Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664999604225163
cohesive_energy=4.316339488656242
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=[3.71738624797314e-25, 1.0098695563531739e-19, 2.0339311933303198e-19, 2.8320074182584e-19, 3.4680715419563997e-19, 3.9942263485619994e-19, 4.44084910705584e-19, 4.8259162392714e-19, 5.1578071290045e-19, 5.44768894739412e-19, 5.70257922809718e-19, 5.924833170765659e-19, 6.117062323312979e-19, 6.28200640778328e-19, 6.4222449285573e-19, 6.540309324716759e-19, 6.638602861212659e-19, 6.71911223707116e-19, 6.783631890122339e-19, 6.83371593170118e-19, 6.870758255479259e-19, 6.895944472165739e-19, 6.910380083638079e-19, 6.914994352343999e-19, 6.91001158301226e-19, 6.89358927251376e-19, 6.863228025299459e-19, 6.8160599451945e-19, 6.748736483033819e-19, 6.657332306064119e-19, 6.537265189112159e-19, 6.383135796921359e-19, 6.1885674664884e-19, 5.945885771736419e-19, 5.64643895884182e-19, 5.28127086042054e-19, 4.83974302362282e-19, 4.30894190477862e-19, 3.6731501511084e-19, 2.9107063345204797e-19, 1.9898873576616598e-19, 8.675834538409019e-20, -5.0077312436977196e-20, -2.18701917070902e-19, -4.3073717716772996e-19, -7.002761588354519e-19, -1.044590326188588e-18, -1.4863809199542838e-18, -2.0578516904759397e-18, -2.8102498595686797e-18, -3.86034846902496e-18, -5.41740780901152e-18, -7.87740583462146e-18, -1.2039235880866199e-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: 0.013237299212778728
Energy: 0.01404303831912072
Energy: 0.22625836115286715
Energy: 0.2262555107998262
Energy: 0.2262230234111253
Energy: 0.01345693342786126
Energy: 0.014043038318621949
Energy: 1.1586159063741692
Energy: 0.2262766909326535
Energy: 0.22612756321048313
Energy: 0.22619654871573586
Energy: 0.22616231660890396
Energy: 0.22625836115089978
Energy: 0.22627669093218247
Energy: 1.1580775442739983
Energy: 0.013622274855502834
Energy: 0.22615966587317113
Energy: 0.22659037786359587
Energy: 0.22625551079935513
Energy: 0.22612756321145297
Energy: 0.013622274856001605
Energy: 0.013372528332691463
Energy: 0.22661409312341754
Energy: 0.22616671105467093
Energy: 0.2262230234096567
Energy: 0.22619654871623462
Energy: 0.22615966587267236
Energy: 0.22661409312291877
Energy: 1.1579107313363544
Energy: 0.22619946918588762
Energy: 0.01345693342786126
Energy: 0.22616231660890396
Energy: 0.22659037786312483
Energy: 0.22616671105467093
Energy: 0.22619946918588762
Energy: 0.013512240406287516

minimum gb energy = 0.013237299212778728 eV
minimum distance =  2.48094889316155 Angstroms
sigma value = 1


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

Energy: 2.1579455552211773
Energy: 1.566789348546658
Energy: 1.455124716200663
Energy: 1.4551544270421055
Energy: 1.4958899679778812
Energy: 1.5665852974226013
Energy: 1.5100384616522637
Energy: 1.5869091409114808
Energy: 1.4960330941576236
Energy: 1.4636240153652709
Energy: 1.4836196358281164
Energy: 1.6315041660248368
Energy: 1.3748909094104629
Energy: 1.4821471732709082
Energy: 1.5843293530263598
Energy: 1.4344990866342169
Energy: 1.4820476112170529
Energy: 1.4831282149226255
Energy: 1.4344899535879896
Energy: 1.4773826217530623
Energy: 1.5752977673926873
Energy: 1.585550345586082
Energy: 1.4768942987543683
Energy: 1.4800998786257225
Energy: 1.3740329165645742
Energy: 1.4792042206260787
Energy: 1.4907996257107228
Energy: 1.3788684542989134
Energy: 1.5897721206350997
Energy: 1.4426758562463606
Energy: 1.4360104413469787
Energy: 1.5730513497696652
Energy: 1.5743139004035966
Energy: 1.4430140397662687
Energy: 1.5741341282017132
Energy: 1.5733020971822511
Energy: 1.4364252236259811
Energy: 1.5727371598235942
Energy: 1.5870369712724042
Energy: 1.5865441535082179
Energy: 1.5740554555098385
Energy: 1.5728740843743643
Energy: 1.3745538534110233
Energy: 1.374930737003208
Energy: 1.3622204809913523
Energy: 1.376325843550681
Energy: 1.5959882422988132
Energy: 1.3742450028542557
Energy: 1.3564672993591853
Energy: 1.5747299642256336
Energy: 1.5765066777363104
Energy: 1.442891903408489
Energy: 1.5766473932336504
Energy: 1.5866898640296696
Energy: 1.3562778865817307
Energy: 1.5733228514382636
Energy: 1.5741233154223995
Energy: 1.4456692056184068
Energy: 1.574420580605162
Energy: 1.5742042023550589
Energy: 1.4012112505531453
Energy: 1.4015905527914219
Energy: 1.4845284606199047
Energy: 1.3747149916506785
Energy: 1.483707312083206
Energy: 1.401134940400598
Energy: 1.4372386001116988
Energy: 1.477926375481327
Energy: 1.5604276261652534
Energy: 1.512006773726689
Energy: 1.478059846262345
Energy: 1.4358425271551025
Energy: 1.4440825332198235
Energy: 1.478136563434375
Energy: 1.5603485049639452
Energy: 1.512204361739126
Energy: 1.4780159708630753
Energy: 1.442628091575424
Energy: 1.3606454867475002
Energy: 1.484771119297078
Energy: 1.4777152280063974
Energy: 1.3601988251122112
Energy: 1.4837084713826818
Energy: 1.478638125430877
Energy: 1.433740837479531
Energy: 1.4767705523171812
Energy: 1.4769475491003452
Energy: 1.4432422357818315
Energy: 1.4768475789697157
Energy: 1.575964330356229
Energy: 1.4334244715133384
Energy: 1.479464490969248
Energy: 1.4818390868555706
Energy: 1.435913453821893
Energy: 1.481422124574657
Energy: 1.563168905216863
Energy: 1.376006437851016
Energy: 1.4837518607764175
Energy: 1.5153286890102755
Energy: 1.4037211569349897
Energy: 1.574814369571184
Energy: 1.4838959876475415
Energy: 1.4421804519612125
Energy: 1.576106139310724
Energy: 1.573774230655442
Energy: 1.573532928124674
Energy: 1.5744046338099715
Energy: 1.5907337604810543
Energy: 1.4416234032699922
Energy: 1.5743322582027872
Energy: 1.5901393986565138
Energy: 1.4373448023794184
Energy: 1.5758853273465097
Energy: 1.5923609975786486
Energy: 1.3748072377102303
Energy: 1.5750991838028785
Energy: 1.4023084245798723
Energy: 1.402521292311138
Energy: 1.5747556224806898
Energy: 1.5727849840094168
Energy: 1.443637702032153
Energy: 1.5745357134072577
Energy: 1.5731441246239695
Energy: 1.5739025694051754
Energy: 1.574068864084258
Energy: 1.5740209048464944
Energy: 1.3759777377551607
Energy: 1.5763900956590173
Energy: 1.57547982351452
Energy: 1.359081623260822
Energy: 1.5762945207614705
Energy: 1.4827696115681461
Energy: 1.5096598877022287
Energy: 1.5869211173632924
Energy: 1.4562786884751755
Energy: 1.4429061363629128
Energy: 1.4836438276817996
Energy: 1.6304151000197964

minimum gb energy = 1.3562778865817307 eV
minimum distance =  2.24633138706116 Angstroms
sigma value = 33


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

Energy: 2.858730081762799
Energy: 1.5481681968615835
Energy: 1.5461594515193158
Energy: 1.4900011653938832
Energy: 1.5364255763622232
Energy: 1.648119391955305
Energy: 1.6452194471389203
Energy: 1.8616420270799618
Energy: 1.5085887685295478
Energy: 1.4936783117980268
Energy: 1.5089524652760808
Energy: 1.6226581686833785
Energy: 1.5749349377840232
Energy: 1.6226315538653278
Energy: 1.6230363210951824
Energy: 1.4738362046289006
Energy: 1.6228263201172726
Energy: 1.6257898305045397
Energy: 1.5734794741883236
Energy: 1.613881469905178
Energy: 1.6224602250316318
Energy: 1.6840179673720985
Energy: 1.622314456769623
Energy: 1.5734009122802037
Energy: 1.5719657520995347
Energy: 1.5804248315465446
Energy: 1.5575632421350494
Energy: 1.696646949094267
Energy: 1.6583448521734219
Energy: 1.5747493164734447
Energy: 1.4940436034693771
Energy: 1.694969550205414
Energy: 1.6725423073269126
Energy: 1.4942993218599419
Energy: 1.6733359666586296
Energy: 1.6949553298705158
Energy: 1.4950891737653011
Energy: 1.6945963042601835
Energy: 1.671682659420735
Energy: 1.7501510966299625
Energy: 1.6728676382705558
Energy: 1.6942231442630655
Energy: 1.4953509273595484
Energy: 1.5038965792472583
Energy: 1.4933209001944234
Energy: 1.5776841158134614
Energy: 1.674732007591368
Energy: 1.5033870004967271
Energy: 1.5731322679815665
Energy: 1.6181495797793737
Energy: 1.5931455147603344
Energy: 1.5739287962090571
Energy: 1.6185285234061342
Energy: 1.683507064422233
Energy: 1.438019179122053
Energy: 1.6179738764654283
Energy: 1.6105941458704267
Energy: 1.596565417830674
Energy: 1.617757277329592
Energy: 1.6363555194286286
Energy: 1.54482252075466
Energy: 1.549236412821249
Energy: 1.6201433446042715
Energy: 1.6546052148614858
Energy: 1.619770966660333
Energy: 1.5022043851143443
Energy: 1.49496544351206
Energy: 1.5024531613189938
Energy: 1.5035574084990706
Energy: 1.47175514754529
Energy: 1.5028614365527144
Energy: 1.4981216950571867
Energy: 1.4717788798790958
Energy: 1.4801463985581063
Energy: 1.503784492505892
Energy: 1.4718662040553285
Energy: 1.503121820948409
Energy: 1.4802513821265808
Energy: 1.4952297137703268
Energy: 1.5530357046561916
Energy: 1.6200306439086714
Energy: 1.6535616026357587
Energy: 1.6200712836411142
Energy: 1.49604845481847
Energy: 1.4564756768139981
Energy: 1.6630400885681085
Energy: 1.671637640481061
Energy: 1.5967336782256585
Energy: 1.6644765729166364
Energy: 1.6960139416604483
Energy: 1.5102913984563089
Energy: 1.663461792123806
Energy: 1.6748228387525848
Energy: 1.597000166577305
Energy: 1.6665580110435503
Energy: 1.7405717012207218
Energy: 1.5186870873259728
Energy: 1.5630217570498337
Energy: 1.5704282000792251
Energy: 1.5485653282500078
Energy: 1.6738397399597174
Energy: 1.563037604857662
Energy: 1.4396015529677284
Energy: 1.6508927915920872
Energy: 1.6585777142719946
Energy: 1.713715465460243
Energy: 1.6519449017087475
Energy: 1.663172195231984
Energy: 1.4378115149443296
Energy: 1.6509360048438528
Energy: 1.6519280663016715
Energy: 1.5492214724113202
Energy: 1.6520490667939707
Energy: 1.6510317769439729
Energy: 1.509222516852725
Energy: 1.5159283632964642
Energy: 1.5692080908303767
Energy: 1.4902787694717352
Energy: 1.9423880379339284
Energy: 1.5171971351659908
Energy: 1.5082671761788204
Energy: 1.569833710487894
Energy: 1.570940374729259
Energy: 1.655210745274937
Energy: 1.5702900940037263
Energy: 1.5086265702683304
Energy: 1.5381217621406276
Energy: 1.570244656284544
Energy: 1.5712185252814674
Energy: 1.4915414910287002
Energy: 1.5703112239927854
Energy: 1.555673586729895
Energy: 1.742672154260407
Energy: 1.8563657208753008
Energy: 1.5706684662673907
Energy: 1.4938814970780974
Energy: 1.606168333070174
Energy: 1.6276873825890346
Energy: 1.5105429509776271
Energy: 1.6075455920813124
Energy: 1.6272851247262896
Energy: 1.4915155621959277
Energy: 1.6060109998976422
Energy: 1.6616824636315612
Energy: 1.74203211746049
Energy: 1.9487057482101917
Energy: 1.577902815914326
Energy: 1.4919085683371407
Energy: 1.606624461777145
Energy: 1.6276210859688636
Energy: 1.537930750615413
Energy: 1.69242866153417
Energy: 1.6847777539783146
Energy: 1.4872933719480421
Energy: 1.6838314884266978
Energy: 1.5557116205962942
Energy: 1.4986362303401088
Energy: 1.6688658351657257
Energy: 1.6813325346100036
Energy: 1.7091054389165634
Energy: 1.669037549319553
Energy: 1.7529779594669672
Energy: 1.5379877771433783
Energy: 1.6697704765542631
Energy: 1.5038316117573725
Energy: 1.5005042511723639
Energy: 1.670471353838178
Energy: 1.7108323051372996
Energy: 1.5814465440904686
Energy: 1.591865234456115
Energy: 1.8180505924549866
Energy: 1.5743595251254863
Energy: 1.6198099963028025
Energy: 1.5911623882698918
Energy: 1.5818542800224868
Energy: 1.6076223682304758
Energy: 1.63755998572835
Energy: 1.6670274822383357
Energy: 1.6195004906591366
Energy: 1.606579777030625
Energy: 1.6533060610554224
Energy: 1.6275400645476292
Energy: 1.5497042596469026
Energy: 1.5099883018013027
Energy: 1.7777731277237097
Energy: 1.618702423437614
Energy: 1.7327879208464612
Energy: 1.5035464777994616
Energy: 1.5034362051501067
Energy: 1.4871192263404687
Energy: 1.5029958443779339
Energy: 1.9560034818796554
Energy: 1.4715292993527411
Energy: 1.5039886092670933
Energy: 1.4819482209104045
Energy: 1.464721593724862
Energy: 1.503074050804144
Energy: 1.5960585107585532
Energy: 1.6215663186096472
Energy: 1.6187330443987478
Energy: 1.488653109507787
Energy: 1.5007032841243835
Energy: 1.49924564185783
Energy: 1.6185203268817756
Energy: 1.6050731205133952
Energy: 1.6658734141059812
Energy: 1.6648309858972548
Energy: 1.4565466686126904
Energy: 1.6649939134325076
Energy: 1.6748858444385346
Energy: 1.6959702601213458
Energy: 1.6847597605590487
Energy: 1.6649012688741585
Energy: 1.4636417000769653
Energy: 1.6649945903246395
Energy: 1.684801721741234
Energy: 1.6532244721918832
Energy: 1.6556060322866373
Energy: 1.4654221389337205
Energy: 1.4662556524573322
Energy: 1.4655032624075481
Energy: 1.655341992594916
Energy: 1.5732338446291472
Energy: 1.66700355524952
Energy: 1.6654541100402591
Energy: 1.4388255806273185
Energy: 1.6656666886070612
Energy: 1.7195350844732988
Energy: 1.5716393210371944
Energy: 1.6798356986654892
Energy: 1.6652616662782695
Energy: 1.4366612314355631
Energy: 1.6655944447394717
Energy: 1.6892156989156626
Energy: 1.6211606715675797
Energy: 1.6247573001422355
Energy: 1.4723898287096189
Energy: 1.4935105200344045
Energy: 1.5107842046468682
Energy: 1.6238641800812688
Energy: 1.5746260786754205
Energy: 1.508585255656719
Energy: 1.4614080070543045
Energy: 1.4626350236863088
Energy: 1.5077331566592767
Energy: 1.6390975208124727

minimum gb energy = 1.4366612314355631 eV
minimum distance =  2.24708065554852 Angstroms
sigma value = 51


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

Energy: 2.587591317946351
Energy: 1.7069335045916136
Energy: 1.63394583541002
Energy: 1.5923126548657989
Energy: 1.5975247520234348
Energy: 1.7071986691268033
Energy: 1.4250035267026357
Energy: 1.7157261945209052
Energy: 1.5962233350396737
Energy: 1.66167546744292
Energy: 1.596380032774533
Energy: 1.5990226053802135
Energy: 1.6069735735678374
Energy: 1.596698455361939
Energy: 1.7109252039587541
Energy: 1.6881671399209335
Energy: 1.5964130827525498
Energy: 1.5966213439646397
Energy: 1.594351708944869
Energy: 1.5963314743907058
Energy: 1.5957062772713844
Energy: 1.5991237115638308
Energy: 1.595790194574608
Energy: 1.5964412670395263
Energy: 1.5941079668466323
Energy: 1.6085026242966434
Energy: 1.5989651031346432
Energy: 1.6871438948437445
Energy: 1.705717942692405
Energy: 1.6080835548382886
Energy: 1.6106360668008095
Energy: 1.7083084517078622
Energy: 1.5960513579594902
Energy: 1.6645060606585576
Energy: 1.7078814579767212
Energy: 1.7075280481681547
Energy: 1.6086829234230284
Energy: 1.7087220755171628
Energy: 1.7089920485573395
Energy: 1.7510640499978432
Energy: 1.7092085346730663
Energy: 1.7077610410176824
Energy: 1.6275857602753323
Energy: 1.5966810575503847
Energy: 1.5963868050786716
Energy: 1.6641478244939205
Energy: 1.7073830177822096
Energy: 1.5965042936404465
Energy: 1.423167265005703
Energy: 1.59795293201617
Energy: 1.5966396621222767
Energy: 1.5957213542244986
Energy: 1.5967556354896075
Energy: 1.6950554011594452
Energy: 1.4261690955316702
Energy: 1.5957263896659286
Energy: 1.5964200128663195
Energy: 1.6083864676707895
Energy: 1.596491969811356
Energy: 1.6944708051029194
Energy: 1.598002709992991
Energy: 1.6006177171507496
Energy: 1.6074673850570234
Energy: 1.6080314445762527
Energy: 1.6228782097780594
Energy: 1.5969616424475122
Energy: 1.606265316627517
Energy: 1.5952100130865319
Energy: 1.594977084092473
Energy: 1.598691834676494
Energy: 1.5948385127384388
Energy: 1.5950080151741002
Energy: 1.5924243962240947
Energy: 1.5953279163206435
Energy: 1.595216399176904
Energy: 1.5979829895461524
Energy: 1.5948957041426397
Energy: 1.5954728931992588
Energy: 1.607170017081641
Energy: 1.5996041719540928
Energy: 1.623713373255587
Energy: 1.7190761191679471
Energy: 1.6240108064102166
Energy: 1.5959151371766251
Energy: 1.6088697816655664
Energy: 1.7067098135807577
Energy: 1.7073473910288086
Energy: 1.7512864835029383
Energy: 1.7067707768596994
Energy: 1.7066448336016093
Energy: 1.6086321428985397
Energy: 1.706644772641968
Energy: 1.70810443290829
Energy: 1.7535829675398658
Energy: 1.707003410571817
Energy: 1.7067179470417144
Energy: 1.592139979443093
Energy: 1.5988340256144973
Energy: 1.5994356696020133
Energy: 1.5946730744988311
Energy: 1.599019594863642
Energy: 1.5985958021606144
Energy: 1.42562821407572
Energy: 1.5956452230226787
Energy: 1.5948112997695871
Energy: 1.5936078091271395
Energy: 1.5961053913334493
Energy: 1.6942769889996996

minimum gb energy = 1.423167265005703 eV
minimum distance =  2.25498221874314 Angstroms
sigma value = 19


