Model name: model_name=Sim_LAMMPS_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6122690513730054
cohesive_energy=4.26123621847027
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 1.5743900846365378e-20, 1.7571872233394998e-19, 3.38028828417954e-19, 4.45465986964092e-19, 5.017760869426559e-19, 5.286926543938559e-19, 5.5183769804862e-19, 5.722269978929039e-19, 5.902018175497499e-19, 6.06032924870304e-19, 6.199366137001559e-19, 6.32095532175582e-19, 6.426602849001779e-19, 6.51762250357932e-19, 6.595119787365899e-19, 6.66005600634192e-19, 6.713264292357059e-19, 6.755481646662961e-19, 6.787380983445899e-19, 6.80953908629412e-19, 6.822500695263181e-19, 6.8267144198106e-19, 6.822180259936379e-19, 6.80750432196894e-19, 6.780876146311859e-19, 6.74016483804192e-19, 6.682758849245699e-19, 6.60543780488886e-19, 6.50342721860208e-19, 6.3717763645863e-19, 6.204701385192779e-19, 5.995216790297279e-19, 5.734478564880119e-19, 5.411351581335e-19, 5.011608511152e-19, 4.51736906309568e-19, 3.9066834172802395e-19, 3.153083615712e-19, 2.2204565970605996e-19, 1.0547545347546839e-19, -4.12618161613824e-20, -2.275891908597e-19, -4.7127224600793e-19, -8.1481897075338e-19, -1.28771742604482e-18, -1.9211700018294e-18, -2.75859568488852e-18, -3.95739230774634e-18, -5.83701786945612e-18, -8.91636931647144e-18, -1.492480406399922e-17, -2.90625228347796e-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: 0.016458607755203192
Energy: 0.01741769650178144
Energy: 0.017026706983001558
Energy: 0.016727297621890444
Energy: 0.9847419370890068
Energy: 0.0169215023181829
Energy: 0.017417696501467357
Energy: 0.12370208862924491
Energy: 0.12530997259441057
Energy: 0.12361555404645368
Energy: 0.12359104506078436
Energy: 0.1250687842672677
Energy: 0.01702670698331564
Energy: 0.12530997259626014
Energy: 0.12484879197946933
Energy: 0.01708885569651091
Energy: 0.12370053683875476
Energy: 0.12440759795144413
Energy: 0.016727297621262273
Energy: 0.12361555404582551
Energy: 0.017088855695289482
Energy: 0.016747309101315538
Energy: 0.12361292029997838
Energy: 0.01683997214353712
Energy: 0.9847419370883785
Energy: 0.12359104506141254
Energy: 0.12370053683844066
Energy: 0.12361292029903613
Energy: 0.12358796138628733
Energy: 0.1234881543860783
Energy: 0.016921502317554737
Energy: 0.12506878426758178
Energy: 0.12440759795235148
Energy: 0.01683997214353712
Energy: 0.12348815438729972
Energy: 0.016959392592163513

minimum gb energy = 0.016458607755203192 eV
minimum distance =  2.55051564539218 Angstroms
sigma value = 1


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

Energy: 1.8909094585142932
Energy: 0.5483312424400337
Energy: 0.73918916653132
Energy: 1.1029830223027781
Energy: 0.803945501496453
Energy: 0.7365391351164841
Energy: 1.7656225938704284
Energy: 0.7484296318518125
Energy: 0.6403439774306267
Energy: 0.6597293488442799
Energy: 0.8099293975896373
Energy: 0.6506197425063219
Energy: 1.8030041515174997
Energy: 0.6697120279477271
Energy: 0.6472058449724195
Energy: 0.7418002433598284
Energy: 0.8288428823658169
Energy: 0.7198234188341966
Energy: 1.9314157473265225
Energy: 0.7265088773541221
Energy: 0.6343537048005482
Energy: 0.6125574777826975
Energy: 0.6305440748070578
Energy: 0.6344156262743258
Energy: 1.8438386549031973
Energy: 0.6229225650033565
Energy: 0.6281785662064641
Energy: 0.6502452912539594
Energy: 0.6590000041386125
Energy: 0.6336971304987008
Energy: 1.650146521972547
Energy: 0.63398013345612
Energy: 0.5881997628720463
Energy: 0.6440623073921459
Energy: 0.5771066054323469
Energy: 0.6280572407056322
Energy: 1.6494627794489984
Energy: 0.6484623006432737
Energy: 0.6508414171376611
Energy: 0.6186769501419532
Energy: 0.6465119843113273
Energy: 0.6039265139228646
Energy: 1.5967019938131208
Energy: 0.6227771367563693
Energy: 0.5944610469101234
Energy: 0.688839363829096
Energy: 0.607271905016536
Energy: 0.5916076438352185
Energy: 1.15020902887491
Energy: 0.6079998088730529
Energy: 0.6133939580707707
Energy: 0.6263294759709511
Energy: 0.6032941972190599
Energy: 0.5928038971610293
Energy: 1.1882495449893802
Energy: 0.6052898999143528
Energy: 0.6251426920471544
Energy: 0.6211540048858989
Energy: 0.5612907129788094
Energy: 0.6537424443883056
Energy: 1.3683800815696325
Energy: 0.6231017362982789
Energy: 0.6107334732846131
Energy: 0.6095770741467501
Energy: 0.6543007787063932
Energy: 0.6102337123361158
Energy: 0.9370700259160494
Energy: 0.6526008570461104
Energy: 0.6982302627043029
Energy: 0.9024225521877051
Energy: 0.6725574548564788
Energy: 0.6845384071657854
Energy: 0.9815417731725897
Energy: 0.6475978096781754
Energy: 0.6774561797503205
Energy: 0.981978721573285
Energy: 0.7155029479552653
Energy: 0.6510856315720926
Energy: 0.7573471490528777
Energy: 0.6528328049796731
Energy: 0.6719495641159088
Energy: 0.8056276267862389
Energy: 0.6482585273067161
Energy: 0.6248588241621574
Energy: 1.0663638776070603
Energy: 0.6025139553651518
Energy: 0.6817639773920946
Energy: 0.8527561583237491
Energy: 0.5046930752463482
Energy: 0.6624314208464832
Energy: 1.044021748059913
Energy: 0.6204663449971922
Energy: 0.6434484181625273
Energy: 0.7813276652460922
Energy: 0.6121353606083934
Energy: 0.7043608076253788
Energy: 1.5386334012401706
Energy: 0.6130982875984183
Energy: 0.6209672170748955
Energy: 0.6442409978906701
Energy: 0.6214026225321333
Energy: 0.6345122181748737
Energy: 1.3891447670181434
Energy: 0.6288545497224637
Energy: 0.5968115281109221
Energy: 0.6012070158564152
Energy: 0.6167020359605179
Energy: 0.6143429569748198
Energy: 1.3866522404186927
Energy: 0.6013394793846374
Energy: 0.5979477060144679
Energy: 0.6079283996201073
Energy: 0.5987686649524349
Energy: 0.5978077717977411
Energy: 1.773992670482039
Energy: 0.6302248153245085
Energy: 0.6104404896719718
Energy: 0.6275051189503678
Energy: 0.5863470024676709
Energy: 0.6119826348785057
Energy: 1.7899794141765082
Energy: 0.6350673837511854
Energy: 0.6430967439121558
Energy: 0.575505610607075
Energy: 0.7012754923884419
Energy: 0.6733351918376288
Energy: 1.7413270269680954
Energy: 0.6629883029542045
Energy: 0.7078783830798192
Energy: 0.6039816042528222
Energy: 0.7271396923877371
Energy: 0.6970505032987505
Energy: 1.7665734126569992
Energy: 0.7326536364901213
Energy: 0.6476768935542123
Energy: 0.6334467912675114
Energy: 0.8495374669380436
Energy: 0.6435142581515989

minimum gb energy = 0.5046930752463482 eV
minimum distance =  2.33829654939121 Angstroms
sigma value = 33


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

Energy: 2.088569955731637
Energy: 1.4854915029479372
Energy: 1.2284114757393525
Energy: 1.2280676440609515
Energy: 0.8256098477398126
Energy: 1.2281876136570116
Energy: 1.8546548040841189
Energy: 0.8246483490387073
Energy: 0.794050417894453
Energy: 0.7450296874365645
Energy: 0.829215654957474
Energy: 0.796153739612364
Energy: 1.6667508287181785
Energy: 0.7913896962021366
Energy: 0.7716058524291012
Energy: 0.792862175097735
Energy: 0.9333554150489392
Energy: 0.7708742292890423
Energy: 1.6684320540925088
Energy: 0.7355967757041172
Energy: 0.7519936004125831
Energy: 0.6988939173207273
Energy: 0.7357293401586477
Energy: 0.7018650056830716
Energy: 1.7957409632841932
Energy: 0.78945239873059
Energy: 0.7963225846683104
Energy: 0.7922993236616991
Energy: 0.8078878873018186
Energy: 0.7399020373665265
Energy: 1.6582822822483037
Energy: 0.797037286619815
Energy: 0.7464144354906356
Energy: 0.7452977224684592
Energy: 0.7960014727642227
Energy: 0.7470079791037699
Energy: 1.6585200582728212
Energy: 0.750994937370935
Energy: 0.746359671664038
Energy: 0.6932326295118585
Energy: 0.798851828784663
Energy: 0.7465335866508918
Energy: 1.5986523969648743
Energy: 0.6977627149465581
Energy: 0.6874889285818401
Energy: 0.7531489849210439
Energy: 0.6931056763478732
Energy: 0.7351741956757213
Energy: 1.100497255593791
Energy: 0.6970356900675159
Energy: 0.7939278775176437
Energy: 0.7932835575687889
Energy: 0.6927290432121231
Energy: 0.7775529204113141
Energy: 1.1037405673921592
Energy: 0.7411037637128345
Energy: 0.7409515593302081
Energy: 0.7933294879912017
Energy: 0.7334587383292817
Energy: 0.8032536409341652
Energy: 1.2606310977464117
Energy: 0.7178989652697738
Energy: 0.7183892266664854
Energy: 0.7256398107027014
Energy: 0.7367178838207391
Energy: 0.7166110158915688
Energy: 0.848132999821641
Energy: 0.8042395620791667
Energy: 0.7317491234026691
Energy: 0.8490596546460387
Energy: 0.7311586967303486
Energy: 0.8168530171824444
Energy: 0.941624989580143
Energy: 0.7716816767663437
Energy: 0.7702603637077201
Energy: 0.9407499536253773
Energy: 0.8081246405715976
Energy: 0.7817964928876908
Energy: 1.2570176651421958
Energy: 0.7019147377940558
Energy: 0.7015890538680617
Energy: 0.8998774673622971
Energy: 0.7059404622604337
Energy: 0.7176233844205459
Energy: 1.2005131267714804
Energy: 0.7384045134102653
Energy: 0.7418351591219444
Energy: 0.9031795832051918
Energy: 0.7463511768408077
Energy: 0.7396238846112778
Energy: 1.100984275783955
Energy: 0.7537909999692459
Energy: 0.7852263720099165
Energy: 0.7466480848789127
Energy: 0.7457984792241917
Energy: 0.7461810844988717
Energy: 1.5827814255252854
Energy: 0.6932422221750072
Energy: 0.7472079438964406
Energy: 0.7321722181819621
Energy: 0.6927708233817043
Energy: 0.746534124953172
Energy: 1.3746813182466058
Energy: 0.7845638420128843
Energy: 0.8043984430131724
Energy: 0.6929969448996826
Energy: 0.787198036919637
Energy: 0.756745447425663
Energy: 1.3746696064279549
Energy: 0.7749994649076343
Energy: 0.805118092660062
Energy: 0.692797264357957
Energy: 0.7762683053613174
Energy: 0.7945719126215256
Energy: 1.8597415150575969
Energy: 0.7913901627891881
Energy: 0.7906704694057696
Energy: 0.751878435919618
Energy: 0.7732727551907427
Energy: 0.6931719898771894
Energy: 1.958438425718255
Energy: 0.7398792278813171
Energy: 0.7142442212911547
Energy: 0.7320667713900965
Energy: 0.7438649539619068
Energy: 0.7140870109162238
Energy: 1.9063619023041847
Energy: 0.8234004507402694
Energy: 0.7744838866721045
Energy: 0.7399705266971445
Energy: 0.825133306377529
Energy: 0.7319605518747101
Energy: 1.7801323132596154
Energy: 0.9321107725049692
Energy: 0.767159625387773
Energy: 0.8103052644814972
Energy: 0.9356665403578804
Energy: 0.7866847811342514
Energy: 1.7465453771718389
Energy: 0.8998651526265995
Energy: 0.7349992841006817
Energy: 0.8517879597324328
Energy: 0.9018337475786065
Energy: 1.0460775040275103
Energy: 1.7798366066453708
Energy: 0.8091687941025795
Energy: 0.6791254454947747
Energy: 0.8993615377439328
Energy: 0.8436595191942267
Energy: 0.6841191667060507
Energy: 1.6619316893680143
Energy: 0.7194345356590801
Energy: 0.6717258240591983
Energy: 0.7460860652366679
Energy: 0.7269685748934368
Energy: 0.7522731356545574
Energy: 1.6590908414054182
Energy: 0.6734313848157493
Energy: 0.6734925969175773
Energy: 0.6851414112654096
Energy: 0.7289703830887567
Energy: 0.70065136724799
Energy: 1.5501014840498752
Energy: 0.6960792044463155
Energy: 0.6934350005677058
Energy: 0.7976416388527883
Energy: 0.692738413358204
Energy: 0.7461958836803547
Energy: 1.1099766794913655
Energy: 0.6961293223814051
Energy: 0.7571520233958079
Energy: 0.7707192818147361
Energy: 0.692982367127119
Energy: 0.8038961605194619
Energy: 1.1071986324036849
Energy: 0.7475741715349673
Energy: 0.7671002443223418
Energy: 0.8000500805815025
Energy: 0.7348758005792473
Energy: 0.7978597498406098
Energy: 1.2612852377626975
Energy: 0.7317554012625028
Energy: 0.7144474925387305
Energy: 0.7914520208981393
Energy: 0.7372782499424072
Energy: 0.714594420646972
Energy: 0.8482402751662448
Energy: 0.7910907651931384
Energy: 0.7146079534348186
Energy: 0.8256348822327193
Energy: 0.7292718283785631
Energy: 0.7963225496630744
Energy: 0.9428888075352835
Energy: 0.6918724350229972
Energy: 0.7518195925568485
Energy: 0.944030533818918
Energy: 1.0153813705525478
Energy: 0.7977298715012663
Energy: 0.8542677817066213
Energy: 0.9950500307314664
Energy: 1.0444008388897972
Energy: 0.8048937632242774
Energy: 0.7575348028223776
Energy: 1.044049541368216
Energy: 0.85908061982927
Energy: 0.6930850878382028
Energy: 0.6851358868212513
Energy: 0.8912644306106712
Energy: 0.6802425404850153
Energy: 0.7260145847945821
Energy: 1.1013126842815595
Energy: 0.6676901551621948
Energy: 0.6692468249023126
Energy: 0.7462512438925445
Energy: 0.6677873068447672
Energy: 0.6665810010265543
Energy: 1.6835920428170987
Energy: 0.6900224383359322
Energy: 0.6799184874206059
Energy: 0.676103381573085
Energy: 0.6901437214755415
Energy: 0.680877435402885
Energy: 1.3751989333677492
Energy: 0.7997421072497821
Energy: 0.7906448186549129
Energy: 0.6928303491055637
Energy: 0.7953333508485648
Energy: 0.7667033600937055
Energy: 1.3685393127371883
Energy: 0.7740339845133575
Energy: 0.8034178841154342
Energy: 0.7175757433661513
Energy: 0.773018812299928
Energy: 0.7173559466615131
Energy: 1.7549745703839104
Energy: 0.7926969333321584
Energy: 0.7932729759358685
Energy: 0.7318218215106028
Energy: 0.7718545761054108
Energy: 0.7093579416416903
Energy: 1.957801244131369
Energy: 0.7478751378248629
Energy: 0.7139408471626473
Energy: 0.7290256404790177
Energy: 0.8426949609048029
Energy: 0.7154785023202903

minimum gb energy = 0.6665810010265543 eV
minimum distance =  2.32388619809075 Angstroms
sigma value = 51


