Model name: model_name=Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Cu__SM_316120381362_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.620000004768371
cohesive_energy=3.5402784093724726
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013646685980100434
Energy: 0.013872583496581567
Energy: 0.3163877808898883
Energy: 0.013872583495956079
Energy: 0.013872583496581567
Energy: 0.7111501970757
Energy: 0.013872583496581567
Energy: 0.7111501970757
Energy: 0.3163877808898883
Energy: 0.013872583496581567
Energy: 0.013646685980100434
Energy: 0.013872583496581567
Energy: 0.013872583496581567
Energy: 0.7111501970757
Energy: 0.013872583495956079
Energy: 0.7111501970757

minimum gb energy = 0.013646685980100434 eV
minimum distance =  2.47369086271258 Angstroms
sigma value = 1


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

Energy: 0.8967488935928313
Energy: 0.9082307273960121
Energy: 0.9160931974761335
Energy: 0.9082307273960121
Energy: 0.8582526926030951
Energy: 0.8974894154054884
Energy: 0.8583201635875597
Energy: 0.8974894154062469
Energy: 0.8169346306979369
Energy: 0.8990697340763799
Energy: 0.8828783961435434
Energy: 0.8990697340763799
Energy: 0.8373491806945143
Energy: 0.9151296416081768
Energy: 0.834984257988325
Energy: 0.9151296416089354
Energy: 0.8396149382489688
Energy: 0.9094934272546963
Energy: 0.877198105241656
Energy: 0.9094934272554548
Energy: 0.8169561753613335
Energy: 1.0287931705680045
Energy: 0.7936629510639966
Energy: 1.0287931705680045
Energy: 0.8608461165133092
Energy: 0.8989618976927319
Energy: 0.8183123982634171
Energy: 0.8989618976927319
Energy: 0.7792086603979572
Energy: 0.9095687401301312
Energy: 0.7976684428182762
Energy: 0.9095687401293727
Energy: 0.8359112900951136
Energy: 0.844956315047555
Energy: 0.8623759800119692
Energy: 0.8449563150483135
Energy: 0.7936248269854311
Energy: 0.8993472136118024
Energy: 0.7747793657357908
Energy: 0.8993472136118024
Energy: 0.8671478244150298
Energy: 0.89492524915845
Energy: 0.835883562243838
Energy: 0.8949252491569328
Energy: 0.8564986874388885
Energy: 0.9094657797853649
Energy: 0.8022864365622734
Energy: 0.9094657797853649
Energy: 0.8568189152660759
Energy: 0.8983955001986501
Energy: 0.8606867901562065
Energy: 0.8983955001986501
Energy: 0.8443126931916628
Energy: 0.9017541091005558
Energy: 0.8187124882965036
Energy: 0.9017541091013145
Energy: 0.8503798418418815
Energy: 0.9080116920904762
Energy: 0.8415158323275713
Energy: 0.9080116920904762
Energy: 0.851206262044278
Energy: 0.9081667558221873
Energy: 0.841378532530415
Energy: 0.9081667558229459
Energy: 0.8827615141637178
Energy: 0.899031268810415
Energy: 0.806633556289545
Energy: 0.8990312688096564
Energy: 0.8582676661046974
Energy: 0.8968199352482529
Energy: 0.8594134251425083
Energy: 0.8968199352474944
Energy: 0.7825706674263504
Energy: 0.9092376881939744
Energy: 0.8014295372820383
Energy: 0.9092376881939744
Energy: 0.8732618850881875
Energy: 0.8459892442734485
Energy: 0.8381094216759951
Energy: 0.8459892442734485
Energy: 0.7966921339347439
Energy: 0.8991158695545556
Energy: 0.7732889666005953
Energy: 0.8991158695545556
Energy: 0.8357449977933031
Energy: 0.8491548900456601
Energy: 0.8519454139319729
Energy: 0.8491548900236958
Energy: 0.9664444248454348
Energy: 0.909970503039032
Energy: 0.8094547808241431
Energy: 0.909970503039032
Energy: 0.9059068364186349
Energy: 0.8988416086393687
Energy: 0.8166664742439367
Energy: 0.8988416086393687
Energy: 0.8182236945325608
Energy: 1.0265596940202133
Energy: 0.8611658077171517
Energy: 1.0265596940202133
Energy: 0.842217986732539
Energy: 0.9091075134463692
Energy: 0.8204455552801232
Energy: 0.9091075134463692
Energy: 0.8490568250593481
Energy: 1.0268542720666487
Energy: 0.8357985184751769
Energy: 1.0268542720658902
Energy: 0.9284502234683605
Energy: 0.8986607917702488
Energy: 0.884006310952816
Energy: 0.8986607917702488
Energy: 0.8576314499606646
Energy: 0.9238152803855776
Energy: 0.856438316057746
Energy: 0.9238152803848191
Energy: 0.8969147810111907
Energy: 0.9085368300011686
Energy: 0.8595917567511274
Energy: 0.9085368300011686
Energy: 0.8613973878141722
Energy: 0.903940311789752
Energy: 0.8566596696586899
Energy: 0.903940311789752
Energy: 0.8327064608639385
Energy: 0.899831709703352
Energy: 0.843324082312386
Energy: 0.899831709703352
Energy: 0.8392038116381633
Energy: 0.9148989381641031
Energy: 0.8266075783995332
Energy: 0.9148989381641031

minimum gb energy = 0.7732889666005953 eV
minimum distance =  2.3110175014917 Angstroms
sigma value = 1


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

Energy: 0.9526260784630939
Energy: 0.9650055125723873
Energy: 0.9730486523448167
Energy: 0.9650055125723873
Energy: 0.8915170929426031
Energy: 0.93902875949725
Energy: 0.893692601002835
Energy: 0.93902875949725
Energy: 0.8575217449079064
Energy: 0.9643523248037746
Energy: 0.876239615875653
Energy: 0.9643523248037746
Energy: 0.8339341137043288
Energy: 0.861570020276089
Energy: 0.8479593017766657
Energy: 0.861570020277819
Energy: 0.8339425016915183
Energy: 0.9478057839963224
Energy: 0.9635337580599102
Energy: 0.9478057839963224
Energy: 0.9254368433735909
Energy: 0.947923389188821
Energy: 0.9138515072895206
Energy: 0.947923389188821
Energy: 0.8810059646357861
Energy: 0.8663066133336487
Energy: 0.847904428365552
Energy: 0.8663066133345135
Energy: 0.805660727423414
Energy: 0.9622591870689534
Energy: 0.8353554919335586
Energy: 0.9622591870689534
Energy: 0.8674664858033518
Energy: 0.8882278554068039
Energy: 0.9104679286661199
Energy: 0.8882278554068039
Energy: 0.833814734416932
Energy: 0.9639713573677522
Energy: 0.8069318772946839
Energy: 0.9639713573677522
Energy: 0.8808558536591499
Energy: 0.9206288298074589
Energy: 0.8937126236982448
Energy: 0.9206288298074589
Energy: 0.8373508687287384
Energy: 0.9560320784177958
Energy: 0.8763109014927934
Energy: 0.9560320784177958
Energy: 0.8885087326761438
Energy: 0.9493750390330873
Energy: 0.880586551616485
Energy: 0.9493750390339522
Energy: 0.8882217113319123
Energy: 0.9493769272206379
Energy: 0.8755127661482608
Energy: 0.9493769272206379
Energy: 0.8372069436597307
Energy: 0.9560549845144597
Energy: 0.8764976746086203
Energy: 0.9560549845144597
Energy: 0.8811130090059458
Energy: 0.9205052174259883
Energy: 0.8936395742533824
Energy: 0.9205052174259883
Energy: 0.8339462381435302
Energy: 0.9636013122436129
Energy: 0.818940610278214
Energy: 0.9636013122436129
Energy: 0.8674223249652708
Energy: 0.8885950210096851
Energy: 0.91046579629518
Energy: 0.8885950210096851
Energy: 0.8056588309122236
Energy: 0.9622204308704234
Energy: 0.8353963494491814
Energy: 0.9622204308704234
Energy: 0.8810074456970932
Energy: 0.8651825629094705
Energy: 0.8532671371988069
Energy: 0.8651825624408848
Energy: 0.9248249192006938
Energy: 0.9479295366033745
Energy: 0.835172383768946
Energy: 0.9479295366025096
Energy: 0.8342738275964487
Energy: 0.9478003426549296
Energy: 0.8808340884574011
Energy: 0.9478003426549296
Energy: 0.8340518300025449
Energy: 0.8617266520682759
Energy: 0.8478169419584574
Energy: 0.8617266520691408
Energy: 0.8576117535933157
Energy: 0.9638481449758592
Energy: 0.9367708538196567
Energy: 0.9638481449758592
Energy: 0.8915116883237706
Energy: 0.9391912763135701
Energy: 0.8935912297704992
Energy: 0.9391912763135701
Energy: 0.9526260784630939
Energy: 0.9650055125723873
Energy: 1.068282226967372
Energy: 0.9650055125723873
Energy: 0.8915170929426031
Energy: 0.93902875949725
Energy: 0.893692601002835
Energy: 0.93902875949725
Energy: 0.8575217449079064
Energy: 0.9643523248037746
Energy: 0.876239615875653
Energy: 0.9643523248037746
Energy: 0.8339341137060587
Energy: 0.861570020276954
Energy: 0.85172567859972
Energy: 0.861570020276954

minimum gb energy = 0.8056588309122236 eV
minimum distance =  2.28120158347674 Angstroms
sigma value = 25


