Model name: model_name=EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5878697186708446
cohesive_energy=3.5216930147876497
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -5.69299980837746e-26 eV

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

Energy: 0.013828057554857947
Energy: 0.014336801659785665
Energy: 0.7905399113614188
Energy: 0.014336801659785665
Energy: 0.014336801659785665
Energy: 0.7717668689191851
Energy: 0.014336801659785665
Energy: 0.7717668689191851
Energy: 0.7905399113614188
Energy: 0.014336801659785665
Energy: 0.013828057554857947
Energy: 0.014336801659785665
Energy: 0.014336801659785665
Energy: 0.7717668689191851
Energy: 0.014336801659785665
Energy: 0.7717668689191851

minimum gb energy = 0.013828057554857947 eV
minimum distance =  2.46233286689284 Angstroms
sigma value = 1


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

Energy: 0.9440535632815723
Energy: 0.9379118628667931
Energy: 0.8583235133963214
Energy: 0.9379118628675651
Energy: 0.8934845589450028
Energy: 0.9316771776362878
Energy: 0.8828769397882535
Energy: 0.9316771776370601
Energy: 0.8343092518026035
Energy: 0.9272297682574122
Energy: 0.8823439900491907
Energy: 0.9272297682574122
Energy: 0.875145819766206
Energy: 0.9486354148498163
Energy: 0.8655160693697849
Energy: 0.9486354148498163
Energy: 0.8776548420123687
Energy: 0.9398501285457331
Energy: 0.8875267155334727
Energy: 0.9398501285457331
Energy: 0.847024649292836
Energy: 0.9386806308062378
Energy: 0.8384061378354069
Energy: 0.9386806308062378
Energy: 0.8963972256079354
Energy: 0.9269633092986931
Energy: 0.8484099888183179
Energy: 0.9269633092986931
Energy: 0.799317049068027
Energy: 0.9392468007604321
Energy: 0.8373215381150564
Energy: 0.9392468007604321
Energy: 0.8667244131358466
Energy: 0.8852166458200452
Energy: 0.8885076660540346
Energy: 0.885216645819273
Energy: 0.834865091071399
Energy: 0.9267824731704676
Energy: 0.7943606531612574
Energy: 0.9267824731704676
Energy: 0.8892903372583646
Energy: 0.9297641873031954
Energy: 0.866944025532908
Energy: 0.9297641873031954
Energy: 0.8673146509995836
Energy: 0.9391511556128715
Energy: 0.8437661950492389
Energy: 0.9391511556120993
Energy: 0.8822358221539263
Energy: 0.9265303301833772
Energy: 0.8963217356921941
Energy: 0.9265303301833772
Energy: 0.8880369579354138
Energy: 0.9341158945784893
Energy: 0.859350512649477
Energy: 0.9341158945784893
Energy: 0.8832772048123934
Energy: 0.9376557268927342
Energy: 0.88166482052321
Energy: 0.9376557268927342
Energy: 0.8892067848548251
Energy: 0.9381356131084697
Energy: 0.8822256247244686
Energy: 0.9381356131084697
Energy: 0.882266236286392
Energy: 0.9271640896406673
Energy: 0.8389476663960277
Energy: 0.9271640896406673
Energy: 0.8841400889312993
Energy: 0.9294090037624442
Energy: 0.8940277382037768
Energy: 0.9294090037624442
Energy: 0.8070656071369194
Energy: 0.9388098806892305
Energy: 0.84354753027327
Energy: 0.9388098806900026
Energy: 0.894498812199173
Energy: 0.8852046969632998
Energy: 0.8698788565016807
Energy: 0.8852046969625277
Energy: 0.8357440894758429
Energy: 0.9270453325785301
Energy: 0.8046947877943226
Energy: 0.9270453325785301
Energy: 0.8655480065341115
Energy: 0.9377729130967661
Energy: 0.8835069174627171
Energy: 0.9377729130967661
Energy: 0.8747546760069264
Energy: 0.9400980356937698
Energy: 0.8380557453971135
Energy: 0.9400980356937698
Energy: 0.8644836545974433
Energy: 0.9283931409229171
Energy: 0.8472383893445111
Energy: 0.9283931409236893
Energy: 0.8482543674740117
Energy: 0.9231202937467871
Energy: 0.8962478385031081
Energy: 0.9231202937467871
Energy: 0.8811718583978377
Energy: 0.9393510674964891
Energy: 0.8377275126125281
Energy: 0.9393510674964891
Energy: 0.8801171357333375
Energy: 0.9366746059755874
Energy: 0.8666014786029369
Energy: 0.9366746059755874
Energy: 0.8367437120278615
Energy: 0.9264102004853573
Energy: 0.8824131119558769
Energy: 0.9264102004853573
Energy: 0.8927053123070581
Energy: 0.9378319035661428
Energy: 0.8924992366464535
Energy: 0.9378319035661428
Energy: 0.895815328243195
Energy: 0.9382777629663235
Energy: 0.870629133160394
Energy: 0.9382777629663235
Energy: 0.8965903198816962
Energy: 0.9334659773880759
Energy: 0.8818558790335363
Energy: 0.9334659773880759
Energy: 0.8668872908089599
Energy: 0.9275707426269068
Energy: 0.8870251639951882
Energy: 0.9275707426269068
Energy: 0.8776735902394248
Energy: 0.947311232524772
Energy: 0.8663575216263147
Energy: 0.947311232524

minimum gb energy = 0.7943606531612574 eV
minimum distance =  2.28838188174064 Angstroms
sigma value = 1


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

Energy: 1.0089916663599003
Energy: 1.001893365233539
Energy: 0.9231200237453313
Energy: 1.001893365233539
Energy: 0.9193537557909698
Energy: 0.9797328901213098
Energy: 0.9241495852628048
Energy: 0.9797328901213098
Energy: 0.878702600192329
Energy: 1.001677219555354
Energy: 0.9247893815922761
Energy: 1.001677219555354
Energy: 0.8933251836228236
Energy: 0.9552182624524054
Energy: 0.8836165214049101
Energy: 0.9552182624524054
Energy: 0.8937394624962332
Energy: 0.9851715878427149
Energy: 0.9209276957094445
Energy: 0.9851715878435954
Energy: 0.9291669169577299
Energy: 0.9848004807299469
Energy: 0.8742879160107823
Energy: 0.9848004807299469
Energy: 0.9189464035845317
Energy: 0.9125680634290794
Energy: 0.9108875270978879
Energy: 0.9125680634290794
Energy: 0.8307058718471195
Energy: 1.0014722043863065
Energy: 0.8744645164747136
Energy: 1.001472204387187
Energy: 0.8918553962684773
Energy: 0.9379393996499537
Energy: 0.923524807903078
Energy: 0.9379393996499537
Energy: 0.8845598335515946
Energy: 1.0014489877128556
Energy: 0.8900722927268783
Energy: 1.0014489877137362
Energy: 0.9188529800631375
Energy: 0.9640452663291476
Energy: 0.9236277763195083
Energy: 0.9640452663291476
Energy: 0.8627241115499393
Energy: 0.9928345032910032
Energy: 0.9237617293138456
Energy: 0.9928345032910032
Energy: 0.9387116870452885
Energy: 0.9838748510003427
Energy: 0.9024959501727106
Energy: 0.9838748510003427
Energy: 0.9386762077124319
Energy: 0.9838826889610809
Energy: 0.9332327070976874
Energy: 0.9838826889610809
Energy: 0.8626115632526148
Energy: 0.992959856551409
Energy: 0.917337638762818
Energy: 0.992959856551409
Energy: 0.9189092026015986
Energy: 0.9639491117162704
Energy: 0.9109462331177299
Energy: 0.9639491117162704
Energy: 0.8845447232779236
Energy: 1.0016258960548772
Energy: 0.8646367825252549
Energy: 1.0016258960539968
Energy: 0.8918380967186166
Energy: 0.9379916553003518
Energy: 0.9235323873962065
Energy: 0.9379916553003518
Energy: 0.8306983305627392
Energy: 1.0015328012378315
Energy: 0.8743471036113073
Energy: 1.001532801238712
Energy: 0.9188547212915225
Energy: 0.9123987939055487
Energy: 0.8838174673165492
Energy: 0.9123987938976243
Energy: 0.9291014071954549
Energy: 0.9845647081276295
Energy: 0.9028403241073829
Energy: 0.9845647081276295
Energy: 0.8937655666287754
Energy: 0.9851485296024612
Energy: 0.9052266377489623
Energy: 0.9851485296024612
Energy: 0.8933341199518987
Energy: 0.9553952684271901
Energy: 0.9110123234179621
Energy: 0.9553952684271901
Energy: 0.8788256846320908
Energy: 1.0016362698266836
Energy: 0.9172219129798936
Energy: 1.001636269825803
Energy: 0.9193142515066856
Energy: 0.9797850708520955
Energy: 0.9242138743641035
Energy: 0.9797850708520955
Energy: 1.0089916663599003
Energy: 1.001893365233539
Energy: 0.9512700271059538
Energy: 1.001893365233539
Energy: 0.9193537557900895
Energy: 0.9797328901213098
Energy: 0.9241495852628048
Energy: 0.9797328901213098
Energy: 0.878702600192329
Energy: 1.001677219555354
Energy: 0.9237499127449939
Energy: 1.001677219555354
Energy: 0.8933251836237041
Energy: 0.9552182624524054
Energy: 0.8836165214049101
Energy: 0.9552182624524054

minimum gb energy = 0.8306983305627392 eV
minimum distance =  2.27880506586605 Angstroms
sigma value = 25