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

Energy: 1.9373800261132434
Energy: 1.4339839767692568
Energy: 1.1310783382969494
Energy: 0.911327591301692
Energy: 1.1558402628123081
Energy: 1.0043975983045108
Energy: 1.6702034596813353
Energy: 0.6222628611013177
Energy: 0.727649241878974
Energy: 0.7567607162612312
Energy: 0.7891514997180418
Energy: 0.7202243315561588
Energy: 1.681829190977604
Energy: 0.6199817762144758
Energy: 0.6640290942248841
Energy: 0.8827424793150161
Energy: 0.6722920902849719
Energy: 0.6959690867338216
Energy: 1.7155652300470265
Energy: 0.6993794861420259
Energy: 0.6524664324230869
Energy: 0.7575661259473953
Energy: 0.7167239256089979
Energy: 0.7839227888560597
Energy: 1.752530429775344
Energy: 0.7458751567146589
Energy: 0.7505999808601206
Energy: 0.6764754948760746
Energy: 0.6939990218074137
Energy: 0.6709035097576008
Energy: 1.3313907874591813
Energy: 0.7303467621870536
Energy: 0.7591301475573641
Energy: 0.7073249592263708
Energy: 0.7168720797266519
Energy: 0.7861391668399763
Energy: 1.3318693826505583
Energy: 0.6961730384438883
Energy: 0.7013604469589478
Energy: 0.6898866866317442
Energy: 0.6988967299302558
Energy: 0.7501465590833132
Energy: 1.5613444897139304
Energy: 0.7557118372107418
Energy: 0.749711791270902
Energy: 0.6225323564579477
Energy: 0.7868931292279127
Energy: 0.7357995130246461
Energy: 0.9600702189323824
Energy: 0.7575592063659679
Energy: 0.834336100123506
Energy: 0.7108035291811
Energy: 0.7692474302338225
Energy: 0.5761678362089415
Energy: 0.9447514810954915
Energy: 0.7590966757523382
Energy: 0.698017544323885
Energy: 0.9451612764044959
Energy: 0.7155730739681835
Energy: 0.7383252236324905
Energy: 1.0164494162676465
Energy: 0.9177256030711397
Energy: 0.8037719038194729
Energy: 0.8060568856606337
Energy: 0.7685438400762107
Energy: 0.856119033272049
Energy: 1.111197024063702
Energy: 0.7034388048252832
Energy: 0.7708268246779848
Energy: 0.8745278284775307
Energy: 0.7209658293105276
Energy: 0.7354514386208224
Energy: 1.0424699257868648
Energy: 0.7585651327449092
Energy: 0.7618105560486722
Energy: 0.7811247280420076
Energy: 0.7530257732634882
Energy: 0.7382400748833399
Energy: 1.536425086100615
Energy: 0.7256487071739912
Energy: 0.7290933708507054
Energy: 0.7461988076500542
Energy: 0.7186011434712355
Energy: 0.7253801853081967
Energy: 1.4870738908926415
Energy: 0.8366174162775709
Energy: 0.7525566085315519
Energy: 0.6847163282274991
Energy: 0.8021067193352791
Energy: 0.788518991664001
Energy: 1.5016251249948862
Energy: 0.7304307221608378
Energy: 0.7565744250682235
Energy: 0.6620952093212228
Energy: 0.7460766812309039
Energy: 0.7732209828788718
Energy: 1.706304886501566
Energy: 0.7878619402931469
Energy: 0.7664923621646021
Energy: 0.7502981623267703
Energy: 0.7768842621971392
Energy: 0.7027608002992344
Energy: 1.8895427240717975
Energy: 0.6096575091736107
Energy: 0.7511374669682961
Energy: 0.8253266338097003
Energy: 0.6053080377043724
Energy: 0.6444953238947062

minimum gb energy = 0.5761678362089415 eV
minimum distance =  2.31769327372321 Angstroms
sigma value = 19


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

Energy: 1.617287270209918
Energy: 1.171878722119163
Energy: 1.170691394684883
Energy: 0.8112592525915544
Energy: 1.0212777239129214
Energy: 1.1704121440240176
Energy: 1.7004633648153231
Energy: 0.8690336072754685
Energy: 0.9035783421439365
Energy: 0.8595591946945982
Energy: 0.8671023695102724
Energy: 0.9022408656278664
Energy: 0.8026523544247686
Energy: 0.9005966233155064
Energy: 0.8972780486554582
Energy: 0.8862109518144822
Energy: 0.8538701724901774
Energy: 0.8973948609890139
Energy: 1.2542973685152536
Energy: 0.9249521352664523
Energy: 0.9248770937731471
Energy: 0.9563523602972906
Energy: 0.8888869805126359
Energy: 0.9247566269610419
Energy: 1.6879508529460006
Energy: 0.8669126566902404
Energy: 0.8792433912470442
Energy: 0.8738964399291483
Energy: 0.8801908791353314
Energy: 0.8723031023739299
Energy: 1.2386795658599985
Energy: 0.8738139542801997
Energy: 0.8665897285310922
Energy: 0.9359460324182239
Energy: 0.8587994834911398
Energy: 0.866569972229358
Energy: 1.2373945321199435
Energy: 0.8773347357790735
Energy: 0.8674259548386957
Energy: 0.9361784181309445
Energy: 0.8579247274317506
Energy: 0.8802199380483393
Energy: 1.2066000688797665
Energy: 0.9148438334301221
Energy: 0.9131454312046189
Energy: 0.9288431578527344
Energy: 0.9075269393911805
Energy: 0.866187704565235
Energy: 0.8544831174652746
Energy: 0.8850605069689035
Energy: 0.851676113232408
Energy: 0.8979282610270272
Energy: 0.9285807299139787
Energy: 0.86628050318549
Energy: 0.8545185629726793
Energy: 0.8912437631375102
Energy: 0.890274316545002
Energy: 0.8549444394268984
Energy: 0.8739631097422736
Energy: 0.8892162839637847
Energy: 0.8547586368000925
Energy: 0.9462274944504823
Energy: 0.9459192554532245
Energy: 0.8888037605729227
Energy: 0.9542198126263726
Energy: 0.8913836970725614
Energy: 1.2700514740782238
Energy: 0.8745281246995817
Energy: 0.8745253759202504
Energy: 0.8898076337732637
Energy: 0.8740921517133107
Energy: 0.8905321539261962
Energy: 0.839129878775052
Energy: 0.8822254704239666
Energy: 0.8810091908980469
Energy: 0.8416307739962039
Energy: 0.8824245105412606
Energy: 0.867119906250976
Energy: 0.7767481589945711
Energy: 0.9375958084377164
Energy: 0.9132180568135384
Energy: 1.0186343064105474
Energy: 0.9237313905353387
Energy: 0.8835772612166554
Energy: 1.6293390457634356
Energy: 0.9018185079268389
Energy: 0.9017799811097896
Energy: 0.9288716196893566
Energy: 0.9020670290006522
Energy: 0.865992380097669
Energy: 1.6338498696169186
Energy: 0.8916408915819776
Energy: 0.8723031017990018
Energy: 0.9074927058192885
Energy: 0.8934653426571569
Energy: 0.8911651871956202
Energy: 1.6869043499912997
Energy: 0.8680448622620266
Energy: 0.8887571803374165
Energy: 0.8725033331653598
Energy: 0.8557505460667517
Energy: 0.878137150508803
Energy: 1.2563627370307993
Energy: 0.9009098667307005
Energy: 0.9565689502278159
Energy: 0.9570733349020428
Energy: 0.9007823913380966
Energy: 0.8981947009204412
Energy: 1.2808308720399213
Energy: 0.9008438327380831
Energy: 0.8939983863130394
Energy: 0.9562351847270361
Energy: 0.9040218288143196
Energy: 0.8971666190786816
Energy: 1.536287188382327
Energy: 0.8722517037563883
Energy: 0.8778662680740088
Energy: 0.8725465178732033
Energy: 0.8607319081838888
Energy: 0.8710846984893262
Energy: 1.2312903918107339
Energy: 0.8774721932846391
Energy: 0.8765225461581444
Energy: 0.8645822096476882
Energy: 0.8773324690738085
Energy: 0.8672980497355838
Energy: 1.3180684118375756
Energy: 0.9199310268479512
Energy: 0.9046709139520182
Energy: 0.8898111543158486
Energy: 0.8529984860640019
Energy: 0.8889411853481549
Energy: 1.0067343353240654
Energy: 0.8752322581946544
Energy: 0.8083601402023847
Energy: 1.084042969376231
Energy: 0.7841920325228563
Energy: 1.170540441335786
Energy: 0.8554068158729191
Energy: 0.894114494842894
Energy: 0.90406980039956
Energy: 0.8694466305328631
Energy: 0.8519982742031187
Energy: 0.9022572496730511
Energy: 0.8541008125215497
Energy: 0.8975270626921811
Energy: 0.897460917452853
Energy: 0.8543968634847755
Energy: 0.8975311941016609
Energy: 0.8970481369075898
Energy: 1.206940937551122
Energy: 0.8918158473063301
Energy: 0.8921040475387979
Energy: 0.889294712354411
Energy: 0.9203016266916713
Energy: 0.8939135520634268
Energy: 1.278015633772537
Energy: 0.8734776709163758
Energy: 0.8729742174127941
Energy: 0.8896885063212887
Energy: 0.8736684442430295
Energy: 0.8732564624497828
Energy: 0.8393690292957429
Energy: 0.9039292129437069
Energy: 0.9021202771427878
Energy: 0.8369326151411474
Energy: 0.9199812291891064
Energy: 0.8662879620728153
Energy: 1.5825448277859724
Energy: 0.9044479116024007
Energy: 0.9022189900668753
Energy: 0.8726695841737091
Energy: 0.9361765772171078
Energy: 0.8773141227312525
Energy: 1.6315588768671387
Energy: 0.9286720534866779
Energy: 0.8729286594546461
Energy: 0.9076758069521438
Energy: 0.9287714670633636
Energy: 0.8912912370938999

minimum gb energy = 0.7767481589945711 eV
minimum distance =  2.31250646976584 Angstroms
sigma value = 27


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

Energy: 1.3873559902643722
Energy: 0.8990339921069996
Energy: 0.8744583267808228
Energy: 0.6067120922052448
Energy: 1.1252521005628857
Energy: 0.874338576494785
Energy: 1.915244488804934
Energy: 0.7107030675578798
Energy: 0.789832428582379
Energy: 0.6540208004029762
Energy: 0.6522753632270891
Energy: 0.6897058076519627
Energy: 1.639620291185695
Energy: 0.7094135071009049
Energy: 0.6822301617113331
Energy: 0.6949826326094474
Energy: 0.6633192616211997
Energy: 0.6829981137615364
Energy: 1.4121852490739346
Energy: 0.886460609617329
Energy: 0.8837159365865759
Energy: 0.9099146198987742
Energy: 0.9151928180530577
Energy: 0.8789775998306895
Energy: 1.4479640725843204
Energy: 0.7056524588752314
Energy: 0.7129587705676694
Energy: 0.6617549981199033
Energy: 0.6644476260380416
Energy: 0.7465134165750466
Energy: 0.9969400537495887
Energy: 0.6682040838812664
Energy: 0.6816558958462661
Energy: 0.8925875514338587
Energy: 0.7125334332631346
Energy: 0.6900271287553492
Energy: 0.8738810688312938
Energy: 0.7473793972548597
Energy: 0.7580749103552945
Energy: 0.8739183858986834
Energy: 0.5467315821057662
Energy: 0.8058963603822081
Energy: 1.2399894333233572
Energy: 0.9294415914337366
Energy: 0.9141874470228022
Energy: 1.1083848808786092
Energy: 0.926657803966607
Energy: 0.9131583198037632
Energy: 0.7253103117765952
Energy: 0.6953769843954621
Energy: 0.7207833582189995
Energy: 0.6653442573950006
Energy: 0.7072081128553117
Energy: 0.7643076612326789
Energy: 0.8594072135272152
Energy: 0.6851292142092166
Energy: 0.6700454333364181
Energy: 0.7851127069174592
Energy: 0.6854204229688686
Energy: 0.6644746580964938
Energy: 1.1256237522146924
Energy: 0.6737040227823772
Energy: 0.7302926122618623
Energy: 0.889238390302044
Energy: 0.600717424941521
Energy: 0.7749319162718789
Energy: 1.9152444888541227
Energy: 0.7114537355135088
Energy: 0.6973037168261835
Energy: 0.6895287548455583
Energy: 0.6911535008215208
Energy: 0.6956903657587259

minimum gb energy = 0.5467315821057662 eV
minimum distance =  2.37040626860871 Angstroms
sigma value = 9


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

Energy: 2.129766987862921
Energy: 0.6934100658258635
Energy: 1.0418853993076562
Energy: 1.3508151199361442
Energy: 0.9106608964511843
Energy: 0.9740578554113655
Energy: 1.445373670418086
Energy: 0.5815992372167986
Energy: 0.5962789257121187
Energy: 0.5378727332153089
Energy: 0.5813708049415287
Energy: 0.5550225147096756
Energy: 1.3191106206782504
Energy: 0.5175507114294257
Energy: 0.54094771636688
Energy: 0.5551330333963398
Energy: 0.5076245756746796
Energy: 0.5449753462460314
Energy: 1.3141420278203055
Energy: 0.6800963514306562
Energy: 0.6716191674164148
Energy: 0.5567436630316506
Energy: 0.6436906031905082
Energy: 0.5572065525369273
Energy: 1.3587086277000828
Energy: 0.6241771205052687
Energy: 0.5934030653246808
Energy: 0.8127019137512311
Energy: 0.5977257242911072
Energy: 0.5969116701029652
Energy: 1.1945331958801981
Energy: 0.7098393730293427
Energy: 0.8909296979047384
Energy: 0.904747130015303
Energy: 0.8185294249238825
Energy: 0.880244887111741
Energy: 0.8593629741443104
Energy: 0.5405770699913699
Energy: 0.5470758913206036
Energy: 0.7685150366688172
Energy: 0.5648626188771462
Energy: 0.5457664012008675
Energy: 1.0162355193665111
Energy: 0.663232238658633
Energy: 0.7049334964486312
Energy: 0.7724974999968679
Energy: 0.7064804945395575
Energy: 0.7353721667188519
Energy: 1.357018283661098
Energy: 0.5493743085263446
Energy: 0.5546385705922865
Energy: 0.6020410775613236
Energy: 0.5381990666260424
Energy: 0.571424311877824
Energy: 1.527658721492718
Energy: 0.8948254853683641
Energy: 0.8429381553784664
Energy: 0.624389700590282
Energy: 0.8845347855676278
Energy: 0.5272204546447412
Energy: 1.479848212456841
Energy: 0.5641018455256528
Energy: 0.5905243216526739
Energy: 0.5932241018428497
Energy: 0.5531632669800381
Energy: 0.5726628668146561
Energy: 1.4429807746434369
Energy: 0.5773514636161617
Energy: 0.594106709276925
Energy: 0.5768549763550668
Energy: 0.596299317924195
Energy: 0.5622705455115744
Energy: 1.8727447746954022
Energy: 0.9646627821024578
Energy: 0.9954944413890802
Energy: 1.141282247450292
Energy: 0.9065173403524163
Energy: 0.9018874123006212
Energy: 0.38780666110006934
Energy: 0.6037910408741387
Energy: 0.5563488318498652
Energy: 0.5821680369684282
Energy: 0.6290968605348132
Energy: 0.6090706579603554
Energy: 0.8562031054512163
Energy: 0.6007195375999326
Energy: 0.6234470797204966
Energy: 0.7693909622463017
Energy: 0.5119118945496706
Energy: 0.6745349852047645
Energy: 0.8267997343914738
Energy: 0.5660585561190481
Energy: 0.5585347240949017
Energy: 0.6056927768096503
Energy: 0.5504056874441595
Energy: 0.577113207376414
Energy: 0.99541571622073
Energy: 0.5879380115866037
Energy: 0.7044337434115147
Energy: 0.49983047079168613
Energy: 0.5568145495556595
Energy: 0.6118586421117426
Energy: 1.1929778371621134
Energy: 0.8560984098038585
Energy: 0.8271585215077649
Energy: 0.9161685582150989
Energy: 0.7241391215511988
Energy: 0.8257888256832755
Energy: 0.9876815225383512
Energy: 0.5341805387596895
Energy: 0.5703220189891951
Energy: 0.5620170287680438
Energy: 0.508458309511789
Energy: 0.5461448388284982
Energy: 0.9734051807363954
Energy: 0.5386531817208746
Energy: 0.5376723722707419
Energy: 0.4842956654148861
Energy: 0.5325030709199063
Energy: 0.5356592592710347
Energy: 0.8939070863677239
Energy: 0.5537230542510133
Energy: 0.5579671347078513
Energy: 0.5052432734616664
Energy: 0.4864223070337943
Energy: 0.5497891523698328
Energy: 0.8930682183041697
Energy: 0.589883319267546
Energy: 0.6508291730711605
Energy: 0.8962408552097471
Energy: 0.9611210036303307
Energy: 0.8856660956492618
Energy: 1.8085987352403419
Energy: 0.5590099424748175
Energy: 0.6250863170535249
Energy: 0.5987839654487835
Energy: 0.5247406503555643
Energy: 0.6266558759572852
Energy: 0.5114528659685202
Energy: 0.5603448600520846
Energy: 0.5414732044023525
Energy: 0.5376935253038233
Energy: 0.46990347801997945
Energy: 0.5583526875716562
Energy: 1.3748045149454322
Energy: 0.770240547771901
Energy: 0.727831575504816
Energy: 0.7450146331091327
Energy: 0.7292491146203793
Energy: 0.7495123871314672
Energy: 0.37527585632293864
Energy: 0.5156879622366614
Energy: 0.5229764459827525
Energy: 0.5111579664215539
Energy: 0.5140983658432751
Energy: 0.6059118509904557
Energy: 1.2720838830074612
Energy: 0.9458230228625848
Energy: 0.9173918401584538
Energy: 0.9307623886883377
Energy: 0.8590285964482928
Energy: 0.9898573118654671
Energy: 0.8753685480069695
Energy: 0.5946074052750536
Energy: 0.5695702865441035
Energy: 0.5872327666982181
Energy: 0.5919687902752157
Energy: 0.5715908447145972
Energy: 0.8444430733210301
Energy: 0.5873389623094509
Energy: 0.5994915552848212
Energy: 0.7568334610521222
Energy: 0.5711421319211657
Energy: 0.5874721221204809
Energy: 1.2681594219893022
Energy: 0.5630598255659985
Energy: 0.745094447537304
Energy: 0.8024580724410495
Energy: 0.6794440133437623
Energy: 0.775660963216828
Energy: 1.478102036907968
Energy: 0.5449127782948269
Energy: 0.5801174891396434
Energy: 0.5480392297437078
Energy: 0.5053167756645878
Energy: 0.5730223913615097
Energy: 1.4964939492695704
Energy: 0.9025562981089952
Energy: 0.8734800071911463
Energy: 0.6046607841036333
Energy: 0.9028568058441775
Energy: 0.816397716472262
Energy: 0.36978379041634296
Energy: 0.5707086778466569
Energy: 0.5591747009414563
Energy: 0.5608059826427629
Energy: 0.6367968936125186
Energy: 0.5538568577733419
Energy: 0.6035350950768726
Energy: 0.9989805623861823
Energy: 0.7211285479857539
Energy: 0.7517742554668484
Energy: 1.1547557610551606
Energy: 0.7174078200007934
Energy: 1.6443975958463495
Energy: 0.5785294520919443
Energy: 0.6249767004716714
Energy: 0.6046172077537019
Energy: 0.6203852695146288
Energy: 0.6162147632343544
Energy: 1.1751166027687976
Energy: 0.5498288668954607
Energy: 0.5367041590649796
Energy: 0.6020623846246865
Energy: 0.5300668012524601
Energy: 0.5714273892879985
Energy: 0.8232211527417896
Energy: 0.5582898586178938
Energy: 0.5399942952849819
Energy: 0.5115511629288413
Energy: 0.49515640938310324
Energy: 0.5478761590743323
Energy: 0.8130773884831786
Energy: 0.5516222770850894
Energy: 0.5548149929467938
Energy: 0.539105470915488
Energy: 0.5444126341920732
Energy: 0.5549640988465068
Energy: 1.1404084337311957
Energy: 1.0262759081485344
Energy: 1.0300657261149744
Energy: 0.9669357594940976
Energy: 0.8162594646943004
Energy: 1.0012473658424927
Energy: 0.7412725186345154
Energy: 0.5210479628645726
Energy: 0.5765560861388397
Energy: 0.5812485387108716
Energy: 0.5324325795131638
Energy: 0.6050814340970592
Energy: 0.9523734664680091
Energy: 0.6453258523750525
Energy: 0.5888776408171617
Energy: 0.45628894127555353
Energy: 0.6441513880731304
Energy: 0.5855151171742273
Energy: 0.7391559898379539
Energy: 0.5243951058161166
Energy: 0.5303600740778305
Energy: 0.5370437249693009
Energy: 0.5147034697972441
Energy: 0.5447561607420504
Energy: 1.5039408548120803
Energy: 0.6115050108520697
Energy: 0.5876192711086464
Energy: 0.6104688977673047
Energy: 0.7243554734040109
Energy: 0.6188005901066883

minimum gb energy = 0.36978379041634296 eV
minimum distance =  2.33625860771769 Angstroms
sigma value = 57