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

Energy: 0.9036397381496863
Energy: 1.010299580012248
Energy: 1.0380661534896067
Energy: 1.010299580012248
Energy: 0.9432270419801597
Energy: 0.956167580888981
Energy: 0.8828162500429463
Energy: 0.956167580888981
Energy: 0.9019595092979187
Energy: 1.0341907316827559
Energy: 0.8826579391409938
Energy: 1.0341907316827559
Energy: 0.8776023885280203
Energy: 0.9063704927921854
Energy: 0.8835784416480524
Energy: 0.9063704929027381
Energy: 0.8841140294788052
Energy: 1.0113557410650145
Energy: 1.033088440453876
Energy: 1.0113557410650145
Energy: 0.9802611181959239
Energy: 1.0329957386571555
Energy: 1.0372443412568817
Energy: 1.0329957386571555
Energy: 0.934823646011036
Energy: 0.8980371808809965
Energy: 0.9046371854247814
Energy: 0.8980371808809965
Energy: 1.036297722536283
Energy: 1.0141726175350811
Energy: 0.8508513175999862
Energy: 1.0141726175340755
Energy: 0.9044700032350635
Energy: 0.9730919629905567
Energy: 0.9349404055250239
Energy: 0.9730919629905567
Energy: 0.8843231374437763
Energy: 1.033156916504422
Energy: 0.877009753628686
Energy: 1.033156916504422
Energy: 0.9258690024688739
Energy: 1.0111286989908412
Energy: 0.9119297612253117
Energy: 1.0111286989908412
Energy: 0.9114254373612919
Energy: 1.011019498717318
Energy: 0.9118619654639792
Energy: 1.011019498717318
Energy: 0.8823664865169447
Energy: 0.969435921433672
Energy: 0.8764774549601627
Energy: 0.969435921433672
Energy: 0.9041968812444838
Energy: 0.8829188475807501
Energy: 0.9334866937136469
Energy: 0.8829188475817555
Energy: 0.8397900757919922
Energy: 1.011137262207856
Energy: 0.8488257333093241
Energy: 1.011137262207856
Energy: 0.9329834838991443
Energy: 0.9002844680986315
Energy: 0.8841434675761624
Energy: 0.9002844680986315
Energy: 0.8368104444466827
Energy: 1.033802292732996
Energy: 0.8365558209044113
Energy: 1.033802292732996
Energy: 0.883201747081945
Energy: 1.021663331613305
Energy: 0.9270431398537289
Energy: 1.021663331613305
Energy: 0.877262193214761
Energy: 0.9747360078046547
Energy: 0.8843880357602522
Energy: 0.9747360078046547
Energy: 0.9344555861571372
Energy: 1.0326874710134646
Energy: 0.9019334483700978
Energy: 1.0326874710134646
Energy: 0.9071399855714223
Energy: 0.9563999358489012
Energy: 0.9010778321185763
Energy: 0.9563999358499067
Energy: 0.9054525722890833
Energy: 1.0115082373100746
Energy: 0.9667683497524004
Energy: 1.0115082373100746
Energy: 0.9421289584656132
Energy: 0.9712726623468035
Energy: 0.9125268549854408
Energy: 0.971272662347809
Energy: 1.0586778673320136
Energy: 1.0369187998048948
Energy: 0.8844860733354688
Energy: 1.0369187998048948
Energy: 0.913202485710862
Energy: 0.9071760118894185
Energy: 0.8837983287746745
Energy: 0.9071760118884132

minimum gb energy = 0.8365558209044113 eV
minimum distance =  2.28949947379739 Angstroms
sigma value = 9


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

Energy: 0.9478133610938582
Energy: 0.9473389248837933
Energy: 1.1149060139511633
Energy: 0.9473389248837933
Energy: 0.9398281298078666
Energy: 1.0211849879171455
Energy: 0.9578217226615098
Energy: 1.0211849879171455
Energy: 0.9433221961084427
Energy: 0.9553540857219719
Energy: 0.9375601607679942
Energy: 0.9553540857219719
Energy: 1.1246982946647706
Energy: 1.0267687081018386
Energy: 0.8910031641151457
Energy: 1.0267687081018386
Energy: 1.0460257729713442
Energy: 1.0067253064527442
Energy: 0.9566614556089839
Energy: 1.0067253064527442
Energy: 0.8613114430385803
Energy: 0.956044718130865
Energy: 0.9614299351211659
Energy: 0.956044718130865
Energy: 0.9602248240543122
Energy: 0.8909673529409011
Energy: 0.89183171281299
Energy: 0.8909673529409011
Energy: 0.9813871065611997
Energy: 0.9556955571121072
Energy: 0.8822973729769223
Energy: 0.9556955571121072
Energy: 0.960624752344969
Energy: 1.0210125465840996
Energy: 0.9561051231774199
Energy: 1.0210125465840996
Energy: 0.9469756317274058
Energy: 0.9485216877276769
Energy: 0.9610293954040081
Energy: 0.9485216877264774
Energy: 0.9114779988519236
Energy: 1.0066294790255281
Energy: 0.9375352826544446
Energy: 1.0066294790243289
Energy: 0.9624744183156433
Energy: 0.9476377939153987
Energy: 0.8908300440789667
Energy: 0.9476377939153987
Energy: 0.8612033361633422
Energy: 0.9473298475099136
Energy: 0.887256746830567
Energy: 0.9473298475099136
Energy: 0.9375753584769209
Energy: 0.9563231973299483
Energy: 0.957209198380268
Energy: 0.9563231973299483
Energy: 0.8613498592734561
Energy: 0.94729836221814
Energy: 0.8665112949898495
Energy: 0.94729836221814
Energy: 0.9624923791450016
Energy: 0.9474912329301086
Energy: 0.8908076239468329
Energy: 0.9474912329301086
Energy: 0.9114194399778052
Energy: 1.0064398011214937
Energy: 0.9374275151955007
Energy: 1.0064398011214937
Energy: 0.9469730377252942
Energy: 0.9480485947134804
Energy: 0.9610870345799216
Energy: 0.9480485947134804
Energy: 0.9611937735011079
Energy: 1.0211416809727363
Energy: 0.9561382978934471
Energy: 1.0211416809715366
Energy: 0.9814788821470655
Energy: 0.9556841643809274
Energy: 0.8827383082723547
Energy: 0.9556841643809274
Energy: 0.9601192997102301
Energy: 0.8908655289718734
Energy: 0.891807266691242
Energy: 0.8908655289718734

minimum gb energy = 0.8612033361633422 eV
minimum distance =  2.37942969028953 Angstroms
sigma value = 25


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

Energy: 0.9104568639119195
Energy: 1.0315539769544761
Energy: 1.1932237949732207
Energy: 1.0315539769544761
Energy: 0.8938260862618718
Energy: 1.0881210734167959
Energy: 0.8813215436944386
Energy: 1.0881210734167959
Energy: 0.881999970344383
Energy: 1.0951322299256603
Energy: 0.8805739505450894
Energy: 1.0951322299256603
Energy: 0.9092076675279407
Energy: 1.0851609097603967
Energy: 1.0448700442624126
Energy: 1.0851609097603967
Energy: 1.043615134371818
Energy: 0.892980755419293
Energy: 0.8812684494317549
Energy: 0.8929807554178096
Energy: 0.8807575316020926
Energy: 1.0958175940809989
Energy: 0.8821763656316034
Energy: 1.0958175940809989
Energy: 0.8816085133403085
Energy: 1.02031862209955
Energy: 0.881081586676588
Energy: 1.02031862209955
Energy: 1.031193387605599
Energy: 1.0316050737891316
Energy: 0.9085611413615844
Energy: 1.0316050737935818
Energy: 0.8808122819399568
Energy: 1.0236183922806712
Energy: 0.8946098750934687
Energy: 1.0236183922806712
Energy: 1.0753863318972112
Energy: 1.0981568849357919
Energy: 0.8825131358013417
Energy: 1.0981568849357919
Energy: 0.8835526021421052
Energy: 1.0821804646202207
Energy: 1.19167338355462
Energy: 1.0821804646202207
Energy: 0.8808034528442977
Energy: 0.9772064111669814
Energy: 1.0762621544577717
Energy: 0.9772064111684646
Energy: 1.032379779987641
Energy: 1.099038904868473
Energy: 0.8808633650274771
Energy: 1.099038904868473
Energy: 0.8807151774629589
Energy: 1.0825717964720203
Energy: 0.9097112907357975
Energy: 1.0825717964720203
Energy: 1.0323850610968526
Energy: 1.0812076465606653
Energy: 1.03136808831163
Energy: 1.0812076465606653
Energy: 0.8929065010915817
Energy: 0.9775510252861704
Energy: 0.8808327505294413
Energy: 0.9775510220169167
Energy: 0.8813391245653778
Energy: 0.9700589355684512
Energy: 1.0748842123477342
Energy: 0.9700589355684512

minimum gb energy = 0.8805739505450894 eV
minimum distance =  2.36140818644813 Angstroms
sigma value = 17