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

Energy: 2.390813267963171
Energy: 1.7424373927480483
Energy: 1.6277846116732024
Energy: 1.5864885978923595
Energy: 1.6499077698323967
Energy: 1.7417981711315231
Energy: 1.574822093335967
Energy: 1.7856511537591784
Energy: 1.6279400431666173
Energy: 1.634047018554407
Energy: 1.7046712500173542
Energy: 1.7851316875115253
Energy: 1.6433518229939847
Energy: 1.76854040241489
Energy: 1.7683426920372385
Energy: 1.572458678180402
Energy: 1.7680722162182307
Energy: 1.8101812151652852
Energy: 1.7933076732101934
Energy: 1.7683704966799125
Energy: 1.7679435334331766
Energy: 1.7987481534956096
Energy: 1.7682625858209955
Energy: 1.812206393390477
Energy: 1.7959106622918461
Energy: 1.7860372626710055
Energy: 1.7437822651206834
Energy: 1.5730613628636616
Energy: 1.824486481239451
Energy: 1.8438584563088156
Energy: 1.7945180341891305
Energy: 1.8097690006378764
Energy: 1.8251935057549467
Energy: 1.5730014630167242
Energy: 1.7685474842925326
Energy: 1.8112421222304163
Energy: 1.8097862934408078
Energy: 1.8092414250516156
Energy: 1.8096299017739614
Energy: 1.7936961628384849
Energy: 1.7861515514241666
Energy: 1.809727644999033
Energy: 1.7420144678754315
Energy: 1.7688958612225758
Energy: 1.7049974382978574
Energy: 1.5727726502400994
Energy: 1.7684930976810047
Energy: 1.8096284442953818
Energy: 1.564463345740936
Energy: 1.6274079725718174
Energy: 1.627113305880188
Energy: 1.5719068574709865
Energy: 1.626787986052318
Energy: 1.7690254836600665
Energy: 1.6657372577803709
Energy: 1.626895549155691
Energy: 1.6276066246395449
Energy: 1.5855300451088663
Energy: 1.6272070657649593
Energy: 1.7702002368909076
Energy: 1.6889942523003227
Energy: 1.7677079804468971
Energy: 1.7006436762626236
Energy: 1.6487975951096752
Energy: 1.7055735543534836
Energy: 1.7647829307081735
Energy: 1.7475553648320437
Energy: 1.8540752704111043
Energy: 1.8540080875783898
Energy: 1.7996462271592903
Energy: 1.799453463055844
Energy: 1.8097289645146908
Energy: 1.8963506749610808
Energy: 1.8597877136595666
Energy: 1.8000333610479275
Energy: 1.7994275920623248
Energy: 1.7990081829900175
Energy: 1.859162542571949
Energy: 1.6493045247257592
Energy: 1.8545659547031328
Energy: 1.768196565285595
Energy: 1.644436260473162
Energy: 1.7685844269675044
Energy: 1.7991353939634354
Energy: 1.5858158981829733
Energy: 1.6276228479389598
Energy: 1.788053546469548
Energy: 1.7601346014759653
Energy: 1.6276695144799265
Energy: 1.5872786078631411
Energy: 1.572641600378858
Energy: 1.627579582302284
Energy: 1.7205318459586276
Energy: 1.628268708930829
Energy: 1.6269769660062645
Energy: 1.6472984218631408
Energy: 1.5719047936902317
Energy: 1.7054427784587518
Energy: 1.78500050996534
Energy: 1.5864949351109265
Energy: 1.7847519513679542
Energy: 1.6279966897483602
Energy: 1.7154970576818023
Energy: 1.7675480501830345
Energy: 1.7682505538106104
Energy: 1.818775331562527
Energy: 1.7679020405019423
Energy: 1.7679292765275927
Energy: 1.8000908234636779
Energy: 1.7677876526075762
Energy: 1.768346592888915
Energy: 1.7854269850026288
Energy: 1.767523554507367
Energy: 1.7683288979410865
Energy: 1.6435542242769137
Energy: 1.7434569667583113
Energy: 1.7218260456967183
Energy: 1.77172925986713
Energy: 1.8142023339288744
Energy: 1.6434218766703717
Energy: 1.6333094015107208
Energy: 1.7682313716431906
Energy: 1.7986891294689396
Energy: 1.787772807176548
Energy: 1.7679196466880993
Energy: 1.787434701336293
Energy: 1.495416238887027
Energy: 1.767999489663543
Energy: 1.8090635932784385
Energy: 1.8183799751539331
Energy: 1.7688644230996355
Energy: 1.7938719378809909
Energy: 1.5234266951288016
Energy: 1.705679221163315
Energy: 1.767648184672958
Energy: 1.748775460337008
Energy: 1.7678693588560568
Energy: 1.7048253087681122
Energy: 1.5722266000356964
Energy: 1.6271596666546637
Energy: 1.7702306631071656
Energy: 1.6274002170965094
Energy: 1.6265670895732567
Energy: 1.6270093258763911
Energy: 1.583908355950122
Energy: 1.6269272150082004
Energy: 1.6272242606199905
Energy: 1.627234339457203
Energy: 1.6265437794728317
Energy: 1.6270361974476495
Energy: 1.604543116501507
Energy: 1.6974726071955801
Energy: 1.7687716249106489
Energy: 1.7504019548610703
Energy: 1.7678661432157117
Energy: 1.696892556806197
Energy: 1.8094642159179335
Energy: 1.7995309407309694
Energy: 1.8531816902778713
Energy: 1.7429243893986959
Energy: 1.8003793138640496
Energy: 1.8533206891222667
Energy: 1.743079998933343
Energy: 1.7991255663002705
Energy: 1.8526095952753412
Energy: 1.9033785004260046
Energy: 1.798884926199412
Energy: 1.8000589734171935
Energy: 1.5879885288399835
Energy: 1.7836942854754558
Energy: 1.7058231554970558
Energy: 1.6477713366781084
Energy: 1.7442169971065808
Energy: 1.718722288617362
Energy: 1.5627156740471813
Energy: 1.6267470810243303
Energy: 1.6270331608907984
Energy: 1.5868459970240334
Energy: 1.6272715518221934
Energy: 1.7205635116760496

minimum gb energy = 1.495416238887027 eV
minimum distance =  2.23392048188655 Angstroms
sigma value = 27


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

Energy: 1.9763866037623312
Energy: 1.751524136011247
Energy: 1.489313185669905
Energy: 1.4894026788855999
Energy: 1.6442112483630509
Energy: 1.6542653381600103
Energy: 1.4143696411479234
Energy: 1.8700902676926228
Energy: 1.431678628820025
Energy: 1.4330257202375671
Energy: 1.6437294403702678
Energy: 1.6548436607970032
Energy: 1.4313081648227548
Energy: 1.6448144546165036
Energy: 1.6447203702847446
Energy: 1.4326304418111682
Energy: 1.6452599067001534
Energy: 1.6443067500210868
Energy: 1.6129153605275215
Energy: 1.6453078827512169
Energy: 1.64461810198341
Energy: 1.4315820473974163
Energy: 1.6450239178818904
Energy: 1.6448036585656374
Energy: 1.4342960176971624
Energy: 1.6528792413055997
Energy: 1.7440656418192633
Energy: 1.434455394991976
Energy: 1.7486569759025652
Energy: 1.6545311711286246
Energy: 1.4903663338683724
Energy: 1.6451077742869054
Energy: 1.867004628797536
Energy: 1.4348947378891665
Energy: 1.7432168944215367
Energy: 1.7231565575665941
Energy: 1.4898899780742259
Energy: 1.6576964657817763
Energy: 1.751056421074451
Energy: 1.9779855025717727
Energy: 1.6442694227894301
Energy: 1.4954982683984712
Energy: 1.4321245959457445
Energy: 1.644159198059355
Energy: 1.6563978972849884
Energy: 1.43473168338185
Energy: 1.8709264290077152
Energy: 1.4348652293501536
Energy: 1.433060990312105
Energy: 1.6449447995491229
Energy: 1.643725438301183
Energy: 1.4303352036077865
Energy: 1.6449935382281318
Energy: 1.7433247557731841
Energy: 1.6328847972669918
Energy: 1.6447599188266557
Energy: 1.6448200561747706
Energy: 1.4895355103180101
Energy: 1.6453148371926491
Energy: 1.6443820651422996
Energy: 1.4300812697145837
Energy: 1.7478626608204064
Energy: 1.6554172315125473
Energy: 1.434587259720057
Energy: 1.6460304943771846
Energy: 1.6444362131718526
Energy: 1.6768008496215732
Energy: 1.8699974062120555
Energy: 1.7370467433467554
Energy: 1.490137053686378
Energy: 1.644314485159955
Energy: 1.6569973226992727

minimum gb energy = 1.4143696411479234 eV
minimum distance =  2.25020642455496 Angstroms
sigma value = 9


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

Energy: 1.6546163095621187
Energy: 1.732782051862145
Energy: 1.5273764714841072
Energy: 1.5307563922090814
Energy: 1.6090273883775372
Energy: 1.8293834654484935
Energy: 1.6383288492492356
Energy: 1.8215684341508303
Energy: 1.6073119012157637
Energy: 1.6272052548409461
Energy: 1.6072400751248985
Energy: 1.6816098969449411
Energy: 1.6872113103400106
Energy: 1.912755258460653
Energy: 1.7570963759911564
Energy: 1.628511545521984
Energy: 1.91334197658389
Energy: 1.6084914182383085
Energy: 1.4914097644208912
Energy: 1.9131626468064018
Energy: 1.9136777933841231
Energy: 1.6089066592433658
Energy: 1.9009719406287178
Energy: 1.9148167984616435
Energy: 1.6119319100034166
Energy: 1.9149338199061696
Energy: 1.700160592328753
Energy: 1.7013146005732707
Energy: 1.9021655096902226
Energy: 1.7885046309728905
Energy: 1.6104015831377079
Energy: 1.6072928280864733
Energy: 1.9222071711523359
Energy: 1.6845851059202515
Energy: 1.6072211891640884
Energy: 1.6072398370466963
Energy: 1.5261940040171744
Energy: 1.6073070278241588
Energy: 1.7841112666545722
Energy: 1.8604516294934044
Energy: 1.6075005496810848
Energy: 1.5271976996060408
Energy: 1.5268275464752763
Energy: 1.6071603218302983
Energy: 1.8719514614050063
Energy: 1.6327082910015152
Energy: 1.607096901239976
Energy: 1.5275412642018078
Energy: 1.5301602908724206
Energy: 1.8673779189203301
Energy: 1.8532841518757015
Energy: 1.701286227749159
Energy: 1.8592674047301807
Energy: 1.5276966633224898
Energy: 1.5308019569338873
Energy: 1.8679538325910845
Energy: 1.8585620946181418
Energy: 1.7090657583388933
Energy: 1.8583596808451968
Energy: 1.8665537615671108
Energy: 1.64171690363273
Energy: 1.8622677687143216
Energy: 1.8582856335738291
Energy: 1.753692988215768
Energy: 1.858757540070531
Energy: 1.569193458582373
Energy: 1.6430143282361016
Energy: 1.80463947538154
Energy: 1.7645969822154866
Energy: 1.7002269360219415
Energy: 1.7650961688059215
Energy: 1.6429325453122905
Energy: 1.620327126405657
Energy: 1.765653658749748
Energy: 1.7056027727833547
Energy: 1.5973253826268472
Energy: 1.765353928187276
Energy: 1.8736582825545733
Energy: 1.6432015178010804
Energy: 1.9128480574930862
Energy: 1.6947189854517148
Energy: 1.5962774861238767
Energy: 1.765184921321618
Energy: 1.6767571084649358
Energy: 1.64184016330813
Energy: 1.8314464352467528
Energy: 1.5989895053430059
Energy: 1.600537018990532
Energy: 1.7705438956859942
Energy: 1.642063897843936
Energy: 1.748513430986281
Energy: 1.7648296078402532
Energy: 1.7701263886070875
Energy: 1.5991138012688968
Energy: 1.765671591162535
Energy: 1.8112247936193249
Energy: 1.63929817108394
Energy: 1.7642235856989836
Energy: 1.680845628701944
Energy: 1.696021586835645
Energy: 1.764392791530831
Energy: 1.8113538393318682
Energy: 1.6402801385871297
Energy: 1.8591228387465037
Energy: 1.7668089565155767
Energy: 1.7023271834474156
Energy: 1.8574107733088203
Energy: 1.6428599771823225
Energy: 1.529117192591608
Energy: 1.8778918067077515
Energy: 1.8605851502126236
Energy: 1.6041911595477545
Energy: 1.8638289740922473
Energy: 1.5303733049108081
Energy: 1.5290220477593643
Energy: 1.8777247657637575
Energy: 1.8579730195676236
Energy: 1.6824282277078182
Energy: 1.8581519017272734
Energy: 1.8472062988509137
Energy: 1.5300144244930882
Energy: 1.528579447216161
Energy: 1.8718840374196142
Energy: 1.7032035591204304
Energy: 1.9509659746641712
Energy: 1.5292200795988349
Energy: 1.5286499244635925
Energy: 1.6085415546845967
Energy: 1.7087879040459073
Energy: 1.6356915005861952
Energy: 1.6075074259066227
Energy: 1.5280126055869607
Energy: 1.6215546039337145
Energy: 1.6073790546019229
Energy: 1.6097343769948975
Energy: 1.6343331141521162
Energy: 1.6066520331417466
Energy: 1.6072181163001942
Energy: 1.628184744355089
Energy: 1.7011011414745312
Energy: 1.8011145053979336
Energy: 1.706017402586413
Energy: 1.924701998411031
Energy: 1.6091144400368107
Energy: 1.6266744354430887
Energy: 1.9161889315299654
Energy: 1.9136075327509248
Energy: 1.6081543888928032
Energy: 1.9141078716812228
Energy: 1.9170787175682051
Energy: 1.6287265866398184
Energy: 1.9129576465404678
Energy: 1.912960133462233
Energy: 1.4911374895573766
Energy: 1.9181042805472768
Energy: 1.7005652971116354
Energy: 1.6989922168405853
Energy: 1.9008754179999465
Energy: 1.6086065210422353
Energy: 1.627849578886453
Energy: 1.6081582611563896
Energy: 1.6817050049449853
Energy: 1.6160761731807096
Energy: 1.6075318908759473
Energy: 1.6083667219033266
Energy: 1.5533701283484698
Energy: 1.6078321662391464
Energy: 1.7646732347835943
Energy: 1.6374819593451955
Energy: 1.606573613578677
Energy: 1.6068799258634443
Energy: 1.52374356914451
Energy: 1.6067834496201785
Energy: 1.7641542624297941
Energy: 1.7001789325778025
Energy: 1.857626714165906
Energy: 1.5304171738302728
Energy: 1.5298376688536843
Energy: 1.8633705414933521
Energy: 1.6812075814560468
Energy: 1.7553615052344582
Energy: 1.8577760322012506
Energy: 1.8669268318102348
Energy: 1.805917225717645
Energy: 1.867581360873545
Energy: 1.8530016345739828
Energy: 1.7554444399970761
Energy: 1.858951371577425
Energy: 1.6744084390354401
Energy: 1.5584621044606703
Energy: 1.870589711440358
Energy: 1.899025075389686
Energy: 1.7018207343889569
Energy: 1.7660069995822292
Energy: 1.855605614014539
Energy: 1.6421425458408512
Energy: 1.8601165112038311
Energy: 1.6813707893105083
Energy: 1.6716125839495075
Energy: 1.7655389582867609
Energy: 1.7654231516809142
Energy: 1.6052221886187852
Energy: 1.765572851760589
Energy: 1.6246645356181268
Energy: 1.6328574940760894
Energy: 1.7648388327575169
Energy: 1.7642882896606173
Energy: 1.6953698291368438
Energy: 1.7647292008958266
Energy: 1.6912127599757645
Energy: 1.594714771340079
Energy: 1.5982258584816267
Energy: 1.8124184642221306
Energy: 1.6430852804287117
Energy: 1.8410639188262525
Energy: 1.5974590050757518
Energy: 1.6327628918415706
Energy: 1.759559086228694
Energy: 1.9121866569234158
Energy: 1.639135064020355
Energy: 1.764016039274398
Energy: 1.692195869021782
Energy: 1.6245474111435179
Energy: 1.7666916101548245
Energy: 1.8114829620875714
Energy: 1.636937965488083
Energy: 1.7655025782637368
Energy: 1.6376028815657426
Energy: 1.6866807440915637
Energy: 1.7660705713023594
Energy: 1.804671945408727
Energy: 1.6423268356568237
Energy: 1.8599893680489359
Energy: 1.6814533174255695
Energy: 1.621092649724778
Energy: 1.8579244263492813
Energy: 1.5304179430088012
Energy: 1.5585299240998318
Energy: 1.86170002406782
Energy: 1.8582935821705076
Energy: 1.6866036830853721
Energy: 1.8582158673604396
Energy: 1.867854762532949
Energy: 1.5254652104322615
Energy: 1.858977044941021
Energy: 1.858597124797587
Energy: 1.7001984016249407
Energy: 1.9658286003576122
Energy: 1.5298884212586146
Energy: 1.530395069908225
Energy: 1.7809849978272254
Energy: 1.6811966098643853
Energy: 1.6344011521991835
Energy: 1.6066428934243624
Energy: 1.5262333822892866
Energy: 1.5227286352012572
Energy: 1.6068135920379956
Energy: 1.6411364770892185

minimum gb energy = 1.4911374895573766 eV
minimum distance =  2.19304552314532 Angstroms
sigma value = 57


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

Energy: 2.6374330087610693
Energy: 1.821848486962931
Energy: 1.465462297834165
Energy: 1.3727274360661286
Energy: 1.70006930643921
Energy: 1.3948599810176843
Energy: 1.3582484372353667
Energy: 1.8223059914852637
Energy: 1.3678251481998163
Energy: 1.3653391399420343
Energy: 1.6213365129131494
Energy: 1.826416234865356
Energy: 1.367634276049405
Energy: 1.6636668169216124
Energy: 1.8317831441211605
Energy: 1.3678944989094746
Energy: 1.8334608221360813
Energy: 1.6237243172631806
Energy: 1.360784849368561
Energy: 1.6633274890539853
Energy: 1.832409838464062
Energy: 1.3682958413272273
Energy: 1.8351002796396116
Energy: 1.3632097526528577
Energy: 1.3614261122129203
Energy: 1.6634507288375708
Energy: 1.8339143824956128
Energy: 1.3686376755227116
Energy: 1.8346251666788707
Energy: 1.6634007656979424
Energy: 1.3637568228167132
Energy: 1.621341988245416
Energy: 1.835255361066469
Energy: 1.3679140254571338
Energy: 1.6211273661642496
Energy: 1.620293603577926
Energy: 1.4035018366981389
Energy: 1.628349894005518
Energy: 1.6290357300570937
Energy: 1.353282062315674
Energy: 1.6284703860755814
Energy: 1.402380520788406
Energy: 1.403973077947573
Energy: 1.621555450242841
Energy: 1.826629187254793
Energy: 1.3692595595554486
Energy: 1.6214744602022557
Energy: 1.6208992982051278
Energy: 1.4020298837529124
Energy: 1.4022281158423948
Energy: 1.8339083024975944
Energy: 1.3699676101276645
Energy: 1.8260591018544348
Energy: 1.4029165650686197
Energy: 1.4034152652912413
Energy: 1.403758688743536
Energy: 1.822027466263743
Energy: 1.3592434822061306
Energy: 1.6225280685323036
Energy: 1.4033802214018982
Energy: 1.367231016109236
Energy: 1.368718249481521
Energy: 1.8204628439312605
Energy: 1.358798880410815
Energy: 1.6213664869284559
Energy: 1.368276412759274
Energy: 1.369441870639575
Energy: 1.664467526681222
Energy: 1.6213066927040092
Energy: 1.367301034865802
Energy: 1.831477402148824
Energy: 1.629131629834091
Energy: 1.3662874274379881
Energy: 1.835228876084287
Energy: 1.6651619433353648
Energy: 1.624751229505685
Energy: 1.832105341688688
Energy: 1.8351069997705556
Energy: 1.3691455518540179
Energy: 1.8321058982060567
Energy: 1.6633856831232725
Energy: 1.3580467622607253
Energy: 1.833132178614
Energy: 1.6642168858627817
Energy: 1.369275277692049
Energy: 1.8317679395227697
Energy: 1.6239406919932147
Energy: 1.3691779092533407
Energy: 1.6237026260282887
Energy: 1.8221328530925796
Energy: 1.3565919925669028
Energy: 1.6225874708851802
Energy: 1.627616827728707
Energy: 1.36802337375321
Energy: 1.6274421370014416
Energy: 1.6596622827484662
Energy: 1.3559851227819273
Energy: 1.6209138424964795
Energy: 1.6220824852089664
Energy: 1.4033274618271645
Energy: 1.6216473450836197
Energy: 1.621104938110136
Energy: 1.3665915602057463
Energy: 1.8418267065832412
Energy: 1.4018996064535483
Energy: 1.3989033507589577
Energy: 1.628437054802787
Energy: 1.821162232622332
Energy: 1.3573594271730611
Energy: 1.6211841463532788
Energy: 1.403704439836173
Energy: 1.401090572220389
Energy: 1.6217516948544657
Energy: 1.8316245115352348

minimum gb energy = 1.353282062315674 eV
minimum distance =  2.21833754003874 Angstroms
sigma value = 11


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

Energy: 1.874697334669116
Energy: 1.2637418130594769
Energy: 1.2855097641011686
Energy: 1.3621228335002042
Energy: 1.2831735264600523
Energy: 1.2649549666102526
Energy: 1.7258335879150524
Energy: 1.4725899160193696
Energy: 1.2576029931985788
Energy: 1.492113200786478
Energy: 1.472362065393821
Energy: 1.7559719645147305
Energy: 1.7329688897044704
Energy: 1.715281031396517
Energy: 1.5461598537978454
Energy: 1.2588249789288435
Energy: 1.7154908255916725
Energy: 1.7747553062769499
Energy: 1.7233169952207312
Energy: 1.716944578314828
Energy: 1.5458968051616553
Energy: 1.2583330112451203
Energy: 1.7151911655135748
Energy: 1.7810700536351158
Energy: 1.7240674267199185
Energy: 1.7174104133460584
Energy: 1.7307921379448987
Energy: 1.262179560971209
Energy: 1.714729780420553
Energy: 1.779953452677827
Energy: 1.7305141006013671
Energy: 1.539118992759915
Energy: 1.523588059074469
Energy: 1.2619656379833282
Energy: 1.684963840755927
Energy: 1.5348079007780684
Energy: 1.477851320049499
Energy: 1.5400543510378704
Energy: 1.542937042771635
Energy: 1.2538864521931898
Energy: 1.541171638725721
Energy: 1.544743347387541
Energy: 1.3776161662155253
Energy: 1.717964526402549
Energy: 1.7174476294182284
Energy: 1.276456386155861
Energy: 1.7186753929014649
Energy: 1.5437373037154556
Energy: 1.4800245895183048
Energy: 1.47246623740505
Energy: 1.7554226236100405
Energy: 1.2579302117579192
Energy: 1.5386535495416405
Energy: 1.474164018996404
Energy: 1.2576779437343009
Energy: 1.2749300238633208
Energy: 1.4718097995963584
Energy: 1.268420918393781
Energy: 1.4718504011953042
Energy: 1.2563958133394928
Energy: 1.2765671080065613
Energy: 1.4728542197582843
Energy: 1.471485745177473
Energy: 1.2545690316033657
Energy: 1.4713122567607495
Energy: 1.2751329348105804
Energy: 1.2702015894525418
Energy: 1.2737924474419489
Energy: 1.758105824864594
Energy: 1.7361026894802685
Energy: 1.2772859007947315
Energy: 1.273976648874391
Energy: 1.2762736831564954
Energy: 1.4735378012931346
Energy: 1.7179302001289758
Energy: 1.2577811028919264
Energy: 1.4724568636283042
Energy: 1.2774432549204666
Energy: 1.2577107670711707
Energy: 1.257400355534859
Energy: 1.6657452585261798
Energy: 1.7164871582319534
Energy: 1.4727133485901744
Energy: 1.2575092464968178
Energy: 1.4972290380199709
Energy: 1.4742946059508222
Energy: 1.7544372519531666
Energy: 1.7307018522283586
Energy: 1.4727214133902196
Energy: 1.257488023354987
Energy: 1.4945280293037961
Energy: 1.7288266427988879
Energy: 1.7175225663032399
Energy: 1.535149342863753
Energy: 1.718350519274754
Energy: 1.5447304868755949
Energy: 1.4953939432348358
Energy: 1.5444124537789574
Energy: 1.7824590786300263
Energy: 1.250807948191779
Energy: 1.7150252027328003
Energy: 1.5480691524075414
Energy: 1.7125420979626615
Energy: 1.715926672383819
Energy: 1.718737811242275
Energy: 1.2512373104232513
Energy: 1.7177218494388624
Energy: 1.7318098590813975
Energy: 1.4784886766818786
Energy: 1.7179630229770788
Energy: 1.534672082803586
Energy: 1.2564120163179662
Energy: 1.7182128880512013
Energy: 1.523201428376002
Energy: 1.4872687270878395
Energy: 1.7164786416993572
Energy: 1.54469990604843
Energy: 1.2598924449625626
Energy: 1.5433773572223952
Energy: 1.7149917288943375
Energy: 1.7171765076585135
Energy: 1.7147353426280245
Energy: 1.5443186101440987
Energy: 1.252528685881433
Energy: 1.714384017668763
Energy: 1.7738627874070518
Energy: 1.4974999094985924
Energy: 1.5360878878927346
Energy: 1.4728440627001094
Energy: 1.4780459570281934
Energy: 1.4728707215495658
Energy: 1.7534926245478422
Energy: 1.4912948505753365
Energy: 1.4726380540335249
Energy: 1.273752701641562
Energy: 1.2581687781080404
Energy: 1.2742349347934057
Energy: 1.7344074384638928
Energy: 1.726077059724109
Energy: 1.4715681235633609
Energy: 1.4736919472610497
Energy: 1.277331201622471
Energy: 1.4724398630953612
Energy: 1.7172595769953076
Energy: 1.7135919239984871
Energy: 1.7154045410332193
Energy: 1.272865911466406
Energy: 1.2713047629737113
Energy: 1.2733170332734571
Energy: 1.7574125438015622
Energy: 1.2618550447747148
Energy: 1.4721596443112999
Energy: 1.2753686193302338
Energy: 1.27794775200633
Energy: 1.4725842676796033
Energy: 1.6670126063816095

minimum gb energy = 1.250807948191779 eV
minimum distance =  2.19643448227661 Angstroms
sigma value = 41


