Model name: model_name=Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.082927376031875
cohesive_energy=6.489023218313714
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.017248373717633
Energy: 0.01765504481552719
Energy: 0.01097281276472184
Energy: 0.01765504481509599
Energy: 0.017248373717633
Energy: 0.0176550448142815
Energy: 0.017655044814712702
Energy: 2.3970458581044096
Energy: 0.017655044814712702
Energy: 2.3970458581035468
Energy: 0.01765504481552719
Energy: 2.397045858105224
Energy: 0.010972812764290641
Energy: 0.0176550448142815
Energy: 0.017248373717633
Energy: 0.017655044814712702
Energy: 0.010972812764290641
Energy: 0.017655044814712702
Energy: 0.017655044814712702
Energy: 2.3970458581044096
Energy: 0.01765504481552719
Energy: 2.397045858105224
Energy: 0.017655044814712702
Energy: 2.3970458581044096
Energy: 0.017248373717633
Energy: 0.01765504481509599
Energy: 0.010972812763859443
Energy: 0.017655044814712702
Energy: 0.017248373717633
Energy: 0.01765504481509599
Energy: 0.01765504481509599
Energy: 2.397045858105224
Energy: 0.0176550448142815
Energy: 2.3970458581044096
Energy: 0.0176550448142815
Energy: 2.397045858104841

minimum gb energy = 0.010972812763859443 eV
minimum distance =  2.5990221475941 Angstroms
sigma value = 1


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

Energy: 1.5164345575002947
Energy: 0.6090013388242876
Energy: 1.3506968041059513
Energy: 0.6090013388242876
Energy: 1.5164345575002947
Energy: 0.6090013388232497
Energy: 1.4270032010945821
Energy: 0.5516013614535863
Energy: 1.508664914614346
Energy: 0.5516013614556622
Energy: 1.4270032010956202
Energy: 0.5516013614546244
Energy: 1.3453670658889474
Energy: 0.5481288648691359
Energy: 1.5322237994850978
Energy: 0.5481288648701738
Energy: 1.3453670658868713
Energy: 0.5481288648691359
Energy: 1.5254181625457766
Energy: 0.29681985184942083
Energy: 1.4294545405103098
Energy: 0.29681985184942083
Energy: 1.5254181625447385
Energy: 0.29681985184942083
Energy: 1.5653881417774038
Energy: 0.7447666195955694
Energy: 1.5622517557775606
Energy: 0.7447666195945315
Energy: 1.56538814177429
Energy: 0.7447666195945315
Energy: 1.5368216459432515
Energy: 0.5487578735441777
Energy: 1.3513796290315487
Energy: 0.5487578735452157
Energy: 1.5368216459401376
Energy: 0.5487578735431399
Energy: 1.5352277459040178
Energy: 0.5486547621841269
Energy: 1.352826212656667
Energy: 0.548654762185165
Energy: 1.5352277459019419
Energy: 0.5486547621841269
Energy: 1.5588635836350073
Energy: 0.6098003295335406
Energy: 1.3466632152335005
Energy: 0.6098003295325026
Energy: 1.5588635836360454
Energy: 0.6098003295325026
Energy: 1.5267143448072005
Energy: 0.2976417125544176
Energy: 1.3470199633551065
Energy: 0.2976417125523417
Energy: 1.5267143448061624
Energy: 0.2976417125533796
Energy: 1.5344764458137035
Energy: 0.5467810004413569
Energy: 1.3515096475281372
Energy: 0.5467810004413569
Energy: 1.5344764458137035
Energy: 0.5467810004413569
Energy: 1.5184271393674664
Energy: 0.5626900996453135
Energy: 1.5062713815586075
Energy: 0.5626900996473894
Energy: 1.5184271393716182
Energy: 0.5626900996473894
Energy: 1.346697837242255
Energy: 0.9039484121191038
Energy: 1.3467415728146348
Energy: 0.9039484121180659
Energy: 1.3466978372432927
Energy: 0.9039484121191038
Energy: 1.5062579874253663
Energy: 0.5626900996473894
Energy: 1.4336520167148854
Energy: 0.5626900996484273
Energy: 1.5062579874264042
Energy: 0.5626900996494653
Energy: 1.3514777847415702
Energy: 0.5468046729749392
Energy: 1.5344856097712636
Energy: 0.5468046729739013
Energy: 1.3514777847457222
Energy: 0.5468046729749392
Energy: 1.347567705424079
Energy: 0.2976468248234929
Energy: 1.5265429082304924
Energy: 0.2976468248234929
Energy: 1.3476087954870941
Energy: 0.29764682482556887
Energy: 1.3448922436177995
Energy: 0.6097573127872624
Energy: 1.5588917741941068
Energy: 0.6097573127872624
Energy: 1.3448515998185153
Energy: 0.6097573127872624
Energy: 1.3528392226446782
Energy: 0.5485890178196078
Energy: 1.5352344054400648
Energy: 0.5485890178206457
Energy: 1.352839222646754
Energy: 0.5485890178196078
Energy: 1.3513989842872094
Energy: 0.5487706250899683
Energy: 1.5371829361382157
Energy: 0.5487706250889304
Energy: 1.351398952815068
Energy: 0.5487706250899683
Energy: 1.4466361697003531
Energy: 0.7448198131950611
Energy: 1.5651736845990543
Energy: 0.7448198131950611
Energy: 1.4466361696878978
Energy: 0.744819813196099
Energy: 1.4295991801762684
Energy: 0.29681106548433583
Energy: 1.5254153391062628
Energy: 0.29681106548433583
Energy: 1.4295991801752304
Energy: 0.29681106548433583
Energy: 1.5322554885122746
Energy: 0.5482300767529948
Energy: 1.3453591176391624
Energy: 0.5482300767529948
Energy: 1.5322554885122746
Energy: 0.5482300767529948
Energy: 1.5086898143957042
Energy: 0.5516533186007316
Energy: 1.4270156826302212
Energy: 0.5516533186007316
Energy: 1.5086898143957042
Energy: 0.5516533186007316
Energy: 1.4441932238077972
Energy: 0.6090013388242876
Energy: 1.5164345575002947
Energy: 0.6090013388242876
Energy: 1.4441932198279743
Energy: 0.6090013388232497

minimum gb energy = 0.29681106548433583 eV
minimum distance =  2.47947303612274 Angstroms
sigma value = 33


