: 0.8900110172489634
Energy: 0.8789365337553955
Energy: 0.8901208560998921
Energy: 0.9282767030707468
Energy: 0.8793981064980059
Energy: 0.9282767030699395
Energy: 0.9283851892835537
Energy: 1.0794437566071446
Energy: 0.9286653579873397
Energy: 1.0794437566071446
Energy: 0.8913131958027242
Energy: 1.0771077241211626
Energy: 0.9278178064633393
Energy: 1.0771077241203553
Energy: 0.8769068754869528
Energy: 1.0760684313151339
Energy: 0.9280138411218264
Energy: 1.0760684313151339
Energy: 0.8759587164911767
Energy: 1.0767742510757026
Energy: 0.8784088630365126
Energy: 1.0767742510740876
Energy: 0.9340199178405124
Energy: 0.9539346711152364
Energy: 0.875928389497518
Energy: 0.9539346711160438
Energy: 0.8904702684349809
Energy: 0.9336163649273205
Energy: 0.8757707538723645
Energy: 0.9336163649265132
Energy: 0.8759375084674774
Energy: 0.9270428624884236
Energy: 0.9274707099023232
Energy: 0.927042862489231

minimum gb energy = 0.8757359585803699 eV
minimum distance =  2.55312610504949 Angstroms
sigma value = 9


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

Energy: 1.4026187979854372
Energy: 1.004697415994447
Energy: 1.0142367936159205
Energy: 0.9528944325097942
Energy: 1.0132439968871976
Energy: 1.0431920601655031
Energy: 1.013113803199268
Energy: 1.0431920601655031
Energy: 1.0045088408936584
Energy: 1.004870143921393
Energy: 1.0138428099782475
Energy: 1.004870143921393
Energy: 1.004360324266112
Energy: 1.0429861724276988
Energy: 1.0156133219940566
Energy: 1.0429861724267357
Energy: 1.0135069604806926
Energy: 1.017429703413455
Energy: 1.0151880682372938
Energy: 1.017429703413455
Energy: 1.0068248936883315
Energy: 1.0068184190539349
Energy: 1.0162904062870792
Energy: 1.0068184190529716
Energy: 1.0664770364290073
Energy: 1.1695981790757237
Energy: 1.0157426244803118
Energy: 1.1695981790747605
Energy: 1.015951540840565
Energy: 1.1498573703263653
Energy: 1.0166053623645037
Energy: 1.149857370325402
Energy: 1.016077140678944
Energy: 1.0180030939012459
Energy: 0.9434111510939593
Energy: 1.0180030939002827
Energy: 1.0157014048432835
Energy: 1.0167122252152174
Energy: 0.9433255995929071
Energy: 1.0167122252142544
Energy: 0.9446841046634918
Energy: 1.0042892828817291
Energy: 1.0041923829181034
Energy: 1.0042892828817291
Energy: 1.065722166908867
Energy: 1.0065215928844606
Energy: 1.0130544505622363
Energy: 1.0065215928844606
Energy: 1.0134229672094142
Energy: 1.0042925545386332
Energy: 1.0138279556067578
Energy: 1.0042925545405592
Energy: 1.0041927952997824
Energy: 1.006323416413944
Energy: 1.0049577786063693
Energy: 1.0063234164158703
Energy: 1.0135376231420543
Energy: 1.005897092334314
Energy: 1.015649094687928
Energy: 1.005897092334314
Energy: 1.0066254824380458
Energy: 1.0739335466134698
Energy: 1.0152467599700732
Energy: 1.0739335466134698
Energy: 1.0662342532881965
Energy: 1.1712842851279555
Energy: 1.015647885924204
Energy: 1.1712842851289187
Energy: 1.0662240228321733
Energy: 1.1720583304772523
Energy: 1.0156120006187253
Energy: 1.1720583304782155
Energy: 1.016185848151029
Energy: 1.0180079706347451
Energy: 0.9433878210827048
Energy: 1.018007970635708
Energy: 1.0158501444115808
Energy: 1.0167308418668553
Energy: 0.9434186882786495
Energy: 1.0167308418649292
Energy: 0.9426838661978233
Energy: 1.004419162966074
Energy: 1.0038041884715858
Energy: 1.004419162966074

minimum gb energy = 0.9426838661978233 eV
minimum distance =  2.54953087730831 Angstroms
sigma value = 25


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

Energy: 1.2615246258866708
Energy: 1.0957307396197262
Energy: 1.1117793264544777
Energy: 1.0311415744831933
Energy: 1.1058023529598795
Energy: 1.0952257970263437
Energy: 1.106005093347599
Energy: 1.0952257970275348
Energy: 1.0973252297225053
Energy: 1.0958665494754563
Energy: 1.10536336384137
Energy: 1.0958665494766475
Energy: 1.097139125468821
Energy: 1.0957569247265546
Energy: 1.0473442177003893
Energy: 1.0957569247253633
Energy: 1.0431910975790903
Energy: 1.1650135691811196
Energy: 1.0473540799162047
Energy: 1.1650135691811196
Energy: 1.024541141423435
Energy: 1.167865890786355
Energy: 1.0457835843501024
Energy: 1.167865890786355
Energy: 1.0206965938410295
Energy: 1.1605106883168386
Energy: 1.0474676482456677
Energy: 1.1605106883168386
Energy: 1.020268664153924
Energy: 1.1594463179432661
Energy: 1.0473016103058341
Energy: 1.1594463179420749
Energy: 1.095224216655916
Energy: 1.0952388626989715
Energy: 1.1635631862625786
Energy: 1.0952388626977803
Energy: 1.1060025051037794
Energy: 1.0959456484954782
Energy: 1.161104615080663
Energy: 1.0959456484954782
Energy: 1.1059970550564144
Energy: 1.0956159549659963
Energy: 1.1057197010981528
Energy: 1.0956159549659963
Energy: 1.0945841469969904
Energy: 1.0956559761417888
Energy: 1.0958220580773634
Energy: 1.0956559761417888
Energy: 1.046213052148853
Energy: 1.1680118779403121
Energy: 1.04336453858757
Energy: 1.1680118779415032
Energy: 1.0473220900713662
Energy: 1.158272933949102
Energy: 1.0255256550073044
Energy: 1.158272933949102
Energy: 1.047511670028048
Energy: 1.1589511450288152
Energy: 1.020453628827973
Energy: 1.1589511450300063
Energy: 1.046669503057785
Energy: 1.1596745533290798
Energy: 1.0205899111602659
Energy: 1.1596745533290798
Energy: 1.1620262117681985
Energy: 1.0949311277503075
Energy: 1.0944780652838717
Energy: 1.0949311277503075

minimum gb energy = 1.020268664153924 eV
minimum distance =  2.54769207409923 Angstroms
sigma value = 17


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

Energy: 1.6544554621551528
Energy: 1.178017440303012
Energy: 1.2007149176784222
Energy: 1.1353758211093148
Energy: 1.0692673224116274
Energy: 1.0684543024466642
Energy: 1.144802794691114
Energy: 1.0684543024466642
Energy: 1.0901710049406539
Energy: 1.0899278556620018
Energy: 1.1893308265836926
Energy: 1.0899278556626761
Energy: 1.090132228021885
Energy: 1.1079842318539077
Energy: 1.0884878756365273
Energy: 1.107984231845813
Energy: 1.090170529201385
Energy: 1.1493628197096744
Energy: 1.05201049491865
Energy: 1.1493628197089996
Energy: 1.0889747121836586
Energy: 1.110813840587132
Energy: 1.0899400029442152
Energy: 1.110813840587132
Energy: 1.1239858895435404
Energy: 1.088493332360875
Energy: 1.090507765528769
Energy: 1.0884933323602004
Energy: 1.2278394245054118
Energy: 1.0882382491227398
Energy: 1.070921230841563
Energy: 1.0882382491227398
Energy: 1.1911469438698674
Energy: 1.177830722656357
Energy: 1.1793753186938625
Energy: 1.1778307226550078
Energy: 1.1778955059137781
Energy: 1.1776952573697632
Energy: 1.1447282721392968
Energy: 1.1776952573704378
Energy: 1.088210048767186
Energy: 1.0541861014395075
Energy: 1.0668905617678879
Energy: 1.0541861014428804
Energy: 1.1781293587426382
Energy: 1.0694558515460264
Energy: 1.070689585037094
Energy: 1.0694558515460264
Energy: 1.1242082502542756
Energy: 1.0694127392828499
Energy: 1.070158515438154
Energy: 1.0694127392808264
Energy: 1.1246482964694497
Energy: 1.0693255966738175
Energy: 1.06803472335947
Energy: 1.069325596673143
Energy: 1.1774726803569757
Energy: 1.1771067094144037
Energy: 1.2296793413474298
Energy: 1.1771067094144037
Energy: 1.190673960813858
Energy: 1.1772815475995748
Energy: 1.2300827703955919
Energy: 1.1772815476002492
Energy: 1.1784791184755512
Energy: 1.088537039444792
Energy: 1.090356676329463
Energy: 1.0885370394441176
Energy: 1.1785804400681488
Energy: 1.0885265690097377
Energy: 1.0879002850574244
Energy: 1.088526569009063
Energy: 1.0893895301770682
Energy: 1.149095013263216
Energy: 1.090850454974579
Energy: 1.1490950132625415
Energy: 1.0527059627224173
Energy: 1.109525473717518
Energy: 1.0906552519654187
Energy: 1.1095254737181925
Energy: 1.0892097656807835
Energy: 1.089538896039339
Energy: 1.2277545922536712
Energy: 1.089538896041363
Energy: 1.090400166434842
Energy: 1.099591190878212
Energy: 1.124316251050735
Energy: 1.099591190876863
Energy: 1.1434927325686928
Energy: 1.1778461635459938
Energy: 1.1437181428066583
Energy: 1.1778461635453192
Energy: 1.190110982619492
Energy: 1.177901566153379
Energy: 1.1779939191525424
Energy: 1.1779015661540535
Energy: 1.0691016250488108
Energy: 1.069168708779619
Energy: 1.178160005604832
Energy: 1.0691687087816424
Energy: 1.0710599256045186
Energy: 1.069529850236094
Energy: 1.0884709986576533
Energy: 1.069529850234745
Energy: 1.0664407581271604
Energy: 1.0690448778271933
Energy: 1.1257909591238582
Energy: 1.0690448778271933
Energy: 1.0701978743910907
Energy: 1.0695596555603066
Energy: 1.1249998492265159
Energy: 1.069559655556934
Energy: 1.0690775401094847
Energy: 1.0689844151871288
Energy: 1.1242160018651681
Energy: 1.068984415186454
Energy: 1.2318425473092542
Energy: 1.178139050733125
Energy: 1.1774831018438645
Energy: 1.1781390507344744