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

Energy: 0.9643049424864844
Energy: 1.0502966286579691
Energy: 0.9965643075340255
Energy: 1.0502966286579691
Energy: 0.9809214812175314
Energy: 1.0156006148925019
Energy: 0.944390218822258
Energy: 1.0156006148914782
Energy: 0.9147498573735465
Energy: 1.0775758485073386
Energy: 0.944760077681623
Energy: 1.0775758485073386
Energy: 0.9443612126582757
Energy: 1.022765714000089
Energy: 0.9204521798032318
Energy: 1.022765714000089
Energy: 0.921776535655231
Energy: 1.0506789863909163
Energy: 0.907088454727035
Energy: 1.0506789863909163
Energy: 0.9873679214944594
Energy: 1.0777698711092258
Energy: 0.9198342898177426
Energy: 1.0777698711092258
Energy: 0.9450938435811129
Energy: 0.9478328305015238
Energy: 0.9413696309325015
Energy: 0.9478328305015238
Energy: 1.0150768349129005
Energy: 1.0511979166905465
Energy: 0.8846970675753639
Energy: 1.0511979166905465
Energy: 0.941969823183565
Energy: 1.0114320676897968
Energy: 0.9453935170194503
Energy: 1.0114320676897968
Energy: 0.9442147802101731
Energy: 1.0775543699787808
Energy: 0.9105026464456135
Energy: 1.0775543699798045
Energy: 0.9460880296869187
Energy: 1.0503973708254712
Energy: 0.9439024487181334
Energy: 1.0503973708254712
Energy: 0.921590802724575
Energy: 1.0503342789372714
Energy: 0.9439892652573989
Energy: 1.0503342789372714
Energy: 0.9446744968164605
Energy: 1.0211074754831093
Energy: 0.9119390333611638
Energy: 1.0211074754831093
Energy: 0.9427504996561799
Energy: 0.9457882312539675
Energy: 0.980455427507729
Energy: 0.9457882312539675
Energy: 0.9391847977042248
Energy: 1.0509102523198144
Energy: 0.8825889255380454
Energy: 1.0509102523198144
Energy: 0.9444751011333926
Energy: 0.9497903752868024
Energy: 0.9202339905709782
Energy: 0.9497903752868024
Energy: 0.8706541001479979
Energy: 1.0772895653030883
Energy: 0.8701899356172741
Energy: 1.0772895653030883
Energy: 0.9204084883354163
Energy: 1.020838060722182
Energy: 0.9720894224095242
Energy: 1.020838060722182
Energy: 0.9293803230344334
Energy: 1.0214695908608744
Energy: 0.9218806609540726
Energy: 1.0214695908608744
Energy: 0.9198687788162949
Energy: 1.0774782132001994
Energy: 0.9473957032306425
Energy: 1.0774782132001994
Energy: 0.9546673483548536
Energy: 1.0073236348989913
Energy: 0.945050158501372
Energy: 1.0073236348989913
Energy: 0.9633338748209073
Energy: 1.0505921743061173
Energy: 0.9831969308049505
Energy: 1.0505921743061173
Energy: 0.9459524812537762
Energy: 1.016929058696678
Energy: 0.9440087407366473
Energy: 1.016929058696678
Energy: 0.913399395273544
Energy: 1.0788801938798118
Energy: 0.944354479228068
Energy: 1.0788801938787884
Energy: 0.9437435650451471
Energy: 0.9620153866149155
Energy: 0.9193878833797625
Energy: 0.9620153866149155

minimum gb energy = 0.8701899356172741 eV
minimum distance =  2.28204571267678 Angstroms
sigma value = 9


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

Energy: 1.0206795290326063
Energy: 1.0200772633442738
Energy: 1.0057877886424096
Energy: 1.0200772633442738
Energy: 0.9863959218993654
Energy: 1.0781999862843736
Energy: 1.0059580663047554
Energy: 1.0781999862843736
Energy: 0.9201358259190355
Energy: 1.013300649254894
Energy: 1.0105614605320339
Energy: 1.013300649254894
Energy: 1.0106184031143597
Energy: 1.096612175114027
Energy: 0.9369262086825507
Energy: 1.096612175114027
Energy: 1.0585399790732413
Energy: 1.0773786950124562
Energy: 0.9950838576948353
Energy: 1.0773786950124562
Energy: 0.9102044075532673
Energy: 1.0123242985317142
Energy: 0.9373315748890532
Energy: 1.0123242985317142
Energy: 1.007872089038564
Energy: 0.9364986728528694
Energy: 0.937560251962046
Energy: 0.9364986728528694
Energy: 0.9941728903451746
Energy: 1.0123222322132925
Energy: 0.9298016790439338
Energy: 1.0123222322132925
Energy: 1.0091796058020435
Energy: 1.0779108038268663
Energy: 1.0084575350602352
Energy: 1.0779108038268663
Energy: 1.0134050217068544
Energy: 1.018588365815787
Energy: 0.9370658523146896
Energy: 1.018588365815787
Energy: 0.9593892590615791
Energy: 1.0771776432152156
Energy: 1.0103131981538933
Energy: 1.0771776432152156
Energy: 1.010817395432614
Energy: 1.0441957021393056
Energy: 0.9372345194878097
Energy: 1.0441957021393056
Energy: 0.9099008442579342
Energy: 1.0193700266495354
Energy: 0.9672640887057731
Energy: 1.0193700266495354
Energy: 0.9809567266317931
Energy: 1.0117906080434955
Energy: 1.0063390952085807
Energy: 1.0117906080434955
Energy: 0.9099055414864211
Energy: 1.0192934989084705
Energy: 0.9590148776563944
Energy: 1.0192934989096913
Energy: 1.0108145776759498
Energy: 1.0443435150991438
Energy: 0.9371096947789874
Energy: 1.0443435150991438
Energy: 0.9592483323420763
Energy: 1.0771465083966947
Energy: 0.9653264535978797
Energy: 1.0771465083966947
Energy: 1.01350489717508
Energy: 1.018530555218648
Energy: 0.9371520640812313
Energy: 1.018530555218648
Energy: 1.0091611373780118
Energy: 1.0779399239630993
Energy: 0.9667622092954979
Energy: 1.0779399239630993
Energy: 0.9943009072299904
Energy: 1.0123357313440584
Energy: 0.9298156536537139
Energy: 1.0123357313440584
Energy: 1.0104455456196155
Energy: 0.9364669574620901
Energy: 0.9375460141138436
Energy: 0.9364669574620901

minimum gb energy = 0.9099008442579342 eV
minimum distance =  2.36328054432352 Angstroms
sigma value = 25


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

Energy: 0.9711182501341794
Energy: 1.1698997083756455
Energy: 1.073310758820019
Energy: 1.1698997083756455
Energy: 0.9570011539417008
Energy: 1.0911750833771436
Energy: 0.9479383906011891
Energy: 1.0911750833786533
Energy: 0.948359870967753
Energy: 1.0369775468723008
Energy: 0.9477707343212831
Energy: 1.036977546873811
Energy: 0.9708282556328288
Energy: 0.9617884676660825
Energy: 1.065472349202589
Energy: 0.9617884676660825
Energy: 1.062578154282355
Energy: 0.9573559025343884
Energy: 0.9808360473184774
Energy: 0.9573559025343884
Energy: 0.9515938811207219
Energy: 1.1024759212383732
Energy: 0.9498134718692798
Energy: 1.1024759212383732
Energy: 0.9478887004039865
Energy: 1.0865885253441978
Energy: 0.9478613174275637
Energy: 1.0865885253441978
Energy: 1.051889725393934
Energy: 1.0538567848941902
Energy: 0.9733269979195165
Energy: 1.0538567849002303
Energy: 0.9480776133703916
Energy: 1.0867059531756482
Energy: 0.9592198919741387
Energy: 1.0867059531756482
Energy: 1.091379139773946
Energy: 1.0376559745289053
Energy: 0.9496312199294283
Energy: 1.0376559745289053
Energy: 0.9802880258357386
Energy: 1.0872249781513375
Energy: 1.163254394342037
Energy: 1.0872249781513375
Energy: 0.9482775434654661
Energy: 0.9801568459571084
Energy: 1.0913973735957099
Energy: 0.9801568459571084
Energy: 1.054685555900313
Energy: 0.9809404970122888
Energy: 0.9475800705755892
Energy: 0.9809404970122888
Energy: 0.9477314501215108
Energy: 1.0861905263798437
Energy: 0.9712680446822941
Energy: 1.0861905263798437
Energy: 0.9812149981969325
Energy: 0.9479264027785952
Energy: 1.0519166607339479
Energy: 0.9479264027785952
Energy: 0.9584043607801792
Energy: 1.014360499612416
Energy: 0.9515562293115544
Energy: 1.014360499612416
Energy: 0.9479272270209002
Energy: 1.0320795973503822
Energy: 1.0896829470826632
Energy: 1.0320795973503822

minimum gb energy = 0.9475800705755892 eV
minimum distance =  2.3447238172431 Angstroms
sigma value = 17