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

Energy: 1.8003472572640487
Energy: 0.8615276171821992
Energy: 0.7117483211128354
Energy: 0.8615276171810183
Energy: 1.8003472572593255
Energy: 0.8615276171810183
Energy: 1.3035909683119644
Energy: 0.78381702426116
Energy: 1.4376851051087698
Energy: 0.7838170242635215
Energy: 1.3035909683149163
Energy: 0.7838170242635215
Energy: 1.2806332083375174
Energy: 0.934417898450044
Energy: 1.4504486665913305
Energy: 0.934417898450044
Energy: 1.2806735324766827
Energy: 0.9344178984494534
Energy: 1.3388330687403724
Energy: 0.686121124320168
Energy: 0.6637278705259446
Energy: 0.6861211243195775
Energy: 1.338833068887914
Energy: 0.6861211243195775
Energy: 1.3281044109967834
Energy: 0.7739142272617713
Energy: 1.4836017774345291
Energy: 0.7739142272611809
Energy: 1.328104400196458
Energy: 0.7739142272611809
Energy: 1.3612866138229893
Energy: 0.7804700416268555
Energy: 1.2850471949479387
Energy: 0.7804700416262652
Energy: 1.361286613828303
Energy: 0.7804700416262652
Energy: 1.348758813747236
Energy: 0.7706965934725523
Energy: 0.5438562516060463
Energy: 0.7706965934713715
Energy: 1.3487588141544382
Energy: 0.7706965934731427
Energy: 1.3258510848183611
Energy: 0.7701302252094576
Energy: 1.3891798980434766
Energy: 0.7701302252094576
Energy: 1.3258575351076354
Energy: 0.7701302252094576
Energy: 1.2939478320687916
Energy: 0.6873588721810961
Energy: 1.4226693399518482
Energy: 0.6873588721805056
Energy: 1.2939478320687916
Energy: 0.6873588721799153
Energy: 1.3108008819318389
Energy: 0.8525572470661428
Energy: 1.3335670001613429
Energy: 0.8525572470655525
Energy: 1.3108008819318389
Energy: 0.8525572470655525
Energy: 1.3350348584756004
Energy: 0.7673284484703927
Energy: 1.449935407353406
Energy: 0.7673284484668504
Energy: 1.3350458164813386
Energy: 0.767328448472164
Energy: 1.4541858265876322
Energy: 0.7751770095976064
Energy: 1.330308540273177
Energy: 0.7751770095976064
Energy: 1.4541858265876322
Energy: 0.7751770095976064
Energy: 1.4446207798176292
Energy: 0.6378201753969945
Energy: 1.2692851688128597
Energy: 0.6378201753969945
Energy: 1.4446207798164485
Energy: 0.6378201753964041
Energy: 1.2954047029274345
Energy: 0.8524445746878375
Energy: 1.259511505945298
Energy: 0.8524445746884278
Energy: 1.295404702926844
Energy: 0.8524445746884278
Energy: 1.4203298601077166
Energy: 0.7830077061875339
Energy: 1.288028456767591
Energy: 0.7830077061869434
Energy: 1.4203298601047643
Energy: 0.7830077061875339
Energy: 1.4175286811759036
Energy: 0.7721274532874743
Energy: 1.3320208209834623
Energy: 0.7721274532874743
Energy: 1.4175286811759036
Energy: 0.7721274532874743
Energy: 1.4505417028622642
Energy: 0.7842993367063794
Energy: 1.3337972889159575
Energy: 0.7842993367075602
Energy: 1.4505417028628544
Energy: 0.7842993367075602
Energy: 1.445793476142341
Energy: 0.7861312513972736
Energy: 1.2882558029088516
Energy: 0.7861312513984544
Energy: 1.445793476142341
Energy: 0.7861312513966833
Energy: 1.2856508960538522
Energy: 0.777060550827214
Energy: 1.389143284779447
Energy: 0.7770605508266237
Energy: 1.285650895528037
Energy: 0.7770605508266237
Energy: 1.3381908697349438
Energy: 0.6887260790289963
Energy: 1.411434398757888
Energy: 0.6887260790266347
Energy: 1.3381908697355342
Energy: 0.6887260790278156
Energy: 1.4356961689210728
Energy: 0.8465892800650651
Energy: 0.45019758008628025
Energy: 0.8465892800650651
Energy: 1.4356961689198922
Energy: 0.8465892800650651
Energy: 1.2903751642121948
Energy: 1.077124641838221
Energy: 1.4494058500572153
Energy: 1.0771246418376308
Energy: 1.290375159314178
Energy: 1.0771246418370404
Energy: 1.3320787784433008
Energy: 0.769994415317548
Energy: 1.480153450089084
Energy: 0.7699944153169576
Energy: 1.3320787784415298
Energy: 0.7699944153181383
Energy: 1.4453893153579307
Energy: 0.8236105736137788
Energy: 1.451421200306059
Energy: 0.8236105736137788
Energy: 1.4453893153585209
Energy: 0.8236105736125979
Energy: 1.3325850778702455
Energy: 0.7745437119196684
Energy: 1.4503670549158587
Energy: 0.7745437119190781
Energy: 1.3325850778667032
Energy: 0.7745437119190781
Energy: 1.4150113617919566
Energy: 0.8696014464820999
Energy: 1.3162058871673437
Energy: 0.8696014464826903
Energy: 1.4150113617878242
Energy: 0.8696014464820999
Energy: 1.4157206272254754
Energy: 0.8696278656790797
Energy: 1.3084966777473945
Energy: 0.8696278656790797
Energy: 1.415720627224885
Energy: 0.8696278656784894
Energy: 1.3325586267331078
Energy: 0.774543665374661
Energy: 1.4503215499096596
Energy: 0.7745436653752515
Energy: 1.3325586267331078
Energy: 0.774543665374661
Energy: 1.4454762735285993
Energy: 0.8217348520039588
Energy: 1.451507461548449
Energy: 0.8217348520045492
Energy: 1.4454762735285993
Energy: 0.8217348520039588
Energy: 1.332072216882419
Energy: 0.7700426838583375
Energy: 1.392786568601406
Energy: 0.7700426838577472
Energy: 1.332072216882419
Energy: 0.770042683858928
Energy: 1.2903375506107664
Energy: 1.0771246418429439
Energy: 1.4494424169284486
Energy: 1.0771246418429439
Energy: 1.290337568201066
Energy: 1.0771246418429439
Energy: 1.4357069884405633
Energy: 0.8466469717792042
Energy: 0.6776993385844677
Energy: 0.8466469717797946
Energy: 1.4357069884411537
Energy: 0.8466469717803851
Energy: 1.3383687089156462
Energy: 0.6887689768461509
Energy: 1.411481736467981
Energy: 0.6887689768455606
Energy: 1.3383687089156462
Energy: 0.6887689768467412
Energy: 1.2856485614584456
Energy: 0.7770781163824343
Energy: 1.3306544286910629
Energy: 0.7770781163824343
Energy: 1.285648561202918
Energy: 0.7770781163824343
Energy: 1.4456269887886501
Energy: 0.7867802338088621
Energy: 1.446252598967612
Energy: 0.7867802338094524
Energy: 1.4456269887886501
Energy: 0.7867802338088621
Energy: 1.450665247484909
Energy: 0.780952648342309
Energy: 1.3338048426074567
Energy: 0.7809526483428995
Energy: 1.450665247480186
Energy: 0.7809526483428995
Energy: 1.4175345389631446
Energy: 0.7719022969416753
Energy: 1.3040989453622291
Energy: 0.7719022969434465
Energy: 1.4175345389672773
Energy: 0.7719022969434465
Energy: 1.4203529517902989
Energy: 0.7830308316273066
Energy: 1.2881549722129688
Energy: 0.7830308316273066
Energy: 1.4203529517908893
Energy: 0.7830308316273066
Energy: 1.295373020800331
Energy: 0.8528077755582568
Energy: 1.2594277652902266
Energy: 0.8528077755570761
Energy: 1.295373020801512
Energy: 0.8528077755570761
Energy: 1.444762705827399
Energy: 0.6381112727447571
Energy: 1.2691545336023995
Energy: 0.6381112727447571
Energy: 1.44476270582858
Energy: 0.638111272742986
Energy: 1.454178588811029
Energy: 0.7751176254892935
Energy: 1.303755063396342
Energy: 0.7751176254898838
Energy: 1.454178588811029
Energy: 0.7751176254898838

minimum gb energy = 0.45019758008628025 eV
minimum distance =  2.45734109591796 Angstroms
sigma value = 51


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

Energy: 1.2389095969826212
Energy: 0.968284225902491
Energy: 1.0780293861598873
Energy: 0.968284225902491
Energy: 1.2389095969826212
Energy: 0.968284225902491
Energy: 0.5308741498403292
Energy: 0.7990875912418585
Energy: 0.8224782100953866
Energy: 0.7990875912418585
Energy: 0.5308741498389923
Energy: 0.7990875912432265
Energy: 0.7216466016625558
Energy: 0.9738904082845087
Energy: 0.8702645569509624
Energy: 0.9738904082845087
Energy: 0.7216465983987977
Energy: 0.9738904082845087
Energy: 0.531580710850819
Energy: 0.9551149712452388
Energy: 0.8205118797595519
Energy: 0.9551149712466065
Energy: 0.531580710850819
Energy: 0.9551149712466065
Energy: 0.6199164683455783
Energy: 0.8739239872811073
Energy: 0.7784404549648752
Energy: 0.8739239872824751
Energy: 0.6199160629898018
Energy: 0.8739239872824751
Energy: 1.2411648825736563
Energy: 0.9007113467763226
Energy: 0.8268816275839076
Energy: 0.9007113467763226
Energy: 1.2411648825736563
Energy: 0.9007113467763226
Energy: 1.185215038020256
Energy: 0.874260059666109
Energy: 0.7601548245101473
Energy: 0.874260059666109
Energy: 1.185215038020256
Energy: 0.874260059666109
Energy: 0.6032066898159918
Energy: 0.9001204236150955
Energy: 0.6430657039345384
Energy: 0.9001204236150955
Energy: 0.6032086078208482
Energy: 0.9001204236150955
Energy: 1.1860347019205586
Energy: 0.8131609506738103
Energy: 0.7636701142560942
Energy: 0.8131609506751782
Energy: 1.1860347019191906
Energy: 0.8131609506751782
Energy: 0.7272474536022583
Energy: 1.0500454144567894
Energy: 0.6774232045255301
Energy: 1.0500454144554212
Energy: 0.7272474536036262
Energy: 1.0500454144554212
Energy: 1.1857755889275334
Energy: 0.8752792229526029
Energy: 0.818637806905171
Energy: 0.875279222951235
Energy: 1.1857755889275334
Energy: 0.875279222951235
Energy: 1.242847404080277
Energy: 0.969676101921602
Energy: 0.8257611561999825
Energy: 0.969676101921602
Energy: 1.242847404080277
Energy: 0.969676101921602
Energy: 0.8634139005186448
Energy: 0.8775334291732452
Energy: 0.8159526759231714
Energy: 0.8775334291746131
Energy: 0.8634139005186448
Energy: 0.8775334291746131
Energy: 0.5310047576468809
Energy: 0.9784152812093223
Energy: 0.8198361793537208
Energy: 0.9784152812093223
Energy: 0.5309930148924474
Energy: 0.9784152812106903
Energy: 0.5287327725058832
Energy: 0.9836921307619111
Energy: 0.8189746294345511
Energy: 0.9836921307605433
Energy: 0.5287327725072513
Energy: 0.9836921307605433
Energy: 0.6409576910971005
Energy: 0.876621254289124
Energy: 0.8184862386240295
Energy: 0.876621254289124
Energy: 0.6409576896299919
Energy: 0.8766212542904918
Energy: 1.23896651186059
Energy: 0.9802902648969128
Energy: 0.8246904493764076
Energy: 0.9802902648982807
Energy: 1.2389665118592224
Energy: 0.9802902648982807
Energy: 1.186167278663746
Energy: 0.8726668343664339
Energy: 0.8202642144473241
Energy: 0.872666834365066
Energy: 1.186167278663746
Energy: 0.872666834365066

minimum gb energy = 0.5287327725058832 eV
minimum distance =  2.45888576591749 Angstroms
sigma value = 19