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

Energy: 0.9897194580317787
Energy: 0.9897261673021567
Energy: 1.2605888076935634
Energy: 0.9897261673021567
Energy: 1.0494706026377885
Energy: 1.0070474466312687
Energy: 0.8996872090203599
Energy: 1.0070474466312687
Energy: 1.0624396406245775
Energy: 0.983100337254837
Energy: 0.8994260796445452
Energy: 0.9831003372581975
Energy: 0.9012425128265776
Energy: 0.9893446236348159
Energy: 1.0392506969654416
Energy: 0.9893446236356559
Energy: 1.0952732690598161
Energy: 0.9742301391469008
Energy: 0.9598767918423673
Energy: 0.9742301391469008
Energy: 0.91271108382669
Energy: 1.0002763720693943
Energy: 1.0458367315212844
Energy: 1.0002763720693943
Energy: 0.9017790311942364
Energy: 1.0072120218516183
Energy: 0.9587048940637274
Energy: 1.0072120218516183
Energy: 1.0563109352375226
Energy: 0.9997008856024736
Energy: 0.9100945143535117
Energy: 0.9997008856024736
Energy: 0.9148789391324265
Energy: 1.0390726376574433
Energy: 1.09002205368993
Energy: 1.0390726376566033
Energy: 1.1589331114567232
Energy: 0.9702260778160794
Energy: 0.9005226355222565
Energy: 0.9702260778177596
Energy: 0.9041654339533165
Energy: 0.9903178470009805
Energy: 1.0485488159112588
Energy: 0.9903178470018206
Energy: 0.9130381551795066
Energy: 1.0057004747037424
Energy: 0.9126067243276094
Energy: 1.0057004747037424
Energy: 1.045928186739501
Energy: 0.9903267222534834
Energy: 0.9938549025617142
Energy: 0.9903267222543234
Energy: 0.8993971883656017
Energy: 1.0211148661084801
Energy: 1.0520035422003375
Energy: 1.0211148661093203
Energy: 1.012531260429693
Energy: 1.0425789955024254
Energy: 0.9125237212140441
Energy: 1.0425789955024254
Energy: 1.0524585719928932
Energy: 0.9999930202381706
Energy: 1.056884141025461
Energy: 0.9999930202373306
Energy: 0.9585415156735412
Energy: 1.0403153176824171
Energy: 1.1649056016368915
Energy: 1.0403153176824171
Energy: 1.042018775925273
Energy: 0.9823392489581705
Energy: 0.9129575719686697
Energy: 0.9823392489573305
Energy: 0.9451127040539044
Energy: 1.0409583651701892
Energy: 0.97301875124145
Energy: 1.0409583651701892
Energy: 1.0045168733928265
Energy: 0.9892139124769451
Energy: 0.9016852290461217
Energy: 0.9892139124777852
Energy: 0.9798851513739828
Energy: 0.9828915560513801
Energy: 1.0630209967174824
Energy: 0.98289155605054
Energy: 0.9596532445679538
Energy: 1.1347385189012487
Energy: 1.1830677047137785
Energy: 1.1347385189012487
Energy: 1.0770681077555508
Energy: 0.9892564089729793
Energy: 0.8994274104419017
Energy: 0.9892564089738193
Energy: 0.9684216530581783
Energy: 1.0439501824224016
Energy: 1.0452831884148495
Energy: 1.0439501824224016
Energy: 1.0085328641065763
Energy: 0.9827730738020721
Energy: 1.0431422842770899
Energy: 0.9827730737987118
Energy: 1.1272453365309674
Energy: 0.9889886169731692
Energy: 0.9006723030127117
Energy: 0.9889886169740094
Energy: 0.9592915322996668
Energy: 1.0462333260015029
Energy: 1.2063311102623755
Energy: 1.0462333260015029
Energy: 1.048442890019009
Energy: 0.999523823136062
Energy: 1.0640254693656583
Energy: 0.9995238231352219
Energy: 1.1296247198165423
Energy: 1.0732967385251364
Energy: 0.9018738565368477
Energy: 1.0732967385242964
Energy: 0.9099490601023177
Energy: 1.0392978174138834
Energy: 1.10763824685542
Energy: 1.0392978174155634

minimum gb energy = 0.8993971883656017 eV
minimum distance =  2.27612997540541 Angstroms
sigma value = 53


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

Energy: 0.8496116024697676
Energy: 0.8489150900141924
Energy: 1.341842545041505
Energy: 0.8489150900141924
Energy: 1.0934037042470242
Energy: 0.9607219534253507
Energy: 0.8601075805683158
Energy: 0.9607219534253507
Energy: 0.866907802745375
Energy: 0.8489008038183399
Energy: 0.9558050898038026
Energy: 0.848900803820274
Energy: 0.8668110817948017
Energy: 0.8488505491868474
Energy: 0.9559822233459478
Energy: 0.8488505491868474
Energy: 1.0932355502333444
Energy: 0.960885185633566
Energy: 0.8600032357566226
Energy: 0.960885185633566
Energy: 0.8496116024717018
Energy: 0.8489150900141924
Energy: 1.1777973246005544
Energy: 0.8489150900141924
Energy: 1.0934037042470242
Energy: 0.9607219534253507
Energy: 0.9560919788609991
Energy: 0.9607219534253507
Energy: 0.866907802745375
Energy: 0.848900803820274
Energy: 1.0628641815046282
Energy: 0.8489008038183399
Energy: 0.8668110817967357
Energy: 0.8488505491868474
Energy: 1.026709492701727
Energy: 0.8488505491868474
Energy: 1.0932355502333444
Energy: 0.960885185633566
Energy: 1.0294407987638639
Energy: 0.960885185633566
Energy: 0.8496116024717018
Energy: 0.8489150900141924
Energy: 1.247552317997574
Energy: 0.8489150900141924
Energy: 1.0934037042470242
Energy: 0.9607219534272848
Energy: 1.0258974472446554
Energy: 0.9607219534253507
Energy: 0.866907802745375
Energy: 0.848900803820274
Energy: 1.0628641815065623
Energy: 0.8489008038183399

minimum gb energy = 0.8488505491868474 eV
minimum distance =  2.34293340106306 Angstroms
sigma value = 9


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

Energy: 0.9461902263420633
Energy: 1.0841183929533196
Energy: 1.3193337030041412
Energy: 1.0841183929540357
Energy: 1.107475164948634
Energy: 1.0005783467298113
Energy: 0.9557409217491198
Energy: 1.0005783467290954
Energy: 0.9497934609365777
Energy: 0.9363084673372353
Energy: 0.9425478867445581
Energy: 0.9363084673458251
Energy: 1.0902851417202837
Energy: 1.1285613319048702
Energy: 0.9565498002702163
Energy: 1.1285613319041543
Energy: 1.0947627993318518
Energy: 0.9927296900749631
Energy: 0.951213469363095
Energy: 0.9927296900749631
Energy: 0.9353120912479199
Energy: 0.9344288176533914
Energy: 1.1012889812684141
Energy: 0.934428817651244
Energy: 1.2712896553937127
Energy: 0.9886651369105777
Energy: 0.9562126781780006
Energy: 0.9886651369105777
Energy: 0.9574484270130185
Energy: 1.136046747093812
Energy: 1.0960848104049046
Energy: 1.136046747093812
Energy: 0.9528773768773582
Energy: 1.135619558142041
Energy: 0.9403151404387471
Energy: 1.135619558142041
Energy: 0.9514933605577461
Energy: 0.9976892100524735
Energy: 0.9569483959193613
Energy: 0.9976892100524735
Energy: 0.9587209241605457
Energy: 1.1333518198111237
Energy: 1.2673174898993713
Energy: 1.1333518198111237
Energy: 1.1049967839846415
Energy: 1.10253998037158
Energy: 0.9536684846069597
Energy: 1.102539980372296
Energy: 0.95242110042353
Energy: 1.0118920089818195
Energy: 1.1980562285794558
Energy: 1.0118920089818195
Energy: 1.0971657597779647
Energy: 1.1640513352404713
Energy: 0.952063275913221
Energy: 1.164051335241187
Energy: 0.9590166877750954
Energy: 1.0707768111151723
Energy: 1.1061719886856494
Energy: 1.070776811120183
Energy: 0.9550622493769187
Energy: 1.1351169924885935
Energy: 1.0949792192261822
Energy: 1.1351169924893096
Energy: 1.0345891528110276
Energy: 1.071205918122403
Energy: 0.9591604225741045
Energy: 1.071205918122403
Energy: 0.9622005668950862
Energy: 0.9891927765025185
Energy: 1.1326580900740681
Energy: 0.9891927765025185
Energy: 1.076618076201366
Energy: 1.0135944119116778
Energy: 0.937786180335487
Energy: 1.0135944119123936
Energy: 0.9521368419900098
Energy: 1.008824312699354
Energy: 1.0437109953116603
Energy: 1.008824312699354
Energy: 1.0979029669413036
Energy: 1.1284650536988663
Energy: 1.0917597075094227
Energy: 1.1284650536988663
Energy: 1.0443400379894001
Energy: 1.070529529159902
Energy: 0.9520076871800878
Energy: 1.070529529159902
Energy: 0.9417259190726084
Energy: 1.0625430698205363
Energy: 0.9519015450961429
Energy: 1.062543069821252
Energy: 1.3118938730283676
Energy: 1.0198184559247971
Energy: 0.9562899247891823
Energy: 1.0198184559262287
Energy: 0.9558675822905316
Energy: 1.195587785537886
Energy: 1.2017214651830024
Energy: 1.195587785537886
Energy: 1.0250142535858184
Energy: 0.9352338408705857
Energy: 0.950245413372775
Energy: 0.9352338408698698
Energy: 1.032225425052123
Energy: 1.072898401276736
Energy: 1.090141209728999
Energy: 1.0728984012774516
Energy: 0.9445809719492819
Energy: 1.128831154506667
Energy: 1.090709220588926
Energy: 1.128831154506667
Energy: 1.0140444966374247
Energy: 0.9344492578421101
Energy: 0.9494961283571012
Energy: 0.9344492578406784
Energy: 0.955648948544503
Energy: 1.1984133174280007
Energy: 1.1988001927580203
Energy: 1.1984133174287164
Energy: 1.2216907539663326
Energy: 1.0184974684784345
Energy: 0.9559870919030046
Energy: 1.0184974684755712
Energy: 0.934760066007473
Energy: 0.9903155667454484
Energy: 0.9502107723967781
Energy: 0.9903155667454484
Energy: 0.9557391368382444
Energy: 1.0645248165976706
Energy: 0.9507312753631217
Energy: 1.0645248165976706
Energy: 1.092275612909649
Energy: 1.1295524424535786
Energy: 1.0905904437069247
Energy: 1.1295524424535786
Energy: 0.9509397350733232
Energy: 1.1105423507189283
Energy: 1.2711167621125976
Energy: 1.1105423507182122

minimum gb energy = 0.934428817651244 eV
minimum distance =  2.28109581949507 Angstroms
sigma value = 73