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

Energy: 1.066601919483587
Energy: 1.0657319201121047
Energy: 1.1869295376285303
Energy: 1.0657319201121047
Energy: 1.1061675947158958
Energy: 1.0383050790973676
Energy: 0.9735451254013938
Energy: 1.0383050790973676
Energy: 1.087979813575519
Energy: 1.0634167790572875
Energy: 0.9732623719639116
Energy: 1.0634167790572875
Energy: 0.9750332515025268
Energy: 1.0681532794791861
Energy: 1.0444031774404359
Energy: 1.0681532794791861
Energy: 1.1110167211090203
Energy: 1.0532554492589592
Energy: 1.009350244507917
Energy: 1.0532554492589592
Energy: 0.9830331584580096
Energy: 1.0099261197070506
Energy: 1.0939821018440243
Energy: 1.0099261197070506
Energy: 0.9778214650013098
Energy: 1.0780233613803307
Energy: 0.973685811089748
Energy: 1.0780233613803307
Energy: 1.0866441607912325
Energy: 0.9870855409009399
Energy: 0.9900443943900468
Energy: 0.987085540901795
Energy: 0.9859750653938936
Energy: 1.113811225134655
Energy: 1.1076343396920985
Energy: 1.113811225134655
Energy: 1.173986337701896
Energy: 1.0389734904746144
Energy: 0.9738490657319905
Energy: 1.0389734904746144
Energy: 0.977470335945973
Energy: 0.9844580318366457
Energy: 1.0915505394378655
Energy: 0.984458031837501
Energy: 0.9816457291754827
Energy: 1.0739739393723364
Energy: 0.9815990950143852
Energy: 1.0739739393723364
Energy: 1.1055031996735756
Energy: 0.9848663116068094
Energy: 0.9806709601235369
Energy: 0.9848663116068094
Energy: 0.9735346721199105
Energy: 1.1705333188549718
Energy: 1.0970003122246337
Energy: 1.1705333188549718
Energy: 1.0530755277661652
Energy: 1.0800120549330121
Energy: 0.9858497528331995
Energy: 1.0800120549330121
Energy: 1.087899703159891
Energy: 0.9864872628476569
Energy: 1.08673032875154
Energy: 0.9864872628450914
Energy: 0.9740780667373977
Energy: 1.0691137692708532
Energy: 1.1846959894202949
Energy: 1.069113769269998
Energy: 1.0825170048739914
Energy: 1.0616250006959969
Energy: 0.9832725653747282
Energy: 1.0616250006959969
Energy: 0.97390688294029
Energy: 1.0827834572284567
Energy: 1.0387081054938434
Energy: 1.0827834572284567
Energy: 0.9736711084236448
Energy: 1.0744269244608324
Energy: 0.975414617909993
Energy: 1.0744269242967137
Energy: 1.0304976103381684
Energy: 1.0639646643673524
Energy: 1.0871886136833415
Energy: 1.0639646643673524
Energy: 0.973489641077176
Energy: 1.138169786452225
Energy: 1.1743919344771165
Energy: 1.138169786452225
Energy: 1.1002031085105295
Energy: 1.065953260586985
Energy: 0.9733213806674876
Energy: 1.065953260586985
Energy: 0.9811419711422495
Energy: 1.0785092003462118
Energy: 1.1006498382728673
Energy: 1.0785092003462118
Energy: 0.9809188451050596
Energy: 1.0632109808762473
Energy: 1.0994666293878825
Energy: 1.063210980875392
Energy: 1.1032315312185577
Energy: 1.0609157986051003
Energy: 0.9743233170438773
Energy: 1.0609157986059554
Energy: 0.9945818828408294
Energy: 1.1168961429192823
Energy: 1.196320592433322
Energy: 1.1168961429192823
Energy: 1.0851309453143179
Energy: 1.0106826166970462
Energy: 1.0883657444893544
Energy: 1.0106826166970462
Energy: 1.169446816227439
Energy: 1.165423938286791
Energy: 0.9776803072735706
Energy: 1.165423938286791
Energy: 0.9898556709043741
Energy: 1.1108511020693121
Energy: 1.085034941724239
Energy: 1.1108511020693121

minimum gb energy = 0.9732623719639116 eV
minimum distance =  2.2558768846985 Angstroms
sigma value = 53


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

Energy: 0.9285506831562649
Energy: 0.9277294513557491
Energy: 1.1951669943609202
Energy: 0.9277294513557491
Energy: 1.103017318991619
Energy: 1.0060438445419784
Energy: 1.0230393575769394
Energy: 1.0060438445419784
Energy: 0.929322972502938
Energy: 0.9275574289803241
Energy: 1.0232084596990856
Energy: 0.9275574289803241
Energy: 0.929167684853978
Energy: 0.9275474086812842
Energy: 1.0225754651993761
Energy: 0.9275474086812842
Energy: 1.1030370634862328
Energy: 1.0059706893665727
Energy: 0.97093529414368
Energy: 1.0059706893665727
Energy: 0.9285506831562649
Energy: 0.9277294513557491
Energy: 1.240416711138694
Energy: 0.9277294513557491
Energy: 1.103017318991619
Energy: 1.0060438445419784
Energy: 1.0796581644570522
Energy: 1.0060438445419784
Energy: 0.929322972502938
Energy: 0.9275574289803241
Energy: 1.0848431399971155
Energy: 0.9275574289803241
Energy: 0.929167684853978
Energy: 0.9275474086812842
Energy: 1.079682511469691
Energy: 0.9275474086812842
Energy: 1.1030370634862328
Energy: 1.0059706893665727
Energy: 1.0381394663134418
Energy: 1.0059706893665727
Energy: 0.9285506831562649
Energy: 0.9277294513557491
Energy: 1.240416711138694
Energy: 0.9277294513557491
Energy: 1.103017318991619
Energy: 1.0060438445419784
Energy: 1.0796581644570522
Energy: 1.0060438445419784
Energy: 0.929322972502938
Energy: 0.9275574289803241
Energy: 1.0848431399971155
Energy: 0.9275574289803241

minimum gb energy = 0.9275474086812842 eV
minimum distance =  2.32459813942822 Angstroms
sigma value = 9


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

Energy: 1.0189922435492944
Energy: 1.1524369189438943
Energy: 1.217432879570627
Energy: 1.1524369189438943
Energy: 1.1494087205781778
Energy: 1.0633265971151364
Energy: 1.0161281288680453
Energy: 1.0633265971151364
Energy: 1.008812914164816
Energy: 1.010332526906325
Energy: 1.0160428155968735
Energy: 1.010332526906325
Energy: 1.119199514754667
Energy: 1.1887257622133798
Energy: 1.0165772253809677
Energy: 1.1887257622126515
Energy: 1.1389704503367417
Energy: 1.0626733453331039
Energy: 1.0150983298602474
Energy: 1.0626733453323751
Energy: 1.0097216016567676
Energy: 1.009809835400097
Energy: 1.1275886417633947
Energy: 1.009809835400826
Energy: 1.290960445572478
Energy: 1.0598089253044187
Energy: 1.0156259661942875
Energy: 1.0598089253044187
Energy: 1.012944232023311
Energy: 1.0792093358383337
Energy: 1.1308939350571559
Energy: 1.0792093358412485
Energy: 1.0101516183760546
Energy: 1.089503983608685
Energy: 1.0143021775473524
Energy: 1.089503983608685
Energy: 1.009723806923468
Energy: 1.0598303775512639
Energy: 1.0155743688342045
Energy: 1.0598303775512639
Energy: 1.0130531711690864
Energy: 1.0788372676482216
Energy: 1.2815321212453252
Energy: 1.0788372676482216
Energy: 1.1451654384606644
Energy: 1.1500475423984082
Energy: 1.011319774050206
Energy: 1.1500475423984082
Energy: 1.0102615551779726
Energy: 1.082705018808995
Energy: 1.206628745815302
Energy: 1.0827050188104523
Energy: 1.1228588941956725
Energy: 1.1278769302432812
Energy: 1.021529904629095
Energy: 1.1278769302432812
Energy: 1.014029228969542
Energy: 1.1322963345130361
Energy: 1.1250058414012216
Energy: 1.1322963345130361
Energy: 1.0104598681003147
Energy: 1.1972727183314757
Energy: 1.1244700496433149
Energy: 1.1972727183300185
Energy: 1.0715073908458366
Energy: 1.1325807168473714
Energy: 1.013893423596226
Energy: 1.1325807168473714
Energy: 1.0134527469185803
Energy: 1.0600747640030739
Energy: 1.1375570761831204
Energy: 1.0600747640030739
Energy: 1.1305558517584928
Energy: 1.0836653712973732
Energy: 1.0107370578886465
Energy: 1.083665371298102
Energy: 1.0119213366517075
Energy: 1.069350548097921
Energy: 1.0799088708663667
Energy: 1.069350548097921
Energy: 1.1276088044576096
Energy: 1.1886658378111294
Energy: 1.1213139102533853
Energy: 1.1886658378111294
Energy: 1.0827749641040374
Energy: 1.1245597601580442
Energy: 1.0098176952243028
Energy: 1.1245597601580442
Energy: 1.014374136119365
Energy: 1.137637926775051
Energy: 1.0097750480619605
Energy: 1.137637926775051
Energy: 1.2945581303690898
Energy: 1.0815495972466114
Energy: 1.0121186630675716
Energy: 1.0815495972466114
Energy: 1.0158675079740977
Energy: 1.1626007885096696
Energy: 1.2362909734847443
Energy: 1.1626007885096696
Energy: 1.075399012343566
Energy: 1.0097353965797127
Energy: 1.0090662236217567
Energy: 1.0097353965797127
Energy: 1.129786974708144
Energy: 1.1341513801860685
Energy: 1.1188439112058124
Energy: 1.1341513801860685
Energy: 1.0249560411426764
Energy: 1.2277316687831603
Energy: 1.1189624920346875
Energy: 1.2277316687831603
Energy: 1.0708081081554448
Energy: 1.009518771850976
Energy: 1.0085472415535495
Energy: 1.009518771850976
Energy: 1.016188937294118
Energy: 1.1623628068568244
Energy: 1.232141755059527
Energy: 1.1623628068568244
Energy: 1.224645788135963
Energy: 1.0812422168078377
Energy: 1.0120589554255146
Energy: 1.0812422168078377
Energy: 1.0158120724833921
Energy: 1.0607105665213512
Energy: 1.0095077532492114
Energy: 1.0607105665213512
Energy: 1.0164484049511353
Energy: 1.1264105900766765
Energy: 1.0093368414319677
Energy: 1.1264105900774055
Energy: 1.1284133211917253
Energy: 1.1947351230153995
Energy: 1.1193239388884306
Energy: 1.1947351230153995
Energy: 1.0147254020579992
Energy: 1.1632428832816224
Energy: 1.2901745136402665
Energy: 1.1632428832808939

minimum gb energy = 1.0085472415535495 eV
minimum distance =  2.28306089957979 Angstroms
sigma value = 73