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

Energy: 1.8977445535055446
Energy: 1.0467665950553326
Energy: 0.8659650701132641
Energy: 1.046766595056144
Energy: 1.8977445535063562
Energy: 1.046766595056144
Energy: 0.9078237747564253
Energy: 0.964763306859935
Energy: 1.6284263113270505
Energy: 0.9647633068591236
Energy: 0.9078237747564253
Energy: 0.9647633068591236
Energy: 1.524596315331584
Energy: 1.0594476349902073
Energy: 1.665495642566285
Energy: 1.059447634991019
Energy: 1.5245963153299613
Energy: 1.0594476349902073
Energy: 1.530475025439006
Energy: 0.8964262273754292
Energy: 1.6851983213463593
Energy: 0.8964262273754292
Energy: 1.5303548007213104
Energy: 0.8964262273762406
Energy: 1.5326085535402587
Energy: 1.0496249381143212
Energy: 1.5537856669174466
Energy: 1.0496249381151328
Energy: 1.5326085535402587
Energy: 1.0496249381143212
Energy: 1.2031978327258652
Energy: 1.0495564015027465
Energy: 1.532855421555472
Energy: 1.0495564015035581
Energy: 1.2031978327258652
Energy: 1.0495564015035581
Energy: 1.6854280394124568
Energy: 0.8964049016856556
Energy: 1.530325829444758
Energy: 0.8964049016856556
Energy: 1.6854280394108339
Energy: 0.8964049016856556
Energy: 1.6655913777797808
Energy: 1.05933381540686
Energy: 1.5245924819338252
Energy: 1.05933381540686
Energy: 1.6655913777797808
Energy: 1.05933381540686
Energy: 1.6283864046435015
Energy: 0.9649584156017929
Energy: 1.548199379704596
Energy: 0.9649584156017929
Energy: 1.6283864046435015
Energy: 0.9649584156017929
Energy: 0.9067545935380051
Energy: 1.0467665950553326
Energy: 1.8977445535063562
Energy: 1.0467665950553326
Energy: 0.9067545935388166
Energy: 1.0467665950553326
Energy: 1.628426311326239
Energy: 0.9647633068607463
Energy: 1.5399363843836427
Energy: 0.964763306859935
Energy: 1.6284263113270505
Energy: 0.964763306859935
Energy: 1.665495642566285
Energy: 1.0594476349918303
Energy: 1.5245963153307729
Energy: 1.059447634991019
Energy: 1.6654956425679077
Energy: 1.0594476349918303
Energy: 1.6851983213463593
Energy: 0.8964262273746177
Energy: 1.5303422121977104
Energy: 0.8964262273746177
Energy: 1.685198321345548
Energy: 0.8964262273746177
Energy: 0.8984003891851926
Energy: 1.0496249381151328
Energy: 1.5326085535394474
Energy: 1.0496249381143212
Energy: 1.5536090807216933
Energy: 1.0496249381151328
Energy: 1.532855421553038
Energy: 1.0495564015027465
Energy: 1.6958552578463235
Energy: 1.049556401501935
Energy: 1.5328554215546606
Energy: 1.0495564015011238
Energy: 0.9049739182344712
Energy: 0.8964049016856556
Energy: 1.6854280394108339
Energy: 0.8964049016864669
Energy: 0.9049739182336597
Energy: 0.8964049016864669
Energy: 1.5245924819346366
Energy: 1.0593338154060485
Energy: 1.6655913777805922
Energy: 1.05933381540686
Energy: 1.5245924819346366
Energy: 1.05933381540686
Energy: 1.5482455941764657
Energy: 0.9649584156026043
Energy: 1.6283864046451242
Energy: 0.9649584156026043
Energy: 1.5481995134160442
Energy: 0.9649584156017929
Energy: 1.897744553507979
Energy: 1.0467665950553326
Energy: 0.9067545935388166
Energy: 1.046766595056144
Energy: 1.8977445535071675
Energy: 1.046766595056144
Energy: 1.539936677552303
Energy: 0.9647633068591236
Energy: 1.6284263113270505
Energy: 0.964763306859935
Energy: 1.539936350869818
Energy: 0.964763306859935
Energy: 1.524596315331584
Energy: 1.0594476349902073
Energy: 1.665495642566285
Energy: 1.059447634991019
Energy: 1.5245963153307729
Energy: 1.0594476349902073
Energy: 1.5304856849436306
Energy: 0.8964262273762406
Energy: 1.685198321345548
Energy: 0.8964262273762406
Energy: 1.530489209209847
Energy: 0.8964262273754292
Energy: 1.5326085535386358
Energy: 1.0496249381143212
Energy: 1.5537804944130293
Energy: 1.0496249381143212
Energy: 1.5326085535402587
Energy: 1.0496249381143212
Energy: 1.695855258871492
Energy: 1.0495564015027465
Energy: 1.5328554215546606
Energy: 1.0495564015027465
Energy: 1.695855257744124
Energy: 1.049556401501935
Energy: 1.6854280394108339
Energy: 0.8964049016856556
Energy: 1.602354289685972
Energy: 0.8964049016856556
Energy: 1.6854280394116452
Energy: 0.8964049016856556
Energy: 1.6655913777797808
Energy: 1.05933381540686
Energy: 1.5245924819354482
Energy: 1.05933381540686
Energy: 1.6655913777797808
Energy: 1.05933381540686
Energy: 1.62838640464269
Energy: 0.9649584156026043
Energy: 1.5482301767975861
Energy: 0.9649584156017929
Energy: 1.62838640464269
Energy: 0.9649584156017929
Energy: 1.6291177479134227
Energy: 1.0467665950553326
Energy: 1.8977445535071675
Energy: 1.046766595056144
Energy: 1.62911774803753
Energy: 1.0467665950553326
Energy: 1.628426311326239
Energy: 0.9647633068607463
Energy: 1.5399363798548065
Energy: 0.9647633068607463
Energy: 1.6284263113254276
Energy: 0.964763306859935
Energy: 1.6654956425670966
Energy: 1.0594476349902073
Energy: 1.5245963153307729
Energy: 1.059447634991019
Energy: 1.665495642566285
Energy: 1.059447634991019

minimum gb energy = 0.8659650701132641 eV
minimum distance =  2.42980776518534 Angstroms
sigma value = 27


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

Energy: 1.4871742781134227
Energy: 0.2322944069432031
Energy: 0.6884983972033215
Energy: 0.2322944069432031
Energy: 1.4871742781114354
Energy: 0.2322944069432031
Energy: 1.4957581437896768
Energy: 0.4858211025835088
Energy: 1.498328050477472
Energy: 0.48582110258152134
Energy: 1.4957581436505958
Energy: 0.48582110258152134
Energy: 1.5009348973236458
Energy: 0.7898356012054841
Energy: 1.5596455694178153
Energy: 0.7898356012054841
Energy: 1.5009348973236458
Energy: 0.7898356012054841
Energy: 1.483923888710413
Energy: 0.23085624051492215
Energy: 1.5232601189431525
Energy: 0.23085624051492215
Energy: 1.483923888714388
Energy: 0.23085624051492215
Energy: 1.5257242919553002
Energy: 0.23190662256384664
Energy: 1.5033941299178601
Energy: 0.23190662256185912
Energy: 1.5257242919553002
Energy: 0.23190662256384664
Energy: 1.496920876305956
Energy: 0.7893680475965575
Energy: 1.52117081330135
Energy: 0.7893680475965575
Energy: 1.4969208759364583
Energy: 0.7893680475965575
Energy: 1.501539389596571
Energy: 0.6776511230027142
Energy: 1.4974762015676784
Energy: 0.6776511230027142
Energy: 1.501539389596571
Energy: 0.6776511230007266
Energy: 1.4839113865728124
Energy: 0.2314229464518507
Energy: 1.5003039111415954
Energy: 0.2314229464518507
Energy: 1.4839113886031534
Energy: 0.2314229464518507
Energy: 1.498624157696731
Energy: 0.4862760139135026
Energy: 1.5007171024080483
Energy: 0.4862760139135026
Energy: 1.4986123942899705
Energy: 0.4862760139135026
Energy: 1.4971800850708157
Energy: 0.7887489794074376
Energy: 1.4971829865240371
Energy: 0.7887489794074376
Energy: 1.4971800850708157
Energy: 0.7887489794074376
Energy: 1.4963379709757072
Energy: 0.4863090354799728
Energy: 1.4988297695464046
Energy: 0.4863090354799728
Energy: 1.4963382022679215
Energy: 0.4863090354799728
Energy: 1.499417299825199
Energy: 0.23154239480939856
Energy: 1.4840904680009617
Energy: 0.2315423948074111
Energy: 1.499476969886965
Energy: 0.2315423948074111

minimum gb energy = 0.23085624051492215 eV
minimum distance =  2.4766310686066 Angstroms
sigma value = 9