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

Energy: 1.2462596274419677
Energy: 0.8653424095508606
Energy: 0.8661282478767094
Energy: 0.8796825991723158
Energy: 1.3846118505509852
Energy: 0.8584360750490674
Energy: 1.2585301891044702
Energy: 0.514359228861143
Energy: 0.5043905059320438
Energy: 0.4290616422984507
Energy: 0.5112455089231159
Energy: 0.31279730977886805
Energy: 1.0249888454347094
Energy: 0.49569840133016146
Energy: 0.4997001287070538
Energy: 0.5048079079441995
Energy: 0.6183449552457175
Energy: 0.591432305330068
Energy: 0.7145429032338101
Energy: 0.40476296342402374
Energy: 0.41083945977906006
Energy: 0.4194680169743168
Energy: 0.7037511241302574
Energy: 0.515571360332651
Energy: 1.0584784010058228
Energy: 0.5491370738876197
Energy: 0.5528308312274944
Energy: 0.696731153543589
Energy: 0.5397878492864001
Energy: 0.7038673897190386
Energy: 1.0644486397175297
Energy: 0.5547956122702343
Energy: 0.553846977452609
Energy: 0.726596279652918
Energy: 0.5488748881211521
Energy: 0.5521448102243206
Energy: 1.0366260044502975
Energy: 0.7489528282420131
Energy: 0.7465820129698392
Energy: 0.9191428875580118
Energy: 0.7493547507415351
Energy: 0.7126245512430741
Energy: 1.1488802664740028
Energy: 0.707797866344614
Energy: 0.4439826823856571
Energy: 0.6274086656571581
Energy: 0.8065946180484506
Energy: 0.4766955153529416
Energy: 0.634986067885113
Energy: 0.2868232927550787
Energy: 0.27782153935470794
Energy: 0.4058301338364687
Energy: 0.2890815180533525
Energy: 0.2730500189827852
Energy: 0.6346515002446088
Energy: 0.2952285848097254
Energy: 0.2880510519059905
Energy: 0.3045212891825154
Energy: 0.2985445951138587
Energy: 0.28903808210234555
Energy: 0.6347148853542953
Energy: 0.3046360998857812
Energy: 0.2806551565581638
Energy: 0.30241136163409127
Energy: 0.3027726642002909
Energy: 0.3070830947430508
Energy: 0.6367047251222702
Energy: 0.2735707888995839
Energy: 0.276438394379959
Energy: 0.25571966866314555
Energy: 0.46707257865388246
Energy: 0.2787832987903773
Energy: 1.0774537387545904
Energy: 1.290199194236107
Energy: 0.9065761541307599
Energy: 0.5535637096213202
Energy: 1.3138632641464592
Energy: 0.9122229466728703
Energy: 1.0521218115631017
Energy: 0.724614672411209
Energy: 0.698325537917827
Energy: 0.6660111525577529
Energy: 0.7280498060737465
Energy: 0.7070349131421768
Energy: 1.0720801375705071
Energy: 0.5359530070972578
Energy: 0.5482606914481217
Energy: 0.7667283925012317
Energy: 0.5646310687494204
Energy: 0.5770186179647824
Energy: 1.0543650065517427
Energy: 0.719112672021916
Energy: 0.6910815000054239
Energy: 0.688759469530497
Energy: 0.5284974950279797
Energy: 0.7149685176204819
Energy: 1.0427659202099024
Energy: 0.5537343505451212
Energy: 0.5400090554180532
Energy: 0.5954564553014319
Energy: 0.5410115296872223
Energy: 0.5527459010650275
Energy: 0.5893426976289305
Energy: 0.4776674973721912
Energy: 0.5266371846660666
Energy: 0.5850059409332055
Energy: 0.4613346105342324
Energy: 0.5352167814152714
Energy: 1.243777770857062
Energy: 0.5199374909882364
Energy: 0.5378955520917132
Energy: 0.8567100567917394
Energy: 0.5052939773067028
Energy: 0.5919330193577748

minimum gb energy = 0.25571966866314555 eV
minimum distance =  2.35570211479392 Angstroms
sigma value = 11


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

Energy: 1.7559041313566692
Energy: 1.9373100294868375
Energy: 1.566862229304457
Energy: 1.1373919497164635
Energy: 2.101118732483288
Energy: 1.5662057908147617
Energy: 1.1279827339756838
Energy: 0.5325613085183633
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Energy: 0.29374608863848095
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Energy: 0.41978541727184915
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Energy: 1.5520612660258528
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Energy: 0.7319014175313527
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Energy: 0.9345043079398173
Energy: 0.821177922717156
Energy: 0.6839742720059867
Energy: 0.6922768777425093
Energy: 0.6845743168719437
Energy: 0.6580875621918921
Energy: 0.7531507255614791
Energy: 0.6931327233517259
Energy: 1.5751193320588366
Energy: 1.1948013840144611
Energy: 1.1935627912250164
Energy: 1.5602259209657472
Energy: 1.2024336919094274
Energy: 1.2146850965626237
Energy: 0.9708002720451309
Energy: 0.5591245354747345
Energy: 0.5359522537045905
Energy: 0.665766873886564
Energy: 0.7102009301917257
Energy: 0.5990319125753182
Energy: 0.8566760784205687
Energy: 0.5469740132185708
Energy: 0.5343516457303162
Energy: 0.6646558726314618
Energy: 0.5559663218591695
Energy: 0.5230982811588112
Energy: 0.8851264874636038
Energy: 0.5454255102832857
Energy: 0.5475276199436937
Energy: 0.5583038091315179
Energy: 0.4831658020076453
Energy: 0.5440042915002988
Energy: 1.5422210348461312
Energy: 0.5181143951225053
Energy: 0.5427980827858128
Energy: 0.7075836208472709
Energy: 0.45546418597456984
Energy: 0.692926616185673

minimum gb energy = 0.29374608863848095 eV
minimum distance =  2.30996584386319 Angstroms
sigma value = 41


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

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Energy: 1.611170604395093
Energy: 1.610095796089793
Energy: 0.6690426852565244
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Energy: 0.8024642979697969
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Energy: 0.47368310850403245
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Energy: 0.9339410854563797
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Energy: 0.44064335932960097
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Energy: 0.7837610068630099
Energy: 0.47079960106852214
Energy: 0.6004894308579425
Energy: 0.5432208997423357
Energy: 0.5665981932519399
Energy: 0.6069264601553004
Energy: 1.1550269425570272
Energy: 0.7150385605840326
Energy: 0.7294798882895801
Energy: 0.7031041760089667
Energy: 0.6736242430453878
Energy: 0.7504921183984357
Energy: 1.1014254779010653
Energy: 0.6413934722995176
Energy: 0.661653392629927
Energy: 0.3601483336714021
Energy: 0.5455386670647555
Energy: 0.7195098266118493
Energy: 0.6727213863078879
Energy: 0.8422786308696156
Energy: 0.8107938170907085
Energy: 0.6853785519306312
Energy: 0.77793922388439
Energy: 0.8094346910552198
Energy: 1.2907228277686467
Energy: 0.9280639819839962
Energy: 0.9314525694143577
Energy: 1.2236628873991262
Energy: 0.9306885976931578
Energy: 0.955333069569723
Energy: 1.072671172885853
Energy: 0.41798086788521277
Energy: 0.5944519947562159
Energy: 0.8450030315005496
Energy: 0.4351136056016214
Energy: 0.1638013833375553
Energy: 0.9033375591222614
Energy: 0.6964340958060916
Energy: 0.6585799154870645
Energy: 0.6604746430391634
Energy: 0.7237480136555264
Energy: 0.4646401409323527
Energy: 0.9261268734930493
Energy: 0.648343353593103
Energy: 0.6071737097669268
Energy: 0.6222802210398608
Energy: 0.632042204420123
Energy: 0.6215047366317729
Energy: 1.4148622866523404
Energy: 0.6157463631011141
Energy: 0.8287996576531877
Energy: 0.9203155547456902
Energy: 0.5490314003587949
Energy: 0.8229183158953733

minimum gb energy = -0.6456077236289335 eV
minimum distance =  2.32990273793254 Angstroms
sigma value = 33


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

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Energy: 1.2131967849201861
Energy: 1.2168168675629811
Energy: 0.3141437716782819
Energy: 1.5797122198375595
Energy: 1.1498372776482166
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Energy: 0.6468143010464882
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Energy: 0.6320769302777224
Energy: 0.7309820268607184
Energy: 1.7184904208582623
Energy: 0.8034875631247534
Energy: 1.1320681537652832
Energy: 0.8745208890893256
Energy: 0.7972652685857987
Energy: 0.9844951748966303

minimum gb energy = 0.2657301911292242 eV
minimum distance =  2.26615310764487 Angstroms
sigma value = 67


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

Energy: 1.1934446823326001
Energy: 0.46507361110150847
Energy: 0.39851339826792026
Energy: 0.3750223558048105
Energy: 1.0602338400854738
Energy: 0.3953834595266408
Energy: 0.7875561591497557
Energy: 0.4920539288311797
Energy: 0.46499865553249753
Energy: 0.377696558099883
Energy: 0.4920802284541871
Energy: 0.46304882991273105
Energy: 0.6087391571133395
Energy: 0.4010178611307715
Energy: 0.3846330395769946
Energy: 0.34131947254626166
Energy: 0.43845681410193904
Energy: 0.4035618908205228
Energy: 0.6188433782114344
Energy: 0.3832415424068603
Energy: 0.4468340524980026
Energy: 0.5065050305880646
Energy: 0.3843346175550652
Energy: 0.45122530418962364
Energy: 0.6133514933997928
Energy: 0.3441694625796517
Energy: 0.3581429117135183
Energy: 0.34343416539915267
Energy: 0.3653608751940948
Energy: 0.34452581374507385
Energy: 0.6229773386638475
Energy: 0.5010983658453917
Energy: 0.33297626741928577
Energy: 0.3439649380096437
Energy: 0.4995874108446379
Energy: 0.34586540378369574
Energy: 0.8000264306725681
Energy: 0.4724517446414516
Energy: 0.5038882200079413
Energy: 0.42565283826538053
Energy: 0.45697388684434925
Energy: 0.3867452038691317

minimum gb energy = 0.33297626741928577 eV
minimum distance =  2.34206518156771 Angstroms
sigma value = 3


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

Energy: 1.4266133792246771
Energy: 1.0237573582175286
Energy: 0.811556252047269
Energy: 0.54532183360256
Energy: 1.1029694378639214
Energy: 0.8629474529969012
Energy: 0.7554922413428167
Energy: 0.4001729767038343
Energy: 0.37520225168117344
Energy: 0.37313884123658103
Energy: 0.4210245064096788
Energy: 0.3804530031113738
Energy: 0.6360998609872426
Energy: 0.474822689690019
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Energy: 0.46628654336745307
Energy: 0.4563734455444799
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Energy: 0.36320329615156793
Energy: 0.5133842418541967
Energy: 0.39666072876671643
Energy: 0.3975385354275238
Energy: 0.6926344228594398
Energy: 0.4551832606441477
Energy: 0.4511082581603109
Energy: 0.5139584629864795
Energy: 0.46139653088596444
Energy: 0.4456036872127086
Energy: 0.7227736864581392
Energy: 0.5021476559469686
Energy: 0.5007544543628596
Energy: 0.4898192188701254
Energy: 0.5377876063971291
Energy: 0.4945474452404494
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Energy: 0.4993208863321802
Energy: 0.4393744229157582
Energy: 0.5697119469449607
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Energy: 1.301806909843432
Energy: 0.8466936018181214
Energy: 0.6456222728937683
Energy: 0.46436562705586504
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Energy: 0.6849758203399501
Energy: 1.000547315427233
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Energy: 0.6979965285103847
Energy: 0.5413252088229363
Energy: 0.6908294798330179
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Energy: 0.8847512725091545
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Energy: 0.49780748414049975
Energy: -0.5299277666295855
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Energy: 0.5255926601684952
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Energy: 0.4402087952906104
Energy: 0.45089217876841214
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Energy: 0.47265217015254424
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Energy: 0.40330017587082795
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Energy: 0.4762441566175006
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Energy: 0.4534367309073675
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Energy: 0.394694513211606
Energy: 0.41539268877504865
Energy: 0.4584229547982534
Energy: 0.4035568522207117
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Energy: 0.49166806387529793
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Energy: 0.5417224753503388
Energy: 0.6677405232249023
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Energy: 0.4571311734210526
Energy: 0.4930213225313227
Energy: 0.45934747205314397
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Energy: 0.4864095126248709
Energy: 0.4578248281045249
Energy: 0.557950618457909
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Energy: 0.7287651037335116
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Energy: 0.465318504202752
Energy: 0.43750730590403397
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Energy: 0.6920202199404984
Energy: 0.6261475574764066
Energy: 0.7213418022860434
Energy: 0.6792210913357775
Energy: 1.2399980532752088
Energy: 0.6296006716991299
Energy: 0.7448521449604332
Energy: 0.8112486488607991
Energy: 0.5952258072020908
Energy: 0.7167677409900852
Energy: 0.8866404140024722
Energy: 0.7324274721740976
Energy: 0.6780156356516296
Energy: 0.842345229878942
Energy: 0.6749970065865646
Energy: 0.6855679399501452
Energy: 0.7435625740034554
Energy: 0.5173316708816755
Energy: 0.5250036287773471
Energy: 0.5370659709297713
Energy: 0.5136932677299648
Energy: 0.5456732394813336
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Energy: 0.46384983051448847
Energy: 0.5493489425616414
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Energy: 0.5908118017354181
Energy: 0.9251291053203797
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Energy: 0.6817545488079687
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Energy: 0.6876647618559083
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Energy: 0.6506064577732931
Energy: 0.9709918355299706
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Energy: 0.7214612108146083
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Energy: 0.7106626710822347
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Energy: 0.9060334234147766
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Energy: 0.5227327121771013
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Energy: 0.560598433965778
Energy: 0.8756998672248371
Energy: 0.39245738401990105
Energy: 0.42641991667893986
Energy: 0.5200541917674373
Energy: 0.49225289802672934
Energy: 0.4486390228296887
Energy: 0.9471083066067604
Energy: 0.4672076784296462
Energy: 0.42958377987611207
Energy: 0.381083212735795
Energy: 0.43571397182264204
Energy: 0.3887289553626684
Energy: 0.9941607934811578
Energy: 0.6433703773462641
Energy: 0.5682890864375082
Energy: 0.5177282510249194
Energy: 0.6871904966582547
Energy: 0.3937088255290824
Energy: 1.0848440749620347
Energy: 0.7859366858613213
Energy: 0.7499721883725865
Energy: 0.6474985433571174
Energy: 0.7640633625557993
Energy: 0.7177454560111177
Energy: 0.961066370471172
Energy: 0.5479943496786579
Energy: 0.5188519475789214
Energy: 0.538708551916248
Energy: 0.49083838264596286
Energy: 0.5142470678916129
Energy: 1.1629572218540363
Energy: 0.5059902228314056
Energy: 0.5123310907171329
Energy: 0.515398611071358
Energy: 0.5162711175191633
Energy: 0.5408673762851645
Energy: 0.8685503301302572
Energy: 0.5326202293792583
Energy: 0.4568808351928874
Energy: 0.4191169516464834
Energy: 0.568512532465966
Energy: 0.46329488501063887
Energy: 0.700249158165102
Energy: 0.5368754976621308
Energy: 0.5040725811591668
Energy: 0.4977283579428202
Energy: 0.49112785709883905
Energy: 0.509620770530228
Energy: 0.760259119015836
Energy: 0.49406511380486334
Energy: 0.491544005367405
Energy: 0.48070083093041077
Energy: 0.4837415794669287
Energy: 0.48112746817967667
Energy: 0.8115646456297136
Energy: 0.40711074137994924
Energy: 0.5911770559738726
Energy: 0.6564462301747935
Energy: 0.4851616895043085
Energy: 0.5376013670789895
Energy: 0.7456277112102788
Energy: 0.5133416378864049
Energy: 0.3899176610993305
Energy: 0.6223595568670037
Energy: 0.5016493755660123
Energy: 0.4968063787682056
Energy: 0.8527597175263307
Energy: 0.5647768398770802
Energy: 0.5593844295310444
Energy: 0.5393057095919593
Energy: 0.5224194824072848
Energy: 0.5107709922120288

minimum gb energy = -0.5299277666295855 eV
minimum distance =  2.34235107804664 Angstroms
sigma value = 81