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

Energy: 1.0843971098906064
Energy: 1.0812974867520764
Energy: 1.215626807750888
Energy: 1.0812974867520764
Energy: 1.0848178023181063
Energy: 1.0956589820731923
Energy: 1.0152197741761841
Energy: 1.0956589820731923
Energy: 1.020126239335238
Energy: 1.0138436421683268
Energy: 1.0159104840604727
Energy: 1.0138436421683268
Energy: 1.0115866855657196
Energy: 1.021884285775245
Energy: 1.0239098839464946
Energy: 1.021884285775245
Energy: 1.0686335999743202
Energy: 1.095293339901139
Energy: 1.015892685176015
Energy: 1.095293339901139
Energy: 1.0254012281310372
Energy: 1.0158358166082198
Energy: 1.19656115707851
Energy: 1.0158358166082198
Energy: 1.2764750749727902
Energy: 1.1541644556303174
Energy: 1.0166737562470372
Energy: 1.1541644556303174
Energy: 1.0130807969271522
Energy: 1.011255524238179
Energy: 1.195532300713113
Energy: 1.011255524238179
Energy: 1.2449988525487072
Energy: 1.0121479394784008
Energy: 1.0140605060859142
Energy: 1.0121479394772446
Energy: 1.0174275422788837
Energy: 1.0893364602933928
Energy: 1.0174954486630514
Energy: 1.089336460294549
Energy: 1.0134813427624787
Energy: 1.0120437397419209
Energy: 1.1925980374203733
Energy: 1.0120437397419209
Energy: 1.13362337414893
Energy: 1.0225547951971097
Energy: 1.0108346609237693
Energy: 1.0225547951971097
Energy: 1.0241913714377278
Energy: 1.0813228282297445
Energy: 1.1982411388473881
Energy: 1.0813228282297445
Energy: 1.225459964256261
Energy: 1.142605753206623
Energy: 1.025950736783186
Energy: 1.142605753206623
Energy: 1.0113526468579368
Energy: 1.165181754967866
Energy: 1.1891731319164647
Energy: 1.165181754967866
Energy: 1.1923653077632994
Energy: 1.0116489467857215
Energy: 1.013327251755929
Energy: 1.0116489467857215
Energy: 1.0797801788865384
Energy: 1.0787067020383627
Energy: 1.0201335010239072
Energy: 1.0787067020383627
Energy: 1.079909659680743
Energy: 1.0215976439291201
Energy: 1.019656567526115
Energy: 1.0215976439291201
Energy: 1.1292052285207694
Energy: 1.011893813487753
Energy: 1.014063192829396
Energy: 1.011893813487753
Energy: 1.0160805219405766
Energy: 1.1016002640725011
Energy: 1.242778838824729
Energy: 1.1016002640725011
Energy: 1.2226228433656783
Energy: 1.0154891670724013
Energy: 1.0285823998738752
Energy: 1.0154891670724013
Energy: 1.0238877240072441
Energy: 1.0933998757373673
Energy: 1.102596266552398
Energy: 1.0933998757373673

minimum gb energy = 1.0108346609237693 eV
minimum distance =  2.28713475630719 Angstroms
sigma value = 7


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

Energy: 1.0880646594015442
Energy: 1.0407935508900972
Energy: 1.2655261389492232
Energy: 1.0407935508900972
Energy: 1.1765412033651137
Energy: 1.0805781158996568
Energy: 1.0175509741999895
Energy: 1.0805781158996568
Energy: 1.0172612593870445
Energy: 1.0370224927308356
Energy: 1.0343212392288537
Energy: 1.037022492730018
Energy: 1.044182543774636
Energy: 1.1388258120203787
Energy: 1.0285386691423328
Energy: 1.1388258120203787
Energy: 1.0264464885454456
Energy: 1.0821709630647098
Energy: 1.03751963079098
Energy: 1.0821709630647098
Energy: 1.02000990918141
Energy: 1.0380172267006178
Energy: 1.1795061411407353
Energy: 1.0380172267006178
Energy: 1.1375125818311183
Energy: 1.1093467239079255
Energy: 1.0356231220864305
Energy: 1.1093467239079255
Energy: 1.0199590793734725
Energy: 1.0377254523805912
Energy: 1.2322274789802554
Energy: 1.0377254523805912
Energy: 1.1412513876827592
Energy: 1.1335528960499006
Energy: 1.0294522114972782
Energy: 1.1335528960499006
Energy: 1.0125958404408346
Energy: 1.1036526024206017
Energy: 1.17460688627165
Energy: 1.1036526024206017
Energy: 1.0335190897776283
Energy: 1.0385026722482371
Energy: 1.0399571628069866
Energy: 1.0385026722482371
Energy: 1.046393650868988
Energy: 1.1313980305501672
Energy: 1.047703301178807
Energy: 1.1313980305501672
Energy: 1.0414028894712428
Energy: 1.089370405466556
Energy: 1.0493926919909355
Energy: 1.089370405466556
Energy: 1.0541864287862273
Energy: 1.0331373890679685
Energy: 1.0429300216482382
Energy: 1.0331373890679685
Energy: 1.0110982711716676
Energy: 1.2655349795641087
Energy: 1.1342517172613626
Energy: 1.2655349795641087
Energy: 1.2272126082582282
Energy: 1.0315726615378724
Energy: 1.0330900410754267
Energy: 1.0315726615378724
Energy: 1.0190806508947174
Energy: 1.0901481160149837
Energy: 1.0506318846829095
Energy: 1.0901481160149837
Energy: 1.0385076714141477
Energy: 1.068110799167703
Energy: 1.0477901822413451
Energy: 1.068110799167703
Energy: 1.01913982218509
Energy: 1.0385897988076243
Energy: 1.0452049590074837
Energy: 1.0385897988076243
Energy: 1.0210737941512211
Energy: 1.0941495005927615
Energy: 1.0902966829580556
Energy: 1.0941495005927615
Energy: 1.0412873081027567
Energy: 1.176070982336762
Energy: 1.0286675405525654
Energy: 1.176070982336762
Energy: 1.0128759440901811
Energy: 1.0385076588230762
Energy: 1.1269106732203205
Energy: 1.0385076588230762
Energy: 1.2101288415357507
Energy: 1.0882914322379036
Energy: 1.0297108381952764
Energy: 1.0882914322379036
Energy: 1.0877583567113005
Energy: 1.086785592588251
Energy: 1.2217413004339674
Energy: 1.086785592588251
Energy: 1.0943328384514708
Energy: 1.0834618106993665
Energy: 1.041675978117649
Energy: 1.0834618106993665
Energy: 1.0366792407848011
Energy: 1.0373557408464817
Energy: 1.0321342415397157
Energy: 1.0373557408464817
Energy: 1.0173463052968381
Energy: 1.142404070912834
Energy: 1.1289960362586795
Energy: 1.142404070912834
Energy: 1.0923642604136954
Energy: 1.0806806940808917
Energy: 1.0276723269946353
Energy: 1.0806806940808917
Energy: 1.0232180667874595
Energy: 1.0376376989419405
Energy: 1.1397268332815558
Energy: 1.0376376989419405
Energy: 1.0418523119072343
Energy: 1.0419901798717455
Energy: 1.0176044558588353
Energy: 1.0419901798717455
Energy: 1.0232482240547676
Energy: 1.0384909893229604
Energy: 1.1160065675476512
Energy: 1.0384909893229604

minimum gb energy = 1.0110982711716676 eV
minimum distance =  2.26789985314648 Angstroms
sigma value = 29


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

Energy: 0.9931144869012293
Energy: 0.9836127313682402
Energy: 1.1406239981786683
Energy: 0.9836127313682402
Energy: 0.962065723170148
Energy: 0.9962564234787029
Energy: 0.9948228645196577
Energy: 0.9962564234792725
Energy: 0.9656805079722436
Energy: 1.0397741726912106
Energy: 1.0814330901518039
Energy: 1.0397741726912106
Energy: 0.9946224243118239
Energy: 0.9643780644349389
Energy: 0.9949841954071167
Energy: 0.9643780644349389
Energy: 0.9934319021669934
Energy: 1.0215134206952867
Energy: 1.0083208627905358
Energy: 1.0215134206952867
Energy: 0.9884301064895715
Energy: 1.0408441496481107
Energy: 0.9885587198100073
Energy: 1.0408441496481107
Energy: 0.9847253392416756
Energy: 1.0214909103941767
Energy: 0.993458143513361
Energy: 1.0214909103941767
Energy: 0.9957946304129471
Energy: 0.9635925220081493
Energy: 0.9945698364304637
Energy: 0.9635925220081493
Energy: 1.0813649011316178
Energy: 1.0398762855791264
Energy: 0.9641611896364081
Energy: 1.0398762855791264

minimum gb energy = 0.962065723170148 eV
minimum distance =  2.31799596221305 Angstroms
sigma value = 5


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

Energy: 0.9796482742281288
Energy: 0.9751392140888646
Energy: 1.124223830518025
Energy: 0.9751392140888646
Energy: 1.0994662302304865
Energy: 1.02484063807977
Energy: 0.9329670604103887
Energy: 1.02484063807977
Energy: 0.942836487428454
Energy: 0.9728004932232095
Energy: 1.120813843041903
Energy: 0.9728004932232095
Energy: 0.9447281678280371
Energy: 1.0171616826784382
Energy: 0.9583269168323241
Energy: 1.0171616826784382
Energy: 0.9463615046880216
Energy: 1.0239723185048857
Energy: 1.1202838683509118
Energy: 1.0239723185056577
Energy: 0.9655088675414166
Energy: 0.9816864642255048
Energy: 0.9465116929016254
Energy: 0.9816864642255048
Energy: 0.9535446237937678
Energy: 1.0291650487489146
Energy: 0.9451054102481515
Energy: 1.0291650487489146
Energy: 0.9516899194365193
Energy: 0.9833278884141332
Energy: 0.9400519388262873
Energy: 0.9833278884141332
Energy: 0.9663134580929402
Energy: 1.0970673631619663
Energy: 0.9382280136385547
Energy: 1.0970673631619663
Energy: 0.9632603935127257
Energy: 1.0189978166409053
Energy: 0.9709120847882761
Energy: 1.0189978166409053
Energy: 0.9524889524492085
Energy: 0.9829016917610393
Energy: 0.9449982739417129
Energy: 0.9829016917610393
Energy: 0.9449706314784894
Energy: 0.9867410146950003
Energy: 1.0739353021047404
Energy: 0.986741014694228
Energy: 0.975317542722906
Energy: 0.9803655536194019
Energy: 0.9807739970633841
Energy: 0.9803655536194019
Energy: 0.9491348011106494
Energy: 0.9806670745975705
Energy: 0.9864159432270087
Energy: 0.9806670745975705
Energy: 1.044124909246209
Energy: 1.0191893481017467
Energy: 0.9443771973259945
Energy: 1.0191893481017467
Energy: 0.9599674574283442
Energy: 0.9658146916119719
Energy: 1.1060148399828305
Energy: 0.9658146916119719
Energy: 1.1222847963227893
Energy: 1.0248269207303602
Energy: 0.9449593406944832
Energy: 1.0248269207303602
Energy: 0.9562088237160579
Energy: 0.9804131019853175
Energy: 1.0318509137443246
Energy: 0.9804131019845452
Energy: 0.9563238328942795
Energy: 1.0301584699027324
Energy: 0.9487191123693477
Energy: 1.0301584699027324
Energy: 0.9405157165866473
Energy: 1.0194178538667833
Energy: 0.9690389927630613
Energy: 1.0194178538667833
Energy: 0.9329624363406309
Energy: 0.9813854505779994
Energy: 0.9604004472496546
Energy: 0.9813854505779994
Energy: 0.95761190067798
Energy: 1.0205716823581106
Energy: 0.9552740978088448
Energy: 1.0205716823581106
Energy: 0.9358436447532987
Energy: 0.9826103730767175
Energy: 0.9336738773435213
Energy: 0.9826103730767175
Energy: 1.0718918350331594
Energy: 0.9804839697385926
Energy: 0.9397660547510935
Energy: 0.9804839697385926
Energy: 1.0659949472269032
Energy: 0.9663953548530997
Energy: 0.947332238577843
Energy: 0.9663953548530997
Energy: 0.969922343276943
Energy: 0.9806038410967718
Energy: 0.9495353158503099
Energy: 0.9806038410967718
Energy: 0.9356405773012885
Energy: 1.0110814590601318
Energy: 1.0411909142684828
Energy: 1.0110814590601318
Energy: 0.9744951535245548
Energy: 1.0030068374639454
Energy: 0.9586555998452848
Energy: 1.0030068374639454
Energy: 0.9392622580016248
Energy: 1.027877549828072
Energy: 1.0529004958323407
Energy: 1.027877549828072
Energy: 1.1231582946389955
Energy: 0.9801720197098136
Energy: 0.955019495574186
Energy: 0.9801720197098136
Energy: 0.9462955968980081
Energy: 0.9693658631769934
Energy: 1.0362070854940153
Energy: 0.9693658631777657
Energy: 1.1211337269054598
Energy: 1.0024910058997267
Energy: 0.94349919414603
Energy: 1.0024910058997267
Energy: 0.9622028807545948
Energy: 0.9828574421940143
Energy: 0.9348783163061731
Energy: 0.9828574421940143