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

Energy: 1.373683499386111
Energy: 0.9992001332414456
Energy: 0.4574869374976206
Energy: 0.9992001332420042
Energy: 1.3736833314258017
Energy: 0.9992001332420042
Energy: 1.306575528220686
Energy: 0.5930802904894359
Energy: 1.3055179974886357
Energy: 0.5534030002713556
Energy: 1.3065755282218028
Energy: 0.6363502188632825
Energy: 1.3459719554358074
Energy: 0.8455158613358104
Energy: 1.363216157636963
Energy: 0.8455158613346935
Energy: 1.3459719554374827
Energy: 0.8455158613352519
Energy: 1.3222137577810984
Energy: 0.7889808803975071
Energy: 1.2967306894205524
Energy: 0.7889808803975071
Energy: 1.3222137577822153
Energy: 0.7889808803980656
Energy: 1.3392709381413088
Energy: 0.801587803965266
Energy: 1.3060867809734116
Energy: 0.8015878039663829
Energy: 1.3392709381446595
Energy: 0.8015878039663829
Energy: 1.2961188675948079
Energy: 0.7434140529451592
Energy: 1.293004161622273
Energy: 0.7373030506308358
Energy: 1.2961188675936912
Energy: 0.7434140529440422
Energy: 1.4647822837741995
Energy: 0.8074622088731398
Energy: 1.2825588500515348
Energy: 0.8074622088731398
Energy: 1.4647822837730826
Energy: 0.8074622088731398
Energy: 1.4403285063155933
Energy: 0.9091444919717472
Energy: 1.4181982352505618
Energy: 0.9091444919706304
Energy: 1.440328506594714
Energy: 0.9091444919711889
Energy: 1.3371511179005742
Energy: 0.6082289521578127
Energy: 1.3207611732644604
Energy: 0.6082289521578127
Energy: 1.337151117903925
Energy: 0.6082289521578127
Energy: 1.5762688312381752
Energy: 0.9968880815970935
Energy: 1.3397095933423702
Energy: 0.9968880815954183
Energy: 1.5762688312354338
Energy: 0.9968880815954183
Energy: 0.6953076347547928
Energy: 0.6995844513176168
Energy: 1.3315578789998732
Energy: 0.6995844513170584
Energy: 0.6953076347525589
Energy: 0.6995844513192923
Energy: 1.3621405260770358
Energy: 0.7561990363858856
Energy: 1.3377559179550225
Energy: 0.756199036386444
Energy: 1.3621405260759192
Energy: 0.756199036386444
Energy: 1.280867217049414
Energy: 0.9073184278849425
Energy: 1.2866920170506435
Energy: 0.9073184278860594
Energy: 1.2808672170482969
Energy: 0.907318427885501
Energy: 1.4028046928635425
Energy: 0.845848135018572
Energy: 1.262222066856706
Energy: 0.845848135018572
Energy: 1.402804692864101
Energy: 0.8458481350174551
Energy: 1.3674678813187047
Energy: 0.698439880331705
Energy: 1.317489052740463
Energy: 0.698439880331705
Energy: 1.3674678813187047
Energy: 0.698439880331705
Energy: 1.303434686186164
Energy: 0.7658261068708371
Energy: 1.3385345667215809
Energy: 0.7658261068702786
Energy: 1.3034346861817474
Energy: 0.7658261068697202
Energy: 0.8316356521532049
Energy: 0.7913761792353885
Energy: 1.3403987032987934
Energy: 0.7913761792353885
Energy: 0.8366097644295887
Energy: 0.7913761792348301
Energy: 1.3186969899248266
Energy: 0.7026002987196804
Energy: 1.3178155860390353
Energy: 0.7026002987191221
Energy: 1.3186969899259435
Energy: 0.7026002987196804
Energy: 1.442537552584695
Energy: 0.7646818261302518
Energy: 1.296516330016329
Energy: 0.7646818261319271
Energy: 1.442537552585812
Energy: 0.7646818261319271
Energy: 1.2820727493454804
Energy: 0.7910280477112535
Energy: 1.2821682179589096
Energy: 0.7910280477140456
Energy: 1.282072749346039
Energy: 0.8265697891373216
Energy: 1.296588285918205
Energy: 0.764817575898633
Energy: 1.4415992440572563
Energy: 0.7648175758980745
Energy: 1.2965882859198805
Energy: 0.764817575898633
Energy: 1.3182523220876918
Energy: 0.7025853249407569
Energy: 1.319115278604335
Energy: 0.7025853249418738
Energy: 1.3182523220882503
Energy: 0.7025853249429906
Energy: 1.3404590336214934
Energy: 0.7913126628842606
Energy: 0.8601422179837764
Energy: 0.7913126628842606
Energy: 1.3404590336187012
Energy: 0.7913126628842606
Energy: 1.338784118229786
Energy: 0.7658014144523121
Energy: 1.3034449947426094
Energy: 0.7658014144517536
Energy: 1.3387841182314615
Energy: 0.7658014144523121
Energy: 1.3170599316502998
Energy: 0.6984228928798072
Energy: 1.367477499617423
Energy: 0.6984228928792489
Energy: 1.3170599316514167
Energy: 0.6984228928798072
Energy: 1.262163361896889
Energy: 0.8457583160785231
Energy: 1.4055018880966597
Energy: 0.8457583160790816
Energy: 1.2621633619013568
Energy: 0.8457583160785231
Energy: 1.2868371882082201
Energy: 0.9073349260656886
Energy: 1.2808418806365465
Energy: 0.9073349260656886
Energy: 1.2868371882082201
Energy: 0.9073349260656886
Energy: 1.3377160330946003
Energy: 0.7560471987281454
Energy: 1.3621705291452995
Energy: 0.756047198727587
Energy: 1.3377160330940416
Energy: 0.7560471987264701
Energy: 1.3314307153708207
Energy: 0.6990888903526374
Energy: 1.3855277095612655
Energy: 0.699088890352079
Energy: 1.3314307153691456
Energy: 0.6990888903537543
Energy: 1.3728667554335976
Energy: 0.9968950723872498
Energy: 1.5761933381842053
Energy: 0.996895072386133
Energy: 1.3728667554313638
Energy: 0.9968950723855744
Energy: 1.3352541804791904
Energy: 0.608228952154462
Energy: 1.3372157297189697
Energy: 0.6082289521555789
Energy: 1.3352541804791904
Energy: 0.6082289521555789
Energy: 1.418181205765853
Energy: 0.9092004058696838
Energy: 1.440354581884771
Energy: 0.9092004058691253
Energy: 1.4181812057652947
Energy: 0.9092004058696838
Energy: 1.2827910626398191
Energy: 0.8056037874049615
Energy: 1.525650954957867
Energy: 0.8056037874060783
Energy: 1.2827910626420527
Energy: 0.8056037874066367
Energy: 1.2928637294590366
Energy: 0.8892974049135912
Energy: 1.2964198521379655
Energy: 0.8892974049130328
Energy: 1.2928637294540106
Energy: 0.8892974049130328
Energy: 1.2993601933689043
Energy: 0.8011790730173429
Energy: 1.3398898729500832
Energy: 0.8011790730173429
Energy: 1.2993601933666707
Energy: 0.8011790730173429
Energy: 1.2968355083720065
Energy: 0.788927732288478
Energy: 1.3221649416483208
Energy: 0.7889277322879196
Energy: 1.2968355083692142
Energy: 0.7889277322879196
Energy: 1.3633882650467286
Energy: 0.84610861509465
Energy: 1.3460019177758376
Energy: 0.8461086150952084
Energy: 1.3633882650467286
Energy: 0.8461086150952084
Energy: 1.305801464544211
Energy: 0.5534030002747063
Energy: 1.3069162465170048
Energy: 0.5534030002758232
Energy: 1.3058014645397436
Energy: 0.5534030002752648
Energy: 1.3967562142223873
Energy: 0.9992001332414456
Energy: 1.3736837997635023
Energy: 0.9992001332408871
Energy: 1.3967558189241736
Energy: 0.9992001332408871
Energy: 1.305517997490311
Energy: 0.6363502188621655
Energy: 1.3065755282218028
Energy: 0.6363502188638409
Energy: 1.3055179974891942
Energy: 0.6363502188627239
Energy: 1.3632161576352877
Energy: 0.8455158613346935
Energy: 1.345971955436366
Energy: 0.8455158613346935
Energy: 1.3632161576302615
Energy: 0.8455158613358104
Energy: 1.2967306894216692
Energy: 0.7889808803958318
Energy: 1.322213757781657
Energy: 0.7889808803975071
Energy: 1.2967306894222277
Energy: 0.7889808803975071
Energy: 1.3060867809784378
Energy: 0.8015878039669412
Energy: 1.3392709381435426
Energy: 0.8015878039674997
Energy: 1.3060867809656442
Energy: 0.8015878039680582

minimum gb energy = 0.4574869374976206 eV
minimum distance =  2.44138402088399 Angstroms
sigma value = 57