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

Energy: 0.9414534344637635
Energy: 0.9401963673790368
Energy: 1.3583370901931249
Energy: 0.9401963673790368
Energy: 0.9746177341532963
Energy: 1.034441372468099
Energy: 0.9736828878967981
Energy: 1.034441372468099
Energy: 0.9727253334681699
Energy: 1.1326607759593588
Energy: 0.9524351295111723
Energy: 1.1326607759593588
Energy: 0.9677836970914426
Energy: 1.0336760175219877
Energy: 0.9741621533508185
Energy: 1.0336760175219877
Energy: 0.9664226650215612
Energy: 1.0183059448123701
Energy: 0.9776546727746401
Energy: 1.0183059448123701
Energy: 0.9812455272067214
Energy: 0.9663232015870344
Energy: 1.2529291661718518
Energy: 0.9663232015881701
Energy: 1.2555395377505498
Energy: 1.1685440860315615
Energy: 0.9747613984545006
Energy: 1.1685440860315615
Energy: 0.9680330208122303
Energy: 0.9398663729046598
Energy: 1.2352685996900334
Energy: 0.939866372903524
Energy: 1.228079030881547
Energy: 0.9406130104459764
Energy: 0.9394994524293129
Energy: 0.9406130104448408
Energy: 0.9729950245818182
Energy: 1.0289704350229714
Energy: 0.9729185617960089
Energy: 1.0289704350229714
Energy: 0.9659773230757127
Energy: 0.9404104317706545
Energy: 1.2282096722297227
Energy: 0.9404104317717903
Energy: 1.0850530496705544
Energy: 1.0502061581937268
Energy: 0.9646648723861532
Energy: 1.0502061581948625
Energy: 0.9798720924643631
Energy: 1.0154922781853175
Energy: 1.078065040346761
Energy: 1.0154922781853175
Energy: 1.2916390256446326
Energy: 1.016329352552586
Energy: 0.9810805196388225
Energy: 1.016329352552586
Energy: 0.9652755766587892
Energy: 0.9970891490981536
Energy: 1.0767324083460519
Energy: 0.9970891490981536
Energy: 1.2315011200495258
Energy: 0.9403155489441369
Energy: 0.96823602406004
Energy: 0.9403155489452726
Energy: 0.973068957704989
Energy: 0.9734855406016146
Energy: 0.9732718644612794
Energy: 0.9734855406016146
Energy: 0.9402031446965482
Energy: 0.9411089153920303
Energy: 0.980964256516589
Energy: 0.941108915393166
Energy: 1.0824636837931643
Energy: 0.9403792352536793
Energy: 0.9660413208494175
Energy: 0.9403792352536793
Energy: 0.973760698410518
Energy: 0.9967419185281919
Energy: 1.2540281523603023
Energy: 0.9967419185270562
Energy: 1.3158701710171605
Energy: 0.9624851314000007
Energy: 0.9811533066671979
Energy: 0.9624851314000007
Energy: 0.9738065521310344
Energy: 1.014965423220628
Energy: 1.0792663916646785
Energy: 1.014965423220628

minimum gb energy = 0.9394994524293129 eV
minimum distance =  2.29833094049128 Angstroms
sigma value = 7


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

Energy: 0.9668920844192608
Energy: 0.967580577039741
Energy: 1.3614508788209874
Energy: 0.967580577039741
Energy: 1.2036912711972074
Energy: 1.046430186434684
Energy: 0.9863354214122919
Energy: 1.046430186434684
Energy: 0.9688365629135071
Energy: 1.1125052592670706
Energy: 0.9673262753301027
Energy: 1.1125052592670706
Energy: 1.0302222407241122
Energy: 1.0342023042610908
Energy: 0.9923381063908657
Energy: 1.0342023042618937
Energy: 0.9701764078591582
Energy: 1.0293698735692602
Energy: 1.0001859571567129
Energy: 1.0293698735692602
Energy: 0.9718911226304667
Energy: 0.9662494363167052
Energy: 1.192644049206239
Energy: 0.9662494363159022
Energy: 1.0717092221850109
Energy: 1.1080745256677136
Energy: 1.0046713929438895
Energy: 1.1080745256620923
Energy: 0.9719659283076916
Energy: 1.0640556649823911
Energy: 1.2929559683588931
Energy: 1.0640556649831943
Energy: 1.1130762894943629
Energy: 1.0240365872143895
Energy: 0.9809565407918507
Energy: 1.0240365872143895
Energy: 0.9841939418510547
Energy: 1.064323491314544
Energy: 1.0678161197511968
Energy: 1.064323491314544
Energy: 0.9991388606763197
Energy: 1.111138572061571
Energy: 1.0285876632450717
Energy: 1.111138572060768
Energy: 0.9700741910397526
Energy: 1.0291673296959574
Energy: 1.0288320029547326
Energy: 1.0291673296959574
Energy: 0.9658762506993461
Energy: 0.9674860038831167
Energy: 1.0320186076131126
Energy: 0.9674860038831167
Energy: 0.9691639855658548
Energy: 0.9607711324785473
Energy: 1.028821507900316
Energy: 0.9607711324785473
Energy: 0.9773167824405588
Energy: 1.1395512113311703
Energy: 1.1005483492800128
Energy: 1.1395512113311703
Energy: 1.3310762920309982
Energy: 0.9596884181799927
Energy: 0.9785535438159123
Energy: 0.9596884181799927
Energy: 0.9867165385305949
Energy: 1.040094193021016
Energy: 1.1006494804417277
Energy: 1.0400941930218188
Energy: 0.9670384732744414
Energy: 1.0110013138749494
Energy: 1.0286068977338743
Energy: 1.0110013138757523
Energy: 0.9866719669356433
Energy: 1.1116131690202946
Energy: 1.0278376245194167
Energy: 1.1116131690202946
Energy: 0.9788630976570268
Energy: 1.0286727653628622
Energy: 1.0286271716844677
Energy: 1.0286727653628622
Energy: 1.0019499079114518
Energy: 1.1126197166285026
Energy: 0.9809087451624889
Energy: 1.1126197166285026
Energy: 0.9724078481342852
Energy: 1.1189339516132246
Energy: 1.0622253301939508
Energy: 1.1189339516156334
Energy: 1.1986711717540235
Energy: 1.0530675353131995
Energy: 1.0280000698237257
Energy: 1.0530675353131995
Energy: 0.970676684244227
Energy: 0.9667091357166046
Energy: 1.1927726539709897
Energy: 0.9667091357158015
Energy: 1.0122367148311828
Energy: 1.0283873978195321
Energy: 1.0008417407414238
Energy: 1.0283873978195321
Energy: 1.0286394392652518
Energy: 1.109937957873801
Energy: 0.996097110163756
Energy: 1.1099379578729978
Energy: 0.9697641688610057
Energy: 1.0352013561968472
Energy: 1.0525195410244153
Energy: 1.0352013561968472
Energy: 1.0292710739157602
Energy: 1.039711554357213
Energy: 0.9924823950915895
Energy: 1.039711554357213
Energy: 0.9682486222570386
Energy: 0.9660175929846355
Energy: 1.1063737197068277
Energy: 0.9660175929838326
Energy: 0.9702870669442496
Energy: 0.9994743958780758
Energy: 0.9862072397148264
Energy: 0.9994743958788789
Energy: 0.968172439919794
Energy: 0.9681388501194212
Energy: 1.2042343871254615
Energy: 0.9681388501186182

minimum gb energy = 0.9596884181799927 eV
minimum distance =  2.28616214419389 Angstroms
sigma value = 29


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

Energy: 0.9270839925237355
Energy: 0.9105784440097754
Energy: 1.366885173634928
Energy: 0.9105784440097754
Energy: 0.8920696174506855
Energy: 0.9281690159021098
Energy: 0.9246600143711945
Energy: 0.9281690159021098
Energy: 0.9416803952347584
Energy: 0.9767340958578874
Energy: 0.8928188410109048
Energy: 0.9767340958578874
Energy: 0.9250670537921273
Energy: 0.8921052051683512
Energy: 0.9249916043266473
Energy: 0.89210520514703
Energy: 0.927292128729996
Energy: 0.9564065745645433
Energy: 0.910974270749552
Energy: 0.9564065745647918
Energy: 0.9108003547064824
Energy: 0.9785863751661059
Energy: 0.9107842036051148
Energy: 0.9785863751661059
Energy: 0.9109892273224705
Energy: 0.9561835438807602
Energy: 0.9272731409270607
Energy: 0.9561835438813197
Energy: 0.9247954527256843
Energy: 0.8921755277873766
Energy: 0.9249047973508931
Energy: 0.8921755277876252
Energy: 0.8926068117975637
Energy: 0.9768812878170431
Energy: 0.9416431937598758
Energy: 0.9768812878172917

minimum gb energy = 0.8920696174506855 eV
minimum distance =  2.32742226617582 Angstroms
sigma value = 5


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

Energy: 0.9308437565617874
Energy: 0.924772929069121
Energy: 1.3492913779676963
Energy: 0.924772929069121
Energy: 1.0514511103812423
Energy: 0.9046060938236203
Energy: 0.9102145881145268
Energy: 0.9046060938236203
Energy: 0.898836379438793
Energy: 1.009432477716655
Energy: 1.0645909390116366
Energy: 1.009432477716655
Energy: 0.9345579047219108
Energy: 0.97156025163232
Energy: 0.9147072830570815
Energy: 0.97156025163232
Energy: 0.9175470276017308
Energy: 0.9770858719274681
Energy: 1.1226070065574474
Energy: 0.9770858719274681
Energy: 0.9519493207859699
Energy: 0.9295856791210239
Energy: 0.9074874405743917
Energy: 0.9295856791210239
Energy: 0.9081245799683466
Energy: 0.9820680950890527
Energy: 0.9029245256088592
Energy: 0.9820680950898112
Energy: 0.9069881792337431
Energy: 0.9300139665050781
Energy: 0.9001739490401562
Energy: 0.9300139665058366
Energy: 0.9091645631601883
Energy: 1.0639530855400732
Energy: 0.9008513609666707
Energy: 1.0639530855400732
Energy: 0.916096961533358
Energy: 0.9753077542485092
Energy: 0.9137292802440866
Energy: 0.9753077542485092
Energy: 0.9119733038158542
Energy: 0.9722647718596188
Energy: 0.8994018810213519
Energy: 0.9722647718588602
Energy: 0.9148572937099002
Energy: 0.9439716948735767
Energy: 1.0180413110459792
Energy: 0.9439716948720596
Energy: 0.986266468226055
Energy: 0.928235275392561
Energy: 0.9305464577732875
Energy: 0.9282352753933196
Energy: 0.909392066710529
Energy: 0.9718429968425502
Energy: 0.9739105708763449
Energy: 0.9718429968425502
Energy: 1.144257721199916
Energy: 0.9973561170269958
Energy: 0.8997515668831078
Energy: 0.997356117026237
Energy: 0.913306541881377
Energy: 0.9176784489154175
Energy: 1.058543620295828
Energy: 0.917678448914659
Energy: 1.0599216054866656
Energy: 0.9055944518739605
Energy: 0.9197915507181642
Energy: 0.9055944518739605
Energy: 0.908132646272225
Energy: 1.0135851310405697
Energy: 0.9997038433909985
Energy: 1.0135851310405697
Energy: 0.9268216902418606
Energy: 0.9836410184841552
Energy: 0.9045849513453085
Energy: 0.9836410184833967
Energy: 0.900115445011586
Energy: 0.9829399121706318
Energy: 0.9192166767883921
Energy: 0.9829399121706318
Energy: 0.919367037207681
Energy: 0.9704013953983915
Energy: 0.9180086274060683
Energy: 0.9704013953983915
Energy: 0.915714032445407
Energy: 0.9746945858108246
Energy: 0.9088894019538961
Energy: 0.9746945858115832
Energy: 0.9106748387943226
Energy: 0.9290106232002078
Energy: 0.9199267809725948
Energy: 0.9290106232002078
Energy: 1.0006375910776617
Energy: 0.9305842806738326
Energy: 0.8989689455669525
Energy: 0.9305842806738326
Energy: 1.0060546001533026
Energy: 0.9179190340582328
Energy: 0.9302273984499007
Energy: 0.9179190340582328
Energy: 0.9152485287183029
Energy: 0.9715158972479986
Energy: 0.9038946889051298
Energy: 0.9715158972487572
Energy: 0.9100369607853409
Energy: 0.8942932977226572
Energy: 1.0031812129208417
Energy: 0.8942932977218987
Energy: 0.9302220431423912
Energy: 0.9775179131952132
Energy: 0.9118583989514508
Energy: 0.9775179131952132
Energy: 0.8994210201990193
Energy: 0.9576572611763858
Energy: 1.1773919834779127
Energy: 0.9576572611816958
Energy: 1.0811771040013247
Energy: 1.014605913451644
Energy: 0.9076104773914432
Energy: 1.0146059134524026
Energy: 0.9062660656208503
Energy: 0.9201902994425467
Energy: 1.0660754209058445
Energy: 0.9201902994425467
Energy: 1.0567146010345483
Energy: 0.9695058854893368
Energy: 0.9092665269416575
Energy: 0.9695058854893368
Energy: 0.9161086721121726
Energy: 0.9730216908073482
Energy: 0.8967852728510275
Energy: 0.9730216908073482