minimum gb energy = 0.9329624363406309 eV
minimum distance =  2.27327222782534 Angstroms
sigma value = 1


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

Energy: 0.9384520183778792
Energy: 0.9376162656451332
Energy: 0.9113470864505235
Energy: 0.9376162656451332
Energy: 0.9337049406569317
Energy: 0.9520377963729431
Energy: 0.894966899314839
Energy: 0.9520377963729431
Energy: 0.8871499626918562
Energy: 0.9378494153732178
Energy: 1.2247934822006525
Energy: 0.9378494153742856
Energy: 0.910468687757742
Energy: 0.9957292521348606
Energy: 0.8962798566423301
Energy: 0.9957292521348606
Energy: 0.887171598692614
Energy: 1.0244786619758268
Energy: 0.9100252237468407
Energy: 1.0244786619758268
Energy: 0.885472834092524
Energy: 0.941401494693324
Energy: 0.8963775031452811
Energy: 0.941401494693324
Energy: 0.8870526899994973
Energy: 1.0241105891081712
Energy: 0.909557923079379
Energy: 1.0241105891081712
Energy: 0.8872877940170264
Energy: 0.9409971691334738
Energy: 0.9349301831206642
Energy: 0.9409971691334738
Energy: 0.937088461813739
Energy: 0.9332291412805142
Energy: 0.9562728855146788
Energy: 0.9332291412805142
Energy: 0.9369790034391164
Energy: 0.9334203799086528
Energy: 0.9348228030634217
Energy: 0.9334203799097205
Energy: 0.8878224722607354
Energy: 0.940981909952979
Energy: 0.9566661888494271
Energy: 0.940981909952979
Energy: 0.8870645176889798
Energy: 1.024056374623646
Energy: 0.9170767689692506
Energy: 1.024056374623646
Energy: 0.885501008323236
Energy: 0.9413724784095082
Energy: 0.8962634705283148
Energy: 0.9413724784095082
Energy: 0.8872129730920397
Energy: 1.0244608214408184
Energy: 1.0562774735111322
Energy: 1.0244608214408184
Energy: 0.910250172724621
Energy: 0.995719707000282
Energy: 0.8964495748599112
Energy: 0.995719707000282
Energy: 0.8871452224965583
Energy: 0.9377296232975288
Energy: 0.9791181035154323
Energy: 0.9377296232975288
Energy: 0.9336197865303818
Energy: 0.952029342166967
Energy: 0.8948957288497111
Energy: 0.952029342166967
Energy: 0.9384520183778792
Energy: 0.9376162656451332
Energy: 1.100061143133779
Energy: 0.9376162656451332
Energy: 0.9337049406569317
Energy: 0.9520377963729431
Energy: 0.894966899314839
Energy: 0.9520377963729431
Energy: 0.8871499626918562
Energy: 0.9378494153742856
Energy: 1.2247934822006525
Energy: 0.9378494153742856
Energy: 0.910468687757742
Energy: 0.9957292521348606
Energy: 0.8962798566423301
Energy: 0.9957292521348606
Energy: 0.887171598692614
Energy: 1.0244786619758268
Energy: 0.910025223723375
Energy: 1.0244786619758268
Energy: 0.8854728340914562
Energy: 0.941401494693324
Energy: 0.8963775031452811
Energy: 0.941401494693324
Energy: 0.8870526899994973
Energy: 1.0241105891081712
Energy: 0.9095579230804468
Energy: 1.0241105891081712

minimum gb energy = 0.8854728340914562 eV
minimum distance =  2.29382993783582 Angstroms
sigma value = 17


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

Energy: 0.9279940094578498
Energy: 0.9268543106670821
Energy: 1.081582426738092
Energy: 0.9268543106670821
Energy: 1.0517627497360957
Energy: 0.9150546053733596
Energy: 0.8960436183124115
Energy: 0.9150546053733596
Energy: 0.8950792697628429
Energy: 0.9163944136419439
Energy: 1.1098539133852083
Energy: 0.9163944136419439
Energy: 0.9291855483255169
Energy: 0.8923260658891149
Energy: 0.8926956771346207
Energy: 0.8923260658897748
Energy: 0.8886678387310173
Energy: 0.9843542707688331
Energy: 0.9065206748613147
Energy: 0.9843542707688331
Energy: 0.8858191044725667
Energy: 0.9014679910700462
Energy: 0.9062640949968785
Energy: 0.9014679910693862
Energy: 0.9000957085327487
Energy: 0.9696243973097248
Energy: 0.9187123690376795
Energy: 0.9696243973097248
Energy: 0.8853935376393779
Energy: 0.9589776261403864
Energy: 0.8918607159575208
Energy: 0.9589776261403864
Energy: 0.9260685575592091
Energy: 1.0765111055509333
Energy: 0.9252304126616991
Energy: 1.0765111055509333
Energy: 0.9281834633676859
Energy: 0.9581721518408852
Energy: 0.8981012699579901
Energy: 0.9581721518402254
Energy: 0.8946168449132098
Energy: 0.9385151542949413
Energy: 0.8953139477026878
Energy: 0.9385151542949413
Energy: 0.8980366340068805
Energy: 0.962739255412255
Energy: 0.900581067660044
Energy: 0.962739255412255
Energy: 0.8839080936146849
Energy: 0.953032675783274
Energy: 0.8990969988612215
Energy: 0.953032675781954
Energy: 0.8958860250058861
Energy: 0.9832152546093377
Energy: 0.9461468349285241
Energy: 0.9832152546099975
Energy: 0.8841894903402628
Energy: 0.8958466894433784
Energy: 0.9352119024745462
Energy: 0.8958466894427184
Energy: 0.8947063946843352
Energy: 0.9179532744748167
Energy: 0.9063323564280026
Energy: 0.9179532744748167
Energy: 0.9144122831732678
Energy: 0.8945852256244488
Energy: 0.8989958235688502
Energy: 0.8945852256244488
Energy: 0.8899429224027893
Energy: 0.9275650423730472
Energy: 0.8987925713971839
Energy: 0.9275650423717273
Energy: 1.0256211037896894
Energy: 0.9654249004363011
Energy: 0.8954527694379745
Energy: 0.9654249004369609
Energy: 0.9029562662935764
Energy: 0.9166579731159746
Energy: 0.9411563697416805
Energy: 0.9166579731166347
Energy: 0.9090007046843245
Energy: 0.9079775870694208
Energy: 0.8917543264871924
Energy: 0.9079775870694208
Energy: 0.8905892114328484
Energy: 0.9285025530677967
Energy: 0.9576307657074524
Energy: 0.9285025530677967
Energy: 0.9181263251980939
Energy: 0.9051440179826206
Energy: 0.9038753796696537
Energy: 0.9051440179826206
Energy: 0.8948776169713621
Energy: 0.9712049905139039
Energy: 1.0767116819302884
Energy: 0.9712049905139039
Energy: 0.9140595219290214
Energy: 0.9280408511236627
Energy: 0.8915758422174833
Energy: 0.9280408511236627
Energy: 0.8894835989217911
Energy: 0.9854336261438246
Energy: 0.9107063650748448
Energy: 0.9854336261444846
Energy: 1.0388965463781823
Energy: 0.9517203192047565
Energy: 0.8960786177286321
Energy: 0.9517203192054164
Energy: 0.9389500879818105
Energy: 1.0609128603814115
Energy: 0.8985181464986834
Energy: 1.0609128603814115
Energy: 0.9427142969285427
Energy: 0.9828556372799195
Energy: 0.8894207048698635
Energy: 0.9828556372805796
Energy: 0.8895706226867646
Energy: 0.9513562117421805
Energy: 0.9324433444447274
Energy: 0.9513562117428406
Energy: 0.8922546897114294
Energy: 0.9828409235955398
Energy: 0.9002883367393215
Energy: 0.9828409235955398
Energy: 0.893077453628362
Energy: 1.058282607667665
Energy: 0.891962583008044
Energy: 1.058282607667665
Energy: 0.896035555408215
Energy: 0.9597971562047067
Energy: 1.0598619528840105
Energy: 0.9597971562040468
Energy: 0.9400960854017757
Energy: 1.0742582851282478
Energy: 0.9041495572435722
Energy: 1.0742582851282478
Energy: 0.892936670814282
Energy: 0.9287230943315207
Energy: 0.9228548971341081
Energy: 0.9287230943315207
Energy: 0.9201889705188941
Energy: 0.9710461277027326
Energy: 0.8988643805272463
Energy: 0.9710461277027326
Energy: 0.903876938701519
Energy: 0.9016995618779216
Energy: 0.8879029526054117
Energy: 0.9016995618779216
Energy: 0.9074433668621771
Energy: 0.985799168391326
Energy: 0.8905740433300352
Energy: 0.985799168391326

minimum gb energy = 0.8839080936146849 eV
minimum distance =  2.28584910024864 Angstroms
sigma value = 89