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

Energy: 0.988869855172769
Energy: 1.0281223859079005
Energy: 0.37526171701523325
Energy: 1.0281223859079005
Energy: 0.988869855172769
Energy: 1.0281223859079005
Energy: 0.7087824280648796
Energy: 0.8428753221381453
Energy: 0.7076451286802924
Energy: 0.8428753221394164
Energy: 0.7087824280636082
Energy: 0.8428753221381453
Energy: 0.7179403414681749
Energy: 0.9950400500864458
Energy: 0.7073832387516723
Energy: 0.9950400500864458
Energy: 0.7179403414681749
Energy: 0.9950400500851746
Energy: 0.917143102739265
Energy: 1.0425124177700336
Energy: 0.7288024604955164
Energy: 1.0425124177713045
Energy: 0.917143102739265
Energy: 1.0425124177713045
Energy: 0.7053643896195763
Energy: 1.0626712649225682
Energy: 0.38253295337499205
Energy: 1.062671264921297
Energy: 0.7053643896195763
Energy: 1.062671264921297
Energy: 0.7240004115358342
Energy: 0.9647397639517707
Energy: 0.4019188827383047
Energy: 0.9647397639504994
Energy: 0.7240004115358342
Energy: 0.9647397639504994
Energy: 0.7243695492174596
Energy: 0.9647549680366976
Energy: 0.6867807148957578
Energy: 0.9647549680354264
Energy: 0.7243695492161885
Energy: 0.9647549680354264
Energy: 0.7053995714120184
Energy: 1.0432998959144106
Energy: 0.4667454246152765
Energy: 1.0432998959131392
Energy: 0.705399571410747
Energy: 1.0432998959131392
Energy: 0.7401039200410927
Energy: 0.8054421618901931
Energy: 0.7955712475394555
Energy: 0.8054421618889219
Energy: 0.7401039200410927
Energy: 0.8054421618889219
Energy: 0.7177906098589333
Energy: 0.9500045757618885
Energy: 0.7084411044295607
Energy: 0.9500045757631598
Energy: 0.7177906098576621
Energy: 0.9500045757631598
Energy: 0.7415937655658905
Energy: 0.8428753221394164
Energy: 0.7075325760696543
Energy: 0.8428753221394164
Energy: 0.7415937655658905
Energy: 0.8428753221394164
Energy: 0.98886985517404
Energy: 1.0281223859079005
Energy: 0.37526171701396205
Energy: 1.0281223859079005
Energy: 0.98886985517404
Energy: 1.0281223859079005
Energy: 0.7087824280661508
Energy: 0.8428753221394164
Energy: 0.7076451286815636
Energy: 0.8428753221394164
Energy: 0.7087824280648796
Energy: 0.8428753221381453
Energy: 0.7179403414681749
Energy: 0.9950400500864458
Energy: 0.7073832387504011
Energy: 0.9950400500864458
Energy: 0.7179403414681749
Energy: 0.9950400500864458
Energy: 0.9171431027405361
Energy: 1.0425124177713045
Energy: 0.7288024604942454
Energy: 1.0425124177713045
Energy: 0.917143102739265
Energy: 1.0425124177713045
Energy: 0.7053643896195763
Energy: 1.0626712649225682
Energy: 0.7325949540393999
Energy: 1.0626712649225682
Energy: 0.7053643896195763
Energy: 1.062671264921297
Energy: 0.7240004115358342
Energy: 0.9647397639517707
Energy: 0.4019188827370334
Energy: 0.9647397639504994
Energy: 0.724000411534563
Energy: 0.9647397639504994
Energy: 0.7243695492174596
Energy: 0.9647549680379687
Energy: 0.686780714897029
Energy: 0.9647549680354264
Energy: 0.7243695492161885
Energy: 0.9647549680341551
Energy: 0.7053995714120184
Energy: 1.0432998959144106
Energy: 0.4667454246165477
Energy: 1.0432998959144106
Energy: 0.7053995714120184
Energy: 1.0432998959131392

minimum gb energy = 0.37526171701396205 eV
minimum distance =  2.44504274860916 Angstroms
sigma value = 11


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

Energy: 0.40915133725025987
Energy: 0.42498663315044044
Energy: 0.15139862561788006
Energy: 0.42498663315044044
Energy: 0.40915133724839753
Energy: 0.4249866331513717
Energy: 0.35871408848204733
Energy: 0.31642921855895995
Energy: 0.18862104589757173
Energy: 0.31642921855895995
Energy: 0.3587140884811161
Energy: 0.31642921855802875
Energy: 0.3701397814006278
Energy: 0.30407209665544355
Energy: 0.21662138861732402
Energy: 0.3040720966563747
Energy: 0.3701397814006278
Energy: 0.30407209665544355
Energy: 0.16482296221680595
Energy: 0.1896923729502339
Energy: 0.23028059970795148
Energy: 0.18969237295116512
Energy: 0.16482296221494355
Energy: 0.18969237295116512
Energy: 0.23148842145175377
Energy: 0.587048257053333
Energy: 0.22808004951475705
Energy: 0.587048257053333
Energy: 0.23148842145268494
Energy: 0.587048257053333
Energy: 0.2739882497144557
Energy: 0.5685489317188592
Energy: 0.2962490447595612
Energy: 0.5685489317225839
Energy: 0.2739882497144557
Energy: 0.5685489317207217
Energy: 0.21529632919296898
Energy: 0.7241940834283042
Energy: 0.296311914243575
Energy: 0.7241940834283042
Energy: 0.21529632919296898
Energy: 0.7241940834283042
Energy: 0.25783819239623473
Energy: 0.5960572926193809
Energy: -0.083277915879506
Energy: 0.5960572926212433
Energy: 0.25783819239530353
Energy: 0.5960572926212433
Energy: 0.25479226964944246
Energy: 0.6254596996917992
Energy: 0.28416317435536953
Energy: 0.6254596996917992
Energy: 0.25479226965316726
Energy: 0.6254596996917992
Energy: 0.21504941396514599
Energy: 0.38378005776354673
Energy: 0.0575601740635953
Energy: 0.3837800577663403
Energy: 0.21504941396514599
Energy: 0.38378005776354673
Energy: 0.2750647823828185
Energy: 0.5381439449368224
Energy: 0.29599542960839315
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Energy: 0.27506478238095616
Energy: 0.5381439449405472
Energy: 0.2304617643597009
Energy: 0.6580488068141093
Energy: 0.2316546963964717
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Energy: 0.5887049171846964
Energy: 0.21653583215526975
Energy: 0.5887049171865589
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Energy: 0.5887049171865589
Energy: 0.26456424048721106
Energy: 0.3174520246668326
Energy: -0.13155167990251385
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Energy: 0.26456424048814225
Energy: 0.3174520246705574
Energy: 0.33949957344475357
Energy: 0.43260758905678504
Energy: 0.2563868278633409
Energy: 0.43260758905771624
Energy: 0.3394995734456847
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Energy: 0.15180980919877704
Energy: 0.31631204646399774
Energy: 0.19343803061623596
Energy: 0.31631204646306654
Energy: 0.15180980909922384
Energy: 0.31631204646399774
Energy: 0.299211290831305
Energy: 0.7316630464255756
Energy: 0.251492653637509
Energy: 0.7316630464237132
Energy: 0.2992112908331674
Energy: 0.7316630464237132
Energy: 0.1572878273174925
Energy: 0.40944903867891186
Energy: 0.23214758462647914
Energy: 0.4094490386798431
Energy: 0.1572878273165613
Energy: 0.40944903867891186
Energy: 0.23144368356190528
Energy: 0.5862395381004754
Energy: 0.2759722936547095
Energy: 0.5862395381023376
Energy: 0.23144368356097414
Energy: 0.5862395381014064
Energy: 0.3267291464337473
Energy: 0.65695223777875
Energy: 0.2965754869522379
Energy: 0.6569522377815435
Energy: 0.3267291464328161
Energy: 0.6569522377815435
Energy: 0.21532212842453458
Energy: 0.7246825337446061
Energy: 0.29612678388043756
Energy: 0.7246825337446061
Energy: 0.2153221284236034
Energy: 0.724682533743675
Energy: 0.2627495544641954
Energy: 0.5949582320342118
Energy: -0.08335643998116245
Energy: 0.5949582320323494
Energy: 0.2627495544660578
Energy: 0.5949582320323494
Energy: -0.1282804347228992
Energy: 0.6278311043010627
Energy: 0.16608049487717008
Energy: 0.6278311043001314
Energy: -0.1282804347228992
Energy: 0.6278311043010627
Energy: 0.21502533370379523
Energy: 0.4828827723483925
Energy: 0.29246749910572045
Energy: 0.4828827723483925
Energy: 0.2150253337047264
Energy: 0.4828827723483925
Energy: 0.27500850517447933
Energy: 0.5796509945826767
Energy: 0.2956538350310081
Energy: 0.5796509945817454
Energy: 0.27500850517354813
Energy: 0.5796509945826767

minimum gb energy = -0.13155167990251385 eV
minimum distance =  2.43459568394046 Angstroms
sigma value = 41