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

Energy: 1.5608478805244097
Energy: 0.5117581493845219
Energy: 0.5090366208848603
Energy: 0.4769990945410904
Energy: 0.5425509693522328
Energy: 0.6076527374240794
Energy: 0.9856824583301687
Energy: 0.36501955638740713
Energy: 0.48696052675693186
Energy: 0.2909869391786891
Energy: 0.5155334904407358
Energy: 0.30678508343593874
Energy: 0.6484078335937238
Energy: 0.5097347592269476
Energy: 0.5112921876083643
Energy: 0.4163379206481218
Energy: 0.5564017488926875
Energy: 0.532409917977578
Energy: 0.88640301523308
Energy: 0.5882052010645156
Energy: 0.6608898002905412
Energy: 0.7731520252443209
Energy: 0.5958825820711302
Energy: 0.45461918498409937
Energy: 0.8394140528551088
Energy: 0.9782423870990661
Energy: 0.6254562168693097
Energy: 0.6093447858892199
Energy: 0.824113250747315
Energy: 0.6057499411985178
Energy: 0.8141847745188602
Energy: 0.8068669393437454
Energy: 0.6754696827125032
Energy: 0.6467034711283427
Energy: 0.7811181247081838
Energy: 0.6664692775676697
Energy: 0.8724865815861884
Energy: 0.7746063581940216
Energy: 0.6918150425078202
Energy: 0.7003431843442371
Energy: 0.8567498676007235
Energy: 0.6859851782228331
Energy: 1.226818716193176
Energy: 1.0949465166536834
Energy: 0.9436579642891055
Energy: 0.5421496229425524
Energy: 0.9420248284657441
Energy: 0.5828661516457855
Energy: 0.9581876933114621
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Energy: 0.788837696021254
Energy: 0.7291771243147991
Energy: 0.6099068997628407
Energy: 0.646987188064199
Energy: 0.8258112369736251
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Energy: 0.44288354030068017
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Energy: 0.46072910830695746
Energy: 0.4612658612385269
Energy: 0.7916205752943007
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Energy: 0.8437429607756034
Energy: 0.7519655398620819
Energy: 0.8470531202244083
Energy: 0.7500774316322204
Energy: 0.8817196404303158
Energy: 0.6618577210507761
Energy: 0.7687567936031638
Energy: 0.537387148379209
Energy: 0.6665071373830957
Energy: 0.6712756309536366
Energy: 0.8267152970571082
Energy: 0.7282794428867445
Energy: 0.6975517667188437
Energy: 0.54529454146891
Energy: 0.708063978359206
Energy: 0.5812671404145057
Energy: 0.9680055908086863
Energy: 0.6301876428673828
Energy: 0.6225640801019542
Energy: 0.7005635402542806
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Energy: 0.6070343808780798
Energy: 1.1528368930050628
Energy: 0.6060750628123599
Energy: 0.6697856981584571
Energy: 0.6628437861117976
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Energy: 0.6753535071577095
Energy: 1.0650977787586995
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Energy: 0.43432903043996424
Energy: 0.45990117431794825
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Energy: 0.5839947763229274
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Energy: 0.5585683878942105
Energy: 0.571257520875462
Energy: 1.0045328905130713
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Energy: 0.5832119635482959
Energy: 0.8366608860589758
Energy: 0.4142605030246389
Energy: 0.42779104882021823
Energy: 0.6705563895770278
Energy: 0.4573183780347793
Energy: 0.42297636865605664
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Energy: 0.749944520295864
Energy: 0.29736438024135203
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Energy: 0.17440395487224475
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Energy: 0.7298751312327906
Energy: 0.5747551121951265
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Energy: 0.8473528136386486
Energy: 1.3045095148829655
Energy: 0.7135664902888577
Energy: 0.8332963654395077
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Energy: 0.7978102576219556
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Energy: 0.8887055524892036
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Energy: 0.7199453852226542
Energy: 0.6789462975660361
Energy: 0.8246189500006686
Energy: 0.46925606117226104
Energy: 0.4805171848359325
Energy: 0.6388566964817946
Energy: 0.47036401491126556
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Energy: 1.07254840080653
Energy: 0.6565844618981375
Energy: 0.6466443020712351
Energy: 0.7565528674420291
Energy: 0.6736157544050336
Energy: 0.7585970807630761
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Energy: 0.6978969159876368
Energy: 0.7234915416937614
Energy: 0.6056565911601292
Energy: 0.7100328701360465
Energy: 0.4968659606980961
Energy: 1.036654822455116
Energy: 0.754496702774018
Energy: 0.7899845665417203
Energy: 0.7446326293319635
Energy: 0.7495378196784205
Energy: 0.8347607597132783
Energy: 0.9404405250208375
Energy: 0.6185371011766356
Energy: 0.5788230368250233
Energy: 0.5636350078536059
Energy: 0.602630996836087
Energy: 0.6596891735261408
Energy: 0.8823678778143665
Energy: 0.6518554822322575
Energy: 0.6520778727491693
Energy: 0.7600053566768812
Energy: 0.6938422548668414
Energy: 0.6837768631733151
Energy: 0.8591906229497149
Energy: 0.41420120048883946
Energy: 0.7073996625796989
Energy: 0.8435078566972121
Energy: 0.6064560944166113
Energy: 0.5007174250144224
Energy: 0.835205895615496
Energy: 0.5614131909729415
Energy: 0.5795000425759225
Energy: 0.3921518985311369
Energy: 0.585591102880257
Energy: 0.5780229946536108
Energy: 0.7829695672640695
Energy: 0.3049986779110445
Energy: 0.357206303791702
Energy: 0.4752806234445234
Energy: -0.6486289065221137
Energy: 0.337625669345037
Energy: 1.167573579483123
Energy: 0.49983634370546975
Energy: 0.5156479882761011
Energy: 0.4390867506215899
Energy: 0.48610896839866846
Energy: 0.6141245030378755

minimum gb energy = -0.6486289065221137 eV
minimum distance =  2.37896633793083 Angstroms
sigma value = 43


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

Energy: 1.5082789372860383
Energy: 0.06679529929140712
Energy: 0.4163952527748671
Energy: 0.23766037890065184
Energy: 0.06812827579868523
Energy: 0.22280327666822536
Energy: 0.47669109242156243
Energy: 0.17067336879479716
Energy: 0.12511554663579844
Energy: 0.10637936583162973
Energy: 0.20063642469533774
Energy: 0.4283172026498227
Energy: 0.18388316421669895
Energy: 0.2676128062289919
Energy: 0.2283006653693883
Energy: -0.009195685185007222
Energy: 0.32233664721766425
Energy: 0.08543089731258469
Energy: 0.5350900546847484
Energy: 0.32631700022409416
Energy: 0.3211104408646019
Energy: 0.1502745136663287
Energy: 0.3632666611395578
Energy: 0.3118688940950079
Energy: 0.613244420613134
Energy: 0.2789115857507903
Energy: 0.2457135048932041
Energy: 0.2921348341402509
Energy: 0.3507380342074935
Energy: 0.33484682628422546
Energy: 0.48466324873519684
Energy: 0.34244783675981133
Energy: 0.337481962873399
Energy: 0.3870871809853756
Energy: 0.3981771476615956
Energy: 0.2939960992571852
Energy: 0.6640654489708262
Energy: 0.6083245404530694
Energy: 0.43957726074562103
Energy: 0.36980640726186054
Energy: 0.4381907284443919
Energy: 0.4776180556002533
Energy: 0.9029428607964106
Energy: 0.017281251174936122
Energy: 0.09931916815987621
Energy: 0.4122531103647889
Energy: 0.1882756920534451
Energy: -0.04836562699816341
Energy: 0.7595284036294493
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Energy: 0.47354956835309964
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Energy: 0.6512155157393248
Energy: 0.5431709146351879
Energy: 0.548047051919454
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Energy: 0.2385965976012611
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Energy: 0.43291199861723545
Energy: 0.22650015435456367
Energy: 0.7022744003961086
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Energy: 0.2523080451095305
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Energy: 0.3539836955654581
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Energy: 0.21636294324558525
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Energy: 0.1772751572845485
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Energy: 0.3689928401473778
Energy: 0.3724479138171295
Energy: 0.3380277980137357
Energy: 0.3495671477645693
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Energy: 0.36399648165848414
Energy: 0.3387466178609476
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Energy: 0.3402008302191984
Energy: 0.3215285706855642
Energy: 0.5736489698554377
Energy: 0.35650885408238675
Energy: 0.3229435102171138
Energy: -0.08726284121401401
Energy: 0.03396166252083959
Energy: 0.11093834875771193
Energy: -0.053032563925822396
Energy: 0.4324725328811056
Energy: 0.22367541769112032
Energy: 0.24931777281453396
Energy: 0.6313623610026311
Energy: 0.08957658450694589
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Energy: 0.549494736956799
Energy: 0.0858186130084111
Energy: 1.181851690381713
Energy: 0.5142227287824512
Energy: 0.3714000045298286
Energy: 0.5912822729855918
Energy: 0.5249595104890287
Energy: 0.6701363681570857

minimum gb energy = -0.11063827441553878 eV
minimum distance =  2.31432609761195 Angstroms
sigma value = 57


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

Energy: 1.062137788951296
Energy: -0.21528078275787257
Energy: -0.441474776376649
Energy: 0.2783217534640174
Energy: 0.022623549717017837
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Energy: 0.46805227276370287
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Energy: 0.28496812902412416
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Energy: 0.268089730538908
Energy: 0.2253773439223681
Energy: 0.3548013937283845
Energy: 0.5716139577308362
Energy: 0.3375653066074339
Energy: 0.23871118145132322
Energy: 0.3270301674330742
Energy: 0.3869725563026188
Energy: 0.29635888796177295
Energy: 0.33250500707504316
Energy: 0.32227483913273675
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Energy: 0.4728770352129655
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Energy: -0.37550014544275684
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Energy: 0.4492255486864283
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Energy: 0.2884966283034318
Energy: 0.44899408592026696
Energy: 0.5490927474879073
Energy: 0.3336013474964428
Energy: 0.29079041258240496
Energy: 0.3096666709554213
Energy: 0.3169875420943753
Energy: 0.30402404687585055
Energy: 0.368396226886097
Energy: 0.30771969287351686
Energy: 0.3146348332727625
Energy: 0.30397354107021585
Energy: 0.24486815058524064
Energy: 0.3285987292745598
Energy: 0.350418977544595
Energy: 0.07127921336851467
Energy: -0.015761326225799982
Energy: 0.2903310000019652
Energy: 0.11102391331677579
Energy: 0.2559299630781552
Energy: 0.3024766490818163
Energy: 0.15601228940660722
Energy: -0.06553826944065393
Energy: -0.07466611112309578
Energy: 0.2371820286284249
Energy: 0.12089315912308403
Energy: 0.48581792901750914
Energy: 0.33976319717007647
Energy: 0.28439929869238234
Energy: 0.09872281371655077
Energy: 0.27774008273333284
Energy: 0.3125804891568369
Energy: -0.44362696367015136
Energy: 0.28744982050921014
Energy: 0.31198798234734715
Energy: -0.26871027675178943
Energy: 0.17900991134889077
Energy: 0.2805780989641501
Energy: 0.4491214774543429
Energy: 0.30560779127801563
Energy: 0.29954018324469206
Energy: 0.12830535082324174
Energy: 0.14976237060415076
Energy: 0.26789740713516325
Energy: 0.3619648799477527
Energy: -0.4209557260489062
Energy: -0.17149945585130558
Energy: -0.4541329145435087
Energy: -0.09821979916971772
Energy: -0.4192806215339005

minimum gb energy = -0.4541329145435087 eV
minimum distance =  2.40218744035551 Angstroms
sigma value = 17


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

Energy: 0.4424440004432518
Energy: -0.03571470723378376
Energy: -0.03420998806841957
Energy: 0.2569083000684301
Energy: 0.13580009089118827
Energy: 0.2628484192871321
Energy: 0.2762002369680826
Energy: 0.2035215332888315
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Energy: 0.07263949829747339
Energy: 0.09411782008185729
Energy: 0.4047302593593114
Energy: -0.15204078376450064
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Energy: 0.04808363579571534
Energy: 0.3780406217503996
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Energy: 0.32592000598785725
Energy: 0.2374233293660025
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Energy: 0.3318218274123471
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Energy: 0.22852411667693984
Energy: 0.28140860123189715
Energy: 0.2088267828503131
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Energy: 0.38074034382505434
Energy: 0.3501736565681013
Energy: 0.44126077334952235
Energy: 0.3711423964688618
Energy: 0.33165935501768345
Energy: 0.31290850583294455
Energy: 0.3080414838318825
Energy: 0.1561946556005859
Energy: 0.2897455241682333
Energy: 0.317865594741238
Energy: 0.17461972627912542
Energy: 0.442493329421881
Energy: 0.49459747337630205
Energy: 0.258588179003832
Energy: 0.2818146020991606
Energy: 0.5136583751924008
Energy: 0.18455763125820118
Energy: 0.5286220861142922
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Energy: 0.21479449799140277
Energy: 0.10804969871425725
Energy: 0.11930373103852299
Energy: 0.28759878266465894
Energy: 0.16512981900222748
Energy: 0.4295340511792361
Energy: 0.451736524516681
Energy: 0.20085618387387036
Energy: 0.34365594295779467
Energy: 0.24785756247000792
Energy: 0.5188310034143985
Energy: 0.33376873015594827
Energy: 0.2283051119295439
Energy: 0.28530271510431615
Energy: 0.3988347526990714
Energy: 0.44444562392919706
Energy: 0.4604677851363666
Energy: 0.023004724735718803
Energy: 0.19053420441572838
Energy: 0.38151746723301905
Energy: 0.013209829835074776
Energy: 0.18757333269121948
Energy: 0.02570117135427815
Energy: -0.07846161679683394
Energy: -0.0794793362877838
Energy: 0.013739803887727197
Energy: -0.3842949349722237
Energy: 0.007696026192810102
Energy: 0.210992159528573
Energy: 0.5009876975699411
Energy: 0.5360488320751293
Energy: -0.1775523691126159
Energy: 0.50027704133632
Energy: 0.5139844544229137
Energy: 0.035040070185663914
Energy: -0.013835779735067149
Energy: -0.05329420702342897
Energy: 0.14743240073575595
Energy: -0.3389946072208742
Energy: 0.3932954525485317
Energy: 0.5461037309530982
Energy: -0.32007733590729653
Energy: -0.1319322574291091
Energy: 0.409696422546806
Energy: -0.309193655451799
Energy: 0.2780097189089681

minimum gb energy = -0.3842949349722237 eV
minimum distance =  2.32070412216656 Angstroms
sigma value = 17


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

Energy: 0.6240707201301584
Energy: 0.5244863655284483
Energy: 0.28684947008555634
Energy: 0.2528453836898395
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Energy: 0.36916357899144103
Energy: 0.22494893639263688
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Energy: 0.37631513172118936
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Energy: -0.07380781039741431
Energy: 0.3176706526207839
Energy: 0.3535008125385477
Energy: 0.07187766336245818
Energy: 0.5393226998059715
Energy: 0.3975256781332584
Energy: 0.5264973315310942
Energy: 0.3223708496028142
Energy: 0.44414709346562986
Energy: 0.32299440374290556
Energy: 0.5418413868885696
Energy: 0.40462731434920096
Energy: 0.45748977622909676
Energy: 0.3745794126670446
Energy: 0.3652573125665252
Energy: 0.3482898444751815
Energy: 0.5191586757566027
Energy: 0.3332541152229983
Energy: 0.3594309744770013
Energy: 0.4026270480758537
Energy: 0.18660514682828133
Energy: 0.3352670287057998
Energy: 0.17615582143853617
Energy: 0.006416719373677129
Energy: 0.5912689175843814
Energy: 0.3302647910215327
Energy: -0.4979551586110731
Energy: 0.4676890100402995
Energy: 0.8161113909607024
Energy: 0.278419946627872
Energy: 0.47382987511762803
Energy: 0.17349465925262214
Energy: 0.6576467194556763
Energy: 0.4593191655527635
Energy: 0.377595283752502
Energy: 0.33668537766421125
Energy: 0.42568601539994927
Energy: 0.27850813272169683
Energy: 0.42028219964160635
Energy: 0.39678426639855263
Energy: 0.4899350165003874
Energy: 0.4047990531712139
Energy: 0.43887023168470085
Energy: 0.38831147880345285
Energy: 0.34536827753316124
Energy: 0.43061239286474823

minimum gb energy = -0.5358806563009441 eV
minimum distance =  2.32332058133185 Angstroms
sigma value = 57