minimum gb energy = 0.8942932977218987 eV
minimum distance =  2.29321689102877 Angstroms
sigma value = 1


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

Energy: 0.8908093557322031
Energy: 0.890674473947723
Energy: 1.1440454973306553
Energy: 0.890674473947723
Energy: 1.1270208542556315
Energy: 0.8551891075030571
Energy: 0.8699846811772244
Energy: 0.8551891075020083
Energy: 0.8538152035838558
Energy: 1.0121351245479746
Energy: 1.0025890538434108
Energy: 1.0121351245479746
Energy: 0.8713551394605513
Energy: 0.9534531370385672
Energy: 0.8608831717287674
Energy: 0.9534531370385672
Energy: 0.8547521390628713
Energy: 0.8853016341949985
Energy: 1.0605064757889835
Energy: 0.8853016341949985
Energy: 0.8558128034381175
Energy: 0.9522191908764317
Energy: 0.8609040688132443
Energy: 0.9522191908764317
Energy: 0.8554951830888936
Energy: 0.9770501629187609
Energy: 0.9240243231618611
Energy: 0.9770501629187609
Energy: 0.8542868622984707
Energy: 0.8934216523563064
Energy: 0.9292704157785293
Energy: 0.8934216523563064
Energy: 0.8897960552167353
Energy: 0.8875445186427646
Energy: 0.9024819828944798
Energy: 0.8875445186427646
Energy: 0.8897563499055846
Energy: 0.887478511885986
Energy: 0.8932964996216317
Energy: 0.887478511885986
Energy: 0.8543084036978558
Energy: 0.8936928845287505
Energy: 0.929443673361136
Energy: 0.8936928845297994
Energy: 0.854288570357361
Energy: 0.9769411664239454
Energy: 0.8690377237345757
Energy: 0.9769411664228965
Energy: 0.8557903655912511
Energy: 0.952042408924051
Energy: 0.8608949037427424
Energy: 0.952042408924051
Energy: 0.8548654536931113
Energy: 0.8853001152119508
Energy: 0.9910463387863475
Energy: 0.8853001152119508
Energy: 0.9146147325822962
Energy: 0.9496721652972682
Energy: 0.8604722037684734
Energy: 0.9496721652972682
Energy: 0.8538151274054321
Energy: 1.0118605411627628
Energy: 0.9619746997899156
Energy: 1.0118605411627628
Energy: 1.1270405472527796
Energy: 0.8552633056602208
Energy: 0.8698781755061469
Energy: 0.8552633056602208
Energy: 0.8908093557322031
Energy: 0.890674473947723
Energy: 1.1150812650382322
Energy: 0.890674473947723
Energy: 1.1270208542556315
Energy: 0.8551891075020083
Energy: 0.8699846811761756
Energy: 0.8551891075020083
Energy: 0.8538152035838558
Energy: 1.0121351245479746
Energy: 1.2206111805692539
Energy: 1.0121351245479746
Energy: 0.8713551394605513
Energy: 0.9534531370385672
Energy: 0.8608831717287674
Energy: 0.9534531370385672
Energy: 0.8547521390618225
Energy: 0.8853016341939497
Energy: 1.0474358506256887
Energy: 0.8853016341939497
Energy: 0.8558128034370687
Energy: 0.9522191908774806
Energy: 0.8609040688132443
Energy: 0.9522191908774806
Energy: 0.8554951830888936
Energy: 0.9770501629187609
Energy: 0.9089649191044957
Energy: 0.9770501629187609

minimum gb energy = 0.8538151274054321 eV
minimum distance =  2.30412758890883 Angstroms
sigma value = 17


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

Energy: 0.943919524265566
Energy: 0.9467873328783456
Energy: 1.110786423040895
Energy: 0.9467873328789939
Energy: 1.0832437685540157
Energy: 0.8676681193365365
Energy: 0.8639227495333642
Energy: 0.8676681193371848
Energy: 0.8620785865179282
Energy: 0.9560834636742331
Energy: 1.0561494043777222
Energy: 0.9560834636735849
Energy: 0.9801416762787167
Energy: 0.8622773651221576
Energy: 0.8688099246353651
Energy: 0.8622773651228058
Energy: 0.8608470819360021
Energy: 0.8830211095695188
Energy: 1.138572703970305
Energy: 0.8830211095688706
Energy: 0.8571304437432228
Energy: 0.9290600215696085
Energy: 0.8810292616158014
Energy: 0.9290600215611808
Energy: 0.8699537646765038
Energy: 0.9293766719310792
Energy: 0.9391415246629137
Energy: 0.9293766719310792
Energy: 0.8568337458013204
Energy: 0.9232470680373814
Energy: 0.8596164308898964
Energy: 0.9232470680373814
Energy: 0.9493381898178361
Energy: 0.9218447288758802
Energy: 0.9338962722478206
Energy: 0.9218447288765284
Energy: 0.9472085285834663
Energy: 0.9195003270303743
Energy: 0.8704975565328352
Energy: 0.9195003270310226
Energy: 0.8684639739705582
Energy: 0.9028599645929606
Energy: 0.8600103443016713
Energy: 0.9028599645949055
Energy: 0.8697818131122083
Energy: 0.9246728313389353
Energy: 0.8706957301483296
Energy: 0.9246728313389353
Energy: 0.8556084599061293
Energy: 0.9156721002861822
Energy: 0.8636701985508836
Energy: 0.9156721002848855
Energy: 0.8669051480967953
Energy: 1.012780442322049
Energy: 0.9636745139420025
Energy: 1.0127804423214006
Energy: 0.8703920838000541
Energy: 0.9181007565222994
Energy: 0.8942699436583118
Energy: 0.9181007565229476
Energy: 0.8628578558426004
Energy: 0.8778289332355981
Energy: 1.0528031604107568
Energy: 0.8778289332343014
Energy: 0.9380968190178349
Energy: 0.8584487080406895
Energy: 0.8670122788596096
Energy: 0.8584487080400413
Energy: 0.8636375792864908
Energy: 0.9249734690086816
Energy: 0.9190496487112765
Energy: 0.9249734690093299
Energy: 1.0377942589771547
Energy: 0.862165846162328
Energy: 0.8623931680005974
Energy: 0.862165846162328
Energy: 0.8753735441035814
Energy: 0.8749933770948426
Energy: 0.9770517607447328
Energy: 0.8749933770948426
Energy: 1.0480154476281374
Energy: 0.8701961743616259
Energy: 0.8653642993965771
Energy: 0.8701961743609776
Energy: 0.8720605214918771
Energy: 0.9656426251768766
Energy: 1.0235144508495415
Energy: 0.9656426251768766
Energy: 0.8943535191226007
Energy: 0.9245503363364735
Energy: 0.8776533121938082
Energy: 0.9245503439607662
Energy: 0.8686284867445881
Energy: 0.8726390006317849
Energy: 1.0700008474937974
Energy: 0.8726390006317849
Energy: 0.8742963464806474
Energy: 0.9638715102346707
Energy: 0.8664700868833829
Energy: 0.9638715102327258
Energy: 0.8666938056509815
Energy: 0.9439355554802157
Energy: 0.9669749650095061
Energy: 0.9439355554795674
Energy: 0.9942917107331198
Energy: 0.9149984309326792
Energy: 0.8591056547165047
Energy: 0.9149984309326792
Energy: 0.9541342243203998
Energy: 1.0446760846587766
Energy: 0.8615159007015253
Energy: 1.0446760846581282
Energy: 0.9599612624684707
Energy: 0.9425632266958854
Energy: 0.8653161754748706
Energy: 0.9425632266984786
Energy: 0.8675419071900913
Energy: 0.9122994068824126
Energy: 0.8966468840316486
Energy: 0.912299406883061
Energy: 0.8675973174950641
Energy: 0.9420766941300028
Energy: 0.8726049566686852
Energy: 0.9420766941306511
Energy: 0.8613080879647615
Energy: 0.9027973425227075
Energy: 0.869486998312842
Energy: 0.9027973425227075
Energy: 0.860253414274679
Energy: 0.9180807596145774
Energy: 1.0030277084045183
Energy: 0.9180807596152256
Energy: 0.9408412055098843
Energy: 0.9319830702401918
Energy: 0.8834836917251419
Energy: 0.9319830702388954
Energy: 0.8577670513024568
Energy: 0.9641177942425223
Energy: 0.8720118865018138
Energy: 0.9641177942444672
Energy: 0.9517912337571701
Energy: 1.0019369585208129
Energy: 0.8729150941830646
Energy: 1.001936958520165
Energy: 0.8759577666322579
Energy: 0.9841861658231442
Energy: 0.8582753368601362
Energy: 0.9841861658231442
Energy: 0.8983809904060112
Energy: 0.9268054478022238
Energy: 0.8696277206052405
Energy: 0.9268054478041687

minimum gb energy = 0.8556084599061293 eV
minimum distance =  2.28850095380511 Angstroms
sigma value = 89