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

Energy: 1.4781082262042424
Energy: 0.8200972412820712
Energy: 0.15369326676105027
Energy: 0.8200972412820712
Energy: 1.4781082262042424
Energy: 0.8200972412813372
Energy: 0.5714898528545517
Energy: 0.7505610940377839
Energy: 0.9341237458535414
Energy: 0.7505610940377839
Energy: 0.4196446139523693
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Energy: 0.9051410436418412
Energy: 0.8784850355700494
Energy: 0.9935060683637014
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Energy: 0.9051410436396394
Energy: 0.8784850355700494
Energy: 1.0133512855064009
Energy: 0.6851294070956185
Energy: 0.9344916652216482
Energy: 0.6851294070948846
Energy: 1.0133512855064009
Energy: 0.6851294070956185
Energy: 0.8978300857482748
Energy: 0.7480555131846036
Energy: 0.5379699973373305
Energy: 0.7480555131846036
Energy: 0.8978300857475409
Energy: 0.7480555131838698
Energy: 0.9676443867411783
Energy: 0.7283592509320421
Energy: 0.9348888984439012
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Energy: 0.9676443867404443
Energy: 0.7283592509313082
Energy: 0.8950943127065747
Energy: 0.8701716301138162
Energy: 0.9364622394831359
Energy: 0.8701716301138162
Energy: 0.8950943127065747
Energy: 0.8701716301145501
Energy: 0.9978052506879775
Energy: 0.8682808580637938
Energy: 0.9051229208316665
Energy: 0.8682808580630599
Energy: 0.9978052506894455
Energy: 0.8682808580637938
Energy: 0.9146770801826527
Energy: 0.8496828963761571
Energy: 0.9294033816771433
Energy: 0.8496828963761571
Energy: 0.9146770801833867
Energy: 0.8496828963754233
Energy: 1.0361848466010464
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Energy: 1.4752245168185243
Energy: 0.8779681892593092
Energy: 1.0361848466003127
Energy: 0.8779681892593092
Energy: 0.9396194666959564
Energy: 0.8767495725353539
Energy: 0.9059162704585422
Energy: 0.8767495725353539
Energy: 0.9396194666959564
Energy: 0.8767495725353539
Energy: 0.9717593801570464
Energy: 0.8684671839094528
Energy: 0.9052063154199919
Energy: 0.8322883366129814
Energy: 0.9717593801577804
Energy: 0.8684671839087188
Energy: 0.9149072281804057
Energy: 0.8794363637218916
Energy: 0.9296461756490555
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Energy: 0.9149072281796717
Energy: 0.8794363637226256
Energy: 0.9299978365012391
Energy: 0.8640465153788767
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Energy: 0.8640465153781428
Energy: 0.9299978364997712
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Energy: 0.9678906043697327
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Energy: 0.9678906043697327
Energy: 0.7279288077968897
Energy: 0.9294723610823005
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Energy: 0.9314712140293384
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Energy: 0.968675619923088
Energy: 0.745383348303273
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Energy: 0.9055747485917378
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Energy: 0.9296322031763521
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Energy: 0.9352305522776723
Energy: 0.7520671246479391
Energy: 0.9296327369702173
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Energy: 1.4750426485186787
Energy: 0.8781841779974048
Energy: 0.9402661938577256
Energy: 0.8781841779974048
Energy: 1.4750426485201467
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Energy: 0.9221851678311969
Energy: 0.7458071606029744
Energy: 0.9686365300274498
Energy: 0.7458071606029744
Energy: 0.9221851678253253
Energy: 0.7458071606029744
Energy: 0.9055466320202439
Energy: 0.8701160934605312
Energy: 0.9735977016048537
Energy: 0.8701160934605312
Energy: 0.9055466320217118
Energy: 0.8701160934605312
Energy: 0.970244589934569
Energy: 0.7938047607581761
Energy: 0.9358727779948692
Energy: 0.7938047607581761
Energy: 0.9702445899719667
Energy: 0.79380476075891
Energy: 0.9294729176776163
Energy: 0.8835011330283332
Energy: 0.9699570724070201
Energy: 0.8835011330283332
Energy: 0.9294729176768823
Energy: 0.8835011330283332
Energy: 0.9678630754988032
Energy: 0.729128490934151
Energy: 0.9364463646834054
Energy: 0.7291284909334171
Energy: 0.9678630754980693
Energy: 0.7291284909334171
Energy: 0.9298920633822788
Energy: 0.7929617862695176
Energy: 0.9376997299088773
Energy: 0.7929617862695176
Energy: 0.9298920633822788
Energy: 0.7929617862695176
Energy: 0.9981882961085766
Energy: 0.8685217497020403
Energy: 0.905488705063211
Energy: 0.8685217497020403
Energy: 0.9981882961078427
Energy: 0.8685217497020403
Energy: 0.9721487707084986
Energy: 0.8394275097699959
Energy: 0.9323059051709466
Energy: 0.8394275097707298
Energy: 0.9721487707077646
Energy: 0.8394275097707298
Energy: 1.0409848930979602
Energy: 0.8799274521333018
Energy: 1.4737055348951797
Energy: 0.8799274521333018
Energy: 1.0409848930979602
Energy: 0.8799274521333018
Energy: 0.9375122371485387
Energy: 0.7292771538636857
Energy: 0.9088747638738224
Energy: 0.7292771538629518
Energy: 0.9375122371492726
Energy: 0.7292771538629518
Energy: 0.9679944981076694
Energy: 0.8687104625369735
Energy: 0.905136847767457
Energy: 0.8687104625369735
Energy: 0.9679944981084033
Energy: 0.8687104625369735
Energy: 0.9719691632448672
Energy: 0.8769315644987347
Energy: 0.9298556037057314
Energy: 0.8769315644987347
Energy: 0.9719691632448672
Energy: 0.8769315644987347
Energy: 0.9349413708176486
Energy: 0.8639972545518825
Energy: 0.9371599265554674
Energy: 0.8639972545511485
Energy: 0.9349413708176486
Energy: 0.8639972545518825

minimum gb energy = 0.15369326676105027 eV
minimum distance =  2.47918256947878 Angstroms
sigma value = 33