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

Energy: 0.5952934463737364
Energy: 0.48264461292869326
Energy: 0.32547827810773217
Energy: 0.44128762999672455
Energy: 0.655215460783108
Energy: 0.36014989409625153
Energy: 0.9542538194666002
Energy: 0.3000045091242539
Energy: 0.35706273311140413
Energy: 0.4831101550002259
Energy: 0.29921595212635127
Energy: 0.3604920280676633
Energy: 0.9474451632003611
Energy: 0.6211380895555122
Energy: 0.4627706600439263
Energy: 0.385568622629885
Energy: 0.7007239406303689
Energy: 0.39878246213759366
Energy: 0.599052778481209
Energy: 0.5209038323985863
Energy: 0.3502661985474038
Energy: 0.2342327300313604
Energy: 0.4543508298423621
Energy: 0.1865910710441686
Energy: 0.6962975844820577
Energy: 0.3594237056672547
Energy: 0.28759042935197227
Energy: 0.4238089895145223
Energy: 0.3549508887318939
Energy: 0.337006603492018
Energy: 0.5526600655054146
Energy: 0.42742713458590526
Energy: 0.35310657735201356
Energy: 0.252728474160048
Energy: 0.43581297781215134
Energy: 0.2473970715741857
Energy: 0.8094794012514525
Energy: 0.32572033726545163
Energy: 0.31763233434800675
Energy: 0.31551220901927746
Energy: 0.44658508423445825
Energy: 0.36637545817449063
Energy: 0.7565206518354325
Energy: 0.3954340480034135
Energy: 0.3021787777299115
Energy: 0.34018767503053077
Energy: 0.5162023112245535
Energy: 0.2989441922636529
Energy: 0.6251563574266688
Energy: 0.4353947886270091
Energy: 0.4176979615362623
Energy: 0.47316397116658043
Energy: 0.47958646372570923
Energy: 0.5056245003701353
Energy: 0.4297294980259488
Energy: 0.3691761424613677
Energy: 0.32512438546876565
Energy: 0.43965638172419313
Energy: 0.2820108538333444
Energy: 0.3958594388698268
Energy: 0.3755463583983926
Energy: 0.4049800739920173
Energy: 0.3890499636196973
Energy: 0.4666429652102991
Energy: 0.4280238039950363
Energy: 0.4007338727807267
Energy: 0.6917878238894154
Energy: 0.36697767501421175
Energy: 0.3640051943813064
Energy: 0.457508984799125
Energy: 0.424583372393452
Energy: 0.41492791673699625
Energy: 0.5465995497912542
Energy: 0.28899309298335
Energy: 0.2869194114435298
Energy: 0.45192844699289847
Energy: 0.4592083076901182
Energy: 0.2729822553466843
Energy: 0.7070796739201152
Energy: 0.4658496150980776
Energy: 0.4325457659736688
Energy: 0.7088432062133341
Energy: 0.3925193792831439
Energy: 0.432629052267761
Energy: 0.5773282090478183
Energy: 0.3530980164128106
Energy: 0.22486440925649423
Energy: 0.42680893807681
Energy: 0.34943965686834183
Energy: 0.3946339848842447
Energy: 0.5625689304641063
Energy: 0.40133462693030686
Energy: 0.39273494204469966
Energy: 0.2082734810933073
Energy: 0.40570480754486876
Energy: 0.414438403306438
Energy: 0.5673114915180081
Energy: 0.4281072687416067
Energy: 0.4126400814358368
Energy: 0.5127074817981752
Energy: 0.400861617213189
Energy: 0.45373171886428826
Energy: 0.446044535240538
Energy: 0.26925110581338524
Energy: 0.32818719375194416
Energy: 0.503483486523841
Energy: 0.2629530490562654
Energy: 0.391754215528903
Energy: 0.5330740508069577
Energy: 0.24955492847018157
Energy: 0.31895711638074165
Energy: 0.31160668475404013
Energy: 0.30713322381908337
Energy: 0.3904247303114371
Energy: 0.7915036141962979
Energy: 0.19456370700140782
Energy: 0.27064192336754944
Energy: 0.3253090374887853
Energy: 0.1681952898494341
Energy: 0.30177887896417593
Energy: 0.5269172161603375
Energy: 0.3981764024441694
Energy: 0.3434162078448319
Energy: 0.34309511225817735
Energy: 0.39463034648316886
Energy: 0.40766777039057467
Energy: 0.5693859619327464
Energy: 0.4382422951703884
Energy: 0.4126056402867388
Energy: 0.6269719237089969
Energy: 0.5131822374261316
Energy: 0.3505369681885145
Energy: 0.740911630679739
Energy: 0.42114826761120455
Energy: 0.46179894571903773
Energy: 0.5215638433034736
Energy: 0.4379839008532847
Energy: 0.4507432488839572
Energy: 0.8473400685623569
Energy: 0.36834496040607484
Energy: 0.3485404964342332
Energy: 0.34250988209892935
Energy: 0.3203679507354607
Energy: 0.32808424641434064
Energy: 1.0047474327317223
Energy: 0.28612627539695973
Energy: 0.3383353702336205
Energy: 0.2574406561577314
Energy: 0.6340453478070202
Energy: 0.3628066894427043
Energy: 0.5816505505439836
Energy: 0.3600346470243206
Energy: 0.42459546232743817
Energy: 0.470514650365352
Energy: 0.22549930838133456
Energy: 0.36718434981527287
Energy: 0.5890648562317954
Energy: 0.32391059899532554
Energy: 0.39101240676871424
Energy: 0.6023723459233721
Energy: 0.2933727813771131
Energy: 0.38551416093580254

minimum gb energy = 0.1681952898494341 eV
minimum distance =  2.3695290374372 Angstroms
sigma value = 43


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

Energy: 0.5526583285583
Energy: 0.372490004373858
Energy: 0.22693965428008908
Energy: 0.46118234436666117
Energy: 0.30131850167564345
Energy: 0.23527621926214198
Energy: 0.7939613685708252
Energy: 0.19781410191089963
Energy: 0.2328691794677321
Energy: 0.33597360681755667
Energy: 0.21138296588722838
Energy: -1.182287876531595
Energy: 0.7942553179478947
Energy: 0.39767333584271414
Energy: 0.3128953298114464
Energy: 0.09888869058515035
Energy: 0.3961718438140927
Energy: 0.2765902840388669
Energy: 0.6300693125295997
Energy: 0.38558644365705924
Energy: 0.3057360775570535
Energy: -2.1866228960550917
Energy: 0.3549035564747314
Energy: 0.2807188358019947
Energy: 0.6913855260210626
Energy: 0.26602611467133197
Energy: -1.5904585492122525
Energy: 0.20480730299274827
Energy: 0.2639177803687945
Energy: 0.2753318459953399
Energy: 0.5230960275371729
Energy: 0.1905296505365893
Energy: 0.30765353148211594
Energy: 0.33521200013384533
Energy: 0.22581983945410902
Energy: 0.30453995416171803
Energy: 0.6579782309959582
Energy: 0.3627422036972556
Energy: 0.15498935528434452
Energy: 0.20748113505881263
Energy: -1.5895059831343052
Energy: 0.12679809092884203
Energy: 0.6530079630314486
Energy: 0.3934906637319073
Energy: 0.2586754591540018
Energy: 0.39577405743511435
Energy: 0.40508935107922694
Energy: 0.21707204720461745
Energy: 0.6273339819796051
Energy: 0.4383496285640032
Energy: 0.4140682818839025
Energy: 0.37723543218233146
Energy: 0.19637734594609535
Energy: 0.3498787217785772
Energy: 0.5635982863448558
Energy: 0.3455366883219984
Energy: 0.2683420419380544
Energy: 0.3070043135538486
Energy: 0.34271206313287605
Energy: 0.28753452568095395
Energy: 0.5597701829688126
Energy: 0.26141252695849765
Energy: 0.35313013626199363
Energy: 0.380703644081438
Energy: 0.27439371772533167
Energy: 0.3754414661678109
Energy: 0.560180658953962
Energy: 0.3554318063816749
Energy: 0.3474756635997417
Energy: 0.3360644823887977
Energy: 0.34674695196795857
Energy: 0.35392181871419226
Energy: 0.614279658559079
Energy: 0.2528841858591361
Energy: 0.2728824675351107
Energy: 0.3993192540406854
Energy: 0.3764577865259902
Energy: 0.3145095459386887
Energy: 0.5820056040020576
Energy: 0.2966504735733669
Energy: 0.3221824757145045
Energy: 0.39023418379773334
Energy: 0.3506473608772164
Energy: 0.3797524529006096
Energy: 0.5605103285676093
Energy: 0.3254078290137235
Energy: 0.274461366301175
Energy: 0.35570332210957495
Energy: 0.3290759964697761
Energy: 0.3160548148946831
Energy: 0.5533251296885013
Energy: 0.3465634519743503
Energy: 0.35933354039253235
Energy: 0.36030886966896636
Energy: 0.36654317753743465
Energy: 0.32941719443880313
Energy: 0.5559520359676742
Energy: 0.3430450526719098
Energy: 0.3361128395749387
Energy: 0.3545657006455219
Energy: 0.3560705252516578
Energy: 0.3520371000205071
Energy: 0.5579684440019274
Energy: 0.31334215298055873
Energy: 0.33859600935533923
Energy: 0.34643368939838426
Energy: 0.2935491970812839
Energy: 0.3418066275377818
Energy: 0.5819659716629293
Energy: 0.34596072166872677
Energy: 0.340535049171731
Energy: 0.5830825761133147
Energy: 0.3312871547614394
Energy: 0.3248539441338086
Energy: 0.5904324318296175
Energy: 0.2866316286843706
Energy: 0.34086930798595777
Energy: 0.36794015417328063
Energy: 0.29031997936569526
Energy: 0.3254352556963705
Energy: 0.5553942548753088
Energy: 0.349745145459241
Energy: 0.3548797508188361
Energy: 0.3400550082427955
Energy: 0.3541935450565036
Energy: 0.34942116403677215
Energy: 0.533154418577434
Energy: 0.3564919100401219
Energy: 0.2811850168568322
Energy: 0.38208935194177807
Energy: 0.3699194588700439
Energy: 0.2803581294352967
Energy: 0.5638953192174763
Energy: 0.2609630502653441
Energy: 0.27755773057633626
Energy: 0.3724148546607588
Energy: 0.3308198543347514
Energy: 0.3702776875882137
Energy: 0.5646959634429078
Energy: 0.3042962114535421
Energy: 0.38945693217482774
Energy: 0.37291040565150235
Energy: 0.3044355621274847
Energy: 0.3567329142976006
Energy: 0.6316830275423329
Energy: 0.26713432790937947
Energy: 0.03551736104277114
Energy: 0.3919759310363501
Energy: 0.3766603835423515
Energy: 0.1917028531347516
Energy: 0.5819174541132631
Energy: 0.3619273378287232
Energy: 0.3328963185877088
Energy: 0.4047441739164475
Energy: 0.19972736424204202
Energy: 0.2698136325087848
Energy: 0.6179594951587135
Energy: 0.205124069102085
Energy: 0.23330354697902428
Energy: 0.3975008921227982
Energy: 0.20257354947232473
Energy: 0.3844310554762804
Energy: 0.6222348315395778
Energy: 0.34135117464663767
Energy: 0.04318999633332967
Energy: 0.22990393767896294
Energy: 0.3085805134726837
Energy: 0.17258000394916717
Energy: 0.6547329296293471
Energy: 0.3988592767109066
Energy: 0.2926311296422598
Energy: -2.5053090328780505
Energy: 0.25207794792981836
Energy: 0.36818336829856013
Energy: 0.6753156477481844
Energy: 0.4009281005147938
Energy: 0.3103275881319484
Energy: 0.23087594505232442
Energy: 0.4279939551741125
Energy: 0.16054544141170135
Energy: 0.7533660799500671
Energy: 0.30110996320843725
Energy: 0.3045980213939697
Energy: 0.22243425764292285
Energy: -2.355261872346105
Energy: 0.19478999526096744
Energy: 0.5796510992047541
Energy: 0.32904386704633376
Energy: 0.2876760178174689
Energy: 0.41830768071997676
Energy: 0.32085909314643996
Energy: 0.31463023813215035
Energy: 0.709156095007704
Energy: -0.0694155727123919
Energy: 0.01567586808992697
Energy: 0.3048087772989414
Energy: -0.18327727800638333
Energy: -0.02785995990561396
Energy: 0.6768741496540548
Energy: 0.3076958932924021
Energy: 0.309918631758012
Energy: -0.1549570979871242
Energy: 0.49301824312129194
Energy: 0.26547448929119133
Energy: 0.81404832477821
Energy: 0.3867392250255896
Energy: 0.44939614177383563
Energy: 0.11467992005023359
Energy: 0.4272398962368387
Energy: 0.46984680666279577
Energy: 0.5979456581398137
Energy: 0.31496302102179624
Energy: 0.32437642877362655
Energy: 0.13244971282822313
Energy: 0.06673271682720518
Energy: 0.28033329658717

minimum gb energy = -2.5053090328780505 eV
minimum distance =  2.33163647505676 Angstroms
sigma value = 81


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

Energy: 0.010789490218888873
Energy: 0.010306338565638295
Energy: 0.006923689679543007
Energy: 0.013353180417316129
Energy: 0.014767623305880231
Energy: 0.0065071275353800985
Energy: -0.00986378352008567
Energy: 0.011758222795651028
Energy: 0.011776359564642793
Energy: 0.012535141293145867
Energy: 0.014875343418166848
Energy: 0.007541278228809852
Energy: 0.014267040581316072
Energy: 0.016767397608441988
Energy: 0.016000092402796852
Energy: 0.0356570184280491
Energy: 0.013617438213202292
Energy: 0.01397299967958178
Energy: 0.013655187375711409
Energy: 0.008009293116426733
Energy: 0.01016045171718346
Energy: 0.016947673995047447
Energy: 0.008872028497050023
Energy: 0.016216632848850318
Energy: 0.01157172570942396
Energy: 0.015853481746188513
Energy: 0.03590813830026074
Energy: 0.00992955629072835
Energy: 0.01741242080714201
Energy: 0.03534419243916199
Energy: 0.012043369157043664
Energy: 0.002696518902070305
Energy: 0.006998044742781464
Energy: 0.013571824134396147
Energy: 0.00975057705946795
Energy: 0.006139662052850187
Energy: 0.014869541651859074
Energy: 0.011819081223753879
Energy: 0.011586203731990442
Energy: 0.03661649057030328
Energy: 0.0116573140796879
Energy: 0.00831161711136043
Energy: 0.016238326204071684
Energy: 0.01479357922213056
Energy: 0.01663638588817243
Energy: 0.036953873844421926
Energy: 0.011435835252555275
Energy: 0.013535795242750559
Energy: 0.013032591159107466
Energy: 0.008148488266127817
Energy: 0.01064408107765558
Energy: 0.014775851988510733
Energy: 0.008655031603970053
Energy: 0.010695946179635839
Energy: 0.01149680801879217
Energy: 0.036078786596213774
Energy: 0.03324841349506567
Energy: 0.01071059638874719
Energy: 0.0102609607222986
Energy: 0.012752175956870981

minimum gb energy = -0.00986378352008567 eV
minimum distance =  2.43325038073268 Angstroms
sigma value = 3