minimum gb energy = 1.05201049491865 eV
minimum distance =  2.55552344255572 Angstroms
sigma value = 53


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

Energy: 1.524100999680622
Energy: 1.1467265846241825
Energy: 1.1757009015685578
Energy: 1.0461069871688462
Energy: 1.1447209785860752
Energy: 1.101084552940565
Energy: 1.1457428861543617
Energy: 1.1010845529393298
Energy: 1.1457512491291573
Energy: 1.1481064656111155
Energy: 1.1535166599106597
Energy: 1.1481064656106565
Energy: 1.1485822567992485
Energy: 1.1033413916646033
Energy: 1.1438951909319637
Energy: 1.1033413916624153
Energy: 1.160176704429102
Energy: 1.1026683288291204
Energy: 1.0393204873845985
Energy: 1.1026683288275676
Energy: 1.1440014657173356
Energy: 1.1049753985566113
Energy: 1.046773265230143
Energy: 1.104975398556911
Energy: 1.2407804232137625
Energy: 1.1452123028556531
Energy: 1.145724842172085
Energy: 1.1452123028556531
Energy: 1.2407809724957317
Energy: 1.143904850117739
Energy: 1.1427717166441786
Energy: 1.1439048501152507
Energy: 1.1478297450144057
Energy: 1.1468207275930622
Energy: 1.1559498151145722
Energy: 1.1468207275935212
Energy: 1.14387982660611
Energy: 1.1449139657653646
Energy: 1.1471263120307469
Energy: 1.1449139657653646
Energy: 1.1582913991816397
Energy: 1.10535006446052
Energy: 1.0407414964998036
Energy: 1.10535006446052
Energy: 1.1473849325050804
Energy: 1.1021699398817835
Energy: 1.0366848491533922
Energy: 1.1021699398830362
Energy: 1.2408255074343655
Energy: 1.144060665696052
Energy: 1.1422411697417154
Energy: 1.1440606656971284

minimum gb energy = 1.0366848491533922 eV
minimum distance =  2.54107609965084 Angstroms
sigma value = 9


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

Energy: 1.460641432972556
Energy: 1.2143946127514
Energy: 1.2664562141825841
Energy: 1.1638779534094803
Energy: 1.0908116238958354
Energy: 1.0887910560631449
Energy: 1.2260172638023514
Energy: 1.0887910560631449
Energy: 1.0853148548972844
Energy: 1.0861263036929099
Energy: 1.2129989086963284
Energy: 1.086126303694634
Energy: 1.0868022797526355
Energy: 1.0879693204383378
Energy: 1.2757944649439115
Energy: 1.0879693204389127
Energy: 1.0892467498033462
Energy: 1.0884856803495628
Energy: 1.2735480994091775
Energy: 1.088485680348988
Energy: 1.08923879690672
Energy: 1.088978066386076
Energy: 1.2736940487924544
Energy: 1.0889780663855013
Energy: 1.2359345722286657
Energy: 1.2135838704170059
Energy: 1.2268760063530695
Energy: 1.2135838704153075
Energy: 1.2260220037839895
Energy: 1.2132027077364769
Energy: 1.213884106149014
Energy: 1.213202707735902
Energy: 1.1176737491646629
Energy: 1.1786419883179646
Energy: 1.132210847786149
Energy: 1.1786419883179646
Energy: 1.0971042858637585
Energy: 1.1362426066576452
Energy: 1.2158438063884216
Energy: 1.1362426066576452
Energy: 1.1145519630139364
Energy: 1.1146808835288606
Energy: 1.1964824862030972
Energy: 1.1146808835277109
Energy: 1.1304650652305868
Energy: 1.1167689158304765
Energy: 1.274127540633015
Energy: 1.1167689158304765
Energy: 1.2252180816430354
Energy: 1.1148233261297216
Energy: 1.1375990477448825
Energy: 1.1148233261308709
Energy: 1.2358245796912104
Energy: 1.1157520153306264
Energy: 1.1165545833754458
Energy: 1.1157520153289018
Energy: 1.2130254354579029
Energy: 1.1182817054585334
Energy: 1.1183668931096133
Energy: 1.1182817054585334
Energy: 1.1512975097649563
Energy: 1.2248212609285545
Energy: 1.1187697086761497
Energy: 1.2248212609285545
Energy: 1.2165195485733584
Energy: 1.1741297552344854
Energy: 1.1180859018746445
Energy: 1.17412975523621
Energy: 1.2131143268312703
Energy: 1.214835014462951
Energy: 1.2755846662949715
Energy: 1.2148350144646753
Energy: 1.2262494381777225
Energy: 1.2427878090935436
Energy: 1.1266949670932631
Energy: 1.2427878090929687
Energy: 1.2129265447246624
Energy: 1.085986389988132
Energy: 1.0855394169926331
Energy: 1.0859863899869822
Energy: 1.2764174272090971
Energy: 1.0887495803900304
Energy: 1.0897157391257166
Energy: 1.0887495803894556
Energy: 1.2735798548105233
Energy: 1.088288140070134
Energy: 1.0887126697221738
Energy: 1.088288140070134
Energy: 1.273599777854902
Energy: 1.0893521152646712
Energy: 1.0888455128267205
Energy: 1.0893521152635217
Energy: 1.2279346637637745
Energy: 1.2132441250004935
Energy: 1.2363566411305422
Energy: 1.2132441250004935
Energy: 1.2144392320044382
Energy: 1.2131971905308427
Energy: 1.2268088311571557
Energy: 1.2131971905296932
Energy: 1.1299606840397938
Energy: 1.1798334409239204
Energy: 1.1162337813722154
Energy: 1.1798334409336917
Energy: 1.2136794627317586
Energy: 1.136005291527401
Energy: 1.0970801690919096
Energy: 1.1360052915268264
Energy: 1.1966541323453446
Energy: 1.1150852150943207
Energy: 1.1152150490178336
Energy: 1.1150852150948953
Energy: 1.2740093154490082
Energy: 1.11769100299656
Energy: 1.1194308590533215
Energy: 1.11769100299656
Energy: 1.1387141637832618
Energy: 1.115000322236046
Energy: 1.2257634202498513
Energy: 1.1150003222354714
Energy: 1.1180914822084125
Energy: 1.116418878007982
Energy: 1.2135729330378753
Energy: 1.1164188780068325
Energy: 1.117859394442162
Energy: 1.118629347384873
Energy: 1.2133533603915485
Energy: 1.1186293473831486
Energy: 1.1197457025151365
Energy: 1.2400359225257547
Energy: 1.1508680597628074
Energy: 1.240035922527479
Energy: 1.1168718480258117
Energy: 1.1757056144156424
Energy: 1.1548990880070398
Energy: 1.1757056144156424
Energy: 1.2754598976150868
Energy: 1.2145048763228266
Energy: 1.2129619800124942
Energy: 1.2145048763222517

minimum gb energy = 1.0853148548972844 eV
minimum distance =  2.53212500223502 Angstroms
sigma value = 73