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

Energy: 0.8725836407006121
Energy: 0.4770340191553497
Energy: -0.3211911815876507
Energy: 0.47703401915741006
Energy: 0.8725836407016423
Energy: 0.477034019156895
Energy: 0.6963433336154161
Energy: 0.27880613541801724
Energy: 0.4579182291148012
Energy: 0.27880613541801724
Energy: 1.0480512140373426
Energy: 0.27880613541853233
Energy: 0.8686959635931065
Energy: 0.3930353613604163
Energy: 0.5190315625631815
Energy: 0.39303536136144646
Energy: 0.8686959635931065
Energy: 0.3930353613593861
Energy: 1.2969427548416745
Energy: 0.20699178788574726
Energy: 0.45787185497488825
Energy: 0.20699178788523215
Energy: 1.2969427548411594
Energy: 0.20699178788523215
Energy: 0.5041396754050698
Energy: 0.4134301866229225
Energy: 0.49068879933175785
Energy: 0.4134301866224075
Energy: 0.5041396754040397
Energy: 0.4134301866213773
Energy: 0.8558787487601237
Energy: 0.3244160722875033
Energy: 0.46003395965550564
Energy: 0.3244160722880184
Energy: 0.8558735702803961
Energy: 0.32441607228698816
Energy: 0.44289311491353384
Energy: 0.3649006276591504
Energy: 0.46195506973021844
Energy: 0.3649006276596655
Energy: 0.44289311491301875
Energy: 0.3649006276601806
Energy: 0.2633640103120413
Energy: 0.3054711293140818
Energy: 0.4444304325347919
Energy: 0.30547112931253656
Energy: 0.422237211660103
Energy: 0.3054711293145969
Energy: 0.4463195251454043
Energy: 0.4548465049547355
Energy: 0.027426182961726706
Energy: 0.4548465049547355
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Energy: 0.6918219706887764
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Energy: 0.3529173338205569
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Energy: 0.3966817029023223
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Energy: 0.6682734961305072
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Energy: 0.37167916375687643
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Energy: 1.109985061196928
Energy: 0.3593250422715544
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Energy: 0.44393484306947095
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Energy: 0.4986779847099173
Energy: 0.3941267086501552
Energy: 0.44372238189968444
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Energy: 0.4986779847124927
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Energy: 0.46172954575432795
Energy: 0.32740737832040157
Energy: 1.294048827422153
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Energy: 0.46172954575381286
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Energy: 0.4117576362997304
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Energy: 0.4117576363007605
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Energy: 1.1419155190403902
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Energy: 0.6595474072164093
Energy: 0.3365596872785067
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Energy: 0.8353189058974922
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Energy: 0.6980301506813446
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Energy: 0.4619030597598258
Energy: 0.2505333366441893
Energy: 1.0415329671143563
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Energy: 0.4619030597598258
Energy: 0.2505333366447044
Energy: 0.48755297164534545
Energy: 0.3997718258180353
Energy: 0.8283067806963248
Energy: 0.3997718258206107
Energy: 0.4875529716438002
Energy: 0.3997718258200956
Energy: 0.6563315482423577
Energy: 0.41117578952823713
Energy: 1.0911154933367808
Energy: 0.41117578952617684
Energy: 0.6563315482418426
Energy: 0.41117578952514655
Energy: 0.46121865279918345
Energy: 0.3721332297141724
Energy: 0.44384486030115333
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Energy: 0.46121865280021357
Energy: 0.372133229713189
Energy: 0.461858750494817
Energy: 0.3593250422653734
Energy: 1.1105373174761974
Energy: 0.35932504226640355
Energy: 0.46185875049275665
Energy: 0.3593250422648583
Energy: 0.46021134498207156
Energy: 0.3716753172648048
Energy: 0.4459076792892146
Energy: 0.3716753172653198
Energy: 0.4602113449825866
Energy: 0.3716753172648048

minimum gb energy = -0.3211911815876507 eV
minimum distance =  2.49533414640207 Angstroms
sigma value = 67


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

Energy: -0.7927608284294548
Energy: -0.48761714551332236
Energy: 0.894273494082111
Energy: -0.4876171455126572
Energy: -0.7925125997638177
Energy: -0.48761714551332236
Energy: -0.4964395601724574
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Energy: -0.7925079414810847
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Energy: -0.2081103356088109
Energy: -0.1274658444989421
Energy: -0.20811550101652657
Energy: -0.49643956017144025
Energy: -0.20810111493354666
Energy: -0.7927479165682304
Energy: -0.48761714551437857
Energy: 0.8909333589127435
Energy: -0.48761714551504354
Energy: -0.7925303654486622
Energy: -0.4876171455140264

minimum gb energy = -0.7927859466155107 eV
minimum distance =  2.59124082497692 Angstroms
sigma value = 3


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

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Energy: 0.2619992025062302
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Energy: 0.3013650970640194
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Energy: 0.2555640842350925
Energy: 0.30693533800387734
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Energy: 0.9433785662337903
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Energy: 0.3069353380029404
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Energy: 0.30434819129757823
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Energy: 0.4349482266391985
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Energy: 0.30434819129570434
Energy: 0.1819765254538701
Energy: 0.3012630264081429
Energy: 0.07874524152030096
Energy: 0.910148689961083
Energy: 0.0787452415174902
Energy: 0.3012630264081429
Energy: 0.07874524152123788
Energy: 0.3073304488402035
Energy: 0.21825930196882312
Energy: 0.5018536677683767
Energy: 0.21825930196694926
Energy: 0.30733044883977767
Energy: 0.21825930196788618
Energy: 0.3075760898371825
Energy: 0.07679698919909567
Energy: 0.5958942054638265
Energy: 0.07679698920003258
Energy: 0.30757608983581974
Energy: 0.07679698920096951
Energy: 0.5536435700222453
Energy: 0.19996546055602946
Energy: 0.46041300237837907
Energy: 0.1999654605569664
Energy: 0.553643570024545
Energy: 0.19996546055739228

minimum gb energy = -0.4900665865632064 eV
minimum distance =  2.50081625378776 Angstroms
sigma value = 81


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

Energy: 0.7278620447657917
Energy: 0.6683503592425202
Energy: 0.2706904545531475
Energy: 0.6683503592418771
Energy: 0.7278620447670777
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Energy: 0.08009915034114388
Energy: -0.11890631476461241
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Energy: 0.08009951183415098
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Energy: 0.5695932932018016
Energy: 0.322084309871176
Energy: 0.5343408166617207
Energy: 0.17727505810794308
Energy: 0.5343408166636496
Energy: 0.3220843098705331
Energy: 0.5343408166636496
Energy: 0.3739748530360495
Energy: 0.5035379048616921
Energy: 0.26467880660205767
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Energy: 0.3739748530347635
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Energy: 0.5688366002033036
Energy: 0.3188113139771215
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Energy: 0.3485449252531295
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Energy: -0.07218585384114432
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Energy: -0.07218585383921543
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Energy: 0.3146536141193142
Energy: 0.5541738451111721
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Energy: 0.009984573349499464
Energy: 0.085363929174763
Energy: 0.3517153074987822
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Energy: 0.3182987903245215
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Energy: 0.3168719074774057
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Energy: 0.027423348263830402
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Energy: 0.3172684657367554
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Energy: 0.08536392917353552
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Energy: 0.4945263101619549
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Energy: 0.4945263101587402
Energy: 0.31281695052359065
Energy: 0.49452631015938303
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Energy: 0.32064673593059284
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Energy: -0.08273859984772251
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Energy: 0.1663551972437023
Energy: 0.5358832008000528
Energy: 0.6035523936772598
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Energy: 0.1663551972437023
Energy: 0.53588320079941
Energy: 0.16780694861851447
Energy: -0.10413112021323909
Energy: 0.2873879117989911
Energy: -0.10413112021195317
Energy: 0.16780694861915743
Energy: -0.10413112021195317
Energy: 0.24753416359699001
Energy: 0.6319624931613841
Energy: 0.3774066700521277
Energy: 0.6319624931626701
Energy: 0.24753416359506114
Energy: 0.631962493163313
Energy: 0.17415055766533505
Energy: 0.6456214441133449
Energy: 0.6038960275197167
Energy: 0.6456214441146308
Energy: 0.174150557665978
Energy: 0.6456214441139879
Energy: 0.02634810532469049
Energy: 0.4889904341070828
Energy: 0.3471673736985013
Energy: 0.4889904341070828
Energy: 0.026348105326619367
Energy: 0.4889904341083687
Energy: 0.3467977948873677
Energy: 0.5404107671146979
Energy: 0.05846524380877662
Energy: 0.5404107671114833
Energy: 0.3467977948867248
Energy: 0.5404107671121262

minimum gb energy = -0.11890631476654127 eV
minimum distance =  2.42393306369708 Angstroms
sigma value = 43