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

Energy: 0.38253308508976736
Energy: 0.4977798673198666
Energy: 0.4374131371741886
Energy: 0.4672627240936203
Energy: 0.694412695387619
Energy: 0.43912038022193783
Energy: 0.5558657314730188
Energy: 0.471674813023089
Energy: 0.43050187188999856
Energy: -1.3143397067946445
Energy: 0.4859438065208761
Energy: 0.44484043192060563
Energy: 0.5465837016871592
Energy: 0.38999502874940584
Energy: 0.4167912400551399
Energy: 0.5001214502434567
Energy: 0.30845102940355784
Energy: 0.45248821575282927
Energy: 0.5517070980979258
Energy: 0.4560040418764184
Energy: 0.46254347633851456
Energy: 0.5452506973595096
Energy: 0.4744089844189011
Energy: 0.41185380173259
Energy: 0.49459840657574833
Energy: 0.4456806290826848
Energy: -2.2303941776890706
Energy: 0.5781838604656299
Energy: 0.4859872326320853
Energy: 0.47242749528415406
Energy: 0.47780686068699485
Energy: 0.5563776680658071
Energy: 0.5981110452201401
Energy: 0.3419713734000789
Energy: 0.5455748606581886
Energy: 0.3769000203065515
Energy: 0.5448914893846388
Energy: 0.4589534862255366
Energy: 0.4382666296282795
Energy: 0.4919506510671501
Energy: 0.5025087410268863
Energy: 0.4590775287407268
Energy: 0.5339628470491071
Energy: 0.46025981622006024
Energy: 0.43622569697498187
Energy: 0.5059996761340184
Energy: 0.25412467846503795
Energy: 0.4548477234749448
Energy: 0.49675117619540604
Energy: 0.5307880191220514
Energy: 0.5974698735912943
Energy: 0.4174608581926282
Energy: 0.5232948034897117
Energy: 0.034190884332727406
Energy: 0.4776498760451096
Energy: 0.47838907791792135
Energy: 0.4973573674365037
Energy: 0.3717736197069429
Energy: 0.47632959085435345
Energy: 0.3875080296943527
Energy: 0.4987553187105247
Energy: 0.4756535363135949
Energy: 0.3736410418397975
Energy: 0.36000933809325525
Energy: 0.4799289917198531
Energy: 0.37173032625977903
Energy: 0.49095625782767843
Energy: 0.3767560334190782
Energy: 0.3926004305893133
Energy: 0.46864217971848154
Energy: 0.37667149030107777
Energy: 0.35860311841660714
Energy: 0.5195547923612668
Energy: 0.39105193642727454
Energy: 0.47343976943240723
Energy: 0.49732022091896416
Energy: 0.38991883778390696
Energy: 0.46782239246604557
Energy: 0.4761949895224042
Energy: 0.57144167801248
Energy: 0.5533865775495544
Energy: 0.3097534921855912
Energy: 0.560806754048842
Energy: 0.4062907583185049
Energy: 0.47477352892715396
Energy: 0.4351394394595722
Energy: 0.4211638097101475
Energy: 0.22833440277112094
Energy: 0.4715299613827644
Energy: 0.3287001246625337
Energy: 0.5028202771399236
Energy: 0.33808023635760703
Energy: 0.3176969737170155
Energy: 0.3725641950247184
Energy: 0.44243684770874964
Energy: 0.39166688558788704
Energy: 0.4588507498664348
Energy: 0.34385130135756137
Energy: 0.38914390455830616
Energy: 0.4438810457894537
Energy: 0.2281361802024018
Energy: 0.3813384580960616
Energy: 0.5565932151553389
Energy: 0.43183878299979356
Energy: 0.46045494879758425
Energy: 0.5278196540840755
Energy: 0.43685350357066016
Energy: 0.4337559285664272
Energy: 0.5231552601130587
Energy: 0.3987484818312786
Energy: 0.39666724737701725
Energy: 0.4564314471236683
Energy: 0.41310037819705764
Energy: 0.38779602422195264
Energy: 0.4726944188438018
Energy: 0.4604057090069312
Energy: 0.3509534231694225
Energy: 0.2186482740489707
Energy: 0.45065734883087627
Energy: 0.351274928650332
Energy: 0.48458397517552343
Energy: 0.2225623278967158
Energy: 0.45993848724224434
Energy: 0.33080069079529384
Energy: 0.36357539270699096
Energy: 0.41674865054061844
Energy: 0.4633666347200778
Energy: 0.2232107412171027
Energy: 0.40829517666152454
Energy: 0.45771977199013986
Energy: 0.21609941007627567
Energy: 0.419842563780996
Energy: 0.5424262658778897
Energy: 0.4523460385475333
Energy: 0.4194760470748709
Energy: 0.47999901440205706
Energy: 0.47826777757066874
Energy: 0.38118984196110045
Energy: 0.5579856646670709
Energy: 0.3625295916607683
Energy: 0.3873433353378822
Energy: 0.45628158359623755
Energy: 0.365035847651167
Energy: 0.4648569567075864
Energy: 0.4860042764490392
Energy: 0.34815500355548684
Energy: 0.3718165910477799
Energy: -2.4901686729862034
Energy: 0.4598496154522423
Energy: 0.3589617997671764
Energy: 0.5860118274075558
Energy: 0.3261452351012584
Energy: 0.43582208804300093
Energy: 0.32817169187029777
Energy: 0.31433708326189025
Energy: 0.35667084450089187
Energy: 0.5216758546732347
Energy: 0.3201412523986276
Energy: 0.42316134837578856
Energy: 0.4651310767372428
Energy: 0.2749801141100535
Energy: 0.4620656158237987
Energy: 0.5903205527700058
Energy: 0.5010233820009291
Energy: 0.592101044119623
Energy: 0.5488853570717249
Energy: 0.426259555192329
Energy: 0.47816959471110304
Energy: 0.46371334332271835
Energy: 0.531551122350006
Energy: 0.5121615996241161
Energy: 0.40459961866659194
Energy: 0.5061741672816564
Energy: 0.46943649397709625
Energy: 0.5086675188669114
Energy: -2.325906526009846
Energy: 0.4394014800679996
Energy: 0.482704320623881
Energy: 0.504077096367781
Energy: 0.5421785889915313
Energy: 0.6555604312360972
Energy: 0.3924628803230394
Energy: 0.3416697130707375
Energy: 0.6093520570540064
Energy: 0.37772567575701593
Energy: 0.33776505870209916
Energy: 0.5526517271519952
Energy: 0.4571677704464862
Energy: 0.474869257106418
Energy: 0.4885039155415187
Energy: 0.4204359790901298
Energy: -2.413473984757804
Energy: 0.5041047172568385
Energy: 0.5158091466168727
Energy: -1.8669446843378377
Energy: 0.6606437767928443
Energy: 0.5266584515416668
Energy: 0.35330781538529327

minimum gb energy = -2.4901686729862034 eV
minimum distance =  2.27755761793659 Angstroms
sigma value = 67


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

Energy: 0.5890977660603143
Energy: 0.7927269347728434
Energy: 1.0066166238625953
Energy: 0.6525281641730826
Energy: 0.8634810092635995
Energy: 0.7168593664112265
Energy: 0.6974354718453488
Energy: 0.3364537563507568
Energy: -0.26129873571563633
Energy: -0.4573833300133241
Energy: 0.6088914155083948
Energy: -1.0106144742573797
Energy: 0.7164759849350427
Energy: 0.43573566126519925
Energy: 0.4725226478804058
Energy: -0.676403545301507
Energy: 0.4551718816043497
Energy: 0.47162881730811623
Energy: 0.6642417245963858
Energy: 0.495100571656628
Energy: -0.5023855667507549
Energy: 0.41941723723825725
Energy: 0.5006750477431041
Energy: 0.46864366856509315
Energy: 0.7477713361154612
Energy: -1.618306305781495
Energy: -1.7011034121830544
Energy: 0.65521706340436
Energy: 0.6037537510242975
Energy: 0.5136530574743576
Energy: 0.5352981810684435
Energy: 0.5729037354960745
Energy: 0.7192978248179839
Energy: 0.42265232383839507
Energy: 0.7648236928566658
Energy: 0.6746869621821889
Energy: 0.7309892610411269
Energy: 0.5190804564660081
Energy: 0.4578548687403714
Energy: 0.6520596525692891
Energy: 0.005889523854205205
Energy: 0.472565881632953
Energy: 0.7115319271790987
Energy: 0.568688251076821
Energy: 0.5457248923762247
Energy: 0.6912264413613722
Energy: 0.33096331878749974
Energy: 0.4943092168033943
Energy: 0.5582307562785229
Energy: 0.7166650662766534
Energy: 0.7111941880162764
Energy: 0.41971869095829023
Energy: 0.7175431981316711
Energy: -1.3251219530235574
Energy: 0.5701570233422238
Energy: 0.6178160648778392
Energy: 0.3247181215803239
Energy: 0.393235868644154
Energy: 0.6203099453326993
Energy: 0.438629612606381
Energy: 0.575964370769164
Energy: 0.5406315943634282
Energy: 0.4028638321609263
Energy: 0.4360252377825628
Energy: 0.5407756055007018
Energy: 0.41972743874201823
Energy: 0.6515036754367429
Energy: 0.5307509249889697
Energy: 0.6039634363757651
Energy: 0.6520291836190416
Energy: -1.1064136798887552
Energy: 0.5933487179600989
Energy: 0.6894118987393151
Energy: 0.5728254913495803
Energy: 0.6918406618994339
Energy: 0.6553731276788509
Energy: 0.47603090193284114
Energy: 0.6920189478297035
Energy: 0.5606681004093182
Energy: 0.5301523416511758
Energy: 0.4896656465511881
Energy: 0.41983056640301797
Energy: 0.6075014476236033
Energy: 0.5748382710863589
Energy: 0.5662144805086495
Energy: 0.6200883643128149
Energy: 0.4508796290508124
Energy: 0.3681473917993555
Energy: 0.6114665216392002
Energy: 0.40637380403855355
Energy: 0.5578185413444309
Energy: 0.663457816101894
Energy: 0.44567173502423507
Energy: 0.4046358419032538
Energy: 0.6668157908187698
Energy: 0.44184751202499933
Energy: 0.7159124574941371
Energy: 0.5557097731248529
Energy: 0.5306005223731407
Energy: 0.6709269958659781
Energy: 0.3003111590706651
Energy: 0.5365833041412207
Energy: 0.7293015533852395
Energy: 0.5002854746988513
Energy: 0.5131365994727564
Energy: 0.6922055022579304
Energy: 0.47518164081204756
Energy: 0.41004613697856623
Energy: 0.5205741043206742
Energy: 0.43499290676490154
Energy: 0.5169505401177589
Energy: 0.6369019237482153
Energy: 0.7176477049298975
Energy: 0.6212001393018213
Energy: 0.6479501995760105
Energy: -1.269402437816227
Energy: 0.3596674458246391
Energy: 0.5699028349546852
Energy: 0.6428015928049939
Energy: 0.47519856870785604
Energy: 0.5662910300616767
Energy: 0.4781996706128998
Energy: -2.41930197686105
Energy: -1.6657817431777913
Energy: 0.4729898372692758
Energy: 0.4378247530862705
Energy: 0.7167293847772408
Energy: 0.38413228178992975
Energy: 0.44816933639469064
Energy: 0.5847226874383209
Energy: 0.3821394961848015
Energy: 0.437993540358369
Energy: 0.7030049659237287
Energy: 0.6218540891204364
Energy: 0.5462824171324301
Energy: 0.653467675220298
Energy: 0.6302948716243386
Energy: -1.7222025723181413

minimum gb energy = -2.41930197686105 eV
minimum distance =  2.36193564336439 Angstroms
sigma value = 33


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

Energy: 0.7084576827315221
Energy: 0.861725926683136
Energy: 0.8764644543738678
Energy: 0.829574403918586
Energy: 1.0460014447843329
Energy: 0.8493150604466525
Energy: 0.8029907314430829
Energy: 0.6092917882317609
Energy: 0.35582574727284805
Energy: 0.3326508907374252
Energy: 0.37295218109827444
Energy: 0.47101870422643566
Energy: 0.8324529777579786
Energy: 0.5356081771279417
Energy: 0.5367273050064328
Energy: 0.5760174442193251
Energy: 0.5904076104059465
Energy: 0.5388232129321813
Energy: 0.7566147628388323
Energy: 0.5358825867192578
Energy: 0.5893987845286505
Energy: 0.5624485663143158
Energy: 0.6052054517130846
Energy: 0.5409102204161963
Energy: 0.8173647951055018
Energy: 0.616217843376999
Energy: -0.31408692974053215
Energy: 0.5936275994243233
Energy: 0.6588611295766952
Energy: 0.4126885856433917
Energy: 0.6262990816346578
Energy: 0.4254749305317191
Energy: 0.5295228777943868
Energy: 0.6748384913005144
Energy: 0.7085037169566359
Energy: 0.7935373099063179
Energy: 0.8164067888829193
Energy: -0.0991851597155112
Energy: 0.12712609461308194
Energy: 0.768428543759313
Energy: 0.02878159141960226
Energy: 0.5371040336470343
Energy: 0.8328744423106629
Energy: 0.5583360379925024
Energy: 0.5919197427707512
Energy: 0.7877509256291775
Energy: 0.5619726536843542
Energy: 0.563483830286338
Energy: 0.6321477293517813
Energy: 0.6952486759854581
Energy: 0.5553658913535859
Energy: 0.5036834238986415
Energy: 0.8220689387164143
Energy: 0.5446438436919857
Energy: 0.6431457115625311
Energy: 0.6507351862770395
Energy: 0.5787046222053609
Energy: 0.5341996935456356
Energy: 0.7515908527467368
Energy: 0.509020338507541
Energy: 0.6093392013739611
Energy: 0.5001826157459376
Energy: 0.7685288896909829
Energy: 0.5019316869409318
Energy: 0.49890255133709493
Energy: 0.5182742387120335
Energy: 0.8933785058270937
Energy: 0.6290654311306472
Energy: 0.6687188068182714
Energy: 0.8454436952415977
Energy: 0.4947331844206227
Energy: 0.7629523038221022
Energy: 0.8835272289064184
Energy: 0.12718324186151977
Energy: 0.11388258487977206
Energy: 0.8546509129354402
Energy: 0.5069562368151773
Energy: 0.5394895285739633
Energy: 0.6041827958102061
Energy: 0.25363927275879977
Energy: 0.6393006608124925
Energy: 0.5110009103118314
Energy: 0.09711065125027157
Energy: 0.6897146602849314
Energy: 0.6465961176779894
Energy: 0.6933788147400488
Energy: 0.4871905422052596
Energy: 0.46506547440326734
Energy: 0.7670307049068665
Energy: 0.3805077637920275
Energy: 0.6640420954163866
Energy: 0.7025456047097374
Energy: 0.5413465556602095
Energy: 0.399451855749509
Energy: 0.7328029314866961
Energy: 0.5472749037031405
Energy: 0.8575580519479654
Energy: 0.5227311385851916
Energy: 0.5709767281704871
Energy: 0.8136392341511073
Energy: 0.5916231511000268
Energy: 0.5168496683304188
Energy: 1.039341852719547
Energy: 0.6316725718948819
Energy: 0.4381901234780211
Energy: 0.46674525584130255
Energy: 0.5305113931779107
Energy: 0.6828861624904733
Energy: 0.6408546080631066
Energy: 0.8596080472043863
Energy: 0.8423388081230179
Energy: 0.608025370564139
Energy: 0.8441316259464681
Energy: 0.8788476992886726
Energy: 0.8038194126786307
Energy: 0.612812151001886
Energy: -0.3271107013966838
Energy: 0.6925469811839136
Energy: 0.3741844098493231
Energy: 0.6000894222305411
Energy: 0.8385832088234809
Energy: 0.5361852541134191
Energy: 0.5174524473843275
Energy: 0.5915772941117754
Energy: 0.5849397578758855
Energy: 0.5351534404452623
Energy: 0.7541716309593678
Energy: 0.5365948604439496
Energy: 0.5372640827080998
Energy: 0.6819087768357168
Energy: 0.6026579587036428
Energy: 0.5373753306131226
Energy: 0.8251415182646866
Energy: 0.5771036638234108
Energy: -1.0329865229781996
Energy: 0.868769035059833
Energy: 0.36339258331188273
Energy: 0.5901992049374727
Energy: 0.6257764938125673
Energy: 0.6795548994235197
Energy: 0.7002366996510695
Energy: 0.8004877847713957
Energy: 0.8484677835743238
Energy: 0.8002474597163753
Energy: 0.8081053329513723
Energy: 0.8443155598829865
Energy: 0.867817014470211
Energy: 0.7696497516210195
Energy: 0.5520851398300978
Energy: 0.716816867425498
Energy: 0.8202170817468348
Energy: 0.5319323308683076
Energy: 0.5671491149313408
Energy: 0.7712223125160539
Energy: 0.5565224111900999
Energy: 0.5649595505499727
Energy: 0.639274113017826
Energy: 0.5547847113253146
Energy: 0.5496530465993492
Energy: 0.5115853397912058
Energy: 0.5597443045475796
Energy: 0.5745102919937212
Energy: 0.6444945505149056
Energy: 0.6472548049337594
Energy: 0.5447023844195574
Energy: 0.5049041619288916
Energy: 0.7513937843057644
Energy: 0.5316872364098666
Energy: 0.6109399095601752
Energy: 0.5310625510872178
Energy: 0.780611877951305
Energy: 0.5041262860244653
Energy: 0.4995784513003681
Energy: 0.7972273900615141
Energy: 0.880803317018815
Energy: 0.7566028293775006
Energy: 0.7543356000092108
Energy: 0.8176127548826744
Energy: 0.622897157920962
Energy: 0.7554317548873593
Energy: 0.8757913333125641
Energy: 0.24135370459799202
Energy: 0.5118774419391404
Energy: 0.8413985351252016
Energy: 0.5197883896054629
Energy: 0.5749723125807965
Energy: 0.6058914876657076
Energy: 0.507961765299393
Energy: 0.5068423965523979
Energy: 0.5203187056812834
Energy: 0.4930305744854792
Energy: 0.49525212019334935
Energy: 0.6467069475618401
Energy: 0.6942287722069889
Energy: 0.26259961850412544
Energy: 0.46759494794610124
Energy: 0.7585125446551013
Energy: -0.16310924149559272
Energy: 0.6582381020822453
Energy: 0.7129155101653997
Energy: 0.671389691358802
Energy: 0.4026719584026687
Energy: 0.7330330675378146
Energy: 0.43970490511304666
Energy: 0.9013061327533873
Energy: 0.9166856598930213
Energy: 0.6125340861927434
Energy: 0.8484406237097921
Energy: 0.467437780433695
Energy: 0.85960503353526
Energy: 0.8192701851632003
Energy: 0.4234009205220545
Energy: 0.4701565512022827
Energy: 0.5417731838583001
Energy: 0.4393653416075979
Energy: 0.7056239929613225
Energy: 0.6346493983962431
Energy: 0.6811042199464864
Energy: 0.7173060683834039
Energy: 0.5581104412967032
Energy: 0.8343883575687904
Energy: 0.7490518798363069

minimum gb energy = -1.0329865229781996 eV
minimum distance =  2.31645368214145 Angstroms
sigma value = 41