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

Energy: 0.8206075697578373
Energy: 0.8202419475400287
Energy: 0.8562562788821825
Energy: 0.8202419475400287
Energy: 0.8289549296695997
Energy: 0.8470473218369644
Energy: 0.8306423708471439
Energy: 0.8470473218369644
Energy: 0.8292634019925216
Energy: 0.9664742381986567
Energy: 1.3498732596633103
Energy: 0.9664742381986567
Energy: 0.8204778902770126
Energy: 0.8470115298616462
Energy: 0.8305756404187692
Energy: 0.8470115298616462
Energy: 0.8301330315637435
Energy: 0.902917565476703
Energy: 0.8347836178518039
Energy: 0.902917565476703
Energy: 0.8288347156017647
Energy: 0.8218899564646257
Energy: 0.8248871159169999
Energy: 0.8218899564646257
Energy: 0.8297146971894266
Energy: 0.9664560545915907
Energy: 0.820153989881775
Energy: 0.9664560545915907
Energy: 0.8262145253244865
Energy: 0.9655673965174681
Energy: 0.8308420255726665
Energy: 0.9655673965174681
Energy: 0.8304294547706026
Energy: 0.9034287855628801
Energy: 0.8165632442537338
Energy: 0.9034287855628801
Energy: 0.8480465752856984
Energy: 1.029087593392187
Energy: 0.8216031042172174
Energy: 1.029087593392187
Energy: 0.8202139406297383
Energy: 0.8479994320175402
Energy: 0.8287270970787091
Energy: 0.8479994320175402
Energy: 0.8199176480089245
Energy: 0.9675620532129624
Energy: 0.8306147662857286
Energy: 0.9675620532129624
Energy: 0.8303149765091745
Energy: 0.8230860713335031
Energy: 0.8167586968219235
Energy: 0.8230860713335031
Energy: 0.8222421753159023
Energy: 0.9011694384951082
Energy: 0.8222448550464587
Energy: 0.9011694384951082
Energy: 0.8240016163092414
Energy: 0.823065386543551
Energy: 0.8299214532459254
Energy: 0.823065386543551

minimum gb energy = 0.8165632442537338 eV
minimum distance =  2.30309678611309 Angstroms
sigma value = 13


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

Energy: 0.814116950799233
Energy: 0.7843237010317726
Energy: 0.9977620140375922
Energy: 0.7843237010317726
Energy: 0.9487226240358643
Energy: 0.8035540469540216
Energy: 0.779552706837906
Energy: 0.8035540469540216
Energy: 0.7859418630095947
Energy: 0.7848685013197085
Energy: 0.9304172431112437
Energy: 0.7848685013204324
Energy: 0.7876434068003682
Energy: 0.8043255409108117
Energy: 0.775601289608475
Energy: 0.804325540910088
Energy: 0.7944879136625675
Energy: 0.8458449462236282
Energy: 0.7898141477855082
Energy: 0.8458449462236282
Energy: 0.7864522507602496
Energy: 0.8045538173560913
Energy: 0.7953912174238515
Energy: 0.8045538173560913
Energy: 0.7942214009623839
Energy: 0.8474786785489782
Energy: 0.8801395967009631
Energy: 0.8474786785489782
Energy: 0.7775610736521533
Energy: 0.8033951798324949
Energy: 0.7955662694285471
Energy: 0.8033951798324949
Energy: 0.794206166786117
Energy: 0.847578136287873
Energy: 0.9211783535852294
Energy: 0.847578136287873
Energy: 0.9337866821298788
Energy: 0.8628422426485817
Energy: 0.7757428034012176
Energy: 0.8628422426485817
Energy: 0.7943352642815877
Energy: 0.8639957607362538
Energy: 0.7790950744634236
Energy: 0.8639957607362538
Energy: 0.811152034995731
Energy: 0.8627802066281497
Energy: 0.7745567870470517
Energy: 0.8627802066288734
Energy: 0.8227517771571123
Energy: 0.7985507982580536
Energy: 0.7824417889491814
Energy: 0.7985507982580536
Energy: 1.0776245399750828
Energy: 0.8629559659731272
Energy: 0.7746685710634784
Energy: 0.8629559659731272
Energy: 0.7936797522408147
Energy: 0.7847960265957209
Energy: 0.7828455085553553
Energy: 0.7847960265957209
Energy: 0.780668064135396
Energy: 0.863436660775772
Energy: 0.7780838944288307
Energy: 0.8634366607764958
Energy: 0.7905022855227112
Energy: 0.841341948910396
Energy: 0.7784051590657334
Energy: 0.841341948910396
Energy: 0.7912629447461205
Energy: 0.8451688264688149
Energy: 0.804094679188649
Energy: 0.8451688264688149
Energy: 0.7910487422171032
Energy: 0.7986990350941434
Energy: 0.8039917268233993
Energy: 0.7986990350934198
Energy: 0.7907455844491361
Energy: 0.7990506279118018
Energy: 0.8039560864044744
Energy: 0.7990506279110781
Energy: 0.7912336535201819
Energy: 0.8451179514895124
Energy: 0.8039956559193339
Energy: 0.8451179514895124
Energy: 0.7909900444581336
Energy: 0.8412030182227123
Energy: 0.7783159418610612
Energy: 0.8412030182227123
Energy: 0.7981866282889785
Energy: 0.863431967603618
Energy: 0.7783680906488284
Energy: 0.863431967603618
Energy: 0.7937165839227661
Energy: 0.7849041052650936
Energy: 0.7795654220502031
Energy: 0.7849041052650936
Energy: 1.0773305339273023
Energy: 0.8630309403134337
Energy: 0.774678425906296
Energy: 0.8630309403148813
Energy: 0.822279152442659
Energy: 0.7986645795793644
Energy: 0.7794064765646362
Energy: 0.7986645795793644
Energy: 0.8113653119532125
Energy: 0.8625150603178956
Energy: 0.7744764525208645
Energy: 0.8625150603178956
Energy: 0.7934063315550962
Energy: 0.8637461370989968
Energy: 0.779149887388142
Energy: 0.8637461370989968
Energy: 0.9332519682719862
Energy: 0.8630918267862595
Energy: 0.7754960993133951
Energy: 0.8630918267862595
Energy: 0.7942375754478517
Energy: 0.8476877656716147
Energy: 1.032852986279747
Energy: 0.8476877656716147
Energy: 0.7772475507049945
Energy: 0.8035428118735514
Energy: 0.795602393112662
Energy: 0.8035428118742751
Energy: 0.7942748420746195
Energy: 0.8475096190469679
Energy: 0.9175262484282739
Energy: 0.8475096190469679
Energy: 0.7861432097341731
Energy: 0.8044457630950509
Energy: 0.7956318482951071
Energy: 0.8044457630950509
Energy: 0.7944515437543597
Energy: 0.8458314119003675
Energy: 0.7876730221417033
Energy: 0.8458314119003675
Energy: 0.7857081104676078
Energy: 0.8043228277386252
Energy: 0.7755320716465846
Energy: 0.8043228277386252

minimum gb energy = 0.7744764525208645 eV
minimum distance =  2.31753556226177 Angstroms
sigma value = 37


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

Energy: 0.868961156039477
Energy: 0.8679956290163113
Energy: 0.7242916913253769
Energy: 0.8679956290163113
Energy: 0.8535662046953557
Energy: 0.7445299832084695
Energy: 0.7166440238597989
Energy: 0.7445299832084695
Energy: 0.7393591897529964
Energy: 0.8428107477881602
Energy: 0.989290516833903
Energy: 0.8428107477881602
Energy: 0.8251140890778799
Energy: 0.744681228047006
Energy: 0.7241052926975424
Energy: 0.744681228047006
Energy: 0.7217844225889397
Energy: 0.7445298794728346
Energy: 0.7455227515492633
Energy: 0.7445298794728346
Energy: 0.7203055300685802
Energy: 0.7444249563201578
Energy: 0.830226285153601
Energy: 0.7444249563201578
Energy: 0.7318963709172008
Energy: 0.8858443497145454
Energy: 1.0602537848528009
Energy: 0.8858443497145454
Energy: 0.705369366226921
Energy: 0.7455156013651949
Energy: 0.7476637534494589
Energy: 0.7455156013651949
Energy: 0.717121181934655
Energy: 0.7446057483014072
Energy: 1.0592117096899698
Energy: 0.7446057483014072
Energy: 0.9961373934815804
Energy: 0.8322171424860373
Energy: 0.8301316016436792
Energy: 0.8322171424860373
Energy: 0.7219072658399129
Energy: 0.805172925269371
Energy: 0.8275854092682293
Energy: 0.805172925269371
Energy: 0.9960053501744262
Energy: 0.7446416252093911
Energy: 0.7228175519082016
Energy: 0.7446416252106363
Energy: 0.8328804364079166
Energy: 0.7444602283013326
Energy: 0.711622582046129
Energy: 0.7444602283013326
Energy: 1.069332245940183
Energy: 0.7794620646584483
Energy: 0.7118533875740826
Energy: 0.7794620646572031
Energy: 0.868199924120628
Energy: 0.7791515975475295
Energy: 0.7068611217529823
Energy: 0.7791515975475295
Energy: 0.8685739911633618
Energy: 0.7454689717308864
Energy: 0.7205864416336577
Energy: 0.7454689717308864
Energy: 0.8329369909906758
Energy: 0.833674998634033
Energy: 0.7019101967523479
Energy: 0.833674998634033
Energy: 0.8293848077923692
Energy: 0.8924563551815551
Energy: 0.7217970966467271
Energy: 0.8924563551815551
Energy: 0.7220440402183005
Energy: 0.7461163759332341
Energy: 0.7184674285953192
Energy: 0.7461163759332341
Energy: 0.7182720399142719
Energy: 0.7453285744266505
Energy: 0.8285126102632149
Energy: 0.7453285744266505

minimum gb energy = 0.7019101967523479 eV
minimum distance =  2.32115998745056 Angstroms
sigma value = 25