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

Energy: 2.1477164062414884
Energy: 1.1536052330115034
Energy: 1.1700629490443932
Energy: 1.1698357115848164
Energy: 1.169814538439281
Energy: 1.1705943658928206
Energy: 1.5183760900310903
Energy: 1.4076469014453963
Energy: 1.3405300694291702
Energy: 1.3411882357118075
Energy: 1.3291106045975338
Energy: 1.5891854741089626
Energy: 1.9570662852014955
Energy: 1.4059891794824138
Energy: 1.1703804419599046
Energy: 1.3434906140337404
Energy: 1.169820157245992
Energy: 1.6045323432382417
Energy: 1.9453670352197214
Energy: 1.543412759080202
Energy: 1.1708384651446633
Energy: 1.3418102865943606
Energy: 1.4074869110914232
Energy: 1.5888794343210721
Energy: 1.9463242696809517
Energy: 1.5450895611672009
Energy: 1.4075103244770442
Energy: 1.572960006085355
Energy: 1.405008568415382
Energy: 1.5847550145794806
Energy: 1.7393460342011324
Energy: 1.5922527795382662
Energy: 1.4393541003368298
Energy: 1.5747496431375094
Energy: 1.4398474092440359
Energy: 1.5912171654379377
Energy: 1.726901775339415
Energy: 1.4321566265559886
Energy: 1.5910664051834307
Energy: 1.5973696770245613
Energy: 1.591507134028789
Energy: 1.5613873704076884
Energy: 1.5245176814945327
Energy: 1.5913991626246458
Energy: 1.4382974314663755
Energy: 1.5744326601946304
Energy: 1.6014421091194346
Energy: 1.5851023733507532
Energy: 1.7390733731552512
Energy: 1.5613641539815248
Energy: 1.5935007627977544
Energy: 1.5879917856464199
Energy: 1.4419189711002605
Energy: 1.5536674173885583
Energy: 1.5300925781664363
Energy: 1.5729236900132681
Energy: 1.543151790530815
Energy: 1.5710703637342658
Energy: 1.4060509830435088
Energy: 1.5739313404533852
Energy: 1.342141326409371
Energy: 1.4065199424480872
Energy: 1.5446906494608261
Energy: 1.5712113404424797
Energy: 1.5448988636958756
Energy: 1.3332418481840957
Energy: 1.3301962429828227
Energy: 1.1699692367720793
Energy: 1.5883199693321413
Energy: 1.5891844166507307
Energy: 1.4067704084573691
Energy: 1.1697212935826595
Energy: 1.3264038285832351
Energy: 1.3305253280304834
Energy: 1.3286938573252536
Energy: 1.5896947529698882
Energy: 1.3345255151318247
Energy: 1.1707671556563524
Energy: 1.1673841912265042
Energy: 1.1680064330996076
Energy: 1.160206827077968
Energy: 1.4329534784996176
Energy: 1.1700419080449307
Energy: 1.1688599717354982
Energy: 1.170892986882938
Energy: 1.169536795192655
Energy: 1.407769059567314
Energy: 1.5916990777052695
Energy: 1.1699017228072905
Energy: 1.170587157358669
Energy: 1.1698585945793814
Energy: 1.169822318800156
Energy: 1.405571161947829
Energy: 1.5914579493464507
Energy: 1.1688701304183293
Energy: 1.170567911706422
Energy: 1.166999419255684
Energy: 1.1688961918804053
Energy: 1.1426689736990954
Energy: 1.5891120277475013
Energy: 1.1697930179233909
Energy: 1.1688302023933115
Energy: 1.3381702609003325
Energy: 1.3395833153084034
Energy: 1.5457398331795444
Energy: 1.5855910140500706
Energy: 1.3333202029803004
Energy: 1.3425954132138587
Energy: 1.3411285854618569
Energy: 1.170028596562316
Energy: 1.5879904857043547
Energy: 1.5890868653042556
Energy: 1.4078883323061253
Energy: 1.170382278807539
Energy: 1.3412075552673257
Energy: 1.1699193656277838
Energy: 1.1700803920185665
Energy: 1.5849191125927586
Energy: 1.5459177765830083
Energy: 1.3333991148230062
Energy: 1.33936960529053
Energy: 1.4080428098081992
Energy: 1.5860649354868808
Energy: 1.6063670346129446
Energy: 1.4057127586320255
Energy: 1.154217261131085
Energy: 1.7298338684123429
Energy: 1.5613880988723745
Energy: 1.5917315077244099
Energy: 1.5882433491064587
Energy: 1.6049221115721175
Energy: 1.4388559695090688
Energy: 1.741968351182401
Energy: 1.591193875465757
Energy: 1.560409987816401
Energy: 1.5748343981663875
Energy: 1.6013000955530496
Energy: 1.5977889170356199
Energy: 1.7287369648900943
Energy: 1.5921413266064
Energy: 1.5914432368037876
Energy: 1.4980198215360079
Energy: 1.5913412033148546
Energy: 1.4386639334125075
Energy: 1.9526191408145412
Energy: 1.5914306392853665
Energy: 1.4434664365039933
Energy: 1.5749590635818318
Energy: 1.5623409607575178
Energy: 1.590885157424628
Energy: 1.7267870656076274
Energy: 1.5457267269232149
Energy: 1.5747876057285544
Energy: 1.5128811207579198
Energy: 1.4074567134469023
Energy: 1.5632692977674665
Energy: 1.7270138424468742
Energy: 1.54257453885198
Energy: 1.1705431753993318
Energy: 1.1697923663718983
Energy: 1.4084569754381744
Energy: 1.5442180987440501
Energy: 1.9567817354208867
Energy: 1.4055047068770818
Energy: 1.1691425475870534
Energy: 1.1692469802805119
Energy: 1.4071072083864784
Energy: 1.6053256298789493
Energy: 1.7394088113218544
Energy: 1.1702900222494377
Energy: 1.3347822479158051
Energy: 1.3409773916200556
Energy: 1.3315973927810274
Energy: 1.589002870706709
Energy: 1.7256775939828095
Energy: 1.1699144866583633
Energy: 1.1514819899386508
Energy: 1.1526691618983962
Energy: 1.1679114713941132
Energy: 1.1600522750548552
Energy: 1.7393862689836657
Energy: 1.3315559359454543
Energy: 1.332818029814022
Energy: 1.1678834707725223
Energy: 1.3342309661826754
Energy: 1.5888500557642395
Energy: 1.9548158521611647
Energy: 1.4070765072040752
Energy: 1.1687062195532818
Energy: 1.1686327042312656
Energy: 1.1706848152768743
Energy: 1.5883983216055297
Energy: 1.9312702794495598
Energy: 1.1695631471407237
Energy: 1.169476525270454
Energy: 1.1697116050802112
Energy: 1.1687640117878968
Energy: 1.1439023787021636

minimum gb energy = 1.1426689736990954 eV
minimum distance =  2.28459331260886 Angstroms
sigma value = 33


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

Energy: 1.992159829380637
Energy: 1.007155293160381
Energy: 1.0174202453604249
Energy: 1.1323978379799853
Energy: 1.018234522011109
Energy: 1.3172847748718446
Energy: 1.8700206116653721
Energy: 1.0180810334726478
Energy: 1.1408179059133268
Energy: 1.1402940252838583
Energy: 1.0203961366542582
Energy: 1.0181448165202691
Energy: 2.0604584793061407
Energy: 1.3418032874679144
Energy: 1.0178000296301444
Energy: 1.147591344767727
Energy: 1.0186679527447204
Energy: 1.346141587082936
Energy: 1.8644715651531731
Energy: 1.0178758714241178
Energy: 1.019182873296391
Energy: 1.1489838116513333
Energy: 1.0180382063365208
Energy: 1.3454886323127901
Energy: 1.865127831410423
Energy: 1.018371473170036
Energy: 1.3004556659103035
Energy: 1.301404664520036
Energy: 1.0175628139709287
Energy: 1.0120582304971304
Energy: 2.0591577766867033
Energy: 1.3481124884525413
Energy: 1.2074877285001249
Energy: 1.3145764533832862
Energy: 1.2082424264055736
Energy: 1.3579070648689553
Energy: 2.0600648094046248
Energy: 1.3690746507098874
Energy: 1.3547279607428544
Energy: 1.3439745822386857
Energy: 1.3624402270618472
Energy: 1.3691627496122465
Energy: 1.5513536994250208
Energy: 1.349302543373066
Energy: 1.341052848656221
Energy: 1.2092688151683353
Energy: 1.3426215314173713
Energy: 1.3687742046783544
Energy: 2.059339047828358
Energy: 1.3693672453291712
Energy: 1.3647172022761769
Energy: 1.3602917445194513
Energy: 1.3706603966111672
Energy: 1.3692582100740773
Energy: 1.8977390754169077
Energy: 1.3726373378628889
Energy: 1.371349787619336
Energy: 1.3722023850840366
Energy: 1.3724880630773906
Energy: 1.3693803232221713
Energy: 1.5565337217867727
Energy: 1.3717705571738628
Energy: 1.3699392664302579
Energy: 1.3688665439889944
Energy: 1.3768571326502872
Energy: 1.3705814038115454
Energy: 1.5568218224669585
Energy: 1.3733193733693883
Energy: 1.3720242179844857
Energy: 1.3718234572723285
Energy: 1.3731429090217806
Energy: 1.3710216809605988
Energy: 1.7399204629376408
Energy: 1.3609338543492784
Energy: 1.3694481612259062
Energy: 1.3692991846166063
Energy: 1.3709974591652172
Energy: 1.359289013402354
Energy: 1.4137722395443888
Energy: 1.343145856587314
Energy: 1.3566612968935665
Energy: 1.3713530809292938
Energy: 1.3492864493650398
Energy: 1.3428612485829392
Energy: 1.268874938773038
Energy: 1.3550175830007927
Energy: 1.367987930614814
Energy: 1.3730522796096902
Energy: 1.3665507366012686
Energy: 1.3443487210433493
Energy: 1.4134194258869799
Energy: 1.2084838686236226
Energy: 1.2071497018188815
Energy: 1.369509387928737
Energy: 1.2071815835540776
Energy: 1.3324517019545679
Energy: 1.4136055977528035
Energy: 1.1424057029185923
Energy: 1.350489813876766
Energy: 1.3664153165686
Energy: 1.0175314185401216
Energy: 1.1431923745997408
Energy: 1.1487010038337542
Energy: 1.017720272244511
Energy: 1.2072391436527945
Energy: 1.3686606957985088
Energy: 1.0184615014798233
Energy: 1.0176834700280926
Energy: 1.1458326458552637
Energy: 1.0176126684495934
Energy: 1.0164954771284032
Energy: 1.3709266096464359
Energy: 1.3196641420776298
Energy: 1.0174381744217091
Energy: 1.1399462083014866
Energy: 1.1407503443187668
Energy: 1.0182875626631982
Energy: 1.2063719314164636
Energy: 1.0191016980264462
Energy: 1.14037734146858
Energy: 1.01329401537064
Energy: 1.015187499070366
Energy: 1.1733339184704628
Energy: 1.372334954943509
Energy: 1.0149777314871584
Energy: 1.0150009941858222
Energy: 1.017020324025461
Energy: 1.01556275316369
Energy: 1.3309774351118366
Energy: 1.3476284124612785
Energy: 1.0173608383209283
Energy: 1.0171739989734916
Energy: 1.0209778793265019
Energy: 1.0206906518306376
Energy: 1.0202556480301712
Energy: 1.3415163240976036
Energy: 1.0173766630043137
Energy: 1.0189645266854914
Energy: 1.0146799605580934
Energy: 1.015058986450288
Energy: 1.321233384134975
Energy: 1.343109389985694
Energy: 1.015322483098688
Energy: 1.0152145628880838
Energy: 1.1396564377734602
Energy: 1.140322671280105
Energy: 1.2174222992422359
Energy: 1.3617887470532895
Energy: 1.0205844961257415
Energy: 1.1410800296441515
Energy: 1.1464616991087953
Energy: 1.017862327527372
Energy: 1.3425656867132725
Energy: 1.366664843136912
Energy: 1.0163509211973085
Energy: 1.020139759799191
Energy: 1.1495187594938223
Energy: 1.0183211638998848
Energy: 1.0200075149823657
Energy: 1.3726448555733022
Energy: 1.0183639774571673
Energy: 1.0189691225510402
Energy: 1.412353569363804
Energy: 1.0175698209996076
Energy: 1.3210644493420252
Energy: 1.373721592564005
Energy: 1.0173490893696968
Energy: 1.3014261724107736
Energy: 1.4137345693557903
Energy: 1.207433401584957
Energy: 1.346851390297655
Energy: 1.370415594029346
Energy: 1.2086265224825268
Energy: 1.2078309139787577
Energy: 1.4157061763042955
Energy: 1.3687426321285558
Energy: 1.3686164586614689
Energy: 1.3723091266882859
Energy: 1.3718358465790084
Energy: 1.3444481736218137
Energy: 1.4148723907888323
Energy: 1.2076153054198133
Energy: 1.3686188135287716
Energy: 1.3599850367578532
Energy: 1.3490518916715273
Energy: 1.2075237192449835
Energy: 1.7149768733157411
Energy: 1.3661348918020937
Energy: 1.3697640667657887
Energy: 1.373243366791663
Energy: 1.370808621281951
Energy: 1.36043520581871
Energy: 1.71717582107606
Energy: 1.3711182595928828
Energy: 1.3723704394005742
Energy: 1.3721887844973666
Energy: 1.3727412813455377
Energy: 1.3719408328964682
Energy: 1.717449096777635
Energy: 1.3726279864666946
Energy: 1.3717729001996295
Energy: 1.3595667342139686
Energy: 1.374310654046673
Energy: 1.371647108686103
Energy: 1.8997428451347889
Energy: 1.3724719334483984
Energy: 1.3709623268633155
Energy: 1.3593264662780422
Energy: 1.3743168403990649
Energy: 1.372432562357663
Energy: 2.0374556085425715
Energy: 1.3699887328142009
Energy: 1.359115130974339
Energy: 1.3592428329166844
Energy: 1.374827829552848
Energy: 1.3698236037994866
Energy: 1.7112680998569654
Energy: 1.3494783753912916
Energy: 1.3410368307985707
Energy: 1.315357115986051
Energy: 1.2080191739261774
Energy: 1.3724795328317962
Energy: 2.0862250381058596
Energy: 1.3684341151432882
Energy: 1.3530557613210987
Energy: 1.2710375767637891
Energy: 1.3682184691464492
Energy: 1.3688045197561303
Energy: 1.8993621199935948
Energy: 1.3418521461533621
Energy: 1.207989885622306
Energy: 1.3144729320923683
Energy: 1.2094639843814021
Energy: 1.34768179412246
Energy: 2.030389628084059
Energy: 1.1749461481492909
Energy: 1.1441160471405338
Energy: 1.3003179060257661
Energy: 1.017529617920339
Energy: 1.3651973016738108
Energy: 2.029636292160921
Energy: 1.0186142566218166
Energy: 1.018516104221796
Energy: 1.1472891960743794
Energy: 1.0173229958102588
Energy: 1.2119546288678005
Energy: 2.0606306152422897
Energy: 1.329562029724765
Energy: 1.0184837840068528
Energy: 1.149363882696772
Energy: 1.1751110103608577
Energy: 1.3485099817188357
Energy: 2.028364165495854
Energy: 1.0208838344496147
Energy: 1.141179024084773
Energy: 1.1387613434018014
Energy: 1.0194753730934198
Energy: 1.0193574207089535
Energy: 2.0232376640221075
Energy: 1.0154432085480312
Energy: 1.0150553646175953
Energy: 1.0149625682460537
Energy: 1.0154789407141025
Energy: 1.3521231302860441
Energy: 2.0368095856824433
Energy: 1.0213719887743617
Energy: 1.016983229821724
Energy: 1.0201228498256236
Energy: 1.019426398856746
Energy: 1.0203862929368739
Energy: 1.8990899480492873
Energy: 1.019036219980286
Energy: 1.0164540688615586
Energy: 1.017080711840465
Energy: 1.018995370731938
Energy: 1.3301418044630442
Energy: 2.1888659255468657
Energy: 1.0150805587253153
Energy: 1.01484654817529
Energy: 1.0140357257846457
Energy: 1.0147845837184488
Energy: 1.3428523017012632

minimum gb energy = 1.007155293160381 eV
minimum distance =  2.26585051129395 Angstroms
sigma value = 67


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

Energy: 0.3223165010493115
Energy: 0.32272008034545285
Energy: 0.4726672057889828
Energy: 0.47175772039745884
Energy: 0.47273347346309497
Energy: 0.3224869111758808
Energy: 0.307359119040506
Energy: 0.45873028944493205
Energy: 0.45620456612554455
Energy: 0.45629793962450327
Energy: 0.4575949072051663
Energy: 0.4592016614768599
Energy: 1.8200602929238319
Energy: 0.45581131179673146
Energy: 0.455611376924546
Energy: 0.4569615995429733
Energy: 0.4555351702502898
Energy: 0.455575305727579
Energy: 0.3081401710005607
Energy: 0.4554978921884386
Energy: 0.4556247280144442
Energy: 0.45786625478203813
Energy: 0.4547026358477979
Energy: 0.30743010517312963
Energy: 0.3073773715899889
Energy: 0.455112681304185
Energy: 0.4550974645725256
Energy: 0.4557039808804267
Energy: 0.4543775191387013
Energy: 0.3073157342350611
Energy: 1.8194491662573045
Energy: 0.4552109040151113
Energy: 0.4558501150221584
Energy: 0.45740819990981085
Energy: 0.45550781084553216
Energy: 0.4552335296007088
Energy: 0.3076187716988126
Energy: 0.45633207942566967
Energy: 0.455867960016417
Energy: 0.45733719252982913
Energy: 0.45649134215651704
Energy: 0.45641702819320196

minimum gb energy = 0.3073157342350611 eV
minimum distance =  2.44276352925032 Angstroms
sigma value = 3