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

Energy: 1.6175707749627208
Energy: 1.1695404916919883
Energy: 1.1693763936731654
Energy: 1.1279196840880235
Energy: 1.101019431023472
Energy: 1.0969764830660902
Energy: 1.2607311243693387
Energy: 1.096976483065178
Energy: 1.0933079280348836
Energy: 1.0936771615909164
Energy: 1.2021028538265282
Energy: 1.0936771615918286
Energy: 1.0945209365122934
Energy: 1.094911957938595
Energy: 1.2596936816251487
Energy: 1.0949119579395068
Energy: 1.0969800173679058
Energy: 1.0972718487089272
Energy: 1.2962445972545897
Energy: 1.0972718487098392
Energy: 1.141728872055202
Energy: 1.0973617083018283
Energy: 1.2514122311545186
Energy: 1.0973617083000045
Energy: 1.2532473772913646
Energy: 1.2061873063907838
Energy: 1.2211459574030246
Energy: 1.2061873063898716
Energy: 1.1666131693546142
Energy: 1.204359555818503
Energy: 1.204295664999567
Energy: 1.204359555818503
Energy: 1.1543731454095265
Energy: 1.2048337240550557
Energy: 1.2051755237785446
Energy: 1.2048337240541647
Energy: 1.1135948310574881
Energy: 1.0745213472329511
Energy: 1.2070302019627208
Energy: 1.074521347234775
Energy: 1.1550180497982585
Energy: 1.0714035307645158
Energy: 1.2061348037795159
Energy: 1.0714035307645158
Energy: 1.1397749133536383
Energy: 1.0759225808784296
Energy: 1.2529211381198122
Energy: 1.0759225808793413
Energy: 1.2025223031505703
Energy: 1.1447721826150974
Energy: 1.1310300744039474
Energy: 1.1447721826169213
Energy: 1.2024410149118738
Energy: 1.1243910057510091
Energy: 1.1226059121240894
Energy: 1.1243910057500974
Energy: 1.229869242446898
Energy: 1.123088003303617
Energy: 1.1226476093026698
Energy: 1.123088003304529
Energy: 1.2511545898421832
Energy: 1.1237690266851335
Energy: 1.1227954374006104
Energy: 1.1237690266842217
Energy: 1.2414591405715392
Energy: 1.1295706376828223
Energy: 1.1232325032420731
Energy: 1.1295706376828223
Energy: 1.1920745831698893
Energy: 1.1777242206486245
Energy: 1.253424158904666
Energy: 1.1777242206504486
Energy: 1.1761605387045284
Energy: 1.1767347765143505
Energy: 1.178973627390919
Energy: 1.1767347765134388
Energy: 1.176307636727866
Energy: 1.169393900840015
Energy: 1.1702123695617788
Energy: 1.1693939008409273
Energy: 1.175875107434232
Energy: 1.1706360928586217
Energy: 1.1127831891158304
Energy: 1.1706360928586217
Energy: 1.2437270708349466
Energy: 1.1692019005784813
Energy: 1.1700274903012524
Energy: 1.1692019005784813

minimum gb energy = 1.0714035307645158 eV
minimum distance =  2.51705731479607 Angstroms
sigma value = 7


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

Energy: 1.2442588224600644
Energy: 1.162164278235352
Energy: 1.1620225672663944
Energy: 1.0994491996500586
Energy: 1.090285328162295
Energy: 1.1605053313465985
Energy: 1.176195495995809
Energy: 1.1605053313472433
Energy: 1.0886916727767433
Energy: 1.0904821646602454
Energy: 1.1598336525693265
Energy: 1.0904821646596004
Energy: 1.091776465106483
Energy: 1.092557698472112
Energy: 1.2915705981416814
Energy: 1.0925576984734018
Energy: 1.0897222654395466
Energy: 1.0884813982785426
Energy: 1.2294661133195348
Energy: 1.0884813982746735
Energy: 1.1038444149752902
Energy: 1.0889852662698718
Energy: 1.2295580328118252
Energy: 1.0889852662711614
Energy: 1.223242356713813
Energy: 1.0894118176520329
Energy: 1.103413749285366
Energy: 1.0894118176539676
Energy: 1.1781267445734758
Energy: 1.0887220995443991
Energy: 1.0891918121313118
Energy: 1.088722099541175
Energy: 1.2234811206915366
Energy: 1.095738779449324
Energy: 1.0997359600746126
Energy: 1.095738779449324
Energy: 1.230234682374545
Energy: 1.2517251058032104
Energy: 1.089311533224538
Energy: 1.2517251058064343
Energy: 1.179491194414649
Energy: 1.1595072987454618
Energy: 1.166315061650221
Energy: 1.159507298744817
Energy: 1.1617553124689992
Energy: 1.1624943777248833
Energy: 1.2240068947174014
Energy: 1.162494377726818
Energy: 1.1628234612802038
Energy: 1.162690831599794
Energy: 1.1627643103882743
Energy: 1.1626908315985043
Energy: 1.162683788847406
Energy: 1.1499832796340574
Energy: 1.0901035108361785
Energy: 1.1499832796334126
Energy: 1.1614618289164977
Energy: 1.16313914383946
Energy: 1.090475573626712
Energy: 1.163139143835591
Energy: 1.2164078843536532
Energy: 1.162387677114954
Energy: 1.1610548021117115
Energy: 1.1623876771175332
Energy: 1.2810079866966346
Energy: 1.1593458243962065
Energy: 1.1776199359985167
Energy: 1.1593458243962065
Energy: 1.0893046022645052
Energy: 1.2518595816441405
Energy: 1.1603536886615229
Energy: 1.2518595816467195
Energy: 1.0990860450515973
Energy: 1.0956161256781494
Energy: 1.223437471457457
Energy: 1.0956161256800838
Energy: 1.088952045065255
Energy: 1.0885682104846883
Energy: 1.21714429356457
Energy: 1.0885682104879124
Energy: 1.1036918313127055
Energy: 1.0894564223981749
Energy: 1.229645034354646
Energy: 1.08945642239753
Energy: 1.2260162646434034
Energy: 1.0888857826082006
Energy: 1.10411776243876
Energy: 1.0888857826075558
Energy: 1.226115093984561
Energy: 1.0886288579041123
Energy: 1.087844048460427
Energy: 1.088628857905402
Energy: 1.1749261917557396
Energy: 1.0927323277029146
Energy: 1.0919323830342238
Energy: 1.092732327706139
Energy: 1.229765287036514
Energy: 1.0902794466291859
Energy: 1.088779416368005
Energy: 1.0902794466324102
Energy: 1.2309637156245208
Energy: 1.1602086234128242
Energy: 1.0902916735204364
Energy: 1.160208623410245
Energy: 1.1612700965103842
Energy: 1.1641726256172047
Energy: 1.6440492592801348
Energy: 1.1641726256165599
Energy: 1.1595060367405525
Energy: 1.1609982256105014
Energy: 1.1606365590679621
Energy: 1.1609982256130806
Energy: 1.1626884428982773
Energy: 1.150679718991268
Energy: 1.162987527112687
Energy: 1.150679718991913
Energy: 1.1595656252267734
Energy: 1.1612828871659666
Energy: 1.0900276544296403
Energy: 1.1612828871704803
Energy: 1.2193935302725267
Energy: 1.160078694700556
Energy: 1.1630446755393782
Energy: 1.1600786946986215

minimum gb energy = 1.087844048460427 eV
minimum distance =  2.52179530031204 Angstroms
sigma value = 29


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

Energy: 1.057055945992904
Energy: 1.1140455158120512
Energy: 1.057472783413431
Energy: 1.057204555904086
Energy: 1.0535742821051697
Energy: 1.1161957535505476
Energy: 1.0591580115588788
Energy: 1.1161957535500986
Energy: 1.0538955779667274
Energy: 1.1227916429722462
Energy: 1.0477406548930808
Energy: 1.1227916429726956
Energy: 1.0449931248207378
Energy: 1.0530028716644726
Energy: 1.0523918411724293
Energy: 1.053002871664897
Energy: 1.0523887038152506
Energy: 1.0535845709994662
Energy: 1.0456407312598663
Energy: 1.0535845709996907
Energy: 1.0521811311393194
Energy: 1.118710801824586
Energy: 1.044592175832644
Energy: 1.1187108018250105
Energy: 1.0469292347729982
Energy: 1.1225377310638758
Energy: 1.0528238133873857
Energy: 1.1225377310638758
Energy: 1.0602372324187386
Energy: 1.0549744913943022
Energy: 1.0429235723548043
Energy: 1.0549744913943022
Energy: 1.042458882441839
Energy: 1.056649676161073
Energy: 1.0571502450937689
Energy: 1.0566496761612978

minimum gb energy = 1.042458882441839 eV
minimum distance =  2.51753096420445 Angstroms
sigma value = 5