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

Energy: 0.7792137274580061
Energy: 0.6603913692531859
Energy: 0.6370578159477398
Energy: 0.6603913692531859
Energy: 0.9097965555093459
Energy: 0.749277832286737
Energy: 0.6507886556125856
Energy: 0.749277832286737
Energy: 0.7392585878211153
Energy: 0.6570372110478828
Energy: 0.8486808035907849
Energy: 0.6570372110478828
Energy: 0.743641206138085
Energy: 0.7635292652719029
Energy: 0.6521115516447711
Energy: 0.7635292652719029
Energy: 0.6604295844169615
Energy: 0.663836864459671
Energy: 0.6508376966144411
Energy: 0.663836864459671
Energy: 0.7207955701118448
Energy: 0.7397498557539903
Energy: 0.6603950972459919
Energy: 0.7397498557539903
Energy: 0.6505599591852019
Energy: 0.6450423765678419
Energy: 0.7449103221221463
Energy: 0.6450423765678419
Energy: 0.632375603637053
Energy: 0.7683420252138037
Energy: 0.7404900109708042
Energy: 0.7683420252138037
Energy: 0.6501168259871739
Energy: 0.6680939753491723
Energy: 0.9338636333561052
Energy: 0.6680939753491723
Energy: 0.6257114614797368
Energy: 0.7358847506376424
Energy: 0.6862414300687376
Energy: 0.7358847506376424
Energy: 0.6506161946694682
Energy: 0.6451641626108283
Energy: 1.0089893941709438
Energy: 0.6451641626098561
Energy: 0.8509885279081932
Energy: 0.9163108788266062
Energy: 0.7404178144938428
Energy: 0.9163108788266062
Energy: 0.6533656825979771
Energy: 0.6770514265686224
Energy: 0.9130891810205894
Energy: 0.6770514265686224
Energy: 0.8590198718123565
Energy: 0.7177212062838685
Energy: 0.6604689182981893
Energy: 0.7177212062838685
Energy: 0.6627012366440305
Energy: 0.6455600459913166
Energy: 0.7211854132477016
Energy: 0.6455600459913166
Energy: 0.9408263226113783
Energy: 0.9159585764675077
Energy: 0.6537023263234668
Energy: 0.9159585764675077
Energy: 0.7438058667689043
Energy: 0.6843114216831511
Energy: 0.6394762641710938
Energy: 0.6843114216821787
Energy: 0.9285554652552772
Energy: 0.6631785842092667
Energy: 0.6507020894544584
Energy: 0.6631785842092667
Energy: 0.7836133330493338
Energy: 0.6573696845270061
Energy: 0.634895625872066
Energy: 0.6573696845270061
Energy: 1.079621830537483
Energy: 0.838371101745044
Energy: 0.6535888436452006
Energy: 0.838371101745044
Energy: 0.7438193344635649
Energy: 0.7563085845079333
Energy: 0.6234851493105356
Energy: 0.7563085845079333
Energy: 0.7394279838942576
Energy: 0.6776954907679803
Energy: 0.6556721603285304
Energy: 0.6776954907679803
Energy: 0.6630203774276046
Energy: 0.7163429350143313
Energy: 0.8587152256801606
Energy: 0.7163429350143313
Energy: 0.7262541782624982
Energy: 0.7575776816364249
Energy: 0.6593436702056786
Energy: 0.7575776816354526
Energy: 0.6487186856579362
Energy: 0.7561134928057155
Energy: 0.9411950443053467
Energy: 0.7561134928057155
Energy: 0.6319057304911447
Energy: 0.6852249605978862
Energy: 0.7450132554884421
Energy: 0.6852249605978862

minimum gb energy = 0.6234851493105356 eV
minimum distance =  2.32735890731314 Angstroms
sigma value = 41


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

Energy: 0.8792080759474709
Energy: 0.6008646492592439
Energy: 0.9913498849280484
Energy: 0.6008646492592439
Energy: 0.900625888308975
Energy: 0.5875245621262118
Energy: 0.5801328473595172
Energy: 0.5875245621254148
Energy: 0.5997048563566607
Energy: 0.5780708112968214
Energy: 0.7647881100550534
Energy: 0.5780708112968214
Energy: 0.7437469060956122
Energy: 0.5878089830576182
Energy: 0.5799884097404432
Energy: 0.5878089830576182
Energy: 0.5765154100187627
Energy: 0.7530455435365769
Energy: 0.5837607332627277
Energy: 0.7530455435365769
Energy: 0.5869540397862253
Energy: 0.5878798041606934
Energy: 0.5799833629321962
Energy: 0.587879804159099
Energy: 0.5794394645153562
Energy: 0.7302744066063523
Energy: 0.586387093466496
Energy: 0.7302744066063523
Energy: 0.5654948993058856
Energy: 0.600068897767308
Energy: 0.5772764948146596
Energy: 0.600068897767308
Energy: 0.582163399209392
Energy: 0.6008499387003297
Energy: 0.8204414750383104
Energy: 0.6008499387162725
Energy: 0.5648041735940986
Energy: 0.578496431638285
Energy: 0.6004413590724056
Energy: 0.578496431638285
Energy: 0.579486299134545
Energy: 0.587395008542034
Energy: 1.0141514940864693
Energy: 0.5873950085412369
Energy: 0.5659644738297877
Energy: 0.602042151128302
Energy: 0.8797573104514123
Energy: 0.6020421511275048
Energy: 0.5822216910210688
Energy: 0.6019876026553375
Energy: 1.0131007038904782
Energy: 0.6019876026545403
Energy: 0.7469456872165916
Energy: 0.6666229499481229
Energy: 0.6004067268215069
Energy: 0.6666229499473256
Energy: 0.5795185386709726
Energy: 0.5874316350326471
Energy: 0.8911303582867308
Energy: 0.5874316350326471
Energy: 0.7541720393397505
Energy: 0.7388635813050531
Energy: 0.5772653451673637
Energy: 0.7388635813050531
Energy: 0.5820996304416337
Energy: 0.6008444385664627
Energy: 0.7330591537796348
Energy: 0.6008444385664627
Energy: 0.7565127587323089
Energy: 0.6596570811227487
Energy: 0.5800733691775494
Energy: 0.6596570811227487
Energy: 0.5793970818707602
Energy: 0.600376213567216
Energy: 0.5655426761824559
Energy: 0.6003762135664191
Energy: 0.7591016456729907
Energy: 0.7388825823175046
Energy: 0.5847414922218948
Energy: 0.7388825823206931
Energy: 0.602380612638161
Energy: 0.6008368584599965
Energy: 0.5643568358845843
Energy: 0.6008368584599965
Energy: 1.010719799952176
Energy: 0.6743905600063137
Energy: 0.5801270803341423
Energy: 0.6743905600071107
Energy: 0.881426005377995
Energy: 0.7398048999315116
Energy: 0.5786362241389255
Energy: 0.7398048999315116
Energy: 0.9027163524642188
Energy: 0.739891363682244
Energy: 0.5853257223042871
Energy: 0.7398913636830411
Energy: 0.6026565705521036
Energy: 0.6619499828471835
Energy: 0.564357589974794
Energy: 0.6619499828471835
Energy: 0.88694450851549
Energy: 0.6154136881142368
Energy: 0.5803101024066065
Energy: 0.6154136881126426
Energy: 0.5793566379695477
Energy: 0.7393179046044609
Energy: 0.7632719590953351
Energy: 0.739317904605258
Energy: 0.5778701467817727
Energy: 0.6012190401363527
Energy: 0.5853240985759722
Energy: 0.6012190401012785
Energy: 0.5823815111809885
Energy: 0.6626233533008575
Energy: 0.759111165019315
Energy: 0.6626233533008575
Energy: 0.5753296954968126
Energy: 0.8389315423768613
Energy: 0.5830017887365871
Energy: 0.8389315423768613
Energy: 0.5845240998945345
Energy: 0.5999568746124209
Energy: 0.7607933816389216
Energy: 0.5999568746211532
Energy: 0.5657230769298578
Energy: 0.6015178528188372
Energy: 0.6059354046861143
Energy: 0.6015178528100688

minimum gb energy = 0.5643568358845843 eV
minimum distance =  2.31705844551324 Angstroms
sigma value = 15