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

Energy: 2.2619174819389762
Energy: 1.1611161039978075
Energy: 0.9900620326653105
Energy: 1.1787556162673911
Energy: 0.9907343550464209
Energy: 1.2575422725716556
Energy: 1.859856380321334
Energy: 0.9943529413591735
Energy: 0.991238008818412
Energy: 0.9933435496833332
Energy: 0.9916785505547047
Energy: 1.1407284442208907
Energy: 1.9942449367661401
Energy: 0.9860971118368828
Energy: 0.9967621013227177
Energy: 0.9989766139523122
Energy: 0.9963845516650114
Energy: 0.986770524648236
Energy: 1.9238405347300784
Energy: 0.9913573695349025
Energy: 0.991060612576158
Energy: 0.9970165432479703
Energy: 0.9915190080053786
Energy: 1.0602530146666216
Energy: 2.046007000563171
Energy: 0.991056587022323
Energy: 0.9919658040185306
Energy: 1.1198848529191814
Energy: 0.9901799033571135
Energy: 1.0612928485307458
Energy: 2.123521296862109
Energy: 0.9873214543872922
Energy: 0.9906954464269664
Energy: 1.1314830840385268
Energy: 0.9905107252061349
Energy: 1.176273035748315
Energy: 1.8582976183563802
Energy: 1.1316858076569118
Energy: 1.1042658817310997
Energy: 1.111569210769728
Energy: 1.132325317306835
Energy: 1.1319622458925338
Energy: 2.030897186562714
Energy: 1.2392203563998503
Energy: 1.2435254664853592
Energy: 1.132704477143435
Energy: 1.2387376425268435
Energy: 1.2677543705614416
Energy: 1.8579852707932902
Energy: 1.1337905163925126
Energy: 1.13639706212402
Energy: 1.2736437701596426
Energy: 1.1324862373209486
Energy: 1.1358922094386945
Energy: 1.8523156791992161
Energy: 1.275695765948088
Energy: 1.2404272586889558
Energy: 1.3234977696202983
Energy: 1.1325209800239842
Energy: 1.2760474647767668
Energy: 2.0382666348663387
Energy: 1.273736028886787
Energy: 1.2767772762508807
Energy: 1.3982791966827217
Energy: 1.2763101707960098
Energy: 1.2736147850150237
Energy: 2.0371639949760856
Energy: 1.273343280592411
Energy: 1.2756923003086742
Energy: 1.2734417460870293
Energy: 1.2748072365079386
Energy: 1.273676755643006
Energy: 1.8256966405899682
Energy: 1.273869224527265
Energy: 1.2784888178831773
Energy: 1.2670291118633792
Energy: 1.2775298871743133
Energy: 1.2884012412965344
Energy: 1.843591989200621
Energy: 1.2835722198836086
Energy: 1.2735791935073528
Energy: 1.298250806263428
Energy: 1.292863930708153
Energy: 1.2834882016943343
Energy: 1.737832969985408
Energy: 1.2837906221097715
Energy: 1.3068690162949113
Energy: 1.2863389575160924
Energy: 1.2839478197971486
Energy: 1.2842640478583738
Energy: 1.6742988930639198
Energy: 1.2958617856055412
Energy: 1.2843049816622414
Energy: 1.2834118826876215
Energy: 1.2834079143110297
Energy: 1.2848862375056822
Energy: 1.6709432987281538
Energy: 1.2693503348746358
Energy: 1.28373333221522
Energy: 1.2839010066774523
Energy: 1.2868267793678356
Energy: 1.2704982091918338
Energy: 1.6711988560149953
Energy: 1.226056122411972
Energy: 1.2715088894526716
Energy: 1.3200590414813658
Energy: 1.2708687732493877
Energy: 1.2275644071895129
Energy: 1.669470862777184
Energy: 1.2699264397780947
Energy: 1.2701939339398187
Energy: 1.2769854688653999
Energy: 1.2697514156685505
Energy: 1.2248140789064728
Energy: 1.3947037023561346
Energy: 1.2251947121888986
Energy: 1.270116702861852
Energy: 1.2775063553791373
Energy: 1.269857088306364
Energy: 1.201160881621379
Energy: 1.3953961031362412
Energy: 1.201518742365493
Energy: 1.2316629153796899
Energy: 1.3050537111162013
Energy: 1.2026742535394737
Energy: 1.2010540031015924
Energy: 1.3904911961981805
Energy: 1.202320810050466
Energy: 1.2598530371761347
Energy: 1.2811193013751594
Energy: 1.20207700181107
Energy: 1.20691925591089
Energy: 1.1761262851332026
Energy: 1.2012554672093414
Energy: 1.2509209342606702
Energy: 1.2932432584215467
Energy: 1.2023723996133517
Energy: 1.2107837182013068
Energy: 1.174866158388707
Energy: 1.1628273330184977
Energy: 1.2592632205836907
Energy: 1.272858228355354
Energy: 1.2018176567687995
Energy: 1.1638966567179216
Energy: 1.1781564052258309
Energy: 0.9836777721927092
Energy: 0.9814401097488401
Energy: 1.282349143557892
Energy: 0.9832059759343317
Energy: 0.9855562806451397
Energy: 1.1738978863211122
Energy: 0.9835759878909827
Energy: 0.9856085121760597
Energy: 1.2578493669386341
Energy: 0.9854208002806534
Energy: 1.1570794910894553
Energy: 1.0467927150264873
Energy: 0.9867482797035211
Energy: 0.9848779152439789
Energy: 1.25805530590632
Energy: 0.9848477582243228
Energy: 0.9815835662704553
Energy: 1.0595095668158867
Energy: 0.9893162317858565
Energy: 0.9842107515775013
Energy: 1.2938952531151273
Energy: 0.9897328626694788
Energy: 0.9904725318143646
Energy: 1.056893909635166
Energy: 1.055949970822332
Energy: 1.2601809784357951
Energy: 1.282646348033177
Energy: 1.0690618712215356
Energy: 1.055815213480723
Energy: 1.1263176091689364
Energy: 1.0679682288870935
Energy: 1.2238905339764652
Energy: 1.267204963013807
Energy: 1.0631978637500288
Energy: 1.0699160929465856
Energy: 1.138473973802101
Energy: 1.070510736865948
Energy: 1.260180422076605
Energy: 1.2780528577197607
Energy: 1.0800169847825507
Energy: 1.0708082629058187
Energy: 1.1254193092408542
Energy: 1.0682323215457783
Energy: 1.086764581339407
Energy: 1.3057819090197382
Energy: 1.074207624551734
Energy: 1.0679365606860445
Energy: 1.1249543145072214
Energy: 1.0765064229918944
Energy: 1.2339864936015432
Energy: 1.2822694281435227
Energy: 1.2338471128214803
Energy: 1.0741366715818714
Energy: 1.3857944325571705
Energy: 1.076017517594015
Energy: 1.2337422870481491
Energy: 1.261132971759559
Energy: 1.2334782887814355
Energy: 1.233941572365024
Energy: 1.3804824405384482
Energy: 1.080965786983136
Energy: 1.2342640128884672
Energy: 1.3062877652979856
Energy: 1.077323231639236
Energy: 1.0779006049908417
Energy: 1.3815112549246225
Energy: 1.2351246410382624
Energy: 1.2728739584800153
Energy: 1.2772314374615823
Energy: 1.2730696405963282
Energy: 1.0774176400754047
Energy: 1.5355218475829486
Energy: 1.277711065532524
Energy: 1.2737602365293472
Energy: 1.2825787201468435
Energy: 1.2735186215256904
Energy: 1.2731678044540486
Energy: 1.5923419067236793
Energy: 1.2722373737093224
Energy: 1.2748389268260407
Energy: 1.2922487521151031
Energy: 1.2987717738341262
Energy: 1.273230962419572
Energy: 1.6860625188850487
Energy: 1.2753240640062264
Energy: 1.2850476318378836
Energy: 1.2964424922426188
Energy: 1.2944328154063456
Energy: 1.2731686527820323
Energy: 1.684315763100601
Energy: 1.2845564554464262
Energy: 1.2849539075987764
Energy: 1.2773936535216979
Energy: 1.2881840003850853
Energy: 1.284859404247975
Energy: 1.8894492803589262
Energy: 1.2845871390133223
Energy: 1.2841641762607163
Energy: 1.2837946917227856
Energy: 1.2871582625374545
Energy: 1.2842641928356004
Energy: 1.890604094642758
Energy: 1.284271636791435
Energy: 1.2839501513544813
Energy: 1.3579537902805916
Energy: 1.288201627821165
Energy: 1.2841640732421709
Energy: 1.9693186159665297
Energy: 1.3048655210717108
Energy: 1.2761877455987904
Energy: 1.3520587994592856
Energy: 1.27554934934385
Energy: 1.2859601159114586
Energy: 1.8322719033759458
Energy: 1.2746976368273364
Energy: 1.279352951548944
Energy: 1.2747841313155541
Energy: 1.2793008212578454
Energy: 1.287124953517333
Energy: 1.9482101071593958
Energy: 1.2757217984202023
Energy: 1.2748713890888725
Energy: 1.2612647244306943
Energy: 1.2740182087459564
Energy: 1.2791264898171093
Energy: 1.8341403012681743
Energy: 1.2748942495017495
Energy: 1.2449607288263904
Energy: 1.2622640451088991
Energy: 1.240096329727733
Energy: 1.2746684540219047
Energy: 1.9742921441540653
Energy: 1.135290880426764
Energy: 1.1376158635102247
Energy: 1.2686350371214088
Energy: 1.132750003928632
Energy: 1.2031184746938186
Energy: 2.059511340181212
Energy: 1.1329874695914794
Energy: 1.240064293100498
Energy: 1.2602429740774883
Energy: 1.132932978263562
Energy: 1.2484847329121747
Energy: 2.1121572075817903
Energy: 1.1326051025663888
Energy: 1.1060471671434933
Energy: 1.122449518879814
Energy: 1.1320809084086754
Energy: 1.2486111706792045
Energy: 1.9952499040633083
Energy: 1.105002642943893
Energy: 0.9902163518388495
Energy: 1.1182881119874029
Energy: 0.9907109982715553
Energy: 1.1436542048783362
Energy: 1.9066670439410511
Energy: 0.9906300202854093
Energy: 0.9902261893533123
Energy: 1.124082059039757
Energy: 0.9901727223986666
Energy: 1.141307351140106

minimum gb energy = 0.9814401097488401 eV
minimum distance =  2.28128934924739 Angstroms
sigma value = 81


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

Energy: 2.3701474601755317
Energy: 1.4234173035245983
Energy: 1.108711866720959
Energy: 1.3105809902791423
Energy: 1.1092264653867896
Energy: 1.48268242142719
Energy: 1.9046398754244962
Energy: 1.1103994335623537
Energy: 1.1123212075777367
Energy: 1.1085990995198798
Energy: 1.1085047469060672
Energy: 1.3092565596796382
Energy: 1.8862323338465423
Energy: 1.1107972590207509
Energy: 1.1144508734992546
Energy: 1.11491346588312
Energy: 1.1146425531772848
Energy: 1.3171390431918726
Energy: 1.9087553383637637
Energy: 1.2666787315025738
Energy: 1.110789429667053
Energy: 1.1088401883995134
Energy: 1.1104585976725156
Energy: 1.4436367299153736
Energy: 1.907898492828764
Energy: 1.1092061442366885
Energy: 1.1081073736511133
Energy: 1.286439122531493
Energy: 1.1088891778248289
Energy: 1.4432835506776502
Energy: 1.8881674603490872
Energy: 1.1097089440054215
Energy: 1.1071040458772992
Energy: 1.3043779114899352
Energy: 1.1082672386469672
Energy: 1.3190401888938659
Energy: 1.6862528288722118
Energy: 1.4448909689309384
Energy: 1.2689282362044283
Energy: 1.2810155487511814
Energy: 1.269908177229276
Energy: 1.4457644390744313
Energy: 1.8703486622305479
Energy: 1.4462519470299893
Energy: 1.4579049315927843
Energy: 1.3076188977565877
Energy: 1.4457248167260743
Energy: 1.4726343960626969
Energy: 1.9157091483101687
Energy: 1.3189084218892002
Energy: 1.3083189854022013
Energy: 1.4901036686563445
Energy: 1.3084492710536937
Energy: 1.3089815198567714
Energy: 1.8848801349429962
Energy: 1.474324802434297
Energy: 1.4445742733687985
Energy: 1.4862576671834706
Energy: 1.4448151542220753
Energy: 1.4746653770388616
Energy: 1.6583602615321464
Energy: 1.4731677632806441
Energy: 1.4632946479705828
Energy: 1.4971163639608231
Energy: 1.473280180541854
Energy: 1.473323614895711
Energy: 1.677894642920641
Energy: 1.4723980699264774
Energy: 1.4727426466443228
Energy: 1.4676275049182086
Energy: 1.4741156069522925
Energy: 1.4726983061447747
Energy: 1.6667600356140637
Energy: 1.4728328865828504
Energy: 1.4731571531563818
Energy: 1.4680452816121277
Energy: 1.4730022592347491
Energy: 1.4461117972229556
Energy: 1.6650569941858844
Energy: 1.4455342146166095
Energy: 1.4745718160472066
Energy: 1.5119530839126059
Energy: 1.476796498289168
Energy: 1.4461293944527813
Energy: 1.665275056199102
Energy: 1.3092677743237617
Energy: 1.3086430417906096
Energy: 1.512335481934109
Energy: 1.3101471366120907
Energy: 1.3098445833134393
Energy: 1.281265013630429
Energy: 1.4457131778341823
Energy: 1.4692947226612305
Energy: 1.4680750075558742
Energy: 1.4461537973192387
Energy: 1.4589311456687346
Energy: 1.2793528976301543
Energy: 1.268647038427157
Energy: 1.3095039693467194
Energy: 1.478777519558342
Energy: 1.3094769583398231
Energy: 1.2688473185621374
Energy: 1.2852784606401302
Energy: 1.1070533417275192
Energy: 1.1031775922170097
Energy: 1.4889561942232838
Energy: 1.1092211630800177
Energy: 1.1112156985373962
Energy: 1.2858145637189882
Energy: 1.1078273997983619
Energy: 1.41158716310996
Energy: 1.4672769427285244
Energy: 1.1090906546482309
Energy: 1.1085153981045148
Energy: 1.1083456603834365
Energy: 1.1081171254694382
Energy: 1.4116100908906926
Energy: 1.4671223251375822
Energy: 1.266791294280456
Energy: 1.1079233946515166
Energy: 1.1110080600939916
Energy: 1.1158419843333267
Energy: 1.1046575184599186
Energy: 1.4772910193278537
Energy: 1.1075714745427334
Energy: 1.1204657019018287
Energy: 1.1079957200764665
Energy: 1.1077364513740033
Energy: 1.115784504344737
Energy: 1.4735803778967917
Energy: 1.1078094835594012
Energy: 1.108700368945656
Energy: 1.113389225863835
Energy: 1.269301662266471
Energy: 1.4567680627168373
Energy: 1.460176903849314
Energy: 1.2689229544804537
Energy: 1.1141603167256489
Energy: 1.2852387835355792
Energy: 1.1071259575859078
Energy: 1.1034168134476734
Energy: 1.4736942401983488
Energy: 1.1081043838387514
Energy: 1.1072550611639431
Energy: 1.2843362675171899
Energy: 1.1086244106603353
Energy: 1.3187085869296995
Energy: 1.4901648353881414
Energy: 1.2674024291896642
Energy: 1.1089608567369078
Energy: 1.282900782491221
Energy: 1.3101371294436246
Energy: 1.4447067874037702
Energy: 1.4719429468252951
Energy: 1.444671968592396
Energy: 1.1092923310300937
Energy: 1.4726968194682304
Energy: 1.4447982622227755
Energy: 1.44469098063958
Energy: 1.4717694208921963
Energy: 1.4443626320545728
Energy: 1.446374671067967
Energy: 1.4556586596699836
Energy: 1.3082915832474489
Energy: 1.4454458633388032
Energy: 1.44530543648593
Energy: 1.3095929447400054
Energy: 1.3095557985880972
Energy: 1.6671587477622845
Energy: 1.445224551018067
Energy: 1.472765551274619
Energy: 1.4896283639209071
Energy: 1.472891938238357
Energy: 1.445582400117484
Energy: 1.6737541705208363
Energy: 1.4900451226879803
Energy: 1.4743289980244512
Energy: 1.4439634857630272
Energy: 1.4735769538135912
Energy: 1.4748800346418098
Energy: 1.865497900007164
Energy: 1.473646557896352
Energy: 1.4893697433466966
Energy: 1.4872972762428847
Energy: 1.4736287733909779
Energy: 1.468811249787296
Energy: 1.6716966130044464
Energy: 1.4726214687960137
Energy: 1.4453261416578203
Energy: 1.4871851121083814
Energy: 1.4733919002947922
Energy: 1.4726682249002978
Energy: 1.879821757323133
Energy: 1.4452295969086506
Energy: 1.3093585324938617
Energy: 1.4451665505751798
Energy: 1.31013205803712
Energy: 1.473541422620304
Energy: 1.4625361878285814
Energy: 1.4449494755707164
Energy: 1.4445057447805538
Energy: 1.4450051499829193
Energy: 1.4450585379303038
Energy: 1.4673731301682928
Energy: 1.8592752687443352
Energy: 1.4450587630574558
Energy: 1.109274819077545
Energy: 1.2833242899279063
Energy: 1.3097749423893432
Energy: 1.4680046259168897
Energy: 1.8909092599712316
Energy: 1.3193352957655906
Energy: 1.1092655393422792
Energy: 1.2817433994466307
Energy: 1.266565833970688
Energy: 1.3193515752796134
Energy: 1.686142266543609
Energy: 1.1035623132309549
Energy: 1.1073709281796085
Energy: 1.3032255986207992
Energy: 1.1076610637593054
Energy: 1.317840278104984
Energy: 1.8586428250607472
Energy: 1.26821271978976
Energy: 1.2692035305597562
Energy: 1.1197262116870628
Energy: 1.2685818736551995
Energy: 1.469684903543308

minimum gb energy = 1.1031775922170097 eV
minimum distance =  2.30601630513894 Angstroms
sigma value = 43


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

Energy: 2.228316166163687
Energy: 1.582073074772743
Energy: 1.1948042779122283
Energy: 1.1950034489764023
Energy: 1.1966179533405517
Energy: 1.6411417332295508
Energy: 1.651624338495854
Energy: 1.194263461953515
Energy: 1.1962239038387672
Energy: 1.1897886213458297
Energy: 1.1963209693779948
Energy: 1.6008605778461202
Energy: 1.686401723407319
Energy: 1.194565750222724
Energy: 1.2018763078419958
Energy: 1.200162815540542
Energy: 1.2014025847903493
Energy: 1.1878325812362251
Energy: 1.9078182252895943
Energy: 1.3928900292506066
Energy: 1.1925250171499584
Energy: 1.1952216297711669
Energy: 1.1931598013825393
Energy: 1.597218674063829
Energy: 1.9092878676403084
Energy: 1.1949568960310837
Energy: 1.1937284406281505
Energy: 1.4369522719428947
Energy: 1.393692826422936
Energy: 1.5971025195530586
Energy: 1.6579171117060592
Energy: 1.1886635824375027
Energy: 1.193179693016011
Energy: 1.1955055676986235
Energy: 1.1954149167067618
Energy: 1.6237767370386351
Energy: 1.688229912599221
Energy: 1.600139769059903
Energy: 1.3951438887380903
Energy: 1.4144653521793995
Energy: 1.3955867710153518
Energy: 1.6002850028951605
Energy: 1.8921277051446632
Energy: 1.6005730132727307
Energy: 1.618606257986605
Energy: 1.4416810088098715
Energy: 1.5999594930045171
Energy: 1.6010346669341051
Energy: 1.6867143007547363
Energy: 1.4511361211680298
Energy: 1.4420274899132464
Energy: 1.5667040914973287
Energy: 1.4433452805983982
Energy: 1.6005901503973567
Energy: 1.6595885349523531
Energy: 1.5999390919201069
Energy: 1.599504276573179
Energy: 1.681616332557119
Energy: 1.6003030767049211
Energy: 1.600164044594787
Energy: 1.658644469572405
Energy: 1.6006384296139102
Energy: 1.600113067192998
Energy: 1.4513233217394783
Energy: 1.5999054789626386
Energy: 1.4424618805580671
Energy: 1.659178408522559
Energy: 1.5999477660082575
Energy: 1.599577536839426
Energy: 1.6138473960364734
Energy: 1.5996190924021956
Energy: 1.4433981059676362
Energy: 1.4166183074356398
Energy: 1.4435226975212634
Energy: 1.6137462079692138
Energy: 1.5663854888320226
Energy: 1.6001317507939619
Energy: 1.1933984331223189
Energy: 1.4151621677756363
Energy: 1.3924716353176614
Energy: 1.6222134181274948
Energy: 1.446030152113912
Energy: 1.394403330997932
Energy: 1.1941914265173876
Energy: 1.4165879190361952
Energy: 1.1894540587981868
Energy: 1.1877481087690998
Energy: 1.5998624119651874
Energy: 1.1907183434040673
Energy: 1.1893861670560706
Energy: 1.1929908466113428
Energy: 1.395346998591652
Energy: 1.5685575149938347
Energy: 1.614488840419898
Energy: 1.3947282152685276
Energy: 1.207674044130633
Energy: 1.195959317783015
Energy: 1.1943649867817776
Energy: 1.5763337456245248
Energy: 1.6038376422202403
Energy: 1.1938946805808297
Energy: 1.1943542012398478
Energy: 1.199259875239404
Energy: 1.2020504167719588
Energy: 1.187947168939221
Energy: 1.4428012934924523
Energy: 1.198140656305147
Energy: 1.2024467734562354
Energy: 1.1900013712489454
Energy: 1.1923789060002217
Energy: 1.1941397982241737
Energy: 1.4395587490620836
Energy: 1.3930665747157116
Energy: 1.1938697799353932
Energy: 1.414956912533327
Energy: 1.3937395592407593
Energy: 1.3930799408684835
Energy: 1.5970063294070957
Energy: 1.392681379053147
Energy: 1.1932267570951578
Energy: 1.4179438803221227
Energy: 1.1945614204716803
Energy: 1.1879350621998452
Energy: 1.4428674677803548
Energy: 1.1940887990747222
Energy: 1.1902350343400416
Energy: 1.4123219853762963
Energy: 1.3941318871309025
Energy: 1.600651961653036
Energy: 1.6184738686210915
Energy: 1.4421325924965787
Energy: 1.3941302773839694
Energy: 1.4408815412073206
Energy: 1.4431476017789322
Energy: 1.618418473907926
Energy: 1.4406849011111966
Energy: 1.6178401332551797
Energy: 1.4291928857410856
Energy: 1.6372558424782568
Energy: 1.4426674659723695
Energy: 1.4514818212941054
Energy: 1.4516635040664474
Energy: 1.6008534810163255
Energy: 1.4424828107600807
Energy: 1.66027654079269
Energy: 1.599579938719165
Energy: 1.6001374218784368
Energy: 1.4520933961738611
Energy: 1.5995697705756065
Energy: 1.4428439502204717
Energy: 1.6570915895001925
Energy: 1.5995660165237964
Energy: 1.4431317046266152
Energy: 1.396310228759933
Energy: 1.6004161145256453
Energy: 1.6008600590403261
Energy: 1.636900890480166
Energy: 1.5996075204444733
Energy: 1.600533681613745
Energy: 1.3964549462949725
Energy: 1.6003776526616271
Energy: 1.5996258245443205
Energy: 1.6360203718076096
Energy: 1.6004644195185245
Energy: 1.193516586658788
Energy: 1.4176130926726824
Energy: 1.4448942720604794
Energy: 1.6141578307207742
Energy: 1.6871987109100581
Energy: 1.6026325243368886
Energy: 1.3927047309229996
Energy: 1.4142203053599212
Energy: 1.3927009586499826
Energy: 1.4512385765726799
Energy: 1.6863087459324761
Energy: 1.193192942282893
Energy: 1.1905266265743852
Energy: 1.1953669162164116
Energy: 1.1921537540493616
Energy: 1.6226015738198638
Energy: 2.144881790351397
Energy: 1.3939726178339382
Energy: 1.3950162731618023
Energy: 1.1923114033980784
Energy: 1.3942307932787845
Energy: 1.5679941310398575

minimum gb energy = 1.1877481087690998 eV
minimum distance =  2.28491325716729 Angstroms
sigma value = 57