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

Energy: 1.387762107150869
Energy: 0.9948002535128426
Energy: 1.1664382364978527
Energy: 0.9706546691860953
Energy: 1.1879974922046483
Energy: 0.9902414348926983
Energy: 1.1883313457440081
Energy: 0.9902414348920893
Energy: 1.1886658294765728
Energy: 1.0624215277110196
Energy: 1.1927257847787907
Energy: 1.0624215277110196
Energy: 1.0129505643673073
Energy: 0.9915486196552896
Energy: 1.1869288530322457
Energy: 0.9915486196534623
Energy: 1.1868425039442856
Energy: 0.9915375331944084
Energy: 1.1922631286490881
Energy: 0.9915375331944084
Energy: 0.9924448622043935
Energy: 0.9911749817786902
Energy: 1.191163684907142
Energy: 0.9911749817786902
Energy: 0.9925135912276614
Energy: 0.9921972269266391
Energy: 1.1873966454617795
Energy: 0.992197226925421
Energy: 0.9911544916176828
Energy: 0.9903201666559752
Energy: 1.3551087259104733
Energy: 0.9903201666559752
Energy: 1.0151625009290892
Energy: 1.0196170807553224
Energy: 1.3610331115765661
Energy: 1.0196170807547134
Energy: 1.195450153215137
Energy: 0.9689335122733693
Energy: 0.9700893879751756
Energy: 0.9689335122739785
Energy: 1.0153846530331014
Energy: 0.9691578439843926
Energy: 0.9694356486709446
Energy: 0.9691578439843926
Energy: 1.3639993666432113
Energy: 0.9683104157958944
Energy: 0.9694285101506915
Energy: 0.9683104157958944
Energy: 1.3546391003053273
Energy: 0.9690280122064558
Energy: 0.9702776760699297
Energy: 0.9690280122052376
Energy: 0.9945012119279912
Energy: 1.0166206757388905
Energy: 1.1932313261805731
Energy: 1.016620675736454
Energy: 0.9918239184687375
Energy: 0.9910398578354975
Energy: 1.189863988587114
Energy: 0.9910398578354975
Energy: 0.9906832653416787
Energy: 0.9902879451513389
Energy: 1.187315660905558
Energy: 0.9902879451519482
Energy: 0.9937441285610226
Energy: 0.9923985063062802
Energy: 1.0142381396672284
Energy: 0.9923985063074986
Energy: 1.188704175463264
Energy: 0.9900701453746859
Energy: 1.0160007641437265
Energy: 0.9900701453728584
Energy: 1.1947007759954715
Energy: 1.0627293916782665
Energy: 1.1880523024299035
Energy: 1.0627293916770482
Energy: 1.1874179750113363
Energy: 0.9919662640806636
Energy: 1.013030660053106
Energy: 0.9919662640812729
Energy: 1.19043895942254
Energy: 0.9911240733693173
Energy: 1.1872991018317882
Energy: 0.9911240733693173
Energy: 1.1911251347662946
Energy: 0.9918216697836528
Energy: 0.9929848091284403
Energy: 0.9918216697818254
Energy: 1.187541392357928
Energy: 0.9916731744001449
Energy: 0.9920481609745618
Energy: 0.9916731744001449
Energy: 1.3552266504220856
Energy: 0.9907113282295877
Energy: 0.9910416106722476
Energy: 0.990711328230806
Energy: 1.3628848981720605
Energy: 1.0173624917726347
Energy: 1.0154427434335114
Energy: 1.017362491773244
Energy: 0.970302392443184
Energy: 0.9690233769570917
Energy: 1.1956071609137895
Energy: 0.969023376957701
Energy: 0.9694665635798695
Energy: 0.9691856995771416
Energy: 1.0151404283367067
Energy: 0.9691856995765323
Energy: 0.9693122761059482
Energy: 0.9688330989226922
Energy: 1.0131555442380054
Energy: 0.9688330989233013
Energy: 0.9699696736627439
Energy: 0.9691496071486908
Energy: 1.3548227647004747
Energy: 0.9691496071395541
Energy: 1.1911251784448968
Energy: 1.0164156043225865
Energy: 1.0167130941842615
Energy: 1.0164156043231958
Energy: 1.1917395495468646
Energy: 0.9906832194190753
Energy: 0.9913666443053681
Energy: 0.9906832194202936
Energy: 1.1873507453501475
Energy: 0.9909071608478296
Energy: 0.9911411585850077
Energy: 0.9909071608472203
Energy: 1.0138530302542899
Energy: 0.992365135582097
Energy: 0.9937000244737976
Energy: 0.9923651355833154

minimum gb energy = 0.9683104157958944 eV
minimum distance =  2.50380294778476 Angstroms
sigma value = 1


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

Energy: 1.3701149251364846
Energy: 0.9430095745219887
Energy: 1.1273128325952293
Energy: 0.9227753728526783
Energy: 1.0912356355934596
Energy: 0.9422052063656361
Energy: 1.2178943857106723
Energy: 0.942205206364794
Energy: 1.0018722201293049
Energy: 1.0353619543333497
Energy: 1.2215928414203057
Energy: 1.0353619543341728
Energy: 1.0925054398908915
Energy: 1.0362223468588763
Energy: 1.2136612196726058
Energy: 1.0362223468563498
Energy: 1.090605185105908
Energy: 0.9510102151696023
Energy: 1.0931957021519059
Energy: 0.9510102151687599
Energy: 0.951701123492399
Energy: 0.950804086346744
Energy: 1.0926262606827881
Energy: 0.9508040863459017
Energy: 0.9508499012923349
Energy: 0.9505306413782978
Energy: 1.2141623807582955
Energy: 0.9505306413774556
Energy: 0.9521122986287308
Energy: 0.9511774138587434
Energy: 1.331656386906974
Energy: 0.9511774138579011
Energy: 0.9635999434482122
Energy: 0.992720817115113
Energy: 1.331117527279336
Energy: 0.992720817115113
Energy: 1.3281993303837194
Energy: 1.1081946246537893
Energy: 1.0474879398293149
Energy: 1.1081946246512628
Energy: 0.962401479190095
Energy: 0.9076067788386368
Energy: 1.0546841599547525
Energy: 0.9076067788377946
Energy: 1.445976051656807
Energy: 0.9075223508457897
Energy: 1.0464996498481063
Energy: 0.9075223508457897
Energy: 1.4459415723475957
Energy: 0.9074324335860842
Energy: 1.0464834026371876
Energy: 0.9074324335860842
Energy: 0.9619420312239103
Energy: 1.0019311395296369
Energy: 1.3152373746487014
Energy: 1.0019311395296369
Energy: 1.091487438304409
Energy: 1.1266011726404246
Energy: 1.3151482595610167
Energy: 1.1266011726387402
Energy: 1.090159703219308
Energy: 0.9529082407005222
Energy: 0.9444394047629467
Energy: 0.9529082406996798
Energy: 0.9519586525497782
Energy: 0.950859608901602
Energy: 1.0957912431789822
Energy: 0.9508596089007599
Energy: 0.9518103461039068
Energy: 0.9514360823893794
Energy: 1.0896199766380539
Energy: 0.9514360823893794
Energy: 0.9505159945287142
Energy: 0.9499758166567503
Energy: 1.335030740416239
Energy: 0.9499758166567503
Energy: 0.9521542676331033
Energy: 0.9524290009349264
Energy: 1.3316318929793958
Energy: 0.9524290009349264
Energy: 1.3280560248697084
Energy: 0.9435316326037191
Energy: 1.2140302922816562
Energy: 0.9435316326028769
Energy: 1.327992450291551
Energy: 0.9422720967272732
Energy: 0.9429220241577677
Energy: 0.9422720967289576
Energy: 1.0903925313325227
Energy: 0.9416395673910816
Energy: 0.9422009247321923
Energy: 0.9416395673910816
Energy: 1.3324919298852589
Energy: 0.9417474849993532
Energy: 0.9425254604747637
Energy: 0.9417474849985111

minimum gb energy = 0.9074324335860842 eV
minimum distance =  2.49181775958093 Angstroms
sigma value = 17