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

Energy: 1.6451069091235488
Energy: 1.0517349811375902
Energy: 1.0406039533433136
Energy: 0.9975132250995451
Energy: 1.163922902640265
Energy: 1.029113769017545
Energy: 1.0162376098309114
Energy: 0.7926056101642756
Energy: 0.732269378897812
Energy: 0.5492755476323546
Energy: 0.7960962796835634
Energy: 0.7099588442863333
Energy: 0.9877931116533931
Energy: 0.7078112279487802
Energy: 0.7199480373780789
Energy: 0.7915314988704135
Energy: 0.7340727557893589
Energy: 0.6640985332123016
Energy: 0.8500329634626304
Energy: 0.7022586047183637
Energy: 0.72581299408458
Energy: 0.6814280015036779
Energy: 0.7266217092046392
Energy: 0.7529239505971058
Energy: 0.8684324472314042
Energy: 0.8137636945697628
Energy: 0.6334945902242733
Energy: 0.6872997037237277
Energy: 0.936628917305374
Energy: 0.7260087757486713
Energy: 0.7729928782970769
Energy: 0.9240125441890419
Energy: 0.43049224327124735
Energy: 0.6376267099952556
Energy: 0.9618398042878601
Energy: 0.9035103088283271
Energy: 1.047318952319072
Energy: 0.872492672125376
Energy: 0.8362265209252697
Energy: 0.9038495695951413
Energy: 0.8785811945453696
Energy: 0.8463979748488539
Energy: 1.0445813193527036
Energy: 0.9966440049076014
Energy: 0.532257589395066
Energy: 0.8617927285056362
Energy: 0.6934966094988197
Energy: 0.8163823262311448
Energy: 0.772732935768863
Energy: 0.6831482970405549
Energy: 0.5315867752588533
Energy: 0.6132461861131182
Energy: 0.655443477182833
Energy: 0.5358648363261302
Energy: 0.811299912355521
Energy: 0.9512548521260618
Energy: 0.9855387010772361
Energy: 0.7047910212706288
Energy: 0.9592524035165046
Energy: 0.7005952716260101
Energy: 0.8061587117160708
Energy: 0.7282338798663288
Energy: 0.8319265343168959
Energy: 0.6487942461355211
Energy: 0.714517563707213
Energy: 0.7331002243157446
Energy: 1.0888070492413118
Energy: 1.0137939195358368
Energy: 1.0272225751920707
Energy: 1.0231874230336673
Energy: 1.015248130010429
Energy: 1.0363439359540039
Energy: 1.284887662936099
Energy: 0.8216781514861581
Energy: 0.6976343747087383
Energy: 0.7050501835825025
Energy: 0.8231659897280486
Energy: 0.7051521097375693
Energy: 0.7721340453397804
Energy: 0.969752815608732
Energy: 0.8845707005198136
Energy: 0.7011491251483853
Energy: 0.9692794121299749
Energy: 0.8654956205919572

minimum gb energy = 0.43049224327124735 eV
minimum distance =  2.32355866627544 Angstroms
sigma value = 11


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

Energy: 1.8983083040620614
Energy: 1.2803258601096708
Energy: 1.245530631265121
Energy: 1.1249662353388072
Energy: 1.5003130492762096
Energy: 1.074754711195938
Energy: 1.2738517283465114
Energy: 0.8574946583184275
Energy: 0.8557666779201926
Energy: 0.9053388722867886
Energy: 0.7353258952274164
Energy: 0.8451828128063289
Energy: 1.3261787119848991
Energy: 0.39303957364489306
Energy: 0.8192060942761692
Energy: 1.076960798893333
Energy: 0.6195486584764078
Energy: 1.027194767586457
Energy: 1.0369358862991949
Energy: 0.7936170163680075
Energy: 0.8323908038394426
Energy: 0.6593689421829603
Energy: 0.5580406595325276
Energy: 0.5017539878485708
Energy: 1.048430521115826
Energy: 0.9204654417018875
Energy: 0.9409752954876327
Energy: 0.7209621795767509
Energy: 0.9131042421899743
Energy: 0.7170704582675085
Energy: 0.9875990415067197
Energy: 0.9381715063651819
Energy: 1.010560556554389
Energy: 0.7186691551102643
Energy: 0.9027769055751445
Energy: 0.9988375058890355
Energy: 1.2142390543049508
Energy: 0.9871033990235789
Energy: 1.0690267614372617
Energy: 0.9107645464232783
Energy: 1.0514855244801562
Energy: 1.081495986372591
Energy: 1.2127657982775681
Energy: 0.8546677768851921
Energy: 0.7380274794374425
Energy: 0.9095615328508883
Energy: 0.7094286497430597
Energy: 0.8738355269832004
Energy: 1.0065359633874889
Energy: 0.6153088240152935
Energy: 0.8136057145102511
Energy: 0.6445958572094682
Energy: 0.629472319481068
Energy: 0.6795636511739521
Energy: 0.9971219223053466
Energy: 0.9046666112753289
Energy: 0.8920311062889906
Energy: 0.6994564796925393
Energy: 0.8795158760577019
Energy: 0.9240784809245403
Energy: 1.1018883403168036
Energy: 0.8049508243731557
Energy: 0.7057903562145055
Energy: 0.8298384720584664
Energy: 0.6530649827373922
Energy: 0.7930688346894983
Energy: 0.2919832027083997
Energy: 1.1199945535326459
Energy: 1.1662242289490856
Energy: 0.6215392882919196
Energy: 0.9902038916029516
Energy: 1.1788738360395865
Energy: 1.0476314908316564
Energy: 0.6226492624832332
Energy: 0.8749727758681861
Energy: 0.772334269595925
Energy: 0.8392529641778184
Energy: 0.9272646710246213
Energy: 0.44574814004854046
Energy: 1.179022547921091
Energy: 1.1516308412396667
Energy: 0.7599077331963807
Energy: 1.1517806396984043
Energy: 1.0921055778170943
Energy: 1.1011062960043987
Energy: 0.716085474896854
Energy: 0.6091274872534207
Energy: 0.7840829475514117
Energy: 0.7880571099075763
Energy: 0.8382645292139169
Energy: 1.1627859004154515
Energy: 0.8252654530181476
Energy: 0.8864966109020649
Energy: 0.7698841862112766
Energy: 0.8084156563965128
Energy: 0.966427916134153
Energy: 1.0601299963630775
Energy: 0.7244155762740978
Energy: 0.9754052436402727
Energy: 0.9240664986127399
Energy: 0.7717648638720733
Energy: 0.8033422705734571
Energy: 0.6311400075467025
Energy: 1.0327973802790809
Energy: 1.1411347764328785
Energy: 0.8733881518769091
Energy: 1.0961927169971704
Energy: 1.0261099515268592
Energy: 1.1880420676784866
Energy: 0.860934402586091
Energy: 0.7222002111629001
Energy: 0.989165250118747
Energy: 0.9508537317062339
Energy: 0.6813659227151802
Energy: 1.0525086834943003
Energy: 0.5942811715397087
Energy: 0.9139867380844675
Energy: 0.681290923447392
Energy: 0.6654981964025116
Energy: 0.5261672435010646
Energy: 1.1975052715706656
Energy: 0.5671229089257701
Energy: 0.7974773898233145
Energy: 0.8994165430660332
Energy: 0.4621048344247516
Energy: 0.7575775955230234
Energy: 1.0797788119821607
Energy: 0.9211954563302287
Energy: 0.9797926924557552
Energy: 0.5784109998611806
Energy: 0.9480178346979033
Energy: 0.9440353081923241
Energy: 0.4416451939341579
Energy: 0.5522220095231857
Energy: 0.7949655058159791
Energy: 0.5489064893649592
Energy: 0.6366985235124848
Energy: 0.8649657679022947
Energy: 1.2548255327262234
Energy: 0.8803924580621123
Energy: 0.8880074568646681
Energy: 0.9179494221282897
Energy: 0.9496315596301192
Energy: 0.7869854001272747
Energy: 1.2494121148281336
Energy: 0.976637472770355
Energy: 1.0188903288757152
Energy: 1.0031349570817574
Energy: 0.8825944029318602
Energy: 0.9652982237151838
Energy: 1.0356632230729805
Energy: 0.8587873713047466
Energy: 0.8154338245320154
Energy: 0.777341873739152
Energy: 0.8897473139073989
Energy: 0.8589417334721905
Energy: 0.9869452437628122
Energy: 0.905077489450477
Energy: 0.9563078034434852
Energy: 0.7982433443072963
Energy: 0.8714179718746663
Energy: 0.9639325392083399
Energy: 0.9885279463842845
Energy: 0.868471239115487
Energy: 0.8589792587238141
Energy: 0.7481843237970764
Energy: 0.8103723641997695
Energy: 0.8329899862525181
Energy: 1.2953382307194274
Energy: 0.9315865359933778
Energy: 1.0483645529504313
Energy: 1.1367839039302803
Energy: 0.7604685425036691
Energy: 0.9850923299824731
Energy: 1.3957420592879488
Energy: 0.8357546153870603
Energy: 0.9386744422420725
Energy: 0.8161155629451085
Energy: 0.854107432168445
Energy: 0.9027315031586786
Energy: 1.0851773984336612
Energy: 0.5563725542323064
Energy: 1.202411854291699
Energy: 0.8402000287958048
Energy: 0.4377884403647835
Energy: 0.952708486088085

minimum gb energy = 0.2919832027083997 eV
minimum distance =  2.28877840069387 Angstroms
sigma value = 57


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

Energy: 1.777189662889746
Energy: 1.2677021530785626
Energy: 1.2675869533138457
Energy: 1.2028416173698462
Energy: 1.5834393138350387
Energy: 1.27312113428119
Energy: 1.1208757149687645
Energy: 1.1435192714047384
Energy: 0.9634444776885636
Energy: 0.8111438196553244
Energy: 1.1135352298507222
Energy: 1.0275415812758166
Energy: 1.301836645987689
Energy: 1.0863618319959067
Energy: 1.0951122193900455
Energy: 1.1098468169763052
Energy: 1.0881628568981254
Energy: 1.1123885802022417
Energy: 1.1253122440960528
Energy: 0.9478449963021304
Energy: 0.9873525521251795
Energy: 0.742031473770065
Energy: 0.9349062996066632
Energy: 0.8771452181772545
Energy: 1.1220008970416684
Energy: 1.1431571052424814
Energy: 1.1381055609404882
Energy: 0.9227109419403685
Energy: 1.113949169064401
Energy: 0.9651776237443205
Energy: 1.124755498341864
Energy: 1.11141471276723
Energy: 1.1050907880080374
Energy: 0.9379320887636369
Energy: 1.144640336336006
Energy: 1.0871425298985207
Energy: 1.3304379471240901
Energy: 0.9991214432440819
Energy: 0.9527953798414354
Energy: 1.127403268088818
Energy: 1.1487255348936407
Energy: 1.1167969574444128
Energy: 1.3741170220189856
Energy: 0.9794660071124351
Energy: 0.9801393702328579
Energy: 1.010659158983819
Energy: 1.0531322310794569
Energy: 1.0362220374580864
Energy: 1.0994879003962665
Energy: 1.0036544377195156
Energy: 1.1084711253898512
Energy: 0.966873038998437
Energy: 0.8118192384758274
Energy: 0.9509268812078483
Energy: 1.098276999290945
Energy: 1.068884537034546
Energy: 1.108174526252253
Energy: 1.009628458788152
Energy: 1.0633608285378766
Energy: 0.951242392004533
Energy: 1.2856783698132148
Energy: 0.9918848999344361
Energy: 0.9945790633497859
Energy: 0.8039609559983248
Energy: 0.9977825965834355
Energy: 1.022878887605208
Energy: 1.204294669738313
Energy: 1.069250952621268
Energy: 1.1903205533257055
Energy: 1.112299796947228
Energy: 1.0645967844651534
Energy: 1.0523451665985768
Energy: 1.1232575386251786
Energy: 1.1021943396467626
Energy: 0.9941852592505045
Energy: 0.8629560866743116
Energy: 1.1132437207750634
Energy: 0.9163910830429008
Energy: 1.1225099392754816
Energy: 1.1933730818281267
Energy: 1.1966586545050286
Energy: 0.8561215893463889
Energy: 1.1516168118591785
Energy: 1.1940988423792684
Energy: 1.128062867713739
Energy: 0.9799601357787097
Energy: 0.9610682902686413
Energy: 0.8395144588487746
Energy: 0.9600022961166105
Energy: 0.8264334839168899
Energy: 1.3557475967597208
Energy: 0.9789725637734354
Energy: 1.0864120269628352
Energy: 1.154530466124485
Energy: 0.9734173175582768
Energy: 1.1715845786494627
Energy: 1.109605043752801
Energy: 0.9160682166765308
Energy: 0.8267919240110193
Energy: 0.9760243324763972
Energy: 1.0085511074100741
Energy: 1.018783728702435

minimum gb energy = 0.742031473770065 eV
minimum distance =  2.30458438400909 Angstroms
sigma value = 9


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

Energy: 1.8694140019554681
Energy: 1.7077040631921439
Energy: 1.4842399158194597
Energy: 1.5217300989803535
Energy: 1.8594432806889996
Energy: 1.4989252796586103
Energy: 1.4147070327147977
Energy: 0.9787847109288081
Energy: 1.0545407627579033
Energy: 1.0471464398078982
Energy: 0.9197884277265111
Energy: 1.0182670525681679
Energy: 1.48899031218596
Energy: 0.9530988748104775
Energy: 1.0558510027451602
Energy: 0.9845314348623991
Energy: 0.9775425588462544
Energy: 1.0064687176449294
Energy: 1.1750651025241485
Energy: 0.9328656045548518
Energy: 0.8852242747020316
Energy: 0.7950830098282194
Energy: 0.9329903230970185
Energy: 0.8619821011964357
Energy: 1.3562596892886571
Energy: 0.9238868035283693
Energy: 1.0498899856589587
Energy: 0.8645481019597405
Energy: 1.0371224427912047
Energy: 0.8494669910688178
Energy: 1.222753669678212
Energy: 0.8309955266105694
Energy: 0.9044831449385954
Energy: 0.8435246789112706
Energy: 0.8894851124171212
Energy: 0.9326785439202302
Energy: 1.4370512082394302
Energy: 1.1398680433288573
Energy: 1.3498591380523428
Energy: 0.9529459492520593
Energy: 1.109193285593907
Energy: 1.2056781969113308
Energy: 1.3571675219243986
Energy: 0.8972008960977682
Energy: 0.9710809057205343
Energy: 0.9491955156052595
Energy: 0.8976581189613186
Energy: 0.9739460061368277
Energy: 1.4071457223665533
Energy: 1.0099955807068006
Energy: 1.0017067303889795
Energy: 0.986377207784528
Energy: 0.9800871423162492
Energy: 1.037398782953522
Energy: 1.3165895711430249
Energy: 0.8377830965789826
Energy: 0.8688774118039085
Energy: 0.8855481635664073
Energy: 0.7743649237980453
Energy: 0.9576922431046131
Energy: 1.397943571143822
Energy: 0.9098299880537433
Energy: 1.0125471645526878
Energy: 1.0068605310062562
Energy: 0.9137336153856743
Energy: 0.9527256048538962
Energy: 1.4068068982094373
Energy: 0.8919152377637092
Energy: 0.8524648042757449
Energy: 1.0595403194976492
Energy: 0.9369607155508745
Energy: 0.9601376834943555
Energy: 1.4517138201129107
Energy: 0.8713613022797149
Energy: 1.0075097600314127
Energy: 1.0726594388005435
Energy: 0.9681085536633786
Energy: 0.9882199984509308
Energy: 1.2702634657744118
Energy: 0.9716154050904063
Energy: 0.9970343900581661
Energy: 0.9549292723085265
Energy: 0.9802123083018099
Energy: 0.9135144441592145
Energy: 1.3617910609779453
Energy: 0.9760975002213502
Energy: 1.0127421475679852
Energy: 0.802639650976922
Energy: 0.9340487746688055
Energy: 1.0228761564654203
Energy: 1.377185269120745
Energy: 1.0932073983111044
Energy: 1.087788307086571
Energy: 0.6686993199381156
Energy: 1.0869863556526393
Energy: 1.0858568762102612
Energy: 1.232160297805692
Energy: 0.9069712458533952
Energy: 0.9052365407989396
Energy: 0.9542747109538974
Energy: 1.01397030910874
Energy: 0.91909799409092
Energy: 1.4278361046433001
Energy: 0.9830355790460726
Energy: 0.9573600611168314
Energy: 1.067620433525657
Energy: 0.9763291915222266
Energy: 1.0107740354592394
Energy: 1.2737383156919284
Energy: 0.9144929341494786
Energy: 0.8902304385872436
Energy: 0.9431825541528545
Energy: 0.9308135839202557
Energy: 0.9417513777142894
Energy: 1.507954850950684
Energy: 0.9767876307965536
Energy: 0.9630841115434292
Energy: 1.0440639750253329
Energy: 0.9208246524878108
Energy: 0.9727281961415912
Energy: 1.2817745836098704
Energy: 0.8921064508432587
Energy: 0.9560441597635743
Energy: 0.900380318490206
Energy: 0.7860669837058099
Energy: 0.996122133201557

minimum gb energy = 0.6686993199381156 eV
minimum distance =  2.26910838543527 Angstroms
sigma value = 27