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

Energy: 0.8621615084115488
Energy: 0.5521556955568154
Energy: 0.7952718536424797
Energy: 0.5521556955763988
Energy: 0.9690256610677774
Energy: 0.5440955464133967
Energy: 0.5427274300860703
Energy: 0.5440955464390578
Energy: 0.6256829152534498
Energy: 0.5489932717998564
Energy: 0.6885595259002272
Energy: 0.5489932717998564
Energy: 0.8625095588746524
Energy: 0.5486443993306919
Energy: 0.5427241814205865
Energy: 0.5486443993300166
Energy: 0.6042310719347188
Energy: 0.6005768799927976
Energy: 0.6041030607696126
Energy: 0.6005768799921223
Energy: 0.858555086348559
Energy: 0.5419338435467298
Energy: 0.5431075246095793
Energy: 0.5419338435467298
Energy: 0.5478587894135577
Energy: 0.6692480426671179
Energy: 0.6044862383451098
Energy: 0.6692480426671179
Energy: 0.7369171099037803
Energy: 0.6064546127863427
Energy: 0.5487961579557684
Energy: 0.6064546127876934
Energy: 0.5439370149702227
Energy: 0.5528421454074066
Energy: 0.795712015818155
Energy: 0.5528421454074066
Energy: 0.6018408444709717
Energy: 0.5507138207110649
Energy: 0.604702047866221
Energy: 0.5507138207110649
Energy: 0.542315170040394
Energy: 0.5427551679912189
Energy: 0.8631229087849355
Energy: 0.5427551679918943
Energy: 0.5358122215915974
Energy: 0.5489580360462972
Energy: 0.6259271782800657
Energy: 0.548958036040895
Energy: 0.5440459954863923
Energy: 0.5593899000717014
Energy: 1.066653057072635
Energy: 0.5593899000723767
Energy: 0.5368961504871308
Energy: 0.5442175957434352
Energy: 0.7954671485577025
Energy: 0.5442175957434352
Energy: 0.5421667553228298
Energy: 0.5439498459520834
Energy: 1.0183473090470965
Energy: 0.5439498459520834
Energy: 0.6889826461892241
Energy: 0.5490118190074426
Energy: 0.626366228091462
Energy: 0.5490118189939366
Energy: 0.5439881864804121
Energy: 0.5585959761519893
Energy: 0.963223830276754
Energy: 0.5585959761533398
Energy: 0.6957443433190801
Energy: 0.5963197463197445
Energy: 0.604737182163779
Energy: 0.5963197463197445
Energy: 0.5436356092605396
Energy: 0.5408716135693911
Energy: 0.8558942319143825
Energy: 0.5408716135687157
Energy: 0.7535919146155878
Energy: 0.5418224604552297
Energy: 0.5487819325805189
Energy: 0.5418224604552297
Energy: 0.5504678416224534
Energy: 0.5623263727752239
Energy: 0.7339761710853541
Energy: 0.5623263727752239
Energy: 0.763131507909325
Energy: 0.5521418832821442
Energy: 0.5462503456242712
Energy: 0.5521418832814687
Energy: 0.6059440412271269
Energy: 0.5424608087899346
Energy: 0.5992849255813627
Energy: 0.5424608087912853
Energy: 0.9982915747383717
Energy: 0.6025678277056667
Energy: 0.5427554271300292
Energy: 0.602567827706342
Energy: 0.6275930377864605
Energy: 0.5633621090794533
Energy: 0.5357985205967629
Energy: 0.5633621090706745
Energy: 0.9738406217807234
Energy: 0.5512539473915092
Energy: 0.5460399493881423
Energy: 0.5512539473915092
Energy: 0.8627743409972322
Energy: 0.548829861502174
Energy: 0.5326662899556449
Energy: 0.5488298568231397
Energy: 1.0667990428462644
Energy: 0.6012793598186127
Energy: 0.5426776077772181
Energy: 0.6012793598186127
Energy: 0.6275058226877076
Energy: 0.6171135598872026
Energy: 0.5340221967266446
Energy: 0.6171135598872026
Energy: 0.8635512581752056
Energy: 0.5584740633505739
Energy: 0.5460604390345145
Energy: 0.5584740633505739
Energy: 0.6059844444211404
Energy: 0.5974586619788131
Energy: 0.6968236135982492
Energy: 0.5974586619788131
Energy: 0.8544697241429232
Energy: 0.5404608029397442
Energy: 0.5449907525452701
Energy: 0.5404608029404195
Energy: 0.5506481827422725
Energy: 0.6153746711291084
Energy: 0.7533979001375519
Energy: 0.6153746711284332
Energy: 0.6059455376988903
Energy: 0.561790437338788
Energy: 0.5527783624225279
Energy: 0.5617904373381127
Energy: 0.5342657105539527
Energy: 0.5962854810403941
Energy: 0.7566647526781272
Energy: 0.5962854810403941
Energy: 0.6001635299846603
Energy: 0.5421852306849101
Energy: 0.6080524711814106
Energy: 0.5421852306849101
Energy: 0.5441157036965685
Energy: 0.6181641248716854
Energy: 0.9951793852998788
Energy: 0.6181641248716854

minimum gb energy = 0.5326662899556449 eV
minimum distance =  2.31499117195887 Angstroms
sigma value = 85


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

Energy: 0.7427633420837129
Energy: 0.5258998944366802
Energy: 0.6427895715036644
Energy: 0.5258998944366802
Energy: 0.9242269939038288
Energy: 0.5227671252493407
Energy: 0.4955782996633273
Energy: 0.5227671252487549
Energy: 0.7142602586088104
Energy: 0.5224763724443474
Energy: 0.9777472679276208
Energy: 0.5224763724443474
Energy: 0.8991758086131372
Energy: 0.5228375727851634
Energy: 0.4955965131796673
Energy: 0.5228375727845777
Energy: 0.5217803072347875
Energy: 0.494055213818531
Energy: 0.46346803997242386
Energy: 0.494055213818531
Energy: 0.8002396166548578
Energy: 0.5231580313948677
Energy: 0.495600921944269
Energy: 0.5231580313972105
Energy: 0.4932084897478361
Energy: 0.6330362309388265
Energy: 0.4961565028429811
Energy: 0.6330362309388265
Energy: 0.6998228481030813
Energy: 0.5220739629635347
Energy: 0.49580947556396243
Energy: 0.5220739629629491
Energy: 0.4950115379185849
Energy: 0.6049371753714609
Energy: 0.6130587363861821
Energy: 0.6049371753714609
Energy: 0.5814285688583868
Energy: 0.6327060804066048
Energy: 0.4937214817330401
Energy: 0.6327060804060192
Energy: 0.49668883277577147
Energy: 0.5227115119830373
Energy: 0.7307477044724282
Energy: 0.522711511983623
Energy: 0.463032524650058
Energy: 0.5220749423739081
Energy: 0.522399870009718
Energy: 0.5220749423733224
Energy: 0.4951400551246613
Energy: 0.506889710608607
Energy: 0.8267432013006156
Energy: 0.506889710608607
Energy: 0.4631032441010728
Energy: 0.5228280833635143
Energy: 0.714730047947074
Energy: 0.5228280833652713
Energy: 0.4967914655525328
Energy: 0.5226615665663311
Energy: 0.9934291057493507
Energy: 0.5226615665663311
Energy: 0.4631386781612287
Energy: 0.5260063028357331
Energy: 0.743145578475131
Energy: 0.5260063028357331
Energy: 0.4952215647143292
Energy: 0.5070642771849374
Energy: 0.9936699786691582
Energy: 0.5070642771849374
Energy: 0.5999708035862984
Energy: 0.5228040465013886
Energy: 0.714608858622679
Energy: 0.5228040465013886
Energy: 0.4968706972537512
Energy: 0.5226797357053861
Energy: 0.8988696106874379
Energy: 0.5226797356995293
Energy: 0.6033237295552589
Energy: 0.5260685294186669
Energy: 0.5224179337974758
Energy: 0.5260685294186669
Energy: 0.4951444932007129
Energy: 0.5068430858338978
Energy: 0.8002515390149887
Energy: 0.5068430858338978
Energy: 0.600791450163153
Energy: 0.5229218150714382
Energy: 0.4937217270457729
Energy: 0.5229218150714382
Energy: 0.4970598910289783
Energy: 0.5218096853227953
Energy: 0.6996695960723589
Energy: 0.5218096853227953
Energy: 0.6095422099098198
Energy: 0.540970849905487
Energy: 0.4955761012857143
Energy: 0.5409708499060727
Energy: 0.495143715256761
Energy: 0.5218126012880026
Energy: 0.5814199860241733
Energy: 0.5218126012880026
Energy: 0.8333231743869609
Energy: 0.5227493252853432
Energy: 0.49670217721519605
Energy: 0.5227493252853432
Energy: 0.5238186571733314
Energy: 0.5220157244319436
Energy: 0.46339960149411136
Energy: 0.5220157244313579
Energy: 0.8356226773110844
Energy: 0.5409982830987672
Energy: 0.4956973207259662
Energy: 0.5409982830987672
Energy: 0.7160238698741682
Energy: 0.6184005363605362
Energy: 0.462775233246281
Energy: 0.6184005363605362
Energy: 0.9937288565455878
Energy: 0.5228335554996544
Energy: 0.49680657224452446
Energy: 0.52283355550024
Energy: 0.7444798183232098
Energy: 0.5219759683576066
Energy: 0.4634328751192946
Energy: 0.5219759683576066
Energy: 0.9155940877037358
Energy: 0.5411574468581238
Energy: 0.49575984268572676
Energy: 0.541157446863395
Energy: 0.7159984631459486
Energy: 0.6181223221737936
Energy: 0.4631321977918039
Energy: 0.6181223221743793
Energy: 0.8990575470741765
Energy: 0.6175152451822397
Energy: 0.49721188099544933
Energy: 0.6175152451828254
Energy: 0.5238958503468967
Energy: 0.5219418660008209
Energy: 0.6031225639054955
Energy: 0.5219418660008209
Energy: 0.7134469530393752
Energy: 0.5387900261635999
Energy: 0.4956244090345899
Energy: 0.5387900261635999
Energy: 0.4952772247528763
Energy: 0.6175845390066204
Energy: 0.6008273794259031
Energy: 0.6175845390060345
Energy: 0.6997337937816099
Energy: 0.521759265435933
Energy: 0.4970238968201496
Energy: 0.521759265435933
Energy: 0.4969321218301356
Energy: 0.5218743810361689
Energy: 0.6107709217749901
Energy: 0.5218743810373403
Energy: 0.47302624479601424
Energy: 0.5563075700081932
Energy: 0.49760037716683253
Energy: 0.5563075700081932
Energy: 0.4948740765501735
Energy: 0.6175403665203565
Energy: 0.8336498045933661
Energy: 0.6175403665203565
Energy: 0.4631187200427699
Energy: 0.5217910653335929
Energy: 0.5245173184608141
Energy: 0.5217910653365212
Energy: 0.49686126492067567
Energy: 0.5219602778035706
Energy: 0.8359676361751418
Energy: 0.5219602778029849

minimum gb energy = 0.462775233246281 eV
minimum distance =  2.33234114333551 Angstroms
sigma value = 113


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

Energy: 0.01563966813779399
Energy: 0.016450751813269875
Energy: 0.636637240848519
Energy: 0.016450751813269875
Energy: 0.6357643128070438
Energy: 0.2441376934370703
Energy: 0.24455660207478921
Energy: 0.2441376934370703
Energy: 0.01563966813779399
Energy: 0.016450751813269875
Energy: 0.6366190617423613
Energy: 0.016450751813269875
Energy: 0.6357643128070438
Energy: 0.2441376934370703
Energy: 0.2445566021051305
Energy: 0.24413769343662006
Energy: 0.01563966813824423
Energy: 0.016450751813269875
Energy: 0.6366872891726744
Energy: 0.016450751813269875
Energy: 0.6357643128070438
Energy: 0.2441376934370703
Energy: 0.2445566020941496
Energy: 0.2441376934370703

minimum gb energy = 0.01563966813779399 eV
minimum distance =  2.52411437907395 Angstroms
sigma value = 1