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

Energy: 1.00337285071453
Energy: 0.9156631848922077
Energy: 1.1097186412183382
Energy: 0.8950361623287869
Energy: 0.9147075140872315
Energy: 0.9139250693316074
Energy: 1.090023400529721
Energy: 0.9139250693326485
Energy: 1.244087369148034
Energy: 0.9131916393048943
Energy: 1.0921839158944997
Energy: 0.9131916393043737
Energy: 1.252166429840897
Energy: 0.9562797633316348
Energy: 1.0860441809496186
Energy: 0.9562797633300731
Energy: 1.069242694855865
Energy: 0.895489044597621
Energy: 1.128280592959359
Energy: 0.8954890445971005
Energy: 0.8956112229048945
Energy: 0.8953738814943689
Energy: 1.1261769226047078
Energy: 0.8953738814948895
Energy: 0.8952676962746742
Energy: 0.8949737150719479
Energy: 0.9320444959694489
Energy: 0.8949737150719479
Energy: 0.8963483478211932
Energy: 0.8956853930552525
Energy: 1.0057982608768428
Energy: 0.8956853930552525
Energy: 1.2414749835576708
Energy: 0.8953030003186906
Energy: 1.0887602563131888
Energy: 0.8953030003212933
Energy: 1.0940356448744362
Energy: 0.9561881917619902
Energy: 1.0877632738466454
Energy: 0.9561881917630313
Energy: 1.2385811938087445
Energy: 0.9127859104045666
Energy: 0.9290284130985401
Energy: 0.9127859104061283
Energy: 1.1237565910189693
Energy: 0.9129342075279618
Energy: 1.0865337030711735
Energy: 0.9129342075284824
Energy: 1.1302501261453373
Energy: 0.9127170060314738
Energy: 0.9132815451676537
Energy: 0.9127170060325149
Energy: 0.9143151423963497
Energy: 0.9128312598934797
Energy: 0.9133561036192236
Energy: 0.9128312598929591
Energy: 1.2476693446596017
Energy: 0.9142889981622596
Energy: 0.9145824907126229
Energy: 0.9142889981606979
Energy: 1.0034196018026356
Energy: 0.9140587117348995
Energy: 0.9150508749989221
Energy: 0.9140587117333377
Energy: 0.9144395652267799
Energy: 0.913739264010767
Energy: 1.1281061970614845
Energy: 0.9137392640092054
Energy: 0.9127691342377795
Energy: 0.9124840628436315
Energy: 1.2415740676723823
Energy: 0.912484062844152
Energy: 0.9139185021725202
Energy: 0.9136773010983403
Energy: 1.087906993399777
Energy: 0.9136773010972994
Energy: 0.9141969416043333
Energy: 0.9130405368204314
Energy: 1.0014560658715175
Energy: 0.9130405368188699
Energy: 1.0915544760951559
Energy: 0.9136740800773524
Energy: 1.0707201183326425
Energy: 0.9136740800783936
Energy: 1.092813436104457
Energy: 1.1154308442540255
Energy: 1.2460637117432694
Energy: 1.1154308442555871
Energy: 1.0865544602840866
Energy: 0.956131269909763
Energy: 1.2489576727655511
Energy: 0.956131269909763
Energy: 1.1302613918564333
Energy: 0.8953674157218954
Energy: 1.069290004979559
Energy: 0.8953674157224157
Energy: 1.1238861970652236
Energy: 0.895301671439742
Energy: 0.8955577527238189
Energy: 0.8953016714407831
Energy: 1.0860241937310715
Energy: 0.8950683255478681
Energy: 0.8953901003073597
Energy: 0.8950683255473477
Energy: 1.0016216893005285
Energy: 0.8957410247452392
Energy: 0.8965114706873092
Energy: 0.8957410247452392
Energy: 0.9335287641122589
Energy: 0.895312712487909
Energy: 1.1225969226126014
Energy: 0.8953127124873885
Energy: 1.08887860888891
Energy: 0.9566834991783323
Energy: 1.092465843367335
Energy: 0.9566834991778118
Energy: 0.929526779567809
Energy: 0.9129098377206917
Energy: 1.069814379172434
Energy: 0.9129098377212123
Energy: 1.0857159099157412
Energy: 0.9128185938989442
Energy: 1.1263317436852143
Energy: 0.9128185938989442
Energy: 0.9131169985383623
Energy: 0.9127952048482403
Energy: 1.1271697397971583
Energy: 0.9127952048492814
Energy: 0.9127264977424089
Energy: 0.9124198802483985
Energy: 0.9149766235872359
Energy: 0.9124198802483985
Energy: 0.9147050692960975
Energy: 0.9144209545319769
Energy: 1.250419951252003
Energy: 0.9144209545319769
Energy: 0.9154057785587503
Energy: 0.9378177263437002
Energy: 1.0026012465870724
Energy: 0.9378177263442208
Energy: 1.1250302393349039
Energy: 0.9131714499775747
Energy: 0.9145790050575271
Energy: 0.9131714499780953
Energy: 1.2395288972554988
Energy: 0.9122878563614445
Energy: 0.9123965444686072
Energy: 0.9122878563624857
Energy: 1.0894231559843157
Energy: 0.9132137269707002
Energy: 0.9136789881938308
Energy: 0.9132137269707002

minimum gb energy = 0.8949737150719479 eV
minimum distance =  2.5070853803882 Angstroms
sigma value = 89


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

Energy: 2.0265260045741464
Energy: 0.8297288569566826
Energy: 0.8318622254344116
Energy: 0.8262430857809689
Energy: 0.8311611708665412
Energy: 0.9015582137749492
Energy: 0.832379434485679
Energy: 0.9015582137754907
Energy: 0.8286275111212862
Energy: 0.9011348056862782
Energy: 0.8322783469705602
Energy: 0.9011348056859996
Energy: 0.8260558458679085
Energy: 0.9004879652512325
Energy: 0.8291565642850608
Energy: 0.9004879652520529
Energy: 0.8284222531825904
Energy: 0.828409432829673
Energy: 0.8288354843505331
Energy: 0.8284094328298125
Energy: 0.8276642419363581
Energy: 0.8283609981436917
Energy: 0.8287440587097163
Energy: 0.8283609981442335
Energy: 0.8272194954956887
Energy: 0.827661526171221
Energy: 0.8300438204651647
Energy: 0.8276615261717627
Energy: 0.8280568629723588
Energy: 0.8284315916802025
Energy: 0.8261485090421614
Energy: 0.8284315916810074
Energy: 0.830784417958828
Energy: 0.8274255377247145
Energy: 0.8315492943807782
Energy: 0.8274255377255347
Energy: 0.8314496177975981
Energy: 0.899609200006525
Energy: 0.8310335160034472
Energy: 0.8996092000059833
Energy: 0.8299137279685357
Energy: 0.8993527775095083
Energy: 0.8250001711463113
Energy: 0.8993527775092296
Energy: 0.8268707866568169
Energy: 0.8276801327172
Energy: 0.829843786363258
Energy: 0.8276801327173394
Energy: 0.8282002077390322
Energy: 0.828542770781719
Energy: 0.8278974660751305
Energy: 0.8285427707814558
Energy: 0.8295885963090702
Energy: 0.8273249414848478
Energy: 0.8268528257662908
Energy: 0.8273249414855287
Energy: 0.8317761275992823
Energy: 0.8286048359932356
Energy: 0.8279184061729306
Energy: 0.8286048359939167

minimum gb energy = 0.8250001711463113 eV
minimum distance =  2.53094748739507 Angstroms
sigma value = 13