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

Energy: 2.032058641715989
Energy: 1.8088566746231216
Energy: 1.2972018308952946
Energy: 1.3109455912074206
Energy: 1.3114781801370332
Energy: 1.8091683841676411
Energy: 1.6322912703466987
Energy: 1.3039102153215116
Energy: 1.2967861382714891
Energy: 1.2982319807922689
Energy: 1.2970000475062478
Energy: 1.811890667855965
Energy: 1.6242168593521384
Energy: 1.296056459299459
Energy: 1.29944711092604
Energy: 1.3042006156047798
Energy: 1.2999553890841529
Energy: 1.803191234675805
Energy: 1.6103249057161775
Energy: 1.570283202660774
Energy: 1.304783126450214
Energy: 1.3062653494697831
Energy: 1.3049582390641787
Energy: 1.591748267831755
Energy: 1.6035135215472995
Energy: 1.5645883656252424
Energy: 1.3024912252697087
Energy: 1.302162383167643
Energy: 1.5654386351011689
Energy: 1.5926141856904974
Energy: 1.624130559095219
Energy: 1.5636863690736942
Energy: 1.5648167346505153
Energy: 1.3021928913229046
Energy: 1.5645028818972033
Energy: 1.6378680106485521
Energy: 1.6198527204435351
Energy: 1.8158130654910796
Energy: 1.5712506463698497
Energy: 1.3053495688485495
Energy: 1.5709214655566857
Energy: 1.6147750387609516
Energy: 1.6031792450989293
Energy: 1.806386461040889
Energy: 1.6105646925278148
Energy: 1.3070564797359152
Energy: 1.636520172092408
Energy: 1.809074206759646
Energy: 1.6325379399243256
Energy: 1.609882159450706
Energy: 1.282725268047188
Energy: 1.3033060431542391
Energy: 1.8075319438237423
Energy: 1.6112743200810065
Energy: 1.6199656670081233
Energy: 1.5718833231965474
Energy: 1.810258502715353
Energy: 1.9286643045823764
Energy: 1.816727187948636
Energy: 1.3118107934100425
Energy: 1.618934324197604
Energy: 1.5630075724649992
Energy: 1.8288895390792377
Energy: 1.6250349921254286
Energy: 1.563433822695649
Energy: 1.2970893962586985
Energy: 1.6205987723571802
Energy: 1.563708538815357
Energy: 1.5631012835910736
Energy: 1.9425654303152506
Energy: 1.563567107234738
Energy: 1.3091788508390128
Energy: 1.3184798557975534
Energy: 1.3104002954088874
Energy: 1.791989116970493
Energy: 1.7926238030871142
Energy: 1.5656904444012067
Energy: 1.3109556432375185
Energy: 1.2980779253286518
Energy: 1.2987878708887264
Energy: 1.80085643997399
Energy: 1.6554988034842395
Energy: 1.3034790881338594
Energy: 1.2988999410191042
Energy: 1.296809568829021
Energy: 1.3014122254284106
Energy: 1.2992173295546796
Energy: 1.3126600501718888
Energy: 1.303522268560782
Energy: 1.3002846193074458
Energy: 1.3108363295316243
Energy: 1.3114759102142581
Energy: 1.5901848359377788
Energy: 1.59148712192486
Energy: 1.5719577357144576
Energy: 1.3216253177439996
Energy: 1.617778239736965
Energy: 1.564060561866962
Energy: 1.3030962646076747
Energy: 1.3109669365497165
Energy: 1.5639876606217697
Energy: 1.3002756627621868
Energy: 1.6184176472216305
Energy: 1.5648074266183873
Energy: 1.8077145644967474
Energy: 1.625501163937313
Energy: 1.5635176654492842
Energy: 1.3022471547225138
Energy: 1.3023293158251794
Energy: 1.6101188159105557
Energy: 1.8119722124892788
Energy: 1.6137417743814715
Energy: 1.8050329136657441
Energy: 1.3209209249835854
Energy: 1.6205036849897456
Energy: 1.8145710306501526
Energy: 1.8152821881124797
Energy: 1.613443221865229
Energy: 1.805152936604416
Energy: 1.6099762117907364
Energy: 1.9285014498259492
Energy: 1.8057392621454909
Energy: 1.610220391249057
Energy: 1.6227758114491675
Energy: 1.6099074622781733
Energy: 1.2796471741710649
Energy: 1.621065262774155
Energy: 1.8110476563569666
Energy: 1.5693522697562414
Energy: 1.6186357739170647
Energy: 1.5697382980881622
Energy: 1.6082059711677676
Energy: 1.9468639453194103
Energy: 1.5681569574828693
Energy: 1.3047697200527382
Energy: 1.2979565384349214
Energy: 1.2978302168105549
Energy: 1.8360583925481004
Energy: 1.280206125791839
Energy: 1.565124372521029
Energy: 1.3101835022777897
Energy: 1.3069687512453736
Energy: 1.5707992184130848
Energy: 1.7921149779675067

minimum gb energy = 1.2796471741710649 eV
minimum distance =  2.28609250185539 Angstroms
sigma value = 17


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

Energy: 2.683364800343237
Energy: 1.498006185933021
Energy: 1.4213317655762512
Energy: 1.6495596905382388
Energy: 1.4222761536570303
Energy: 1.4963276918308208
Energy: 1.395951917531644
Energy: 1.4224597929375395
Energy: 1.4200066825667097
Energy: 1.4230934589478978
Energy: 1.4206883860740134
Energy: 1.4280362676836857
Energy: 1.4201351297206282
Energy: 1.538703476503808
Energy: 1.417267453046271
Energy: 1.4190854894970064
Energy: 1.4174909878307134
Energy: 1.4221922908684999
Energy: 1.415500210641888
Energy: 1.4260465824413577
Energy: 1.4296190640902715
Energy: 1.4230452068990842
Energy: 1.426728021962226
Energy: 1.4241551123830238
Energy: 1.4177127382372834
Energy: 1.5511264848470963
Energy: 1.4253086261500054
Energy: 1.4459573905145942
Energy: 1.4273688214446896
Energy: 1.5455630774155866
Energy: 1.4189723335869449
Energy: 1.5343937589158005
Energy: 1.548277965403337
Energy: 1.3992663944547759
Energy: 1.5505192917965294
Energy: 1.4511841093750408
Energy: 1.4474725985882615
Energy: 1.424662706955125
Energy: 1.4247506775109338
Energy: 1.443877630695222
Energy: 1.5473233252891117
Energy: 1.425301304134088
Energy: 1.4439554004110091
Energy: 1.5483509694306934
Energy: 1.4430478233198456
Energy: 1.443818228063188
Energy: 1.5491766269091962
Energy: 1.4200593908323125
Energy: 1.444652176881705
Energy: 1.4271512199325984
Energy: 1.3956444551316183
Energy: 1.396161704150366
Energy: 1.427605476342386
Energy: 1.4433121561423319
Energy: 1.4328138572236615
Energy: 1.4239838646355607
Energy: 1.5456151966098999
Energy: 1.3958390423832594
Energy: 1.4250372777987925
Energy: 1.4230940358787922
Energy: 1.414232024024365
Energy: 1.4166285044248685
Energy: 1.5496455251220704
Energy: 1.4205126490826203
Energy: 1.4176980806529484
Energy: 1.4170700813620143
Energy: 1.4223008006318596
Energy: 1.425570978758305
Energy: 1.5512765517344065
Energy: 1.3938459847986364
Energy: 1.4268084496367228
Energy: 1.425494624391008
Energy: 1.4433072203790274
Energy: 1.4242389829881972
Energy: 1.4255683871815825
Energy: 1.3939577077138443
Energy: 1.426938345331836
Energy: 1.4436246784270743
Energy: 1.3984036479102373
Energy: 1.5501670802482117
Energy: 1.537593180920689
Energy: 1.4478583376915843
Energy: 1.543059588638335
Energy: 1.3971416562416243
Energy: 1.4472959689159348
Energy: 1.4260853407835459
Energy: 1.4279568527602498
Energy: 1.4444608200085673
Energy: 1.5472186142292734
Energy: 1.4263112444718729
Energy: 1.4466669948685749
Energy: 1.53478798469127
Energy: 1.5480286969819341
Energy: 1.4197520304514355
Energy: 1.5496722108112697
Energy: 1.4449167008095145
Energy: 1.3953136892474833
Energy: 1.5481126279415334
Energy: 1.426770726993928
Energy: 1.4452351532399734
Energy: 1.4281129927481722
Energy: 1.3974867708144105

minimum gb energy = 1.3938459847986364 eV
minimum distance =  2.3047038879719 Angstroms
sigma value = 17


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

Energy: 1.9575434239075675
Energy: 1.4741696841605483
Energy: 1.480693179244722
Energy: 1.4920862189505688
Energy: 1.4820951513774359
Energy: 1.4927201154447054
Energy: 1.519625242688088
Energy: 1.4797811178831504
Energy: 1.4793091185889538
Energy: 1.4824096483794553
Energy: 1.4799736720499352
Energy: 1.4838038069952626
Energy: 1.716589147255431
Energy: 1.475419786021731
Energy: 1.4769748157425597
Energy: 1.4789001069387198
Energy: 1.4769376597750594
Energy: 1.4345863746255494
Energy: 2.1538014826744383
Energy: 1.726533076587439
Energy: 1.4791323286787124
Energy: 1.4843172763286858
Energy: 1.4747958025617354
Energy: 1.7291664049624003
Energy: 2.158205484588841
Energy: 1.7306577780718098
Energy: 1.729926096628529
Energy: 1.4730329702865
Energy: 1.730982627163428
Energy: 1.735335308231333
Energy: 1.4769153459188729
Energy: 1.4817432133624664
Energy: 1.9798258716098833
Energy: 1.4315267508666354
Energy: 1.7312019176220426
Energy: 1.4752980910899225
Energy: 1.4822548609592445
Energy: 1.4800366590250402
Energy: 1.7295192544684672
Energy: 1.5666473945616985
Energy: 1.480240361180329
Energy: 1.4796658141889665
Energy: 1.478712365710818
Energy: 1.4806256564880638
Energy: 1.484308886236393
Energy: 1.4916043634554856
Energy: 1.4807850573244479
Energy: 1.4803024811496162
Energy: 1.4841369495025083
Energy: 1.4880458843177604
Energy: 1.4308966931381335
Energy: 1.7120972256374156
Energy: 1.4849450664742385
Energy: 1.4861480226793389
Energy: 1.7367188364812685
Energy: 1.4830363495775827
Energy: 1.4812324521680056
Energy: 1.5621714775825528
Energy: 1.4824104679892285
Energy: 1.4830620143724849
Energy: 1.7292896450269026
Energy: 1.4815975256830445
Energy: 1.743413258026511
Energy: 1.4789948566472892
Energy: 1.4762835125178393
Energy: 1.479538026548461
Energy: 1.7391176614714157
Energy: 1.4852040779280808
Energy: 1.4379076633935257
Energy: 1.4394401684020153
Energy: 1.7434879973163588
Energy: 1.4881007288113806
Energy: 1.5708007099062147
Energy: 1.7443437668762927
Energy: 1.4345651370687664
Energy: 1.4379522977634138
Energy: 1.7425954949572147
Energy: 1.7456236422560178
Energy: 2.3569242797769765
Energy: 1.43526151619341
Energy: 1.4742505558962444
Energy: 1.4437251391787005
Energy: 1.4686037396172122
Energy: 1.4276861261931304
Energy: 1.7995822853521528
Energy: 1.4358014432273112
Energy: 1.4377423889201582
Energy: 1.4488684615409069
Energy: 1.4379462526890021
Energy: 1.7436869191525977
Energy: 1.5665019687837431
Energy: 1.4316415286111983
Energy: 1.4318066201962192
Energy: 1.4323924379875104
Energy: 1.4317086136003174
Energy: 1.4931433150561149
Energy: 2.1554789056944212
Energy: 1.442053637089685
Energy: 1.4403194081495365
Energy: 1.451655936794881
Energy: 1.4412251457742888
Energy: 1.7279158043971943
Energy: 2.1544391096643385
Energy: 1.7469406526977616
Energy: 1.4426563600955227
Energy: 1.5667772249268495
Energy: 1.445878776876669
Energy: 1.729123445137625
Energy: 1.7326970379812272
Energy: 1.5769373073971331
Energy: 2.0384706864140183
Energy: 1.439808134109639
Energy: 2.037241131859765
Energy: 1.4823246622498598
Energy: 1.7423032845099384
Energy: 1.4824368492779685
Energy: 1.4449512423125974
Energy: 1.7187241952010381
Energy: 1.771823397140644
Energy: 1.4834148113456016
Energy: 1.7414932787978794
Energy: 1.7227920853635548
Energy: 1.7738014971584428
Energy: 1.7172597853109641
Energy: 1.7226124062558203
Energy: 1.4786253821929036
Energy: 1.592112882025968
Energy: 1.481942398277867
Energy: 1.4363247921088451
Energy: 1.517656482166446
Energy: 1.4831960827030448
Energy: 1.4846891781102383
Energy: 1.492802559795671
Energy: 1.482734743450315
Energy: 1.4833079481414537
Energy: 1.946122122367454
Energy: 1.4793299372000899
Energy: 1.4829918230944845
Energy: 1.4774282941476091
Energy: 1.4773817316606255
Energy: 1.728384797686868
Energy: 1.485230130640374
Energy: 1.4765725096294506
Energy: 1.4774688505573013
Energy: 1.4773773918293231
Energy: 1.4815166772458028
Energy: 1.7379073734515205
Energy: 1.9232474261169044
Energy: 1.7346812939845349
Energy: 1.4803297518211138
Energy: 1.4752762548887581
Energy: 1.732143502251914
Energy: 1.9931116283558796
Energy: 1.6959715722300563
Energy: 1.7363533908116309
Energy: 1.4864754476161857
Energy: 2.365791373732485
Energy: 1.727775073251212
Energy: 1.4839311881696367
Energy: 1.4762006884422592
Energy: 1.731059242431278
Energy: 1.4319596324355877
Energy: 2.3637337838395194
Energy: 1.5451601113656699
Energy: 1.482379056659206
Energy: 1.4797040202139413
Energy: 1.4865334628306743
Energy: 1.7337026778993019
Energy: 1.4883757274080844
Energy: 1.478338334227188
Energy: 1.4781380414888847
Energy: 1.4778043582085636
Energy: 1.4780793994969035
Energy: 1.4439766319107037
Energy: 2.150995203900949
Energy: 1.485513419394004
Energy: 1.4850743136026123
Energy: 1.4943277757003217
Energy: 1.4847506538896744
Energy: 1.7420657766630854
Energy: 2.152780946369134
Energy: 1.4814042806554497
Energy: 1.4866039356662564
Energy: 1.5922300634059734
Energy: 1.4829511267340727
Energy: 1.7386634809983976
Energy: 1.480655234192711
Energy: 1.484116304372957
Energy: 1.7252718719593039
Energy: 1.743109810907475
Energy: 1.7232150500852002
Energy: 1.444518720512421
Energy: 2.1579290333050984
Energy: 1.7455878150051403
Energy: 1.4830179215136772
Energy: 1.485700309058603
Energy: 1.4805950117370672
Energy: 1.4445181095602897
Energy: 2.1601673738194904
Energy: 2.0358602935241445
Energy: 1.7661911746227617
Energy: 1.5563345044760752
Energy: 1.9523795401763528
Energy: 2.036074894782512
Energy: 1.569120509160907
Energy: 1.4432811091809075
Energy: 1.9849228547155133
Energy: 1.426731959201828
Energy: 1.7455882707616703
Energy: 1.442022551834821
Energy: 1.4405807516213682
Energy: 1.4423162241589749
Energy: 1.7432288003275702
Energy: 1.9023018240783964
Energy: 1.4429274418962057
Energy: 1.4415613301674977
Energy: 1.4317327937430535
Energy: 1.4311607462330116
Energy: 1.4330750456809858
Energy: 1.5655018925808535
Energy: 1.4311845071098535
Energy: 1.4317208940291326
Energy: 1.4365735058366482
Energy: 1.438811012037432
Energy: 1.7420172565328909
Energy: 1.4875695513170388
Energy: 1.4440642126880707
Energy: 1.4381236434982752
Energy: 1.4349846003074758
Energy: 1.4733749837707226
Energy: 1.7555287053079542
Energy: 1.4745798724140406
Energy: 1.44575565875067
Energy: 1.5675756491165482
Energy: 1.9512540918597139
Energy: 1.4370593841401837
Energy: 2.0341124554785783
Energy: 1.5678117632424167
Energy: 1.9546987517986896
Energy: 1.4364590075701
Energy: 2.1590082415972573
Energy: 1.4376335415935406
Energy: 1.4852105796364952
Energy: 1.7385886043724839
Energy: 1.7740622359895728
Energy: 1.4437923901854723
Energy: 1.7174410272491454
Energy: 1.7734018261720192
Energy: 1.4785138422576005
Energy: 1.7420440394394525
Energy: 1.4826035904190926
Energy: 1.446931025378608
Energy: 1.9439146300233798
Energy: 1.4830762521672198
Energy: 1.4824662800644988
Energy: 1.7428944745567911
Energy: 1.4812661511191751
Energy: 1.4386544555870242

minimum gb energy = 1.426731959201828 eV
minimum distance =  2.28548781768705 Angstroms
sigma value = 57


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

Energy: 2.346172018069494
Energy: 1.4702080850340271
Energy: 1.4962249673068009
Energy: 1.7707226720654765
Energy: 1.526977478385653
Energy: 2.2552920241895342
Energy: 1.6123214764820137
Energy: 1.4927441507934638
Energy: 1.4923459523911229
Energy: 1.4967801413651034
Energy: 1.4920034057335536
Energy: 1.8521911147347527
Energy: 1.5233130389543528
Energy: 1.8123498021216657
Energy: 1.4898320842544617
Energy: 1.4913416465934737
Energy: 1.491415120368144
Energy: 1.5334237992570017
Energy: 1.9106562181431768
Energy: 2.1386737072548416
Energy: 1.4969322462341013
Energy: 1.4859779479537134
Energy: 1.496786228076192
Energy: 1.8164050054182006
Energy: 1.9119304698005675
Energy: 1.816015414392691
Energy: 1.8083476289327398
Energy: 1.8584865296572521
Energy: 1.8203423100467515
Energy: 1.815840943781172
Energy: 1.4940767849471133
Energy: 1.498175622436697
Energy: 2.1236624207794614
Energy: 1.4255249290322176
Energy: 1.8049644032298313
Energy: 1.4975265295837503
Energy: 1.496910015514746
Energy: 1.4926101822373585
Energy: 1.8190959694052369
Energy: 1.9208010852739683
Energy: 1.4923588228950246
Energy: 1.4928893280124698
Energy: 1.4910395361576443
Energy: 1.491878411108173
Energy: 1.8514204821516493
Energy: 1.4845510896636722
Energy: 1.490783115373396
Energy: 1.4918374734082407
Energy: 1.4945102525132397
Energy: 1.4967020104095383
Energy: 2.136265190490343
Energy: 1.9158053771343468
Energy: 1.4964953486350325
Energy: 1.4999318893109947
Energy: 1.911366966730697
Energy: 1.4955713844292016
Energy: 1.853264896574256
Energy: 1.9106971657021685
Energy: 1.8533017107823462
Energy: 1.4964741164145146
Energy: 1.551145733846311
Energy: 1.8560691376444607
Energy: 1.8464683662365104
Energy: 1.5235364496036592
Energy: 1.6466218805986161
Energy: 1.8523132302103513
Energy: 1.522808115782418
Energy: 1.4917686662741383
Energy: 1.4944234148221218
Energy: 1.4980493808137265
Energy: 1.855695587010738
Energy: 1.4951798070914821
Energy: 1.5365807507190439
Energy: 1.851888522036438
Energy: 1.4927014405292358
Energy: 1.496861819824158
Energy: 1.8570950961515136
Energy: 1.8684069547159876
Energy: 2.255924694376224
Energy: 1.495168960231626
Energy: 1.522732468705386
Energy: 1.5249409810378667
Energy: 1.496705326469597
Energy: 1.4317038557055848
Energy: 1.6127013473035676
Energy: 1.4934588833317322
Energy: 1.4929241797192905
Energy: 1.5024383843843951
Energy: 1.4931382736255985
Energy: 1.8522974018276637
Energy: 1.5230920148790619
Energy: 1.4912777555910859
Energy: 1.489641179166878
Energy: 1.4895342600227943
Energy: 1.4909106843609026
Energy: 1.5346292221555022
Energy: 1.9093495815689976
Energy: 2.137036732541042
Energy: 1.4959801554283747
Energy: 1.4862501882444699
Energy: 1.4966168104982547
Energy: 1.8148376496446965
Energy: 1.9122602915009401
Energy: 2.137656204077781
Energy: 1.8091004481634347
Energy: 1.5244085646975627
Energy: 1.8117899240521875
Energy: 1.814726152835112
Energy: 1.492893759224018
Energy: 1.4982605639711886
Energy: 2.1240455337870436
Energy: 1.4239096025072155
Energy: 1.8176402130486238
Energy: 1.4975606798502135
Energy: 1.5008342859934856
Energy: 1.491673837519287
Energy: 1.8181491187483083
Energy: 1.9182164719405923
Energy: 1.4892543466687815
Energy: 1.492083002803626
Energy: 1.490884768887146
Energy: 1.4907259566687938
Energy: 1.850293690967782
Energy: 1.4846902679049458
Energy: 1.489429775604605
Energy: 1.4907915354888626
Energy: 1.4939018433957068
Energy: 1.4955503265442645
Energy: 1.8132047847205575
Energy: 1.488883043012236
Energy: 1.497143404576612
Energy: 1.495619534581513
Energy: 1.5163580313636018
Energy: 1.4954341563668432
Energy: 1.8538536561302412
Energy: 1.9170682540297672
Energy: 1.8535735695329112
Energy: 1.4948864901668284
Energy: 1.5501080215197056
Energy: 1.8551686611303775
Energy: 1.6333060953163985
Energy: 1.5241108936177155
Energy: 1.8521975511494604
Energy: 1.8509037213428832
Energy: 1.5234776463467277
Energy: 1.4932647361264377
Energy: 1.4882376033456535
Energy: 1.4920234607220089
Energy: 1.8825092114202227
Energy: 1.4968439329845793
Energy: 1.535043513501113
Energy: 1.851368311672001
Energy: 1.8573119777673293
Energy: 1.4961303697977908
Energy: 1.8553631095363115
Energy: 1.5014975805352837
Energy: 2.256134164552009
Energy: 1.493856111697202
Energy: 1.5145437704681823
Energy: 1.5250611557563116
Energy: 1.4957210713806046
Energy: 2.124379562985761

minimum gb energy = 1.4239096025072155 eV
minimum distance =  2.20506257468034 Angstroms
sigma value = 43