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

Energy: 0.7876423159305372
Energy: 0.7877664550863612
Energy: 1.1147931442319776
Energy: 0.7877664550863612
Energy: 0.7968559477467052
Energy: 0.8096960491162964
Energy: 0.7983280072311971
Energy: 0.8096960491162964
Energy: 0.7965967899885115
Energy: 0.8443620244182122
Energy: 1.3340207406948565
Energy: 0.8443620244182122
Energy: 0.7882643634484245
Energy: 0.809647526860533
Energy: 0.7981607368519923
Energy: 0.8096475268621905
Energy: 0.7961020521617246
Energy: 0.7870639795449609
Energy: 0.8477523725580712
Energy: 0.7870639795449609
Energy: 0.7959498949323847
Energy: 0.7880753867523157
Energy: 0.7898566733298515
Energy: 0.7880753867523157
Energy: 0.7965707159685512
Energy: 0.9285221539577769
Energy: 0.7873391322598571
Energy: 0.9285221539577769
Energy: 0.8056984380095742
Energy: 0.9283698412139584
Energy: 0.7980733833135406
Energy: 0.9283698412122621
Energy: 0.7960452199888713
Energy: 0.8717882805831847
Energy: 0.789846375594714
Energy: 0.8717882805831847
Energy: 0.8097877187601115
Energy: 0.788394357847979
Energy: 0.7962055776429223
Energy: 0.7883943578445866
Energy: 0.7870972021498774
Energy: 0.8104074774530672
Energy: 0.7961743653305158
Energy: 0.8104074774530672
Energy: 0.7873869460528616
Energy: 0.9287905985749416
Energy: 0.7982955029686296
Energy: 0.9287905985749416
Energy: 0.7959743823058621
Energy: 0.8703482952215542
Energy: 0.803056393742332
Energy: 0.8703482952215542
Energy: 0.7959426731433971
Energy: 0.8694071045854829
Energy: 0.7958954675714073
Energy: 0.8694071045854829
Energy: 0.790199468260447
Energy: 0.8703701214555342
Energy: 0.7959854095642185
Energy: 0.8703701214555342

minimum gb energy = 0.7870639795449609 eV
minimum distance =  2.31587041204267 Angstroms
sigma value = 13


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

Energy: 0.8433172811337608
Energy: 0.9403965618128913
Energy: 1.254638887962967
Energy: 0.9403965618079146
Energy: 0.9441228254476298
Energy: 1.002190517475933
Energy: 0.7556330659955
Energy: 1.0021905174766437
Energy: 0.766393117925816
Energy: 1.0138061231489433
Energy: 0.928323713516671
Energy: 1.013806123149654
Energy: 0.7766089847494826
Energy: 0.9468690151294316
Energy: 0.7575533382929357
Energy: 0.9468690151301427
Energy: 0.7677085732124512
Energy: 0.9339030258742308
Energy: 0.8502743401225655
Energy: 0.9339030258735199
Energy: 0.756228599208474
Energy: 0.8338425260212389
Energy: 0.8269873328163566
Energy: 0.8338425260212389
Energy: 0.7631622340976646
Energy: 0.8307969824214336
Energy: 1.1492721102248296
Energy: 0.8307969824171679
Energy: 0.757723501455207
Energy: 0.8881894644159959
Energy: 0.8266075139330105
Energy: 0.8881894650811254
Energy: 0.7653996260943552
Energy: 0.8856860391489697
Energy: 1.0130120997552032
Energy: 0.8856860391503916
Energy: 0.9218303787799057
Energy: 0.9467014281665185
Energy: 0.7577080034763776
Energy: 0.9467014281665185
Energy: 0.7707910327849437
Energy: 0.834495050664698
Energy: 0.8495836692419955
Energy: 0.834495050663987
Energy: 1.0447326008602251
Energy: 0.9872862136805561
Energy: 0.7573089854130897
Energy: 0.9872862136805561
Energy: 0.791605692003305
Energy: 0.7650250356005664
Energy: 0.7704914680475256
Energy: 0.7650250356005664
Energy: 1.0148375439879498
Energy: 0.8342739033680108
Energy: 0.7604848255231265
Energy: 0.8342739033665889
Energy: 0.7710581462128044
Energy: 0.7587025786322087
Energy: 0.7599723970418477
Energy: 0.7587025786329197
Energy: 0.8157038495302147
Energy: 0.834588816863725
Energy: 0.7656362714825257
Energy: 0.8345888168644358
Energy: 0.7673952367192346
Energy: 0.8148020380990545
Energy: 0.7627348770624922
Energy: 0.8148020380990545
Energy: 0.7814263986052576
Energy: 0.8184274872960715
Energy: 0.8352526328069504
Energy: 0.8184274872967826
Energy: 0.7757624023230576
Energy: 0.7703321048736577
Energy: 0.8345718623246347
Energy: 0.7703321048722359
Energy: 0.7660428179144476
Energy: 0.9240697055822531
Energy: 0.835118129538029
Energy: 0.9240697055815422
Energy: 0.7665506934619086
Energy: 0.8272036592354124
Energy: 0.8347816075535212
Energy: 0.8272036592368344
Energy: 0.7652232984553236
Energy: 0.9131066390130428
Energy: 0.765684115841551
Energy: 0.9131066390130428
Energy: 0.8153731619026718
Energy: 0.834328450774821
Energy: 0.7627880493339585
Energy: 0.834328450774821
Energy: 0.7710675642963591
Energy: 0.7578644007380689
Energy: 0.7768649860522598
Energy: 0.757864400737358
Energy: 1.0659008383615984
Energy: 0.8832133896129806
Energy: 0.757464242702803
Energy: 0.8832133896087148
Energy: 0.8513480404710265
Energy: 0.7787591796298431
Energy: 0.7883382438614366
Energy: 0.7787591796291322
Energy: 0.9865861382098756
Energy: 0.946561748229451
Energy: 0.7568995059552418
Energy: 0.9465617482308729
Energy: 0.7722016378082561
Energy: 0.835082636944759
Energy: 0.8255692080369649
Energy: 0.8350826369454699
Energy: 0.8423366558918768
Energy: 1.04374992502073
Energy: 0.7560086681586644
Energy: 1.043749925020019
Energy: 0.7630487891545461
Energy: 1.0343170047701817
Energy: 1.0596894957852498
Energy: 1.0343170047822678
Energy: 0.7593700613010564
Energy: 0.888518799153282
Energy: 0.8265371835995543
Energy: 0.8885187991554151
Energy: 0.7634444227486171
Energy: 1.036395018886674
Energy: 1.1410015970998006
Energy: 1.036395018886674
Energy: 0.7783646639947568
Energy: 0.8333193567515519
Energy: 0.8266369199761584
Energy: 0.8333193568027406
Energy: 0.7651398312381941
Energy: 1.0296759469462693
Energy: 0.8536165596700978
Energy: 1.0296759469455585
Energy: 0.8235054347913443
Energy: 1.0033551526666824
Energy: 0.7555607661902968
Energy: 1.0033551526681042

minimum gb energy = 0.7555607661902968 eV
minimum distance =  2.28327487473385 Angstroms
sigma value = 37


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

Energy: 0.7156007818488138
Energy: 0.7149509277331197
Energy: 1.2187884343317912
Energy: 0.7149509277331197
Energy: 0.8937641409513988
Energy: 0.714218040125643
Energy: 0.6884801217350444
Energy: 0.714218040125643
Energy: 0.6828396171226582
Energy: 0.9907092533581688
Energy: 1.2302584664262342
Energy: 0.9907092533544992
Energy: 0.6878960640891308
Energy: 0.9025388477647862
Energy: 0.6884939063430786
Energy: 0.9025388477660093
Energy: 0.6874529154180545
Energy: 0.7140049789864258
Energy: 0.7412150108534222
Energy: 0.7140049789864258
Energy: 0.6845036229922691
Energy: 0.7142626106655561
Energy: 0.685094163457344
Energy: 0.7142626106655561
Energy: 0.6887373198313713
Energy: 1.113518902095365
Energy: 0.8939111741028634
Energy: 1.113518902095365
Energy: 0.6874959151310498
Energy: 0.7148462496129008
Energy: 0.7179434392656671
Energy: 0.7148462496129008
Energy: 0.6876917098892802
Energy: 0.7140801744516364
Energy: 0.9948825930630926
Energy: 0.7140801744516364
Energy: 0.9850080830097007
Energy: 0.9925309403186692
Energy: 0.685273168094507
Energy: 0.9925309403186692
Energy: 0.688702075896346
Energy: 0.9264767022090906
Energy: 0.6829969774810725
Energy: 0.9264767022090906
Energy: 0.9247469571834133
Energy: 0.7146162308501652
Energy: 0.6885724670526172
Energy: 0.7146162308513884
Energy: 0.6826488989864783
Energy: 0.7143749404227804
Energy: 0.6981665352938896
Energy: 0.7143749404227804
Energy: 0.891414374560749
Energy: 0.9275367668727669
Energy: 0.6872793675251854
Energy: 0.9275367668715437
Energy: 0.7140598159491062
Energy: 0.7470863271493096
Energy: 0.6873344885091559
Energy: 0.7470863271505327
Energy: 0.7142159609094231
Energy: 0.7144356435058179
Energy: 0.6884745667269536
Energy: 0.7144356435045948
Energy: 0.6882664568269089
Energy: 0.8066517956479718
Energy: 0.6943715155347929
Energy: 0.8066517956479718
Energy: 0.6828120770308367
Energy: 0.8356825943972824
Energy: 0.6872261298094017
Energy: 0.8356825943985057
Energy: 0.6888056108879437
Energy: 0.7158721381575318
Energy: 0.6873002784120444
Energy: 0.7158721381575318
Energy: 0.6873493766032982
Energy: 0.71498707898124
Energy: 0.6827129637645365
Energy: 0.71498707898124

minimum gb energy = 0.6826488989864783 eV
minimum distance =  2.33111797256409 Angstroms
sigma value = 25