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

Energy: 0.7662667129435898
Energy: 0.7608662056857705
Energy: 0.981317870433752
Energy: 0.7504662098840013
Energy: 0.9528750227613605
Energy: 0.7577520904605474
Energy: 0.9554771603892895
Energy: 0.7577520904611182
Energy: 0.7642024193395431
Energy: 0.7574063750888533
Energy: 0.9564174767125413
Energy: 0.7574063750894242
Energy: 1.1493184999127564
Energy: 0.75687841403126
Energy: 0.9545202997126214
Energy: 0.7568784140301182
Energy: 0.9568003348822748
Energy: 0.7571961933750276
Energy: 0.957565222559218
Energy: 0.7571961933784529
Energy: 0.9561160373037456
Energy: 0.7585847133189942
Energy: 0.9550567784546093
Energy: 0.7585847133172816
Energy: 0.9560663368476711
Energy: 0.7575314241946092
Energy: 0.9534374220021233
Energy: 0.7575314241980344
Energy: 0.95559462948203
Energy: 0.7582290801496836
Energy: 0.9599555033133174
Energy: 0.7582290801457134
Energy: 0.7571590519213923
Energy: 0.7570666399433906
Energy: 0.9577530753825297
Energy: 0.757066639941678
Energy: 0.7570370146590679
Energy: 0.7568142832901092
Energy: 0.9561887297150476
Energy: 0.7568142832929636
Energy: 0.7583211239045662
Energy: 0.7567922031351878
Energy: 0.7637900262530548
Energy: 0.7567922031346169
Energy: 0.954909245686187
Energy: 0.7981502817000814
Energy: 0.956476785871152
Energy: 0.7981502817011971
Energy: 0.9582281547195458
Energy: 0.7968947665417377
Energy: 0.9537844793407712
Energy: 0.7968947665457339
Energy: 0.9549620310653819
Energy: 0.7972413103531856
Energy: 1.1489292501659367
Energy: 0.7972413103571818
Energy: 0.9578708760526999
Energy: 0.7570127442085102
Energy: 0.955051035982024
Energy: 0.7570127442079392
Energy: 0.9595209441884894
Energy: 0.7585250360616367
Energy: 0.7591079757703816
Energy: 0.7585250360610658
Energy: 0.9535938095066974
Energy: 0.7577787760984288
Energy: 0.758504245348754
Energy: 0.7577787760961452
Energy: 0.7681348052879751
Energy: 0.7582888440326973
Energy: 0.759245867145711
Energy: 0.7582888440366934
Energy: 1.1388835820263685
Energy: 0.7569566672993897
Energy: 0.9526477624117946
Energy: 0.7569566672953935
Energy: 0.9566458501207947
Energy: 0.7569518268367816
Energy: 0.9581614196480777
Energy: 0.7569518268390651
Energy: 1.1388881961775565
Energy: 0.7569324503763025
Energy: 0.9527638991838687
Energy: 0.7569324503745899
Energy: 0.9589418572967152
Energy: 0.7576819285386417
Energy: 0.9544562819458121
Energy: 0.7576819285386417
Energy: 0.9539103215061896
Energy: 0.7573330943484707
Energy: 0.9577518789769905
Energy: 0.7573330943501834
Energy: 0.7631851744179726
Energy: 0.7568516365825421
Energy: 0.9552724786438384
Energy: 0.7568516365797135
Energy: 0.953396370448408
Energy: 0.7571968647188676
Energy: 0.9573900106539165
Energy: 0.7571968647177258
Energy: 0.7573474171723523
Energy: 0.7570090542708561
Energy: 0.9593700891761779
Energy: 0.7570090542685725
Energy: 0.7570087445755036
Energy: 0.7566639573671561
Energy: 0.9558872889464604
Energy: 0.7566639573722939
Energy: 0.7577633463363362
Energy: 0.7565825037305963
Energy: 0.7679005508454975
Energy: 0.7565825037305963
Energy: 0.9528933349219972
Energy: 0.7573932253225119
Energy: 1.147767448628652
Energy: 0.7573932253270788
Energy: 0.9575630876318815
Energy: 0.797084961412717
Energy: 0.9525354716204705
Energy: 0.797084961412717
Energy: 0.9556292141692799
Energy: 0.7976912766249511
Energy: 1.1403076954073308
Energy: 0.797691276625522
Energy: 0.9591085637636617
Energy: 0.7585854083669021
Energy: 0.9559675943336927
Energy: 0.758585408358339
Energy: 0.9576895584599818
Energy: 0.7568519919451036
Energy: 0.7579888519864268
Energy: 0.756851991951954
Energy: 1.1276684681524023
Energy: 0.7569161921904665
Energy: 0.7572111488142586
Energy: 0.7569161921870413
Energy: 1.139416139035847
Energy: 0.7571737740876755
Energy: 0.758020424598575
Energy: 0.757173774113339

minimum gb energy = 0.7504662098840013 eV
minimum distance =  2.53003994619585 Angstroms
sigma value = 37


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

Energy: 0.8590775270703092
Energy: 0.6916875163260444
Energy: 0.6922722276725168
Energy: 0.6821659731791734
Energy: 1.023471596193709
Energy: 0.6907467760155085
Energy: 0.6929079207258317
Energy: 0.6907467760145264
Energy: 0.8523083911953877
Energy: 0.6908115442824377
Energy: 0.6970442754578753
Energy: 0.6908115442824377
Energy: 0.8571952755149382
Energy: 0.7686563418946
Energy: 0.6967188903367065
Energy: 0.7686563418946
Energy: 1.0233556936748929
Energy: 0.677579862913064
Energy: 0.850130037089533
Energy: 0.677579862913064
Energy: 0.8515021911307815
Energy: 0.6782014170536963
Energy: 0.6796150316168378
Energy: 0.6782014170527142
Energy: 0.853591051221253
Energy: 0.6791895570085547
Energy: 0.6818224723257376
Energy: 0.6791895570095368
Energy: 0.8535866680627724
Energy: 0.6806529142051323
Energy: 0.8570740528424468
Energy: 0.6806529142041501
Energy: 0.8514861423586166
Energy: 0.6772621404844057
Energy: 0.8556524842909323
Energy: 0.6772621404844057
Energy: 0.8509396009182761
Energy: 0.6778231211465816
Energy: 0.6806054149309694
Energy: 0.6778231211475638
Energy: 0.8571356241538747
Energy: 0.8568579896709094
Energy: 1.5269574019291545
Energy: 0.8568579896699272
Energy: 0.8517046830152544
Energy: 0.677492963703078
Energy: 0.6805514353182571
Energy: 0.677492963703078
Energy: 0.8512557799933013
Energy: 0.6771271399731909
Energy: 0.8573214942001478
Energy: 0.6771271399722087
Energy: 0.8548110658128413
Energy: 0.7584645931704114
Energy: 0.8574290698117579
Energy: 0.7584645931704114
Energy: 0.8501300370914974
Energy: 0.756424751362817
Energy: 0.6813565868219703
Energy: 0.7564247513667456
Energy: 1.0246207179564006
Energy: 0.7563867425320175
Energy: 0.8515286951552098
Energy: 0.7563867425320175
Energy: 1.0239238572788856
Energy: 0.7565796242361218
Energy: 0.8536739622163899
Energy: 0.7565796242361218
Energy: 0.8570740528463755
Energy: 0.6921485880500166
Energy: 0.6953314119635418
Energy: 0.692148588051981
Energy: 0.8556524842938787
Energy: 0.6909436679124514
Energy: 0.6916194861170571
Energy: 0.6909436679153979
Energy: 0.8511514322014596
Energy: 0.6909557321770854
Energy: 0.6911676673855216
Energy: 0.6909557321770854

minimum gb energy = 0.6771271399722087 eV
minimum distance =  2.5263448325369 Angstroms
sigma value = 25


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

Energy: 1.1679553210804634
Energy: 0.5915439834811766
Energy: 0.8317888608712679
Energy: 0.5879096201014279
Energy: 1.1267381532624996
Energy: 0.5902920507945861
Energy: 0.8579686179249321
Energy: 0.5902920507945861
Energy: 1.1316428901395426
Energy: 0.59090814241824
Energy: 0.860141980878048
Energy: 0.59090814241824
Energy: 1.1319209128524528
Energy: 0.590819917347234
Energy: 1.0139834598003208
Energy: 0.590819917347234
Energy: 1.1254366673923475
Energy: 0.6551270645880547
Energy: 0.8579940170865085
Energy: 0.6551270645888216
Energy: 1.1332159380383244
Energy: 0.6539681335664169
Energy: 0.8576211481587626
Energy: 0.6539681335656674
Energy: 0.9909060474325898
Energy: 0.5867424169125297
Energy: 1.1166854760176883
Energy: 0.5867424169117627
Energy: 0.8586028588317823
Energy: 0.5853700386049006
Energy: 0.9971503066711209
Energy: 0.5853700386033669
Energy: 0.8596241686533692
Energy: 0.5849821652309788
Energy: 1.115333558893363
Energy: 0.5849821652302117
Energy: 0.8579963460803189
Energy: 0.5838384251974239
Energy: 1.1147124064917473
Energy: 0.5838384251958901
Energy: 0.7251681341601283
Energy: 0.5850780118689012
Energy: 1.27595332908697
Energy: 0.5850780118689012
Energy: 0.7250041691309019
Energy: 0.5839556271825233
Energy: 1.1147044783537452
Energy: 0.5839556271848241
Energy: 0.7237798034193097
Energy: 0.5863679075652235
Energy: 1.1156286994350852
Energy: 0.5863679075659904
Energy: 0.7258253687792335
Energy: 0.5858358758757227
Energy: 1.1154647273643499
Energy: 0.5858358758741888
Energy: 0.991703719049575
Energy: 0.5838795957169453
Energy: 1.116798712678476
Energy: 0.5838795957177121
Energy: 0.9892015529326678
Energy: 0.5846809193009695
Energy: 1.1313964487291805
Energy: 0.5846809193009695
Energy: 1.1251346204505774
Energy: 0.5854651167472481
Energy: 1.1314872388338195
Energy: 0.585465116748782
Energy: 0.9938008466355306
Energy: 0.6505231136020776
Energy: 1.119519528260642
Energy: 0.6505231136036114
Energy: 1.1262008066725913
Energy: 0.6471587421865608
Energy: 1.133715220535122
Energy: 0.6471587421873276
Energy: 1.1266658510262082
Energy: 0.6472115491987979
Energy: 1.133423543621882
Energy: 0.6472115491987979
Energy: 0.9961762862924669
Energy: 0.5911782634680224
Energy: 0.7480107096035385
Energy: 0.5911782634672554
Energy: 1.1265417877095867
Energy: 0.5902370906562607
Energy: 0.7241531686373173
Energy: 0.590237090654727
Energy: 1.1326054114506952
Energy: 0.5910171223071793
Energy: 0.5851409717466207
Energy: 0.5910171223071793
Energy: 1.1322253249473708
Energy: 0.5912094303380934
Energy: 0.5918033490825179
Energy: 0.5912094303350256
Energy: 1.125298060677075
Energy: 0.590451285656786
Energy: 0.5909907352377818
Energy: 0.5904512856590868
Energy: 1.1323735695315074
Energy: 0.5904215941867464
Energy: 0.5910685850650653
Energy: 0.5904215941875133

minimum gb energy = 0.5838384251958901 eV
minimum distance =  2.53338244474611 Angstroms
sigma value = 41