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

Energy: 1.579883679704656
Energy: 1.55591013320212
Energy: 1.5400266661233382
Energy: 1.539760561990389
Energy: 1.5396398817760502
Energy: 2.2000179549263166
Energy: 1.6083740550654266
Energy: 1.5441457488208008
Energy: 1.5436452510458174
Energy: 1.54170092985399
Energy: 1.5439260463833875
Energy: 1.8378638645809346
Energy: 1.8744376628566903
Energy: 1.835297744369542
Energy: 1.5416284149277188
Energy: 1.54700020788295
Energy: 1.5421395612806819
Energy: 1.4880630221147906
Energy: 1.8734801319032486
Energy: 2.089583614626637
Energy: 1.543194631983226
Energy: 1.5326702574153603
Energy: 1.5430076343411867
Energy: 1.4873869513335662
Energy: 1.8778375686930544
Energy: 1.488731845169295
Energy: 1.8390265032834907
Energy: 1.5972953930630898
Energy: 1.8393237039999941
Energy: 1.4892188522677516
Energy: 1.4896201097714976
Energy: 1.4827089296924563
Energy: 1.4854221380865358
Energy: 2.125179294208852
Energy: 1.488038341006005
Energy: 1.4836318046485215
Energy: 1.4847776424868093
Energy: 1.4874551187422704
Energy: 1.8430509617132267
Energy: 1.544840251702894
Energy: 1.4885457760741656
Energy: 1.4871188954968817
Energy: 1.4921681760554564
Energy: 1.4861166329275148
Energy: 1.6074397625084929
Energy: 1.6872187697900447
Energy: 1.4867190223153783
Energy: 1.4859584236040946
Energy: 1.4857714781087044
Energy: 1.48329481842752
Energy: 2.0904494079436593
Energy: 1.8101028408289181
Energy: 1.4872635547523974
Energy: 1.4880327988201145
Energy: 2.0111860326758877
Energy: 1.4882965267898156
Energy: 1.8384227560427595
Energy: 1.6812111480235652
Energy: 1.840109921290719
Energy: 1.4890880784380434
Energy: 2.144542897284718
Energy: 2.0899310356569942
Energy: 1.5335007848812603
Energy: 1.5426049590378534
Energy: 1.5366052995933686
Energy: 1.4827078976692198
Energy: 1.8747142474370755
Energy: 1.8407386151871497
Energy: 1.5423624719158318
Energy: 1.549987783031778
Energy: 1.5432248003384523
Energy: 1.489126601768055
Energy: 1.4872582282792255
Energy: 1.543427982171456
Energy: 1.5430586741978467
Energy: 1.542435084220924
Energy: 1.5432416987523974
Energy: 1.7139472109591074
Energy: 1.860454018453355
Energy: 1.5471026518778073
Energy: 1.5420814474117739
Energy: 1.5424961114417655
Energy: 1.5444043972254875
Energy: 1.4962474035426625
Energy: 1.6797573124342782
Energy: 1.839855686091379
Energy: 1.5449916196136886
Energy: 1.5399160882274825
Energy: 1.8401097226441543
Energy: 1.8389824541627209
Energy: 1.8692956231226865
Energy: 1.717435369511545
Energy: 1.8378803155351442
Energy: 1.5455805191698981
Energy: 1.8378124541953806
Energy: 1.5394272145721069
Energy: 1.875651997212695
Energy: 1.8382747961589143
Energy: 1.5446309387553396
Energy: 1.596642107734958
Energy: 1.7206779056843606
Energy: 1.5432830796630475
Energy: 1.8760877675543806
Energy: 1.5442235890751461
Energy: 1.8388638647058662
Energy: 1.5960976779673954
Energy: 1.838966759396752
Energy: 1.5438694359511567
Energy: 1.5395428788762906
Energy: 1.5394619657736837
Energy: 1.5560698714189292
Energy: 2.1991775167965866
Energy: 1.6197365384238112
Energy: 1.5397322253780934
Energy: 1.5543269450271315
Energy: 1.5437027893241544
Energy: 1.5430160457192403
Energy: 1.4852733974150811
Energy: 1.544410270180285
Energy: 1.543533161150373
Energy: 1.5455740149237016
Energy: 1.5416677371112688
Energy: 1.4885341658617823
Energy: 1.5964396441915407
Energy: 1.5432471526976443
Energy: 1.5415961162098188
Energy: 1.5329903312861417
Energy: 1.5414185874048822
Energy: 2.0886014563885777
Energy: 1.4874794946859606
Energy: 2.0964752383955765
Energy: 1.533161036178904
Energy: 1.5894238584313451
Energy: 1.8390452362745133
Energy: 1.488270187818864
Energy: 1.5426888327904027
Energy: 1.782981893336017
Energy: 1.839142883158028
Energy: 2.137473987329113
Energy: 1.4883939651846494
Energy: 1.4830794246852503
Energy: 1.4871373793192635
Energy: 1.4837153107285823
Energy: 2.1189657537750537
Energy: 1.5440325409933675
Energy: 1.4846885726101202
Energy: 1.4871685806074935
Energy: 1.4854975875214658
Energy: 1.4878434749041283
Energy: 1.6372534881131058
Energy: 1.6822412546060113
Energy: 1.502519292084892
Energy: 1.4859319913607423
Energy: 1.493366315649188
Energy: 1.4862668235202725
Energy: 1.6367145187312262
Energy: 1.8636919959875975
Energy: 1.8468072832444238
Energy: 1.4832082971908318
Energy: 1.4856485646706896
Energy: 1.483040404262016
Energy: 1.4811432612904782
Energy: 1.8051593646516637
Energy: 1.8397313751002478
Energy: 1.4885702632770794
Energy: 1.5464031041106505
Energy: 1.488197859026783
Energy: 1.8425501741387573
Energy: 1.5353062294957407
Energy: 1.534437700059418
Energy: 2.0876511686180743
Energy: 1.484632757179114
Energy: 2.0931323811735996
Energy: 1.5431261730906545
Energy: 1.548847372680892
Energy: 1.5427155881496917
Energy: 1.4895409327081859
Energy: 1.875084331961843
Energy: 1.5440688057953853
Energy: 1.542495024092434
Energy: 1.5495057683086022
Energy: 1.5430665640646493
Energy: 1.838347018684446
Energy: 1.4868802377851549
Energy: 1.543708701487394
Energy: 1.543055841425923
Energy: 1.5427079228626457
Energy: 1.5445934932358336
Energy: 1.4810725348565768
Energy: 2.065822513834834
Energy: 1.5471751036732109
Energy: 1.5413936275160802
Energy: 1.8797080958581027
Energy: 1.543252205849992
Energy: 1.8395493441898636
Energy: 1.6799418385924576
Energy: 1.8398016293645547
Energy: 1.544308169894876
Energy: 1.8733401408629948
Energy: 1.8378303796956201
Energy: 1.5441551601769385
Energy: 1.8693168438870182
Energy: 1.7175532675166165
Energy: 1.541994942495153
Energy: 1.8741323121550795
Energy: 1.53398310320926
Energy: 1.54283399366077
Energy: 1.5463633751334616
Energy: 1.8384246287742694
Energy: 1.5452117914317625
Energy: 1.6083740514002003
Energy: 1.8389320884956506
Energy: 1.544405544950471
Energy: 1.5472285019782013
Energy: 1.8388134327267405
Energy: 1.7156726498506811

minimum gb energy = 1.4810725348565768 eV
minimum distance =  2.24458578284419 Angstroms
sigma value = 81


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

Energy: 1.520814334629054
Energy: 1.5213156407271946
Energy: 1.5340721631577032
Energy: 1.5336650832234329
Energy: 1.9060455918232428
Energy: 1.5211894557826824
Energy: 1.5212854903281858
Energy: 1.682504909200971
Energy: 1.534075010832597
Energy: 1.5339450172208728
Energy: 1.5329913217567208
Energy: 1.6824254361029802
Energy: 1.6839693747813993
Energy: 1.6825386870773626
Energy: 1.5343027403179266
Energy: 1.5346193992720916
Energy: 1.5353650967993573
Energy: 1.684224277592008
Energy: 1.682964505279218
Energy: 1.6826335072830905
Energy: 1.5345611283109595
Energy: 1.5333851686316249
Energy: 1.682416562784262
Energy: 1.6830871291072107
Energy: 1.6825903175352888
Energy: 1.683828670387528
Energy: 1.6822336266561029
Energy: 1.5212406909414466
Energy: 1.685309332949601
Energy: 1.6826772977290574
Energy: 1.5353138969248
Energy: 1.533543439142398
Energy: 1.5212577229872861
Energy: 1.5246045716037526
Energy: 1.682654891649683
Energy: 1.5354189627256558
Energy: 1.5345729772024708
Energy: 1.534509813898793
Energy: 1.683118112432851
Energy: 1.6824882018506517
Energy: 1.5332425545057025
Energy: 1.5335039696204709
Energy: 1.5341583019146148
Energy: 1.5350188017018713
Energy: 1.6826203935638517
Energy: 1.6827848788788897
Energy: 1.6821051375005016
Energy: 1.533907244317415
Energy: 1.5342702452991908
Energy: 1.5339510135644643
Energy: 1.6824620717323961
Energy: 1.6816773254820063
Energy: 1.6824494751434707
Energy: 1.53397475130642
Energy: 1.5211226868309586
Energy: 1.682646402512347
Energy: 1.6824548136690498
Energy: 1.6825495417623684
Energy: 1.684826504795479
Energy: 1.682564423259778

minimum gb energy = 1.520814334629054 eV
minimum distance =  2.29434560609051 Angstroms
sigma value = 3


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

Energy: 1.9085980985010662
Energy: 1.529780913816348
Energy: 1.4694189394288077
Energy: 1.4694787999415984
Energy: 1.468174299379464
Energy: 2.2380448205525587
Energy: 1.9366310955138264
Energy: 1.4675198220776737
Energy: 1.72922987234546
Energy: 1.7297988037123224
Energy: 1.7163961902875988
Energy: 1.7153690536123862
Energy: 1.72917656425598
Energy: 1.5868565436125548
Energy: 1.7278431928461835
Energy: 1.730151995998838
Energy: 1.716719684734784
Energy: 1.7317670032198524
Energy: 1.7258742568013061
Energy: 1.7271293918737378
Energy: 1.7293490280500643
Energy: 1.7290253640810405
Energy: 1.5870160363312826
Energy: 1.7275247174548323
Energy: 1.7300309507034497
Energy: 1.728724508906546
Energy: 1.7150776584134315
Energy: 1.8008815001488108
Energy: 1.71702376060104
Energy: 1.7289346807424881
Energy: 1.8076673919467823
Energy: 1.780121705531372
Energy: 1.5795414843612818
Energy: 1.5907649130720718
Energy: 1.7258086493406453
Energy: 1.7895206780474968
Energy: 1.9677191570792043
Energy: 1.7275552419902336
Energy: 1.7154106324640945
Energy: 1.4735786363065788
Energy: 1.728098751478734
Energy: 1.7286256393711719
Energy: 1.964724727495558
Energy: 1.7269200086858096
Energy: 1.47175155881816
Energy: 1.4717270808971736
Energy: 1.470824181068335
Energy: 1.7276020849666642
Energy: 1.7302461688461037
Energy: 1.468668784209998
Energy: 1.467039468656014
Energy: 1.4716909247869945
Energy: 1.4671810014572921
Energy: 1.8195751197506462
Energy: 1.811816356731161
Energy: 1.5958532792176519
Energy: 1.4710468741007643
Energy: 1.4694336937049706
Energy: 1.4716295580834566
Energy: 1.5941547384058967
Energy: 1.7238105712279252
Energy: 1.5853765565542253
Energy: 1.4729290013075356
Energy: 1.4745636864328977
Energy: 1.584139289599876
Energy: 1.7193621493239688
Energy: 1.5633542081315706
Energy: 1.4727264539807374
Energy: 1.468976989848241
Energy: 1.9192684586577966
Energy: 1.469820494081798
Energy: 1.564967150025264
Energy: 1.472336068645716
Energy: 1.4731813917017365
Energy: 1.4694015855452072
Energy: 1.9198804882023752
Energy: 1.4707500033927352
Energy: 1.473619223697237
Energy: 1.4675714904172834
Energy: 1.4702364429505133
Energy: 1.4705551173396771
Energy: 1.8071872243422513
Energy: 1.4702150214152918
Energy: 1.470384849547381
Energy: 1.4717129632493
Energy: 1.4722798777341521
Energy: 1.7172518772491887
Energy: 1.9474042601429753
Energy: 1.5651205382118734
Energy: 1.4714334785420684
Energy: 1.4738815881397966
Energy: 1.7150144187908478
Energy: 1.7264732321561123
Energy: 1.9449289161063434
Energy: 1.7269965388567474
Energy: 1.467973160711119
Energy: 1.9115759970415154
Energy: 1.4706941206381052
Energy: 1.7299790452884798
Energy: 1.8170454825138402
Energy: 1.7303648257212405
Energy: 1.4475457694274767
Energy: 1.4812654352026626
Energy: 1.4697234151082004
Energy: 1.729079421174377
Energy: 1.7288884980556245
Energy: 1.7176355542173334
Energy: 1.5755551986848912
Energy: 1.714869091096513
Energy: 1.5867110271945657
Energy: 1.7274143832816524
Energy: 1.7258709145706252
Energy: 1.7269700289889522
Energy: 1.7273575468007758
Energy: 1.7304058095561954
Energy: 1.7282561872990976
Energy: 1.717064284710736
Energy: 1.7293035337374296
Energy: 1.5896931517322053
Energy: 1.7290822096587053
Energy: 1.7287146915454943
Energy: 1.728240360265861
Energy: 1.58734872745447
Energy: 1.714472656563112
Energy: 1.7275224962673241
Energy: 1.7285060440871731
Energy: 1.7296502622963865
Energy: 1.7146586737099498
Energy: 1.590545587557959
Energy: 1.4640582041431764
Energy: 1.725944711130343
Energy: 1.713127841796691
Energy: 1.7309846625036436
Energy: 1.7286139773247984
Energy: 1.8126866093986116
Energy: 1.9848733650502697
Energy: 1.7900102695831588
Energy: 1.7286864538123552
Energy: 1.9630494218946224
Energy: 2.1189079135010886
Energy: 1.4726416494174963
Energy: 1.4718322763823493
Energy: 1.4716324772725855
Energy: 1.965751034227078
Energy: 1.730668616503097
Energy: 1.7539002414679856
Energy: 1.4691090757426746
Energy: 1.4738316647608642
Energy: 1.4698886977102779
Energy: 1.728402839328923
Energy: 1.8160659994348742
Energy: 1.471298309735316
Energy: 1.4688179682272122
Energy: 1.4698335871433
Energy: 1.4698811403967065
Energy: 1.468826276449743
Energy: 1.7227575326626288
Energy: 1.5859866831740608
Energy: 1.4732665183472173
Energy: 1.4704491794224497
Energy: 1.4733126885431365
Energy: 1.7194045155215787
Energy: 1.8110087205149437
Energy: 1.5981516730825966
Energy: 1.4713568592180035
Energy: 1.7014363829693935
Energy: 1.596222310258563
Energy: 1.594208760161377
Energy: 1.4739539143696057
Energy: 1.467267405927547
Energy: 1.4813983588123314
Energy: 1.4790759762984111
Energy: 1.583941113012363
Energy: 1.4736970473371829
Energy: 1.4766346238129098
Energy: 1.471266084963581
Energy: 1.4717616746110893
Energy: 1.5969509960974182
Energy: 1.4710027798104246
Energy: 1.4716892186062809
Energy: 1.477629215800339
Energy: 1.470122228001483
Energy: 1.9900035268768237
Energy: 1.7309002435074357
Energy: 1.4698464624170866
Energy: 1.4703276389039688
Energy: 1.4739160029824225
Energy: 1.4703918537327567
Energy: 2.117825975717983
Energy: 1.7278494090582321
Energy: 1.7147945344888798
Energy: 1.4698825418786028
Energy: 1.9371018701708287
Energy: 1.4698636359731665
Energy: 1.7302687877412934
Energy: 1.731327553358692
Energy: 1.7179901423268518
Energy: 1.5702057660837818

minimum gb energy = 1.4475457694274767 eV
minimum distance =  2.27302476640728 Angstroms
sigma value = 67


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

Energy: 2.0596306683058723
Energy: 1.410385172540423
Energy: 1.3970829812876666
Energy: 1.4018078171009878
Energy: 1.3966448989259166
Energy: 1.4100920383923932
Energy: 1.3937798780297972
Energy: 1.4675060920336822
Energy: 1.7265357962619656
Energy: 1.7285319651464481
Energy: 1.7243533240670743
Energy: 1.7225445521944782
Energy: 1.725939213648841
Energy: 1.4717032591400385
Energy: 1.7248441391055722
Energy: 1.7274197105928129
Energy: 1.7304604780648838
Energy: 1.7272432219084048
Energy: 1.7224717926991162
Energy: 1.723950104301999
Energy: 1.4652295302364589
Energy: 1.3983408761432101
Energy: 1.4730588986057356
Energy: 1.7278475954315886
Energy: 1.7305783931740863
Energy: 1.7250089678042002
Energy: 1.7881151287100556
Energy: 1.3966207825984294
Energy: 1.72461823210847
Energy: 1.7273338969063563
Energy: 1.7540107363841486
Energy: 1.7572797086622483
Energy: 1.7796877201630237
Energy: 1.7185100394989843
Energy: 1.7268070539042035
Energy: 1.76119994325713
Energy: 2.0476630776875964
Energy: 1.7238235410066214
Energy: 1.785564872769999
Energy: 1.3975338619850761
Energy: 1.786586145862177
Energy: 1.7301862406721291
Energy: 2.042259438400988
Energy: 1.7225287118068238
Energy: 1.3963847275822545
Energy: 1.396951186275354
Energy: 1.394960727503665
Energy: 2.05039234629519
Energy: 1.7566597096990215
Energy: 1.3942578381773922
Energy: 1.3927274650147976
Energy: 1.3936556391538797
Energy: 1.392375352792194
Energy: 2.0881048924802434
Energy: 1.758500023727184
Energy: 1.3957692695594304
Energy: 1.3962049918479946
Energy: 1.4048240478825127
Energy: 1.394743250596226
Energy: 1.7284167436306033
Energy: 1.7385603432374914
Energy: 1.7726002280149158
Energy: 1.3942134980606447
Energy: 1.3966117637811561
Energy: 1.7719444677548715
Energy: 1.7266119804999562
Energy: 1.7566497408907744
Energy: 1.7275470450476182
Energy: 1.3910412569130721
Energy: 1.3940533590096018
Energy: 1.3949233496567524
Energy: 1.7589494746288572
Energy: 1.726789822826209
Energy: 1.726219270990512
Energy: 1.3912126209481384
Energy: 1.39478580474551
Energy: 1.459167133679902
Energy: 1.7256249138174231
Energy: 1.7257442041805249
Energy: 1.7307052850478029
Energy: 1.4674519940564457
Energy: 1.3977157461127256
Energy: 1.722017326186152
Energy: 1.7291354236437855
Energy: 1.7282236342606923
Energy: 1.470022967597761
Energy: 1.7250721007432326
Energy: 1.7258095566469112
Energy: 1.4662903490665185
Energy: 1.726919461195919
Energy: 1.3993708836452132
Energy: 1.4647107107340838
Energy: 1.7235676657549182
Energy: 1.720993328739281
Energy: 1.7229985946601785
Energy: 1.7284899977263761
Energy: 1.7062376342611703
Energy: 1.7927216303220046
Energy: 1.7276470546724743
Energy: 1.7275030995237064
Energy: 1.7270444774550657
Energy: 1.7202173948626927
Energy: 1.7676642485446818
Energy: 1.7908270380905629
Energy: 1.7278763838344076
Energy: 1.7590510261884316
Energy: 1.7280843441044262
Energy: 1.3963842576456593
Energy: 1.3970097716448164
Energy: 1.3976564287348536
Energy: 2.0486739228811515
Energy: 2.0471935298005364
Energy: 1.7758148052188074
Energy: 1.3974336996757224
Energy: 1.3995763416425515
Energy: 1.3953356203840737
Energy: 1.4712068257819264
Energy: 1.758800928595275
Energy: 1.3957709805464256
Energy: 1.3950475392954111
Energy: 1.3939056461023949
Energy: 1.3943269159406693
Energy: 1.3949948720979657
Energy: 1.4878008868093726
Energy: 1.3935079354844706
Energy: 1.3956229445413455
Energy: 1.3966818919965898
Energy: 1.3973409008317939
Energy: 1.7732380330069721
Energy: 1.7282817417874998
Energy: 1.7765044365610394
Energy: 1.3966087961836575
Energy: 1.3932481329498876
Energy: 1.3948243062669872
Energy: 1.725693689826329
Energy: 1.7586359068011006
Energy: 1.7232788834431387
Energy: 1.7902014081301496

minimum gb energy = 1.3910412569130721 eV
minimum distance =  2.24077600557007 Angstroms
sigma value = 33