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

Energy: 1.4393612548890953
Energy: 1.084536670016088
Energy: 1.0546411097862542
Energy: 1.1951884884561892
Energy: 1.5284842024269847
Energy: 1.0520383871470436
Energy: 1.2854986357397724
Energy: 1.0848833379259102
Energy: 1.1638239986707246
Energy: 0.9486307024499756
Energy: 1.1701762251591785
Energy: 0.9149542509731342
Energy: 1.395112106228868
Energy: 0.8991808801398561
Energy: 0.9012594826898817
Energy: 1.045619756327442
Energy: 1.1196850942560699
Energy: 1.0617526559834902
Energy: 1.3601531605022865
Energy: 0.975546570413076
Energy: 1.0036176097365335
Energy: 0.915832174261765
Energy: 0.9782233478597011
Energy: 1.0050609701620843
Energy: 1.1486693388964155
Energy: 1.0844327528437363
Energy: 0.9806522565397114
Energy: 0.9248744756899241
Energy: 1.0897091250813689
Energy: 1.0400277816836543
Energy: 1.330987996361175
Energy: 0.9146703546027011
Energy: 0.908252859818801
Energy: 0.9668128312214103
Energy: 0.8970433498482574
Energy: 0.918299179220383
Energy: 1.4335063757509574
Energy: 0.9126098488443904
Energy: 1.023687512031009
Energy: 1.0037387660900043
Energy: 1.0950824884838997
Energy: 1.0705493740859002
Energy: 1.5117048288004304
Energy: 0.903165272341663
Energy: 0.8849544391236663
Energy: 1.169236161223246
Energy: 1.0101724782026347
Energy: 1.221877003295565
Energy: 0.7020138576751865
Energy: 1.0621109897876382
Energy: 0.9505795068650758
Energy: 0.9938081527209827
Energy: 1.0765622813566504
Energy: 1.0039407210114861
Energy: 1.388318667617418
Energy: 0.9127590453561566
Energy: 0.9984483722257445
Energy: 1.0363518812671972
Energy: 0.9136349914375163
Energy: 0.9774658453629625
Energy: 1.5124294550183504
Energy: 0.8606540793934163
Energy: 1.039243125242008
Energy: 1.0643320169286543
Energy: 0.9036657497442147
Energy: 1.0867224172573013
Energy: 1.469744760193638
Energy: 0.925492680884148
Energy: 0.9135031309631122
Energy: 0.9960278441685297
Energy: 0.8945193536276577
Energy: 0.961329940420059
Energy: 1.439289734016349
Energy: 1.0175574558325167
Energy: 0.9957383214406788
Energy: 1.0943380029090026
Energy: 1.0184297214862705
Energy: 0.9938125060631452
Energy: 1.1859067580105065
Energy: 1.0589711306719247
Energy: 1.0867491608116506
Energy: 0.938414382937901
Energy: 1.0932069932950161
Energy: 0.881315926921411
Energy: 1.395403462256574
Energy: 0.9710248975041573
Energy: 1.0041410028817834
Energy: 1.0568085899127009
Energy: 0.9793801367969117
Energy: 1.0045082054462544
Energy: 1.3601086493376584
Energy: 0.9802938515041397
Energy: 0.976625795350156
Energy: 1.0396390237834472
Energy: 0.9642568723487435
Energy: 0.9101519736668884
Energy: 1.186467359421158
Energy: 1.1799084693020851
Energy: 1.2011519565016182
Energy: 1.009152831185778
Energy: 1.1789927406444136
Energy: 0.8581338627277904
Energy: 1.3202369203149007
Energy: 1.0175183792598563
Energy: 0.9634416829688304
Energy: 0.9802418820702834
Energy: 1.0143905240773166
Energy: 0.9638433871953369
Energy: 1.4291568261288379
Energy: 0.9665518442188467
Energy: 0.9387586438806114
Energy: 0.9523786796757268
Energy: 0.968148919177544
Energy: 0.9400215459489861
Energy: 1.523675420224963
Energy: 0.9668653960264032
Energy: 0.9389759173979718
Energy: 1.1257972663517681
Energy: 0.9686103353483676
Energy: 0.9396245972574006
Energy: 1.3950897267401385
Energy: 1.00388306982005
Energy: 1.110136461969685
Energy: 0.9768375419946693
Energy: 1.053120181924039
Energy: 1.0054830788750104
Energy: 1.3134684055244867
Energy: 0.952252641464659
Energy: 0.9098814048560784
Energy: 1.1166591611147612
Energy: 0.9536258638478355
Energy: 0.9740184510324372
Energy: 1.515561780665076
Energy: 0.8615717646434458
Energy: 0.8817199932943739
Energy: 1.0574155544064283
Energy: 0.8724830239261347
Energy: 1.0239203822623015
Energy: 1.4452061524378457
Energy: 0.9998574538730068
Energy: 0.9635717459497658
Energy: 1.0138225468683946
Energy: 0.9799375349406165
Energy: 0.9666026247208798
Energy: 1.1862077571878356
Energy: 1.1293806077572783
Energy: 0.9751566776319448
Energy: 0.9387669420493899
Energy: 0.9458065306972572
Energy: 0.8827216448071066

minimum gb energy = 0.7020138576751865 eV
minimum distance =  2.28766860315605 Angstroms
sigma value = 19


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

Energy: 2.251984518135872
Energy: 1.8571935252843197
Energy: 1.3598058309846912
Energy: 1.3355383625303787
Energy: 0.6955497505651088
Energy: 1.6537018267130543
Energy: 1.46199130401195
Energy: 0.7641886446609972
Energy: 0.80699770343377
Energy: 0.972075517990393
Energy: 0.8313723654137475
Energy: 0.8624040661610087
Energy: 1.3724167297421184
Energy: 0.9019762167013844
Energy: 0.944843155744148
Energy: 0.912083368915753
Energy: 0.8843097051475796
Energy: 0.8157645367445535
Energy: 1.165621400739772
Energy: 0.7826238872113933
Energy: 0.7941359425261361
Energy: 0.7159322091183163
Energy: 0.7556425263932885
Energy: 0.842701812720563
Energy: 1.301271706357831
Energy: 0.8340398238766644
Energy: 0.8451438533401665
Energy: 0.9300403686354473
Energy: 1.005685187982205
Energy: 0.9421374902302153
Energy: 0.6939304473060451
Energy: 0.9255194094744459
Energy: 0.9731400669750769
Energy: 0.8573100131947662
Energy: 0.9801992957939568
Energy: 0.8979473191878825
Energy: 0.682965719701686
Energy: 1.2060765120918113
Energy: 1.2170114936036351
Energy: 0.7156215512832746
Energy: 0.9342592430957484
Energy: 1.3597425423963692
Energy: 0.6670051455707345
Energy: 0.9679963483113359
Energy: 0.8887685482777908
Energy: 0.6733537116713698
Energy: 0.9770472244887404
Energy: 0.9139770473229284
Energy: 1.2544486702128088
Energy: 0.938957417384319
Energy: 0.9392865487364376
Energy: 0.835863109537647
Energy: 0.9165591607353222
Energy: 0.8715819585887078
Energy: 1.158555452727095
Energy: 0.8044949782868617
Energy: 0.7972381943093081
Energy: 0.707003500392872
Energy: 0.7349672191445122
Energy: 0.7600727647352447
Energy: 1.4209811851213439
Energy: 1.0709007083877509
Energy: 1.0303987085714092
Energy: 0.227146514911956
Energy: 0.9208632357642353
Energy: 1.0398054283989475
Energy: 1.4192348586626327
Energy: 0.9044518920808015
Energy: 0.8848747369823731
Energy: 0.9551208333861501
Energy: 0.8828112033517579
Energy: 0.9168190256101253
Energy: 1.4056581580672975
Energy: 0.7900859759134298
Energy: 0.8705809090758794
Energy: 0.950826092068023
Energy: 0.8830399645249852
Energy: 0.9239579770855997
Energy: 0.9213970289962967
Energy: 0.8457912291947045
Energy: 0.825636897175487
Energy: 0.9209583769665077
Energy: 0.7155340577660106
Energy: 0.8321750659461125
Energy: 1.4425825911545442
Energy: 0.8841945539455077
Energy: 0.822025652946671
Energy: 0.9388190866528532
Energy: 0.7993596943702539
Energy: 0.8671959012281721
Energy: 1.3877806118464737
Energy: 0.8381952913596273
Energy: 0.9011121283326876
Energy: 0.8743560065845873
Energy: 0.8867891336433891
Energy: 0.7103386644245329
Energy: 1.3425216172785548
Energy: 0.8955604319536851
Energy: 0.901400971144373
Energy: 0.9935136977266605
Energy: 0.8829612646382511
Energy: 0.9230557838519543
Energy: 1.297404136418959
Energy: 0.9109799257013844
Energy: 0.9546161979925445
Energy: 0.9697287845480365
Energy: 0.9234736528468738
Energy: 0.952001455242978
Energy: 1.3313002314374391
Energy: 0.8609381159338053
Energy: 0.9004112478899591
Energy: 0.8963269120392243
Energy: 0.8855582778665454
Energy: 0.8738948285880864
Energy: 1.2410893375557648
Energy: 0.8727920315487605
Energy: 0.9082199483280801
Energy: 0.8001771259856751
Energy: 0.8356960687462772
Energy: 0.9434516565661211
Energy: 1.2093709838968199
Energy: 0.8580614917865065
Energy: 0.7693319682253283
Energy: 0.8002555116855462
Energy: 0.8193985276142937
Energy: 0.7697200410945679
Energy: 1.1471711624899896
Energy: 1.0025242439230466
Energy: 0.8615795514301936
Energy: 0.82403962821156
Energy: 0.9551955422718951
Energy: 0.8827412448606137
Energy: 0.7630825872862941
Energy: 0.8565368212956885
Energy: 0.8558826606523655
Energy: 0.7950404970961219
Energy: 0.9718114218821966
Energy: 0.9576240239670806
Energy: 1.2625638853448589
Energy: 0.9106888656133484
Energy: 0.9551361204512366
Energy: 0.7655090425676365
Energy: 0.7722990178102728
Energy: 0.9469631184153916
Energy: 1.2628538971390681
Energy: 0.9102648487340349
Energy: 0.9708009087220669
Energy: 0.8782846771659748
Energy: 0.9447429536380324
Energy: 0.9925300742300325
Energy: 1.3081111684133369
Energy: 0.9028011227304505
Energy: 0.8673912049620965
Energy: 0.9771161083890715
Energy: 0.8376253158934903
Energy: 0.8945251324606757
Energy: 1.2931969168848674
Energy: 0.9140973042122604
Energy: 0.8729313781239261
Energy: 0.8019775047741147
Energy: 0.9760826909769366
Energy: 0.7530553813278992
Energy: 1.5530132708005242
Energy: 0.8081342902300602
Energy: 0.8630278154922584
Energy: 0.9376373012637588
Energy: 0.7812905153500221
Energy: 0.8103134353018034
Energy: 1.374735498705696
Energy: 0.6254891015136854
Energy: 0.8137152088772275
Energy: 1.0454894006566224
Energy: 0.7423682574949526
Energy: 0.9666659805031051

minimum gb energy = 0.227146514911956 eV
minimum distance =  2.25316186667542 Angstroms
sigma value = 101


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

Energy: 2.069229405225977
Energy: 1.6409100619938335
Energy: 1.7064787783079776
Energy: 1.3579495346339077
Energy: 1.9739054524799275
Energy: 1.3447778207651604
Energy: 1.3195504198595593
Energy: 0.9854344920731487
Energy: 0.8136186719588604
Energy: 0.9499506463009872
Energy: 0.8382939623643143
Energy: 0.8491035769693375
Energy: 1.3752770148547977
Energy: 0.8257816590638047
Energy: 0.9995322146761183
Energy: 0.9585298746166816
Energy: 0.8249085614094546
Energy: 0.9173637373016036
Energy: 1.1753373270532894
Energy: 0.816747847412879
Energy: 0.8272089919343194
Energy: 0.8006266974481444
Energy: 0.8374007906192985
Energy: 0.8313962022320215
Energy: 1.2947362584471787
Energy: 0.6765956039948186
Energy: 0.8717109454172853
Energy: 0.9580121463707147
Energy: 0.8315268426458315
Energy: 0.8789511574288568
Energy: 1.172669889323896
Energy: 0.9544008297501467
Energy: 0.8754256870154454
Energy: 0.9104235359625512
Energy: 0.9619162752930616
Energy: 0.8645169529996563
Energy: 1.1937373322449945
Energy: 0.906164357926704
Energy: 1.0362019521561658
Energy: 0.789055745056317
Energy: 0.8462667619638635
Energy: 0.9230218962836868
Energy: 0.6677914995077842
Energy: 0.9166130805677263
Energy: 0.9328551411172789
Energy: 0.7113407641005651
Energy: 0.9473661926482494
Energy: 0.8075336591537385
Energy: 1.1713488994259051
Energy: 0.8852526166567518
Energy: 0.8763201546204814
Energy: 0.8036573241545303
Energy: 0.8790045428028163
Energy: 0.793933853265479
Energy: 1.103610650221964
Energy: 0.852818600181764
Energy: 0.8126990160741261
Energy: 0.7592577172592214
Energy: 0.8788031523025536
Energy: 0.8223223232719429
Energy: 1.5395193447908848
Energy: 1.1831455959952093
Energy: 1.1443009798968526
Energy: 1.1504039966372674
Energy: 1.0025401802730503
Energy: 1.1141093746550639
Energy: 1.2762046616921348
Energy: 0.9007856346423274
Energy: 0.943180131219403
Energy: 0.9744021073837283
Energy: 0.9443410453289175
Energy: 0.9937805576773849
Energy: 1.2588681579201186
Energy: 0.9150194548358653
Energy: 0.8760913191846922
Energy: 0.8607150538292391
Energy: 0.8481899063071014
Energy: 0.8621109085225479
Energy: 1.223011529616058
Energy: 0.8519045460508066
Energy: 0.776928436001761
Energy: 0.8080817247005332
Energy: 0.786473173340494
Energy: 0.9168037334113796
Energy: 1.3509371105993282
Energy: 0.9475892902336142
Energy: 0.9405229509207824
Energy: 0.8164449976841617
Energy: 0.912379973709611
Energy: 0.9509608414793145
Energy: 1.5275721071189954
Energy: 0.7819905148547046
Energy: 0.7348709291854824
Energy: 0.8778938185472975
Energy: 0.7961191256478898
Energy: 0.9001394328396833
Energy: 1.3218230937045632
Energy: 0.8979464053598248
Energy: 0.8986187153085498
Energy: 0.785892807868749
Energy: 0.8103669325698595
Energy: 0.819111781659906
Energy: 1.3230125552444976
Energy: 0.9775738062836513
Energy: 0.9991401543246111
Energy: 0.8141941792377753
Energy: 0.906206904713092
Energy: 1.0132570506985996
Energy: 1.3252075745422234
Energy: 0.8487908654865916
Energy: 0.8743305946174807
Energy: 0.8650024337294162
Energy: 0.7781220823167231
Energy: 0.8662162057516111
Energy: 1.2493486946864552
Energy: 0.7829665450697976
Energy: 0.8006387232501413
Energy: 0.8939307908849483
Energy: 0.8360238495337637
Energy: 0.7971902578110096
Energy: 1.182930637436254
Energy: 0.8403977660034083
Energy: 0.8094888359436366
Energy: 0.9384975460897991
Energy: 0.8229847909382884
Energy: 0.8994174431723702
Energy: 1.217763472899222
Energy: 0.8953940274361801
Energy: 0.9191544283350671
Energy: 0.8441098964163918
Energy: 0.9595476220797756
Energy: 0.8628208341745833
Energy: 1.1801804665876303
Energy: 0.87674284553995
Energy: 0.8879331820955613
Energy: 0.7805803020575699
Energy: 0.8744175270255297
Energy: 0.9787557345788535
Energy: 1.1563094599698853
Energy: 0.8477331213015943
Energy: 0.8916989695708963
Energy: 0.7390898280370937
Energy: 0.9644715153292736
Energy: 0.8172691942134899
Energy: 1.171681230319665
Energy: 0.8713394768046486
Energy: 0.852959962749873
Energy: 0.8361459937213064
Energy: 0.7162263506160488
Energy: 0.8576477880422596
Energy: 1.1234434009541345
Energy: 0.7581296445186286
Energy: 0.8157712270433692
Energy: 0.8515388817166258
Energy: 0.8798269429047996
Energy: 0.8169705284744279
Energy: 1.2473270139373536
Energy: 0.802847280052799
Energy: 0.8233501678068376
Energy: 0.9309572618537906
Energy: 0.8034127557820934
Energy: 0.8253782251529826
Energy: 1.338257763230613
Energy: 0.8249319031051302
Energy: 0.8764611667779765
Energy: 0.7680224729582747
Energy: 0.9070084883504155
Energy: 0.9937353828191451
Energy: 1.2576422445709359
Energy: 0.8378116406784365
Energy: 0.9410940779684402
Energy: 0.8616220992849589
Energy: 0.8928465160955835
Energy: 0.9559102307558529
Energy: 1.2575668928036452
Energy: 0.7970656417412116
Energy: 0.8648264959974777
Energy: 0.8494871723411282
Energy: 0.8775356057704088
Energy: 0.8416859275922599
Energy: 1.3541057052454533
Energy: 0.8545853243911753
Energy: 0.8613616864043782
Energy: 0.8369304162480785
Energy: 0.8145239180552104
Energy: 0.8320712058851
Energy: 0.9692939228056981
Energy: 0.8010408274181464
Energy: 0.8199399538426969
Energy: 0.9009516439998965
Energy: 0.8347044162545311
Energy: 0.912421669826912
Energy: 1.3288459522763247
Energy: 0.8733019082566671
Energy: 0.942372340527229
Energy: 0.8736397543029366
Energy: 0.8017040530077439
Energy: 0.94638621883407

minimum gb energy = 0.6677914995077842 eV
minimum distance =  2.27769810581408 Angstroms
sigma value = 33


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

Energy: 0.0186207890461635
Energy: 0.02549819608407227
Energy: 0.03214265433601282
Energy: 0.020637154730672645
Energy: -0.6845913792090907
Energy: 0.03454651296482265
Energy: 0.01933390214569525
Energy: 0.08957282363241892
Energy: 0.0528641778842174
Energy: 0.0988799927488882
Energy: 0.09169825809042657
Energy: 0.05654179165594241
Energy: 1.7502489244331385
Energy: 1.103021121771313
Energy: 1.1374109916472532
Energy: 1.2000876891664045
Energy: 1.108408440257334
Energy: 1.1356761781392222
Energy: 0.5497308909483205
Energy: 0.0895728236328631
Energy: 0.05286417691220389
Energy: 0.0988799927488882
Energy: 0.09169825809042657
Energy: 0.05654179165594241

minimum gb energy = -0.6845913792090907 eV
minimum distance =  2.37921325812039 Angstroms
sigma value = 1