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

Energy: 1.4227307549044759
Energy: 0.5198390436865445
Energy: 0.7660721606220081
Energy: 0.5185866399370175
Energy: 1.39432987838994
Energy: 0.5182859803998435
Energy: 0.7431375492233798
Energy: 0.5182859803992147
Energy: 1.3858896408406598
Energy: 0.5174835465294846
Energy: 0.7445406822529056
Energy: 0.5174835465294846
Energy: 1.3951354620927918
Energy: 0.5179207361039433
Energy: 0.7480218163459503
Energy: 0.5179207361045721
Energy: 1.3898498924928695
Energy: 0.5170762584359683
Energy: 1.18190041189128
Energy: 0.5170762584353394
Energy: 1.3898888852259108
Energy: 0.519410900047449
Energy: 1.1790910621093156
Energy: 0.5194109000480779
Energy: 1.3927689698845473
Energy: 0.5711806355687167
Energy: 1.1845346964949677
Energy: 0.5711806355712318
Energy: 1.1818790662934893
Energy: 0.5700162649821433
Energy: 1.184481891878141
Energy: 0.5700162649834007
Energy: 0.9693135359609031
Energy: 0.5180898766508402
Energy: 1.3933100391282134
Energy: 0.5180898766495826
Energy: 0.968095979991427
Energy: 0.5172376432365692
Energy: 1.3913592794397116
Energy: 0.517237643229024
Energy: 0.7458066202895444
Energy: 0.5186810791751971
Energy: 1.3882368643297365
Energy: 0.5186810791745684
Energy: 0.7452318154974962
Energy: 0.5176992829347218
Energy: 1.3914560684414068
Energy: 0.5176992829347218
Energy: 0.7440668154079
Energy: 0.5180784421681452
Energy: 1.3928614079676487
Energy: 0.5180784421681452
Energy: 0.5195499828743946
Energy: 0.5179319173185383
Energy: 1.3883275928100345
Energy: 0.5179319173185383
Energy: 0.5186237268752949
Energy: 0.5186951197104193
Energy: 1.3895693309641088
Energy: 0.5186951197104193
Energy: 0.5190455740236211
Energy: 0.5184454019685429
Energy: 1.3859724145745984
Energy: 0.5184454019679142
Energy: 0.7442575439484743
Energy: 0.5180457701486421
Energy: 1.385539140494242
Energy: 0.5180457701480133
Energy: 0.7456078945859776
Energy: 0.5178893692730341
Energy: 1.389478638681365
Energy: 0.5178893692724055
Energy: 0.7442906106766798
Energy: 0.51785113895019
Energy: 1.391116672386009
Energy: 0.5178511389495613
Energy: 1.1775881630152423
Energy: 0.5182948514263572
Energy: 1.3900865521512775
Energy: 0.5182948514276148
Energy: 1.1863233506164925
Energy: 0.5180411049135722
Energy: 1.3894009290986793
Energy: 0.5180411049129436
Energy: 1.1781444844545237
Energy: 0.5697172497382417
Energy: 1.3941401962691473
Energy: 0.5697172497382417
Energy: 1.394148219272212
Energy: 0.5698676097303944
Energy: 1.3881126850700485
Energy: 0.5698676097297656
Energy: 1.183334488148046
Energy: 0.5703611613263938
Energy: 1.1777182538386424
Energy: 0.5703611613270225
Energy: 1.389353615277007
Energy: 0.5175984594114423
Energy: 0.9730703055980099
Energy: 0.5175984594126998
Energy: 1.3937306741705513
Energy: 0.5178745186946723
Energy: 1.1770143923562364
Energy: 0.5178745186940434
Energy: 1.3884996869459618
Energy: 0.5178977858336145
Energy: 0.7441000222933366
Energy: 0.5178977858323569
Energy: 1.388857702381787
Energy: 0.5182707300145065
Energy: 0.7462400202780392
Energy: 0.5182707300145065
Energy: 1.3888188107583928
Energy: 0.5176869240794103
Energy: 0.7440741600306408
Energy: 0.5176869240812966
Energy: 1.3889249248202002
Energy: 0.5178455787947294
Energy: 0.5190959489715721
Energy: 0.5178455787953582
Energy: 1.3897753777547752
Energy: 0.5184664495838566
Energy: 0.518502894314442
Energy: 0.5184664495832279
Energy: 1.3853523840965478
Energy: 0.5178698216436695
Energy: 0.5199402208870388
Energy: 0.5178698216430407

minimum gb energy = 0.5170762584353394 eV
minimum distance =  2.54204741711974 Angstroms
sigma value = 15


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

Energy: 1.595601329577389
Energy: 0.4731461878297976
Energy: 0.72510381223059
Energy: 0.4693939783862878
Energy: 1.5823105841345468
Energy: 0.4697381088948963
Energy: 0.6633120810197234
Energy: 0.4697381088959616
Energy: 1.584778498781829
Energy: 0.4697874659316667
Energy: 0.6639284988107322
Energy: 0.46978746593006876
Energy: 1.5926539836061024
Energy: 0.47055138281940734
Energy: 0.8040703765203093
Energy: 0.47055138281621145
Energy: 1.5796716748827253
Energy: 0.46914203426775336
Energy: 1.0420246129553647
Energy: 0.4691420342693513
Energy: 1.5853352736134583
Energy: 0.46944886543086156
Energy: 1.0390141993528044
Energy: 0.4694488654260677
Energy: 1.3130425295665944
Energy: 0.470004893202272
Energy: 1.403826653455446
Energy: 0.4700048932033131
Energy: 1.4027642029974956
Energy: 0.5172793686463201
Energy: 1.1352247613737185
Energy: 0.5172793686489834
Energy: 1.3122108916766624
Energy: 0.5148413887994074
Energy: 1.3978618245062773
Energy: 0.51484138879994
Energy: 1.3108479041677596
Energy: 0.4700975423156338
Energy: 1.4968168954578138
Energy: 0.47009754235664813
Energy: 1.0445074347983385
Energy: 0.4683482372071267
Energy: 1.4971317069861014
Energy: 0.46834823720872465
Energy: 0.9502418303070709
Energy: 0.4674488765565666
Energy: 1.4966755798102478
Energy: 0.46744887655443595
Energy: 1.039751582263667
Energy: 0.46712271463135147
Energy: 1.5848387057377864
Energy: 0.4671227146356127
Energy: 0.6608639357613371
Energy: 0.4676995734549666
Energy: 1.4948247095448222
Energy: 0.46769957343741325
Energy: 0.6623822044768265
Energy: 0.46854556398879343
Energy: 1.574608363963919
Energy: 0.4685455639834669
Energy: 0.6608765039002291
Energy: 0.4676051433283922
Energy: 1.5864001154673606
Energy: 0.467605143325729
Energy: 0.567313762479129
Energy: 0.46806714532524857
Energy: 0.7002938237003009
Energy: 0.46806714532152
Energy: 0.5677739879292472
Energy: 0.46714594234622303
Energy: 1.5767749073551005
Energy: 0.4671459423515496
Energy: 0.5693237529554206
Energy: 0.4691947878091827
Energy: 1.5808369886149383
Energy: 0.46919478781184604
Energy: 0.7616559363677089
Energy: 0.4687175625406595
Energy: 1.5868144479651594
Energy: 0.46871756253746355
Energy: 0.7642963504431927
Energy: 0.46717814381058526
Energy: 1.5786766742210738
Energy: 0.46717814380951994
Energy: 0.7629776318780475
Energy: 0.46963929834410756
Energy: 1.5907108666047625
Energy: 0.46963929833771567
Energy: 1.0340809942141251
Energy: 0.4684193720193775
Energy: 1.5823378065659843
Energy: 0.4684193720188448
Energy: 1.0400159204755288
Energy: 0.46776964806127463
Energy: 1.5741720868165856
Energy: 0.46776964806180726
Energy: 1.037185200083484
Energy: 0.46779432321797054
Energy: 1.3168193420389405
Energy: 0.46779432321370934
Energy: 1.4025715245898938
Energy: 0.5128942402548835
Energy: 1.5748087814465768
Energy: 0.5128942402452956
Energy: 1.1314626809160742
Energy: 0.5134044589851122
Energy: 1.3141676626014218
Energy: 0.5134044590117208
Energy: 1.4025165993716684
Energy: 0.514666268780229
Energy: 1.3166369434094916
Energy: 0.5146662687812944
Energy: 1.491549272775257
Energy: 0.5138394875714998
Energy: 1.3135372294639676
Energy: 0.5138394875752282
Energy: 1.4898497707502543
Energy: 0.46939236367072495
Energy: 1.0376650601895696
Energy: 0.46939236366646375
Energy: 1.5793062104376159
Energy: 0.46909883780376704
Energy: 0.9501172207196587
Energy: 0.46909883780216904
Energy: 1.4938374202240394
Energy: 0.4699503724995431
Energy: 0.9651469262071073
Energy: 0.469950372504337
Energy: 1.5853909936499393
Energy: 0.4701977907066475
Energy: 0.6630828162762704
Energy: 0.4701977907055822
Energy: 1.5814826177630381
Energy: 0.46947189332672973
Energy: 0.6632943713277917
Energy: 0.4694718933299256
Energy: 0.7000443343735853
Energy: 0.47022597331373484
Energy: 0.4732728997880997
Energy: 0.47022597331373484
Energy: 1.5798039182718404
Energy: 0.46984136446709485
Energy: 0.47003968166802923
Energy: 0.4698413644660295
Energy: 1.5834823383357612
Energy: 0.4694989155359205
Energy: 0.4703120911819894
Energy: 0.46949891553538786