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

Energy: 2.082229539612351
Energy: 1.7375144890550673
Energy: 1.874981914064511
Energy: 1.8752062418891073
Energy: 1.8804049528742806
Energy: 1.3655197466313576
Energy: 1.6916363533165375
Energy: 1.5724868005798585
Energy: 1.9055534094460802
Energy: 1.893089067888454
Energy: 1.5712755508678522
Energy: 1.9156352085235193
Energy: 1.5049788422364945
Energy: 1.3150287221741497
Energy: 1.919616856861344
Energy: 1.6932614179363503
Energy: 1.571703512112263
Energy: 1.5050540872986198
Energy: 1.5069168720216966
Energy: 1.5090651338695302
Energy: 1.5838055711207
Energy: 1.8584431534367303
Energy: 1.3141839027579034
Energy: 1.5096978254992794
Energy: 1.5076938468602936
Energy: 1.5111230500609705
Energy: 1.509764476143205
Energy: 1.513401392392275
Energy: 1.5114220754325391
Energy: 1.5053565665829247
Energy: 1.5084978242551121
Energy: 1.5084945650667592
Energy: 1.510828803010404
Energy: 1.8935897923645562
Energy: 1.511041939829255
Energy: 1.5091012594430395
Energy: 1.6807570239747756
Energy: 1.5105726090186768
Energy: 1.773061226504568
Energy: 1.5087731724035394
Energy: 1.3152869464038026
Energy: 1.6895684301478064
Energy: 1.9909783052470649
Energy: 1.392839670173874
Energy: 1.503979401694998
Energy: 1.5032784776230035
Energy: 1.5040352145646938
Energy: 1.6972604821452173
Energy: 1.5046972823658307
Energy: 1.5107817964611967
Energy: 1.510793898386077
Energy: 1.505689550248627
Energy: 1.510688029772584
Energy: 1.5114348518397733
Energy: 1.894344802625487
Energy: 1.398186596585259
Energy: 1.509720687017469
Energy: 1.5071203133565478
Energy: 1.3155879128315946
Energy: 1.9068016313239973
Energy: 1.866629060801024
Energy: 1.9143009408419354
Energy: 1.5069570673284156
Energy: 1.5036790474318535
Energy: 1.9155193453586794
Energy: 1.916452891808238
Energy: 1.8584171912715586
Energy: 1.8573004265326072
Energy: 1.3164385512880201
Energy: 1.5070823939678388
Energy: 1.315194252041219
Energy: 1.859789772171593
Energy: 1.864841357734711
Energy: 1.8572816048300533
Energy: 1.317228639841256
Energy: 1.5073171197540587
Energy: 1.314093504648776
Energy: 1.661464898211517
Energy: 1.9888806986061576
Energy: 1.9148152984318743
Energy: 1.3158812566894587
Energy: 1.3164937032013877
Energy: 1.3154818072240786
Energy: 2.124936509792601
Energy: 2.0896387516053445
Energy: 1.314715877600881
Energy: 1.3157876881549182
Energy: 1.3182792959190381
Energy: 1.3152454320125955
Energy: 1.8693213323956552
Energy: 1.6621318699465262
Energy: 1.3174763288759024
Energy: 1.3164296050010822
Energy: 1.3150660108160201
Energy: 1.3157842837578335
Energy: 1.6561449777464026
Energy: 1.885462524378406
Energy: 1.315118054808213
Energy: 1.3157883956426635
Energy: 1.3151418840339282
Energy: 1.3153395476336602
Energy: 1.9183883042429275
Energy: 2.011589067268304
Energy: 1.9153688831870814
Energy: 1.9159300090631437
Energy: 1.3147683705891944
Energy: 1.315365528392067
Energy: 1.8665263362689386
Energy: 1.7287346805078385
Energy: 1.864500317214302
Energy: 1.6858343911860614
Energy: 1.6935239865375542
Energy: 1.85685897321458
Energy: 1.8647373810881338
Energy: 1.863910057541775
Energy: 1.9149411152381184
Energy: 1.573465973680007
Energy: 1.6909198036132973
Energy: 1.5747012536030498
Energy: 1.866326918929922
Energy: 1.6947680419321667
Energy: 1.914669082165036
Energy: 1.5044069934099915
Energy: 1.5043453824655066
Energy: 1.398367510262915
Energy: 1.914656757327877
Energy: 1.8643647824634353
Energy: 1.4032190961333137
Energy: 1.5095435701167235
Energy: 1.5060214681575284
Energy: 1.5088853994363096
Energy: 1.859494867754954
Energy: 1.5170041161639074
Energy: 1.5109360705062622
Energy: 1.5115343919156967
Energy: 1.5059124334078193
Energy: 1.5106934306104463
Energy: 1.7690339301906477
Energy: 2.026830467470853
Energy: 1.3156758437474387
Energy: 1.5085388144246394
Energy: 1.5135393207020649
Energy: 1.5081566818758547
Energy: 1.7856762900534704
Energy: 1.5084305488987328
Energy: 1.5044618861252812
Energy: 1.50636022605634
Energy: 1.503617279621427
Energy: 1.5104171499090187
Energy: 1.5841295168976237
Energy: 1.503135691613062
Energy: 1.5037864883844392
Energy: 1.5665805080176136
Energy: 2.07113603739174
Energy: 1.3172685343037618
Energy: 1.5035204059314906
Energy: 1.5045079316808676
Energy: 1.5101147457383122
Energy: 1.5096352675028806
Energy: 1.817547210390929
Energy: 1.5105099265117394
Energy: 1.5109098224792232
Energy: 1.5060875148527295
Energy: 1.5084759734761053
Energy: 1.5715482817517972
Energy: 1.7697289111405188
Energy: 1.3997248297944314
Energy: 1.5108573571763317
Energy: 1.503419117462113
Energy: 1.3966829990698877
Energy: 1.9188529551418951
Energy: 1.8652439978113233
Energy: 1.9161364780599475
Energy: 1.5042130573401198
Energy: 1.507324923706661
Energy: 1.315630490452835
Energy: 1.8572001924690686
Energy: 1.8595981066056995
Energy: 1.8782723263726917
Energy: 1.5060262527976989
Energy: 1.5082176452518345
Energy: 1.314547133434751
Energy: 1.6581228552464922
Energy: 1.8644918682537857
Energy: 1.8629661292762363
Energy: 1.765079936566693
Energy: 1.31624064184871
Energy: 1.3156092612100805
Energy: 1.9148099814983623
Energy: 2.080245329497577
Energy: 1.914683236024058
Energy: 1.3161324044352967
Energy: 1.3194471231981104
Energy: 1.315514076711682
Energy: 1.396387849235445
Energy: 2.0873510593720144
Energy: 1.3165597459606884
Energy: 1.315873403242496
Energy: 1.313908683883469
Energy: 1.316224287372224
Energy: 1.3173755434602534
Energy: 1.663884014363017
Energy: 1.317242424499784
Energy: 1.3160251378355052
Energy: 1.3153765929528183
Energy: 1.3155502105391959
Energy: 1.571633206756015
Energy: 1.6873560706320168
Energy: 1.315516487093033
Energy: 1.3157605375861
Energy: 1.3165863626127
Energy: 1.7863536318923086
Energy: 1.9148813069250654
Energy: 1.6873029367140815
Energy: 1.5714576007666294
Energy: 1.508070209924918
Energy: 1.3095918384378167
Energy: 1.5882712371931087
Energy: 1.6614681090672492
Energy: 1.8642786224716694
Energy: 1.8566770851512906
Energy: 1.572457682020231

minimum gb energy = 1.3095918384378167 eV
minimum distance =  2.23466102495771 Angstroms
sigma value = 41


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

Energy: 2.181688160373334
Energy: 2.133990550186546
Energy: 1.4917323588213924
Energy: 1.4995085845865608
Energy: 1.4917165221401074
Energy: 2.1321684009259347
Energy: 1.9108450672319086
Energy: 1.1322629032011515
Energy: 1.129090225045451
Energy: 1.4970784753751303
Energy: 1.1302566472661266
Energy: 1.4963950077709747
Energy: 1.5000509228721053
Energy: 1.1339363723842355
Energy: 1.1345785989801154
Energy: 1.0594736756926104
Energy: 1.1304832253208357
Energy: 1.4955720209886516
Energy: 1.497282153018916
Energy: 1.6105376765226702
Energy: 1.1355856260803348
Energy: 1.499755493070691
Energy: 1.1328040044778103
Energy: 1.6105067917242668
Energy: 1.4996072781163252
Energy: 1.496206917169306
Energy: 1.13344965817509
Energy: 1.4999255273951801
Energy: 1.1296546199789819
Energy: 1.4967479328626727
Energy: 1.492895909286534
Energy: 1.4916753441230566
Energy: 2.068110026275553
Energy: 1.486473912664732
Energy: 2.068817986501295
Energy: 1.4924022240564017
Energy: 1.909675620735897
Energy: 1.6086198699053493
Energy: 1.4908865596954006
Energy: 1.496392076250087
Energy: 1.6085242431058062
Energy: 1.9111820476477368
Energy: 1.9112789669729107
Energy: 1.1327891836468877
Energy: 1.4908217139337747
Energy: 1.4927598396293291
Energy: 1.131365261586921
Energy: 2.1378716621052325
Energy: 1.493577847297178
Energy: 1.132616993551372
Energy: 1.1302244978657614
Energy: 1.0595011090244897
Energy: 1.1319630553658693
Energy: 1.4909753648426074
Energy: 1.5122224556881416
Energy: 1.1336727425536286
Energy: 1.1302916939220382
Energy: 1.49762988769421
Energy: 1.1324255693884253
Energy: 1.4968135579222592
Energy: 1.4984762235233484
Energy: 1.6090761075257918
Energy: 1.1291201677059584
Energy: 1.4936468318462428
Energy: 1.1317933269413765
Energy: 1.6098888920541756
Energy: 1.4915773970435164
Energy: 1.491910299185548
Energy: 1.1333124133694963
Energy: 1.4861225184178846
Energy: 1.4951667070152863
Energy: 1.492198208901619
Energy: 1.494311248297782
Energy: 1.4918696666203375
Energy: 1.133249580198225
Energy: 1.4959420437905893
Energy: 1.1315879802336137
Energy: 1.489854514725516
Energy: 1.909915894886981
Energy: 1.6091354249069214
Energy: 1.4909703507955554
Energy: 1.4934355839963873
Energy: 1.4930984679991366
Energy: 2.134741119531581

minimum gb energy = 1.0594736756926104 eV
minimum distance =  2.26893231498722 Angstroms
sigma value = 11


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

Energy: 2.48960520242162
Energy: 1.4529528950476072
Energy: 1.6930368475672202
Energy: 1.6953792028966117
Energy: 1.6930306531387724
Energy: 2.3600683430465317
Energy: 1.449890201192095
Energy: 1.457353917084865
Energy: 1.453626218938101
Energy: 1.456298610901665
Energy: 1.5424253206144245
Energy: 1.4630759411377015
Energy: 1.4557659061894497
Energy: 1.4682705445312065
Energy: 1.7341115516995846
Energy: 1.4539101570872113
Energy: 1.7366372719481455
Energy: 1.4574022215828242
Energy: 1.4581535498834397
Energy: 1.4581471379786162
Energy: 1.538228601325843
Energy: 1.4561559229259475
Energy: 1.4569940391709182
Energy: 1.457833580136696
Energy: 1.4563050737290184
Energy: 1.4668112839835965
Energy: 1.5387587876659699
Energy: 1.455912727840484
Energy: 1.461864756060806
Energy: 1.4593702740569259
Energy: 1.459934995697357
Energy: 1.4583052242359509
Energy: 2.1446976749919573
Energy: 1.456942167059825
Energy: 2.1452384530044166
Energy: 1.470529350143593
Energy: 1.6133025255308242
Energy: 1.4610370651982252
Energy: 1.45550745194808
Energy: 1.455193828685181
Energy: 1.454069555552606
Energy: 1.5340548429468501
Energy: 1.6124673435119894
Energy: 1.6880137336589929
Energy: 1.4603582270407687
Energy: 1.4588323762681203
Energy: 1.457915678774034
Energy: 1.4497725366708407
Energy: 1.459091366333905
Energy: 1.4570012253571503
Energy: 1.4571870353463505
Energy: 1.4525637501258686
Energy: 1.5369605919681304
Energy: 1.4567578352077042
Energy: 1.4583554905429241
Energy: 1.4571997386578022
Energy: 1.5371524212706138
Energy: 1.4518233354323513
Energy: 1.4572708190899246
Energy: 1.458281210007801
Energy: 1.456589809635931
Energy: 1.6977775410594667
Energy: 1.535389028548788
Energy: 1.4585532517974007
Energy: 1.4584084353565918
Energy: 1.4595284641882684
Energy: 1.4594754433980275
Energy: 1.4567313544157363
Energy: 1.4587548571650713
Energy: 1.4633316784649606
Energy: 1.6896277804982354
Energy: 1.458173535470844
Energy: 1.4585516659804456
Energy: 1.6994435691488385
Energy: 1.464375463573729
Energy: 1.4594568499561111
Energy: 1.4584639545107663
Energy: 1.4582349822022906
Energy: 1.451493039074554
Energy: 1.4658810498336845
Energy: 1.4583743839510177
Energy: 1.458727124831671
Energy: 1.4673837111685046
Energy: 1.5403918518393174
Energy: 1.4584060461308022
Energy: 1.5405193768611494
Energy: 1.459739571902422
Energy: 1.4596673042367225
Energy: 1.4570236339574059
Energy: 1.4537559270968259
Energy: 1.4600214502829474
Energy: 1.4583063592804864
Energy: 1.4541277822146697
Energy: 1.4500694818294733
Energy: 1.4574588385931275
Energy: 1.4570483064823028
Energy: 1.455597260987639
Energy: 1.5376170390379376
Energy: 1.458246969561141
Energy: 1.450824114660005
Energy: 1.5380308672647889
Energy: 1.4564376038309856
Energy: 1.4574843571078961
Energy: 1.7346462163087348
Energy: 1.4585024356761866
Energy: 1.4593442695625682
Energy: 1.4593663732996214
Energy: 1.9055667346063574
Energy: 1.4547906903543224
Energy: 1.4561162039915654
Energy: 1.457934054547839
Energy: 1.4654895258819898
Energy: 1.4583829769866032
Energy: 1.4556309128035732
Energy: 1.455734373344045
Energy: 1.4577472662327482
Energy: 1.4661528538493127
Energy: 1.4591582892346857
Energy: 1.46174807302595
Energy: 1.5390513440309193
Energy: 1.4554103663413391
Energy: 2.143640309973187
Energy: 1.45850993774873
Energy: 1.4604251728817077
Energy: 1.4665544571770996
Energy: 2.143025076124166
Energy: 1.4554817621118896
Energy: 1.4538447280594455
Energy: 1.4612038529234288
Energy: 1.6133027934476203
Energy: 1.5387768638744668
Energy: 1.4566034477852774
Energy: 1.4581387844829805
Energy: 1.4580707914911077
Energy: 2.13722641813689
Energy: 1.4511917216792825
Energy: 1.5887745556207602
Energy: 1.4579931926184488
Energy: 1.4521445206726085
Energy: 1.5372045298289156
Energy: 1.4567334882572431
Energy: 1.4574863689302184
Energy: 1.4567247852535197
Energy: 1.453389520336254
Energy: 1.4511867095638633
Energy: 1.5368644153015643
Energy: 1.4578503206748978
Energy: 1.4591025054409048
Energy: 1.456236938806369
Energy: 1.456328418781337
Energy: 1.4585388046829235
Energy: 1.537489807938354
Energy: 1.456687111903607
Energy: 1.4566881239635543
Energy: 1.698629200826878
Energy: 1.4595660886582595
Energy: 1.4594417898389527
Energy: 1.459062570770547
Energy: 1.4593383407416218
Energy: 1.4564812996526126
Energy: 1.537477315611019
Energy: 1.4584981415010008
Energy: 1.4591501163712501
Energy: 1.4577847561526613
Energy: 1.5350549425151765
Energy: 1.4583326462886657
Energy: 1.6988051619191094
Energy: 1.4581306446523512
Energy: 1.4570060773801718
Energy: 1.4575828625103486
Energy: 1.5366618496840228
Energy: 1.4504677247847226
Energy: 1.4680067130728613
Energy: 1.4573217758973485
Energy: 1.4603452640241692
Energy: 1.4566471734264883
Energy: 1.5415096786125564
Energy: 1.458657855773023
Energy: 1.5359396987599163
Energy: 1.456072797638945
Energy: 1.7682499321618492
Energy: 1.537159712361781
Energy: 1.4579240123217858
Energy: 1.4585787324090378
Energy: 1.4591257562217188
Energy: 1.9099195745373914

minimum gb energy = 1.4497725366708407 eV
minimum distance =  2.22789252804068 Angstroms
sigma value = 57


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

Energy: 2.603604026017619
Energy: 1.6295391413806861
Energy: 1.676134016667719
Energy: 1.6789814833238006
Energy: 1.6768595998537483
Energy: 1.6286101980440393
Energy: 1.5800374303636509
Energy: 1.6779928235859574
Energy: 1.6777530336610176
Energy: 1.595676587958696
Energy: 1.6593736329560853
Energy: 1.6780628413791607
Energy: 1.5950071153767178
Energy: 1.6808396190387924
Energy: 1.6703619859536651
Energy: 1.5809874476788446
Energy: 1.6735183941758573
Energy: 1.5963644992477803
Energy: 1.5955627653532374
Energy: 1.6210242294840287
Energy: 1.6586021154880164
Energy: 1.5960403433463142
Energy: 1.66071600217394
Energy: 1.6210913071830486
Energy: 1.5963438965661072
Energy: 1.620120237324955
Energy: 1.6579956179497524
Energy: 1.5953252850148218
Energy: 1.6185809262136972
Energy: 1.6199915928246624
Energy: 1.5963280526899288
Energy: 1.6747489553046464
Energy: 1.6718819046448647
Energy: 1.5951748382436208
Energy: 1.67380905435265
Energy: 1.5966327334705421
Energy: 1.5913162307100401
Energy: 1.6745369747761134
Energy: 1.5964010360557699
Energy: 1.5966130953755926
Energy: 1.5965936724951837
Energy: 1.6576800347565204
Energy: 1.5897149046391943
Energy: 1.6708458846775804
Energy: 1.6911390636219321
Energy: 1.5964919810666929
Energy: 1.596159606116095
Energy: 1.675019763497863
Energy: 1.596247489342577
Energy: 1.5968329498914668
Energy: 1.5812672174639608
Energy: 1.5795460646699244
Energy: 1.6744168795855459
Energy: 1.5972441430015367
Energy: 1.5944295814895073
Energy: 1.5965010638825181
Energy: 1.581233683299063
Energy: 1.5799200353949154
Energy: 1.6744073380804536
Energy: 1.5965119191714792
Energy: 1.5804131614433345
Energy: 1.671151861719172
Energy: 1.6754889823366017
Energy: 1.595267952279284
Energy: 1.674199174644348
Energy: 1.6601421235408884
Energy: 1.5807453989957896
Energy: 1.6747263107660164
Energy: 1.6206363737594145
Energy: 1.5968004638444475
Energy: 1.620101104025772
Energy: 1.6577421166082669
Energy: 1.597208634031114
Energy: 1.6582725190338519
Energy: 1.6207586249739
Energy: 1.5973096799394924
Energy: 1.6594415690612425
Energy: 1.5958863495781217
Energy: 1.595120778072706
Energy: 1.67494738004773
Energy: 1.5960668785283643
Energy: 1.5955869287151152
Energy: 1.6747934338257087
Energy: 1.6738993561199933
Energy: 1.5948668633652001
Energy: 1.6756993259344592
Energy: 1.677916250242988
Energy: 1.595128157439406
Energy: 1.6770839976599479
Energy: 1.5957634835151306
Energy: 1.5951884744810048
Energy: 1.620741585734803
Energy: 1.6184961953337278
Energy: 1.6525841361684852
Energy: 1.6190627264951876
Energy: 1.5953694198179282
Energy: 1.5798617568353384
Energy: 1.597727006320772
Energy: 1.6772183410619763
Energy: 1.6902940700977307
Energy: 1.6594402362303164
Energy: 1.5964545008493012

minimum gb energy = 1.5795460646699244 eV
minimum distance =  2.26245779270806 Angstroms
sigma value = 9