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

Energy: 0.6589870039940046
Energy: 0.6255779499335535
Energy: 1.1457824298101993
Energy: 0.6255779499345087
Energy: 0.9343832110039937
Energy: 0.7803685843746678
Energy: 0.6278066314324137
Energy: 0.7803685843746678
Energy: 0.623089533278756
Energy: 0.6230127133641082
Energy: 1.114537527005768
Energy: 0.6230127133641082
Energy: 0.7740522677658517
Energy: 0.9237308468547897
Energy: 0.6282135022056234
Energy: 0.9237308468557447
Energy: 0.6277491286451891
Energy: 0.7809584313694614
Energy: 0.6525115155507996
Energy: 0.7809584313694614
Energy: 0.6118947918363472
Energy: 0.7804155178170291
Energy: 0.6282570124213293
Energy: 0.7804155178112984
Energy: 0.6282228069259699
Energy: 0.6229190180286248
Energy: 0.6598924931661784
Energy: 0.6229190180276698
Energy: 0.6099388959176981
Energy: 0.7983890791337098
Energy: 0.6243607267993677
Energy: 0.7983890791327547
Energy: 0.6270961716782143
Energy: 0.9236819232557285
Energy: 0.9918994176805642
Energy: 0.9236819232566835
Energy: 0.6121290989939754
Energy: 0.7689153691466475
Energy: 0.6604545934987891
Energy: 0.7689153691457357
Energy: 0.6281081772167563
Energy: 0.6229834161436737
Energy: 0.938777984538268
Energy: 0.6229834161436737
Energy: 0.8503107488253996
Energy: 0.9755376782595843
Energy: 0.6243304483644655
Energy: 0.9755376782614946
Energy: 0.627596020033654
Energy: 0.639521028290485
Energy: 0.8529549459557306
Energy: 0.6395210282914401
Energy: 0.8261582625278594
Energy: 0.6974302636049277
Energy: 0.6262635112441826
Energy: 0.6974302636049277
Energy: 0.6282659871666317
Energy: 0.6230984681371555
Energy: 0.6084718033666119
Energy: 0.6230984681371555
Energy: 0.827329978725035
Energy: 0.8690889011674393
Energy: 0.6312389210308811
Energy: 0.8690889011674393
Energy: 0.6276652679905502
Energy: 0.657937180542981
Energy: 0.6169497523393851
Energy: 0.657937180542981
Energy: 0.7807064563383143
Energy: 0.6391579521759659
Energy: 0.626442042821677
Energy: 0.6391579521750108
Energy: 0.6633500429222472
Energy: 0.6229143034589628
Energy: 0.6123346117511372
Energy: 0.6229143034589628
Energy: 0.9414749526208673
Energy: 0.8703952105067045
Energy: 0.6267624118277566
Energy: 0.8703952105067045
Energy: 0.6275647698760324
Energy: 0.8692351970222011
Energy: 0.6099050867975947
Energy: 0.8692351970231562
Energy: 0.623161099330048
Energy: 0.6392691315723937
Energy: 0.6264019493864157
Energy: 0.6392691315733489
Energy: 0.6282570055712695
Energy: 0.6953983741981887
Energy: 0.8300383833037426
Energy: 0.6953983741972337
Energy: 0.6087546798698786
Energy: 0.8706664275886966
Energy: 0.627263637868477
Energy: 0.8706664275886966
Energy: 0.6263613194327377
Energy: 0.8693987564301029
Energy: 0.8270890525980382
Energy: 0.8693987564320131
Energy: 0.612341840346836
Energy: 0.6584663351924712
Energy: 0.6290365185431241
Energy: 0.6584663351915161

minimum gb energy = 0.6084718033666119 eV
minimum distance =  2.33314338008496 Angstroms
sigma value = 41


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

Energy: 0.8089766964623575
Energy: 0.8100879491342248
Energy: 1.0955064860592874
Energy: 0.8100879491342248
Energy: 1.0701911212484823
Energy: 0.6859561745531269
Energy: 0.5626652346535903
Energy: 0.6859561745515608
Energy: 0.5790992916170143
Energy: 0.5610409294351749
Energy: 1.026936854840468
Energy: 0.5610409294343919
Energy: 0.8173947805402628
Energy: 0.6856455279943506
Energy: 0.5626206568778193
Energy: 0.6856455279951337
Energy: 0.5591790849237325
Energy: 0.8213051219093245
Energy: 0.5876075893930685
Energy: 0.8213051219093245
Energy: 0.6873929646054928
Energy: 0.684401787051955
Energy: 0.5627512317411224
Energy: 0.684401787051955
Energy: 0.5620029569985362
Energy: 0.6878333923086124
Energy: 0.5914605304661713
Energy: 0.6878333923086124
Energy: 0.5540862135420332
Energy: 0.694598451929231
Energy: 0.5598832303057273
Energy: 0.6945984576171624
Energy: 0.5646483261271183
Energy: 0.6946531774042118
Energy: 0.7765583983137929
Energy: 0.6946531774049949
Energy: 0.5531179574169891
Energy: 0.5607645838893477
Energy: 0.5800463566250393
Energy: 0.5607645838877816
Energy: 0.5622229767997942
Energy: 0.568995829081675
Energy: 0.950074489553758
Energy: 0.568995829080892
Energy: 0.5541632225304214
Energy: 0.694401224537179
Energy: 0.8095986267590071
Energy: 0.694401224537962
Energy: 0.564699408103107
Energy: 0.6969745495635795
Energy: 1.008827120322855
Energy: 0.6969745495933001
Energy: 0.7507791936946147
Energy: 0.6450320053572861
Energy: 0.5798652275972296
Energy: 0.6450320053572861
Energy: 0.5620578910070388
Energy: 0.5695028376292975
Energy: 0.8279104211226006
Energy: 0.5695028376285145
Energy: 0.7342564043251897
Energy: 0.6941449297108
Energy: 0.5599864533589263
Energy: 0.694144929709234
Energy: 0.5645685270291402
Energy: 0.697622714230752
Energy: 0.7561965567839469
Energy: 0.6976227050331693
Energy: 0.732847133489099
Energy: 0.6421641004821476
Energy: 0.5627082478590237
Energy: 0.6421641004821476
Energy: 0.5618658639582718
Energy: 0.5799474131119375
Energy: 0.5515095047783135
Energy: 0.5799474131111544
Energy: 0.7339959944680806
Energy: 0.6950655069077315
Energy: 0.5647880801600774
Energy: 0.6950655069069485
Energy: 0.5819898457528347
Energy: 0.58188177005756
Energy: 0.5571206291146256
Energy: 0.5818817700591261
Energy: 0.9385503464724869
Energy: 0.5938915588372775
Energy: 0.5626520705986421
Energy: 0.5938915588380606
Energy: 0.8112778189083906
Energy: 0.6949460339151721
Energy: 0.5544168847529359
Energy: 0.6949460339159552
Energy: 0.8121858858808444
Energy: 0.6947160426138324
Energy: 0.5642413869330035
Energy: 0.6947160426130493
Energy: 0.5818925572816495
Energy: 0.6420665955376573
Energy: 0.5528474283825128
Energy: 0.6420665955376573
Energy: 0.8091655655299749
Energy: 0.5931816008511611
Energy: 0.5626222542201
Energy: 0.5931816008503782
Energy: 0.5620054434671281
Energy: 0.6948844265055906
Energy: 0.7382059467816412
Energy: 0.6948844265979555
Energy: 0.5594959455167471
Energy: 0.5821317176815292
Energy: 0.5645394007728073
Energy: 0.5821317176807462
Energy: 0.56480137357538
Energy: 0.6420845115159414
Energy: 0.7352099922988047
Energy: 0.6420845115135921
Energy: 0.5513254698276551
Energy: 0.722457321778475
Energy: 0.565443350008721
Energy: 0.7224573216532217
Energy: 0.5666759366640427
Energy: 0.6949858258732619
Energy: 0.733990640608556
Energy: 0.6949858258724788
Energy: 0.554276369617239
Energy: 0.5794302789140039
Energy: 0.5850778134335283
Energy: 0.5794302789132207

minimum gb energy = 0.5513254698276551 eV
minimum distance =  2.32250663429481 Angstroms
sigma value = 15