minimum gb energy = 0.46712271463135147 eV
minimum distance =  2.54163873131012 Angstroms
sigma value = 85


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

Energy: 1.7233214269650972
Energy: 0.4165587836867747
Energy: 0.41603829887291705
Energy: 0.35320194665278626
Energy: 1.7064431793689638
Energy: 0.4147531076651052
Energy: 0.5867168047005714
Energy: 0.41475310766602913
Energy: 1.7025310765917878
Energy: 0.41456209624013535
Energy: 0.5870372891035524
Energy: 0.41456209623967333
Energy: 1.390164366179743
Energy: 0.4159583288227794
Energy: 0.9188264900007658
Energy: 0.4159583288227794
Energy: 1.7039217594437133
Energy: 0.41411928560058325
Energy: 0.9208540031001525
Energy: 0.4141192856024311
Energy: 1.393607779310061
Energy: 0.4148991190052761
Energy: 0.9185120926541821
Energy: 0.41489911900666204
Energy: 1.3913092808036192
Energy: 0.41499574089767155
Energy: 1.2380656963414636
Energy: 0.41499574089720964
Energy: 1.5509994996850944
Energy: 0.4151108001537833
Energy: 0.9205215997084794
Energy: 0.4151108001519354
Energy: 1.398126345230839
Energy: 0.41453988140014514
Energy: 1.2358948852809486
Energy: 0.41453988139460146
Energy: 1.3969022754784093
Energy: 0.4951709953310688
Energy: 1.5474305194968685
Energy: 0.4951709953509127
Energy: 1.2396605567766026
Energy: 0.6391897518103026
Energy: 1.2345107839095963
Energy: 0.6391897518103026
Energy: 1.0812994241702756
Energy: 0.41465445107818705
Energy: 1.547333099282211
Energy: 0.41465445107911103
Energy: 1.2365811069682502
Energy: 0.4144404779142317
Energy: 1.5485198379239602
Energy: 0.41444047791192196
Energy: 0.9221771247626633
Energy: 0.4151928649729323
Energy: 1.2330874095677204
Energy: 0.4151928649743182
Energy: 0.7597253823337129
Energy: 0.4142615283645787
Energy: 1.703548485068904
Energy: 0.4142615283641168
Energy: 0.9197329076078538
Energy: 0.4148489542621433
Energy: 1.5496481679144671
Energy: 0.4148489542621433
Energy: 0.5895603326871754
Energy: 0.4155124546529058
Energy: 1.5457911566591214
Energy: 0.4155124546510579
Energy: 0.589148161086112
Energy: 0.4145151957037972
Energy: 1.7031756875491229
Energy: 0.4145151957047211
Energy: 0.5900703504495256
Energy: 0.4154398153014774
Energy: 1.6986940956479626
Energy: 0.4154398152936239
Energy: 0.41607513836249876
Energy: 0.41531901468927407
Energy: 1.698618915046622
Energy: 0.415319014690198
Energy: 0.4147171473093104
Energy: 0.41452875815771784
Energy: 1.7036351665349414
Energy: 0.4145287581572559
Energy: 0.41623796335352164
Energy: 0.4159216585420985
Energy: 1.6989243304817265
Energy: 0.4159216585411745
Energy: 0.588423042683686
Energy: 0.4151242372514008
Energy: 1.7001807863914506
Energy: 0.4151242372518628
Energy: 0.5886336938332122
Energy: 0.4143244013230694
Energy: 1.7052033322021865
Energy: 0.4143244013230694
Energy: 0.5891289416141079
Energy: 0.416906274802383
Energy: 1.390282882226194
Energy: 0.41690627480330694
Energy: 0.9186298085691419
Energy: 0.4145032078732508
Energy: 1.7009709507628488
Energy: 0.41450320787602263
Energy: 0.9200873298493707
Energy: 0.4142548457056731
Energy: 1.7023462511689214
Energy: 0.4142548457139886
Energy: 0.9186888745606273
Energy: 0.4153772578469827
Energy: 1.3913983292317071
Energy: 0.41537725784051505
Energy: 1.240447200285058
Energy: 0.4141842129262706
Energy: 1.7048487916218453
Energy: 0.4141842129258086
Energy: 1.2379455274405204
Energy: 0.4144298228428109
Energy: 1.394157044449671
Energy: 0.41442982283403346
Energy: 1.3961274566179802
Energy: 0.4951573204558688
Energy: 1.0793222983369566
Energy: 0.495157320453559
Energy: 1.234519586582765
Energy: 0.49489059134215196
Energy: 1.395540734016152
Energy: 0.4948905913439998
Energy: 1.549738360201543
Energy: 0.414428079662588
Energy: 1.078047962099099
Energy: 0.4144280796667457
Energy: 1.5488742613135822
Energy: 0.4140926433244764
Energy: 1.0792601120881726
Energy: 0.41409264332218754
Energy: 1.2327971766257166
Energy: 0.4158919333650208
Energy: 0.9185595534710991
Energy: 0.4158919333701025
Energy: 1.706837052194518
Energy: 0.41418193394372155
Energy: 0.9202147478931565
Energy: 0.41418193394279756
Energy: 1.7005737847506253
Energy: 0.41437597225273576
Energy: 0.9185404661216695
Energy: 0.4143759722522737
Energy: 1.545944424980181
Energy: 0.41659333432169904
Energy: 0.5891629214817337
Energy: 0.4165933343212371
Energy: 1.70475326547942
Energy: 0.41414399446053773
Energy: 0.5886579942618243
Energy: 0.41414399446053773
Energy: 1.699402609559557
Energy: 0.4151338440660186
Energy: 0.5883915060467722
Energy: 0.41513384406555665
Energy: 1.5446439550927944
Energy: 0.41588698326801926
Energy: 0.41601435428086186
Energy: 0.41588698326617135
Energy: 1.703177282175754
Energy: 0.41425816521594155
Energy: 0.41454188619851395
Energy: 0.41425816521778946
Energy: 1.6991597527096653
Energy: 0.41549948784766966
Energy: 0.4162052579345305
Energy: 0.41549948784766966

minimum gb energy = 0.35320194665278626 eV
minimum distance =  2.54551477396224 Angstroms
sigma value = 113


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

Energy: 0.010092200749687148
Energy: 0.3616368482429998
Energy: 1.5436180528318872
Energy: 0.01078635229959302
Energy: 1.250900055544048
Energy: 0.09537680408217339
Energy: 1.248800490726795
Energy: 0.09537680408252854
Energy: 0.010660994841597066
Energy: 0.09421111037635119
Energy: 1.2487202739888514
Energy: 0.09421111037566066
Energy: 0.011461580584844894
Energy: 0.09495108075038168
Energy: 1.25612873972829
Energy: 0.09495108075038168
Energy: 1.2540070681568074
Energy: 0.09743766602434886
Energy: 1.2523692618508242
Energy: 0.09743766602434886
Energy: 0.010605997577109777
Energy: 0.09424497039259475
Energy: 1.2481712379611776
Energy: 0.09424497039294989

minimum gb energy = 0.010092200749687148 eV
minimum distance =  2.81446444933938 Angstroms
sigma value = 1