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

Energy: 2.81657722509529
Energy: 1.5911207327333703
Energy: 1.6918248449788331
Energy: 1.6978725861764283
Energy: 1.6918363654145987
Energy: 1.5906006679619984
Energy: 1.6620244066713352
Energy: 1.7463620168388911
Energy: 1.7490949111980156
Energy: 1.625078489975175
Energy: 1.7386912746784464
Energy: 1.7396861813408007
Energy: 1.6222517100104183
Energy: 1.650133665870484
Energy: 1.8349585379316022
Energy: 1.8327696709834078
Energy: 1.7382334129149783
Energy: 1.6192986387936623
Energy: 1.6743384060721698
Energy: 1.6473214679081216
Energy: 1.738775028540835
Energy: 1.6232026074872894
Energy: 1.7389116772251119
Energy: 1.6483219967022515
Energy: 1.620826774252478
Energy: 1.7772269427544145
Energy: 1.6759851241987733
Energy: 1.6182606000668973
Energy: 1.7416304792132271
Energy: 1.7761276367727363
Energy: 1.622969320108653
Energy: 1.7427419686623107
Energy: 1.7768936618159221
Energy: 1.620045996046243
Energy: 1.776830669638126
Energy: 1.623059287564312
Energy: 1.6324839223427956
Energy: 1.6474517777364803
Energy: 1.6479935870998355
Energy: 1.6193902697793239
Energy: 1.6478073583722268
Energy: 1.7473359307106127
Energy: 1.6226337108187872
Energy: 1.7384812985603315
Energy: 1.727470483623357
Energy: 1.6209078373357408
Energy: 1.836584971181252
Energy: 1.74736307455541
Energy: 1.62087834008044
Energy: 1.6234899416755382
Energy: 1.7950328914868592
Energy: 1.6197578783499373
Energy: 1.7383600390280947
Energy: 1.620370197210164
Energy: 1.623151616500961
Energy: 1.6236947194559341
Energy: 1.7480777125320877
Energy: 1.6199489446564885
Energy: 1.7383494324769002
Energy: 1.7285189923283617
Energy: 1.6592616749074762
Energy: 1.7376654670829637
Energy: 1.6185197822527553
Energy: 1.6214646597793283
Energy: 1.6619355594777794
Energy: 1.5709310440795043
Energy: 1.6589182738026862
Energy: 1.7387307166381403
Energy: 1.6237518417813315
Energy: 1.6252005741857065
Energy: 1.6243770956203867
Energy: 1.8371440049853203
Energy: 1.620562034941637
Energy: 1.835491690536003
Energy: 1.73869511244223
Energy: 1.5703961991263258
Energy: 1.737861379281691
Energy: 1.6185292244644607
Energy: 1.6245025508851114
Energy: 1.6467158327452092
Energy: 1.7424014427605694
Energy: 1.5712848386158693
Energy: 1.646424370707673
Energy: 1.6476203119687747
Energy: 1.6215321333982404
Energy: 1.778074412751793
Energy: 1.6234447502517475
Energy: 1.6236434214510849
Energy: 1.6705615634529494
Energy: 1.777286344164608
Energy: 1.6761566327549993
Energy: 1.7429516460950787
Energy: 1.774530079292133
Energy: 1.7768781579858623
Energy: 1.7795936765340086
Energy: 1.623423175644903
Energy: 1.6227712036298159
Energy: 1.870356337898474
Energy: 1.6485959506146897
Energy: 1.6751982990357763
Energy: 1.6458899448559556
Energy: 1.739595143854452
Energy: 1.6229654189951368
Energy: 1.738727452588226
Energy: 1.6481695735256485
Energy: 1.6216741149725689
Energy: 1.6507684065814114
Energy: 1.738774152848675
Energy: 1.6178539326964614
Energy: 1.6516487879948303
Energy: 1.795831293212659
Energy: 1.6231343660295845
Energy: 1.6379897905207845
Energy: 1.624025684210503
Energy: 1.6958908678350206
Energy: 1.6236061890213562
Energy: 1.6469945955143468
Energy: 1.7335265374513078
Energy: 1.7253667023772676
Energy: 1.623266618017198
Energy: 1.658806864700493
Energy: 1.7470689631736347
Energy: 1.6503002657844448
Energy: 1.621251474208638
Energy: 1.7392946116663304
Energy: 1.650315723859787

minimum gb energy = 1.5703961991263258 eV
minimum distance =  2.27053830155289 Angstroms
sigma value = 27


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

Energy: 1.871191062898066
Energy: 1.6916412041442621
Energy: 1.7466632648320042
Energy: 1.7468099758115188
Energy: 1.7469228906337915
Energy: 1.6926813108545855
Energy: 1.6505303523450332
Energy: 1.807630296652987
Energy: 1.6501183452469712
Energy: 1.7354114782970473
Energy: 1.8107574827355466
Energy: 1.6551479847874635
Energy: 1.6416151549231197
Energy: 1.6117480784450078
Energy: 1.796496845720385
Energy: 1.8847009164011939
Energy: 1.8065481616351082
Energy: 1.6134983793965012
Energy: 1.6150855755283113
Energy: 1.6532333954131597
Energy: 1.8130563184091066
Energy: 1.6491921056161467
Energy: 1.8619284354285512
Energy: 1.6144746526964597
Energy: 1.6256211527703714
Energy: 1.860247096051075
Energy: 1.726982305426413
Energy: 1.681244626867242
Energy: 1.728426364280336
Energy: 1.861016108294715
Energy: 1.6142457674845125
Energy: 1.6134544634244563
Energy: 1.7290299506549491
Energy: 1.681548670173717
Energy: 1.729084990785343
Energy: 1.6140096144943048
Energy: 1.6048987706012678
Energy: 1.771581075531655
Energy: 1.7121202777373514
Energy: 1.7127279229413876
Energy: 1.7104645941605237
Energy: 1.8730518745842886
Energy: 1.6051076790194707
Energy: 1.8730176681681983
Energy: 1.679847721249181
Energy: 1.679410428877662
Energy: 1.8738045635242726
Energy: 1.7841916157742417
Energy: 1.5951069722837392
Energy: 1.6596381507162472
Energy: 1.659264605041872
Energy: 1.6123314433180875
Energy: 1.6587185960875939
Energy: 1.5951845278152392
Energy: 1.5945720050600578
Energy: 1.7097334487019509
Energy: 1.696536646540164
Energy: 1.615599703569059
Energy: 1.696987722241379
Energy: 1.709524731092384
Energy: 1.6632313066105653
Energy: 1.918016576486624
Energy: 1.7013876253934697
Energy: 1.5848732320333434
Energy: 1.626642397573746
Energy: 1.5950691671211485
Energy: 1.6629039162120065
Energy: 1.918813975258711
Energy: 1.5853479010128362
Energy: 1.696217687434377
Energy: 1.810551432098816
Energy: 1.5861037404140117
Energy: 1.5945910909236818
Energy: 1.674345358062705
Energy: 1.583477653488067
Energy: 1.5817988272250147
Energy: 1.583335360375052
Energy: 1.596956628027376
Energy: 1.5949181828574155
Energy: 1.584514597501564
Energy: 1.806434723223355
Energy: 1.7424492120366155
Energy: 1.5835543584276608
Energy: 1.627571474669288
Energy: 1.5961970951449624
Energy: 1.9191930698623776
Energy: 1.6156940801221862
Energy: 1.613602574696143
Energy: 1.6160280276171026
Energy: 1.8130649778576435
Energy: 1.6853038286233673
Energy: 1.6978393223279784
Energy: 1.6152468747891615
Energy: 1.6132741807760462
Energy: 1.6420929043405534
Energy: 1.5853769137343485
Energy: 1.5940534848353132
Energy: 1.5951438235061823
Energy: 1.7393582237598713
Energy: 1.6269805563819149
Energy: 1.7392531819423847
Energy: 1.5945536500664261
Energy: 1.6550490565684162
Energy: 1.7395127251620983
Energy: 1.5839870789585708
Energy: 1.6438032395437832
Energy: 1.716141009270738
Energy: 1.7391724691592185
Energy: 1.5945411297481455
Energy: 1.7150316827680938
Energy: 1.64325890530354
Energy: 1.6415624436547465
Energy: 1.7152778282230938
Energy: 1.7149898276532212
Energy: 1.6259121060799397
Energy: 1.6247976407480804
Energy: 1.868594623096509
Energy: 1.751281192984119
Energy: 1.868236448458494
Energy: 1.6552360281063156
Energy: 1.6936919979279386
Energy: 1.6418578426620534
Energy: 1.6436788057473497
Energy: 1.6430454537131554
Energy: 1.6425150748310735
Energy: 1.8069329677130623
Energy: 1.5951013878721774
Energy: 1.8093854907809546
Energy: 1.6442877907138718
Energy: 1.638223450051279
Energy: 1.6438304646389428
Energy: 1.809530308708948
Energy: 1.6937316951110755
Energy: 1.6560196402809648
Energy: 1.8097859703346553
Energy: 1.66341806886164
Energy: 1.8510163358837293
Energy: 1.6962366068567098
Energy: 1.6549705080444692
Energy: 1.6682140744763034
Energy: 1.7626856866622547
Energy: 1.663240024813589
Energy: 1.6451073938577967
Energy: 1.6963357322398733
Energy: 1.6295406511583463
Energy: 1.8105649227051837
Energy: 1.8146447260262908
Energy: 1.731398795068087
Energy: 1.649709741738167
Energy: 1.7949977736576737

minimum gb energy = 1.5817988272250147 eV
minimum distance =  2.25078009939576 Angstroms
sigma value = 19


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

Energy: 2.0307336878572984
Energy: 1.6419252639588333
Energy: 1.6882198472597993
Energy: 1.6875623889576437
Energy: 1.6879518823553066
Energy: 1.642766394760462
Energy: 1.5602047371265728
Energy: 1.5696387856023524
Energy: 1.5674342226766227
Energy: 1.5673728616898985
Energy: 1.57489510828611
Energy: 1.5777583471942553
Energy: 1.5650433240529127
Energy: 1.5692543518618052
Energy: 1.8217037608206632
Energy: 1.7737155348656772
Energy: 1.5692677134549076
Energy: 1.5695457777134336
Energy: 1.611709124499609
Energy: 1.5684042888763154
Energy: 1.5913168887224562
Energy: 1.5677637344592403
Energy: 1.8386485523916518
Energy: 1.5688011574126492
Energy: 1.545293252766074
Energy: 1.8538663886934759
Energy: 1.653404789092303
Energy: 1.5799849960201031
Energy: 1.6354469676946604
Energy: 1.8620623393579872
Energy: 1.5685074449960095
Energy: 1.568698322028859
Energy: 1.6367535930569566
Energy: 1.5590448065381028
Energy: 1.6365554241753586
Energy: 1.5704275572112814
Energy: 1.5867080238688203
Energy: 1.7407451193312045
Energy: 1.7371908531115008
Energy: 1.7362359201832867
Energy: 1.7430373059339686
Energy: 1.7403071263456669
Energy: 1.5874479995141586
Energy: 1.7343644441312798
Energy: 1.5580927305701653
Energy: 1.559761609000276
Energy: 1.5583152956139086
Energy: 1.5868740811714774
Energy: 1.583015959826061
Energy: 1.6362231542401438
Energy: 1.719533607654075
Energy: 1.5587562485810667
Energy: 1.6468683510733289
Energy: 1.6316322699031562
Energy: 1.587303542673444
Energy: 1.5761681061542663
Energy: 1.7856952904922645
Energy: 1.5589394028982415
Energy: 1.8755573340119356
Energy: 1.5868115058435723
Energy: 1.5450348565956822
Energy: 1.5575889935709495
Energy: 1.6016972086581351
Energy: 1.5574397988168185
Energy: 1.5991115893450625
Energy: 1.5576790269808842
Energy: 1.5866444407270146
Energy: 1.5572849622110625
Energy: 1.6738097976950714
Energy: 1.5489368115540636
Energy: 1.5387490884390533
Energy: 1.5376590505664673
Energy: 1.586239858906311
Energy: 1.587720568855413
Energy: 1.5458703281388102
Energy: 1.557710711910558
Energy: 1.575523143019843
Energy: 1.5948180115126038
Energy: 1.5369369731865328
Energy: 1.5523940146629802
Energy: 1.5384357268757962
Energy: 1.56290252555006
Energy: 1.9322093978742492
Energy: 1.5375480586857362
Energy: 1.537502574345268
Energy: 1.5386007408837454
Energy: 1.5488299136794206
Energy: 1.5489041247773636
Energy: 1.5489671766237736
Energy: 1.5391223150350208
Energy: 1.5367773356716359
Energy: 1.5383351960846146
Energy: 1.5393815094152237
Energy: 1.5491943101349928
Energy: 1.538282868096328
Energy: 1.5371067446462334
Energy: 1.653522281954991
Energy: 1.5521323394694932
Energy: 1.8217806769508142
Energy: 1.552740036468248
Energy: 1.9279348400420087
Energy: 1.5530605472982175
Energy: 1.5807759409758748
Energy: 1.5812789489610655
Energy: 1.5383009387442046
Energy: 1.5656589714759601
Energy: 1.5373250329288888
Energy: 1.581063423063987
Energy: 1.5453124866368555
Energy: 1.6785988902413815
Energy: 1.5489078373570315
Energy: 1.5642843803210689
Energy: 1.547290710502058
Energy: 1.7477047060290891
Energy: 1.580618829679681
Energy: 1.537198784621388
Energy: 1.6347873271433544
Energy: 1.56064728932844
Energy: 1.6714888174715161
Energy: 1.5369848008753393
Energy: 1.5793884024431781
Energy: 1.6947312303064914
Energy: 1.7506608584261902
Energy: 1.5488942113793713
Energy: 1.750076172712026
Energy: 1.576272990576027
Energy: 1.5777189223998898
Energy: 1.743973252514475
Energy: 1.558877441490529
Energy: 1.5593521489829407
Energy: 1.6871736401766846
Energy: 1.7386311797017318
Energy: 1.5803971805693948
Energy: 1.6427614832536606
Energy: 1.7038841739303705
Energy: 1.5595497074311206
Energy: 1.6430896205675103
Energy: 1.6448708921737554
Energy: 1.577400833505204
Energy: 1.5893731088155592
Energy: 1.8624732284886931
Energy: 1.5589505133444108
Energy: 1.861374021680384
Energy: 1.590096721271613
Energy: 1.5774589825573266
Energy: 1.5741621555515033
Energy: 1.5591337362128137
Energy: 1.5592749901023368
Energy: 1.5598696401686338
Energy: 1.5685991117288547
Energy: 1.5450305016821753
Energy: 1.7846265730586741
Energy: 1.5746083918435145
Energy: 1.557010644830525
Energy: 1.5591944198202525
Energy: 1.7848330346988408
Energy: 1.5776174326686747
Energy: 1.5774010181618996
Energy: 1.7904798029581377
Energy: 1.5629065393021873
Energy: 1.7912270767992802
Energy: 1.5791234751620338
Energy: 1.5653606560026332
Energy: 1.6111617177777786
Energy: 1.5452685400225799
Energy: 1.5626664957180987
Energy: 1.5893840515524256
Energy: 1.5655071140818622
Energy: 1.636210203412702
Energy: 1.7850031306640786
Energy: 1.7536000174151285
Energy: 1.6644976658987347
Energy: 1.6615187340306778
Energy: 1.6496151662606493

minimum gb energy = 1.5367773356716359 eV
minimum distance =  2.25777611608031 Angstroms
sigma value = 101


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

Energy: 1.8868840281824086
Energy: 1.4741619964832442
Energy: 1.546330808064755
Energy: 1.563998834561188
Energy: 1.5461302992045476
Energy: 1.9219188505752736
Energy: 1.4713907082439799
Energy: 1.4914087590213365
Energy: 1.4776594214002214
Energy: 1.4968291276277177
Energy: 1.4918362419000109
Energy: 1.4769701714542018
Energy: 1.4828330286741025
Energy: 1.4833758132401798
Energy: 1.9244114031704178
Energy: 1.9236777368300872
Energy: 1.4827417470035824
Energy: 1.4831898561557537
Energy: 1.4912004416623068
Energy: 1.492272097968863
Energy: 1.4924375416055613
Energy: 1.4970756851926637
Energy: 1.4833174118649926
Energy: 1.494112253842997
Energy: 1.4718715743577684
Energy: 1.6397091864163267
Energy: 1.5616152346318568
Energy: 1.4789734656392821
Energy: 1.5605380672969897
Energy: 1.7403733814452294
Energy: 1.490917594586485
Energy: 1.4832811460548603
Energy: 1.4762587632208395
Energy: 1.4764958152531789
Energy: 1.476452371985645
Energy: 1.4916387936469486
Energy: 1.4916922175721181
Energy: 1.6536622735810205
Energy: 1.667638621578647
Energy: 1.7066282025375812
Energy: 1.669334828054929
Energy: 1.5868220514777622
Energy: 1.495554866426117
Energy: 1.6532875308080768
Energy: 1.4760776282724868
Energy: 1.477110961055745
Energy: 1.47629596668902
Energy: 1.4924231772054135
Energy: 1.4907610661530626
Energy: 1.6537986770343525
Energy: 1.6675202572695347
Energy: 1.4973443314456762
Energy: 1.6791812175758192
Energy: 1.6540178529473348
Energy: 1.4921166358290285
Energy: 1.4915725389664685
Energy: 1.6579576724546212
Energy: 1.4761174344098247
Energy: 1.705136219751489
Energy: 1.4930960025356788
Energy: 1.4911036153505577
Energy: 1.561619502845033
Energy: 1.5613357456949757
Energy: 1.4801488394064592
Energy: 1.5608409065177113
Energy: 1.561097085620631
Energy: 1.4913373205037268
Energy: 1.8363375709799852
Energy: 1.4792386608190782
Energy: 1.4971415783104283
Energy: 1.4795037555300694
Energy: 1.4919942885622215
Energy: 1.4916863430743443
Energy: 1.4833796917315076
Energy: 1.4834311921813643
Energy: 1.4897055189538608
Energy: 1.4832251022599099
Energy: 1.4921973372596955
Energy: 1.4784590863320426
Energy: 1.4792574077194118
Energy: 1.483276252641866
Energy: 1.4886101928790338
Energy: 1.4923203302729358
Energy: 1.4790700719841159
Energy: 1.4938947501977367
Energy: 1.4795259262863996
Energy: 1.476297600590501
Energy: 1.4971702140763106
Energy: 1.476432012382943
Energy: 1.4797673957356794
Energy: 1.4938011691168491
Energy: 1.7188798829340828
Energy: 1.4765616390703056
Energy: 1.478547093942166
Energy: 1.4786294510096938
Energy: 1.4803284039971842
Energy: 1.5431602386815957
Energy: 1.4785386747609202
Energy: 1.4718188960342757
Energy: 1.5007087951581795
Energy: 1.583201195820295
Energy: 1.4796346272999639
Energy: 1.4964367715664006
Energy: 1.479370169413418
Energy: 1.4917084089110826
Energy: 1.471383897622369
Energy: 1.491486264530109
Energy: 1.4764265453269692
Energy: 1.502025229766834
Energy: 1.7186934587937277
Energy: 1.4834748595101563
Energy: 1.478622477119609
Energy: 1.4833038966283687
Energy: 1.925327168714943
Energy: 1.5021648014581097
Energy: 1.6392538872987914
Energy: 1.4924405299539716
Energy: 1.4912556384924043
Energy: 1.4920927327305602
Energy: 1.4788457729589108
Energy: 1.4757047531403005
Energy: 1.5613032127071749
Energy: 1.8358154373155906
Energy: 1.7420656895625373
Energy: 1.639797917431959
Energy: 1.4792859981195952
Energy: 1.4761865933822436
Energy: 1.5604896451190862
Energy: 1.491470951867263
Energy: 1.4913669776506457
Energy: 1.561026751916009
Energy: 1.4756928753207852
Energy: 1.4970020823282228
Energy: 1.7065392094479224
Energy: 1.5860791460159172
Energy: 1.4832712278303006
Energy: 1.6707600677112049
Energy: 1.706717696059346
Energy: 1.4757969319697124
Energy: 1.4767326091581936
Energy: 1.6529944115091837
Energy: 1.4918317004718515
Energy: 1.6532183792046804
Energy: 1.4776725481115178
Energy: 1.4755513602457622
Energy: 1.6680794495070492
Energy: 1.6528072964086198
Energy: 1.5878936633401954
Energy: 1.6529791896735901
Energy: 1.4760558114060796
Energy: 1.4969512059292431
Energy: 1.7054854479633363
Energy: 1.4915967963214525
Energy: 1.492494786159395
Energy: 1.6041091230366096
Energy: 1.7071882265445117
Energy: 1.475929758212524
Energy: 1.560955976903797
Energy: 1.5602637012389469
Energy: 1.4921341493283378
Energy: 1.5608636733498924
Energy: 1.5614510665296504
Energy: 1.4969203115923868
Energy: 1.4797548665348093
Energy: 1.8369189210296601
Energy: 1.4915782884741813
Energy: 1.835029552581321
Energy: 1.4790405645216613
Energy: 1.4884333705752848
Energy: 1.4839125268802382
Energy: 1.4925410518737234
Energy: 1.492975535055243
Energy: 1.4836769662252114
Energy: 1.7074691040927898
Energy: 1.4884921399530315
Energy: 1.482894538807971
Energy: 1.4833086175803174
Energy: 1.4789479150544746
Energy: 1.4796947444734843
Energy: 1.483527476619128
Energy: 1.496628272171091
Energy: 1.4758917970648908
Energy: 1.7191728634484813
Energy: 1.4939153940443546
Energy: 1.7183081882670252
Energy: 1.476002351065986
Energy: 1.4784711139013529
Energy: 1.5797742380330362
Energy: 1.7188606679612382
Energy: 1.4945378141743022
Energy: 1.4789969520728163
Energy: 1.4795083365061346
Energy: 1.6743272537437992
Energy: 1.719347244224999
Energy: 1.5801639442902415
Energy: 1.4786067845503859
Energy: 1.582841132862129
Energy: 1.4730465565616808

minimum gb energy = 1.471383897622369 eV
minimum distance =  2.26872615555989 Angstroms
sigma value = 33


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

Energy: 0.014976294457273436
Energy: 0.01581549085517056
Energy: 0.09103782607300681
Energy: 0.09098808704581922
Energy: 0.09257004712341438
Energy: 0.015622877896145856
Energy: 0.015509116063185209
Energy: 0.1074704798323911
Energy: 0.10741727999047436
Energy: 0.108774998725251
Energy: 0.10733760916864485
Energy: 0.10726711282746973
Energy: 1.0934383563476722
Energy: 0.09444224825135762
Energy: 0.015643601153056005
Energy: 0.016743859483744114
Energy: 0.0919753852994393
Energy: 0.09102388743279902
Energy: 0.10778397029868561
Energy: 0.10747047983309647
Energy: 0.10741727998980817
Energy: 0.108774998725251
Energy: 0.10733760916864485
Energy: 0.10726711282746973

minimum gb energy = 0.014976294457273436 eV
minimum distance =  2.45692569823289 Angstroms
sigma value = 1