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

Energy: 0.799044994885529
Energy: 0.5335984709644552
Energy: 1.0606449193000627
Energy: 0.5335984709624652
Energy: 1.0130335314817562
Energy: 0.5751800200001779
Energy: 0.5259196867225834
Energy: 0.5751800199981878
Energy: 0.5965378136363316
Energy: 0.5841446414582611
Energy: 0.6771585274859402
Energy: 0.5841446414575977
Energy: 0.9101927594532814
Energy: 0.5799724600038461
Energy: 0.5259552246622383
Energy: 0.5799724600124697
Energy: 0.5770539184242125
Energy: 0.7266398385757759
Energy: 0.5888248364054968
Energy: 0.7266398385731224
Energy: 0.7991875284781434
Energy: 0.5759387362318261
Energy: 0.5263539696789477
Energy: 0.5759387362318261
Energy: 0.5302897790705415
Energy: 0.7280451050237218
Energy: 0.5928795154058266
Energy: 0.7280451050237218
Energy: 0.6718441435114636
Energy: 0.6285587790858622
Energy: 0.5311412439905625
Energy: 0.6285587789114596
Energy: 0.5272790554600771
Energy: 0.5349957853798869
Energy: 0.7525633451684818
Energy: 0.5349957853792235
Energy: 0.5656194232329542
Energy: 0.5265677142353404
Energy: 0.5771562045412519
Energy: 0.5265677143281501
Energy: 0.5255986614651282
Energy: 0.6267893464428224
Energy: 0.9083115949057893
Energy: 0.6267893464414956
Energy: 0.5153605234386236
Energy: 0.5851952227600713
Energy: 0.59695988274858
Energy: 0.5851952220095126
Energy: 0.5272633177133977
Energy: 0.5408140092741748
Energy: 1.0535045898043043
Energy: 0.5408140092741748
Energy: 0.5103641351431876
Energy: 0.5324979914955584
Energy: 0.7348454126662083
Energy: 0.5324979914962218
Energy: 0.5255492739418072
Energy: 0.5758697822590901
Energy: 0.9605420069730533
Energy: 0.5758697877916718
Energy: 0.6910574096810895
Energy: 0.5824655121456508
Energy: 0.5968746300422428
Energy: 0.5824655119161893
Energy: 0.527019118525181
Energy: 0.588974636383595
Energy: 0.9585357880038263
Energy: 0.5889746363617043
Energy: 0.6812552172593502
Energy: 0.5761324247955321
Energy: 0.5771298975413649
Energy: 0.5761324247948687
Energy: 0.5268098508485111
Energy: 0.524586037451578
Energy: 0.7985019256384254
Energy: 0.5245860374602016
Energy: 0.725873312440515
Energy: 0.6229395587187853
Energy: 0.5314339608638226
Energy: 0.622939558558313
Energy: 0.5330052445186768
Energy: 0.5915837588147861
Energy: 0.6727801777487995
Energy: 0.5915837589341302
Energy: 0.7194837591063344
Energy: 0.5333619967189681
Energy: 0.529406053525822
Energy: 0.533361996716978
Energy: 0.5782195281163994
Energy: 0.5257698790451976
Energy: 0.5615900437359391
Energy: 0.5257698790438707
Energy: 0.9381468681676824
Energy: 0.5749878050028123
Energy: 0.5260160536907005
Energy: 0.5749878050048024
Energy: 0.5987987308435699
Energy: 0.544491683629204
Energy: 0.5136422890420602
Energy: 0.5444916836112933
Energy: 0.9161513835002973
Energy: 0.5339006968824054
Energy: 0.5291520240479938
Energy: 0.533900696881742
Energy: 0.8003557238257661
Energy: 0.5299280165634513
Energy: 0.5101061529288452
Energy: 0.5299280165455407
Energy: 1.0089042891125062
Energy: 0.5247730757282119
Energy: 0.5259741614936562
Energy: 0.5247730757255584
Energy: 0.5982045028983316
Energy: 0.5959350129282444
Energy: 0.524150850758771
Energy: 0.5959350129289077
Energy: 0.8076494064567292
Energy: 0.5894632831891756
Energy: 0.5292604906727824
Energy: 0.5894632825745449
Energy: 0.5785572128999356
Energy: 0.5761211309956555
Energy: 0.6787786943478145
Energy: 0.5761211309943288
Energy: 0.7957864397652753
Energy: 0.5240455651498908
Energy: 0.5282319904034115
Energy: 0.5240455651472373
Energy: 0.5329817403484456
Energy: 0.5951562675772406
Energy: 0.7175396049572472
Energy: 0.595156267575914
Energy: 0.5644994290658654
Energy: 0.5914539977908595
Energy: 0.5353658260101786
Energy: 0.5914539977988198
Energy: 0.5192076353640132
Energy: 0.5756412047271776
Energy: 0.7162791537579123
Energy: 0.575641204727841
Energy: 0.5607879419126114
Energy: 0.5250183191409883
Energy: 0.5804822344244183
Energy: 0.5250183191416516
Energy: 0.52743681238267
Energy: 0.595986609526435
Energy: 0.9409914422986216
Energy: 0.5959866095270984

minimum gb energy = 0.5101061529288452 eV
minimum distance =  2.32729076381798 Angstroms
sigma value = 85


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

Energy: 0.6894887951875371
Energy: 0.5064329821693104
Energy: 1.010531050552872
Energy: 0.5064329821704611
Energy: 1.038677475641627
Energy: 0.581338308107594
Energy: 0.4785091773008177
Energy: 0.5813383081070187
Energy: 0.6602837038759339
Energy: 0.6608578313092258
Energy: 0.6354738948787504
Energy: 0.6608578313086506
Energy: 0.8472901907840042
Energy: 0.5813835907075932
Energy: 0.47837773823686874
Energy: 0.5813835907070178
Energy: 0.5026707480652308
Energy: 0.4772133803314393
Energy: 0.5040832459879896
Energy: 0.47721338033201466
Energy: 0.7411166698407841
Energy: 0.5829441174004948
Energy: 0.4785742351303766
Energy: 0.582944117439042
Energy: 0.4763108902490141
Energy: 0.6741982759700306
Energy: 0.5086825623787788
Energy: 0.6741982759700306
Energy: 0.6464709648019322
Energy: 0.5810429012282712
Energy: 0.47849751168797533
Energy: 0.5810429010954221
Energy: 0.47801847636071865
Energy: 0.5688945988718653
Energy: 0.593698209289486
Energy: 0.5688945988724405
Energy: 0.5515275635681185
Energy: 0.6741043185071582
Energy: 0.4767297522071556
Energy: 0.6741043185077336
Energy: 0.47892828166138174
Energy: 0.5813581553820677
Energy: 0.6856073020147813
Energy: 0.5813581553820677
Energy: 0.4550259171687861
Energy: 0.5026324617873332
Energy: 0.5031773782172116
Energy: 0.5026324617867578
Energy: 0.47812878091532673
Energy: 0.56907888032793
Energy: 0.8209568637900629
Energy: 0.5690788803273545
Energy: 0.45549432853346306
Energy: 0.6608476672964317
Energy: 0.6607206949286879
Energy: 0.6608476672964317
Energy: 0.47936594198595944
Energy: 0.5812067248486357
Energy: 0.938117194203622
Energy: 0.5812067247675401
Energy: 0.45495062759116683
Energy: 0.5065345223836164
Energy: 0.690026640388834
Energy: 0.5065345223836164
Energy: 0.4780248610013459
Energy: 0.4890205560751639
Energy: 0.9801103366388075
Energy: 0.48902055607573924
Energy: 0.6032523158569519
Energy: 0.5813030504820718
Energy: 0.6609265518246378
Energy: 0.5813030504820718
Energy: 0.47940707980962033
Energy: 0.5811704058371133
Energy: 0.847308026203032
Energy: 0.5811704058359626
Energy: 0.5903550769843089
Energy: 0.5064406350603973
Energy: 0.5030265125794126
Energy: 0.506440635059822
Energy: 0.47810557215371796
Energy: 0.48888381851303025
Energy: 0.7915599318798274
Energy: 0.48888381851303025
Energy: 0.5889930150464703
Energy: 0.5811149805004018
Energy: 0.4769038319720224
Energy: 0.5811149805004018
Energy: 0.4798114563861278
Energy: 0.581307236648928
Energy: 0.6393386378415512
Energy: 0.5813072366495035
Energy: 0.5925467748819332
Energy: 0.5209750470125313
Energy: 0.4785948003211751
Energy: 0.5209750470136818
Energy: 0.4781750543838375
Energy: 0.5025999748663194
Energy: 0.6008620417001405
Energy: 0.5025999748674439
Energy: 0.7712488852782057
Energy: 0.5816875233507991
Energy: 0.48026268170512315
Energy: 0.5816875233513745
Energy: 0.5043353253821997
Energy: 0.5025403536186573
Energy: 0.4546227917676191
Energy: 0.5025403536203833
Energy: 0.778391670876968
Energy: 0.5187389976589316
Energy: 0.4785785765250778
Energy: 0.5187389976589316
Energy: 0.6623172424230556
Energy: 0.5815306591113932
Energy: 0.45527047217353545
Energy: 0.5815306591113932
Energy: 0.938066065081362
Energy: 0.5814654736501351
Energy: 0.4794786934067938
Energy: 0.5814654736512858
Energy: 0.6908887761191292
Energy: 0.5029222651552562
Energy: 0.45477531244829456
Energy: 0.5029222651546807
Energy: 0.863672927051977
Energy: 0.5187899206194729
Energy: 0.4785562189041291
Energy: 0.5187899206188976
Energy: 0.6620504372338127
Energy: 0.5819955616985666
Energy: 0.45537245987661057
Energy: 0.5819955616997172
Energy: 0.847368423841835
Energy: 0.5812563685396634
Energy: 0.47969466127056526
Energy: 0.5812563685402389
Energy: 0.5046136979693924
Energy: 0.5024282246895846
Energy: 0.5893469834022783
Energy: 0.5024282246907352
Energy: 0.6510805933948915
Energy: 0.5186581341937602
Energy: 0.4787640999391305
Energy: 0.5186581341926095
Energy: 0.47815417114575154
Energy: 0.5811067729557775
Energy: 0.5883730438440701
Energy: 0.5811067729649567
Energy: 0.6388207748527653
Energy: 0.5024124380044349
Energy: 0.48028220683257894
Energy: 0.5024124380032844
Energy: 0.4788316656084208
Energy: 0.502362240598967
Energy: 0.5931751128863949
Energy: 0.5023622405978163
Energy: 0.4602109950310716
Energy: 0.6123392960958237
Energy: 0.48003219718192414
Energy: 0.612339296096399
Energy: 0.4778151967523438
Energy: 0.5812143733070584
Energy: 0.7709903739116157
Energy: 0.5812143733076337
Energy: 0.4531578679548639
Energy: 0.5023965665887925
Energy: 0.5065414062554359
Energy: 0.5023965665887925
Energy: 0.47998216136118604
Energy: 0.5024505945619462
Energy: 0.7792147831578093
Energy: 0.5024505945619462

minimum gb energy = 0.4531578679548639 eV
minimum distance =  2.33798283692213 Angstroms
sigma value = 113


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

Energy: 0.015442447860618167
Energy: 0.016935064180446133
Energy: 0.8326621195095996
Energy: 0.016935064180446133
Energy: 0.6111898182014843
Energy: 0.2587785758408997
Energy: 0.258652768296974
Energy: 0.2587785758404575
Energy: 0.015442447860618167
Energy: 0.016935064180446133
Energy: 0.8326621195299201
Energy: 0.016935064180003845
Energy: 0.6111898182014843
Energy: 0.2587785758408997
Energy: 0.258652768296974
Energy: 0.2587785758408997
Energy: 0.015442447860618167
Energy: 0.016935064180446133
Energy: 0.8326621195221309
Energy: 0.016935064180003845
Energy: 0.6111898182014843
Energy: 0.2587785758404575
Energy: 0.258652768296974
Energy: 0.2587785758404575

minimum gb energy = 0.015442447860618167 eV
minimum distance =  2.54740360099856 Angstroms
sigma value = 1