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

Energy: 1.200235319626684
Energy: 0.8901598864579173
Energy: 1.0908283601800899
Energy: 0.8901598864571276
Energy: 1.2002353196243147
Energy: 0.8901598864579173
Energy: 0.9412337772355156
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Energy: 1.0908740769130418
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Energy: 0.9435687967106631
Energy: 0.664514738739064
Energy: 0.9482550142648126
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Energy: 0.9571201313696118
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Energy: 0.9571201313704015
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Energy: 0.9505256981651797
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Energy: 0.7545801626806653
Energy: 0.9450988835788942
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Energy: 0.9871225691364682
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Energy: 0.9871225691356788
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Energy: 0.9469965089339698
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Energy: 0.6354642036313253
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Energy: 0.9469965089339698
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Energy: 0.9454053823604499
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Energy: 0.9494582292042344
Energy: 0.7419391420693385
Energy: 0.9389797824264663
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Energy: 1.0196901390328477
Energy: 0.8671537684569278
Energy: 0.9693898012617558
Energy: 0.8671537684577175
Energy: 1.0196901390328477
Energy: 0.8671537684569278
Energy: 0.9421434052285359
Energy: 0.7203434164748138
Energy: 0.6191163756586641
Energy: 0.7203434164748138
Energy: 0.9421434052285359
Energy: 0.7203434164748138
Energy: 1.024212559382833
Energy: 0.8565750246194577
Energy: 0.951466979343549
Energy: 0.8565750246194577
Energy: 1.024212559382833
Energy: 0.8565750246194577
Energy: 0.9314416346251979
Energy: 0.6174346003477531
Energy: 0.9541270082808889
Energy: 0.6174346003477531
Energy: 0.9314416346244082
Energy: 0.6174346003477531
Energy: 0.9409343561932495
Energy: 0.754116827203619
Energy: 0.9507565294427122
Energy: 0.7541168272044088
Energy: 0.9409343561940392
Energy: 0.754116827203619
Energy: 0.9374177522253151
Energy: 0.8034077742909697
Energy: 0.9519249763034987
Energy: 0.8034077742901798
Energy: 0.9374177522418999
Energy: 0.8034077742901798
Energy: 0.9789069687834722
Energy: 0.7888038323737946
Energy: 0.9366213357038149
Energy: 0.7888038323737946
Energy: 0.9789072081900381
Energy: 0.7888038323745844
Energy: 0.9753644154411345
Energy: 0.866401753654017
Energy: 0.9365851141687538
Energy: 0.8664017536532271
Energy: 0.9753644141591385
Energy: 0.866401753654017
Energy: 0.9406937691385117
Energy: 0.840894380229107
Energy: 1.0250952279604284
Energy: 0.840894380229107
Energy: 0.9406937691385117
Energy: 0.840894380229107
Energy: 0.9376704723731466
Energy: 0.8720671392141015
Energy: 0.9520851957112483
Energy: 0.8720671392133117
Energy: 0.9376704723802545
Energy: 0.8720671392141015
Energy: 1.0206269875443974
Energy: 0.6178143904305391
Energy: 0.9519165559423839
Energy: 0.6178143904297494
Energy: 1.0206269875428178
Energy: 0.6178143904297494
Energy: 1.0231891769897132
Energy: 0.8723404816915454
Energy: 0.9331865743326141
Energy: 0.8723404816923352
Energy: 1.0231891769889232
Energy: 0.8723404816915454
Energy: 0.9359732007093906
Energy: 0.7425670747334929
Energy: 1.026727628890735
Energy: 0.7425670747334929
Energy: 0.9359732007093906
Energy: 0.7425670747334929
Energy: 0.940456714687283
Energy: 0.9303172978923223
Energy: 0.9728717464860449
Energy: 0.9303172978923223
Energy: 0.9404567146849135
Energy: 0.9303172978923223
Energy: 0.944344332961681
Energy: 0.7420262220134358
Energy: 0.9400065264564168
Energy: 0.7420262220134358
Energy: 0.944344332961681
Energy: 0.7420262220134358
Energy: 0.9412848399227347
Energy: 0.8610843187468185
Energy: 0.9551983602353796
Energy: 0.8610843187468185
Energy: 0.9412848399227347
Energy: 0.8610843187468185
Energy: 0.9483720957492744
Energy: 0.7858590511204423
Energy: 0.9701816714785824
Energy: 0.7858590511204423
Energy: 0.9483720957492744
Energy: 0.7858590511204423
Energy: 0.9846787687324531
Energy: 0.735974067732519
Energy: 0.9685128572261994
Energy: 0.7359740677317294
Energy: 0.9846787687324531
Energy: 0.735974067732519
Energy: 0.9468488468312003
Energy: 0.7541547392928801
Energy: 0.940657159891329
Energy: 0.7541547392928801
Energy: 0.9468488468304107
Energy: 0.7541547392920904
Energy: 0.9529010041578266
Energy: 0.6171699833920465
Energy: 0.9491021319335193
Energy: 0.6171699833920465
Energy: 0.9529010041578266
Energy: 0.6171699833920465

minimum gb energy = 0.4145853964203901 eV
minimum distance =  2.50768845278367 Angstroms
sigma value = 57


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

Energy: 1.1568403849433657
Energy: 1.0135664026219529
Energy: 1.1972701945842164
Energy: 1.0135664026219529
Energy: 1.1568403849505235
Energy: 1.0135664026209303
Energy: 1.105929645105707
Energy: 1.0716042466903117
Energy: 1.1133344925680617
Energy: 1.0716042466903117
Energy: 1.1059296451046843
Energy: 1.071604246689289
Energy: 1.107329130456962
Energy: 0.9820385422164313
Energy: 1.2827459282795597
Energy: 0.9820385422154085
Energy: 1.107329130456962
Energy: 0.9820385422143862
Energy: 1.0965628277610826
Energy: 0.9494657686386494
Energy: 1.0968176596018846
Energy: 0.9494657686386494
Energy: 1.0965628277621051
Energy: 0.9494657686396721
Energy: 1.1099586884792987
Energy: 0.873036796299287
Energy: 1.098274302275691
Energy: 0.873036796299287
Energy: 1.109958688478276
Energy: 0.873036796299287
Energy: 1.283725153410972
Energy: 0.9548397154780686
Energy: 1.1083057339717948
Energy: 0.9548397154770459
Energy: 1.2837251534099492
Energy: 0.9548397154750009
Energy: 1.1007389533990093
Energy: 0.9837051839390354
Energy: 1.0948370481839196
Energy: 0.9837051839400579
Energy: 1.100738953400032
Energy: 0.9837051839400579
Energy: 1.1004024761073075
Energy: 0.9950896069216676
Energy: 1.1568648251437101
Energy: 0.9950896069216676
Energy: 1.1004024761073075
Energy: 0.9950896069216676
Energy: 1.1108636832843455
Energy: 1.066429367908543
Energy: 0.3798159772267095
Energy: 1.066429367908543
Energy: 1.110863683285368
Energy: 1.066429367908543
Energy: 1.1972809492007854
Energy: 0.9640508422046273
Energy: 1.107992928218383
Energy: 0.9640508422046273
Energy: 1.197280949201808
Energy: 0.9640508422046273
Energy: 1.1003041215259193
Energy: 0.9325947036226306
Energy: 1.1974605909448408
Energy: 0.932594703621608
Energy: 1.1003041215248963
Energy: 0.932594703621608
Energy: 1.2033668479208213
Energy: 0.9946918312872689
Energy: 1.1142990935206538
Energy: 0.9946918312882914
Energy: 1.2033668479228665
Energy: 0.9946918312882914
Energy: 1.0851834877711894
Energy: 0.9545148820184381
Energy: 0.41934683388895994
Energy: 0.9545148820184381
Energy: 1.0851834877487396
Energy: 0.9545148820163929
Energy: 1.085398737278348
Energy: 0.9679259613741458
Energy: 1.0976328217667943
Energy: 0.9679259613741458
Energy: 1.0853991379591335
Energy: 0.9679259613741458
Energy: 0.5395243786110185
Energy: 0.9944372530490774
Energy: 1.1006869721881098
Energy: 0.9944372530501
Energy: 0.21486050722351463
Energy: 0.9944372530490774
Energy: 1.1901528867412288
Energy: 1.0440527958508155
Energy: 1.1034094351999701
Energy: 1.0440527958497927
Energy: 1.1901528867616802
Energy: 1.0440527958508155
Energy: 1.0850657534029167
Energy: 0.9941758136075989
Energy: 1.1006366766215447
Energy: 0.9941758136075989
Energy: 1.0850657533967811
Energy: 0.9941758136075989
Energy: 1.0982587996347632
Energy: 0.9931548060389209
Energy: 1.0983819049118908
Energy: 0.9931548060368757
Energy: 1.0982587996357858
Energy: 0.9931548060378984
Energy: 1.1006066861800763
Energy: 0.9942808698317249
Energy: 1.0849494709005634
Energy: 0.99428086983377
Energy: 1.1006066861800763
Energy: 0.9942808698317249
Energy: 1.1011080819587478
Energy: 1.0440387874623174
Energy: 1.2034694014791694
Energy: 1.0440387874623174
Energy: 1.1011080819597703
Energy: 1.0440387874623174
Energy: 1.1006571214085796
Energy: 0.9943996743608277
Energy: 0.2151205819711825
Energy: 0.9943996743608277
Energy: 1.1006571214085796
Energy: 0.9943996743608277
Energy: 1.0979474687612825
Energy: 0.964567732371574
Energy: 0.21484051944098867
Energy: 0.9645677323725965
Energy: 1.0979474687612825
Energy: 0.964567732371574
Energy: 1.1913981696418119
Energy: 0.9548313323070277
Energy: 1.085214936347305
Energy: 0.9548313323070277
Energy: 1.1913981696418119
Energy: 0.9548313323080503
Energy: 1.1146191419954983
Energy: 0.9946897003467147
Energy: 1.2034797084599247
Energy: 0.9946897003456923
Energy: 1.1146191419944755
Energy: 0.9946897003456923

minimum gb energy = 0.21484051944098867 eV
minimum distance =  2.51600391547994 Angstroms
sigma value = 17


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

Energy: 0.8916047075134752
Energy: 0.8331260330859496
Energy: 0.9282184832379023
Energy: 0.8331260330845034
Energy: 0.8916047075134752
Energy: 0.8331260330845034
Energy: 0.5265670751957087
Energy: 0.541984097399776
Energy: 0.5139828541212808
Energy: 0.541984097399776
Energy: 0.5265670751957087
Energy: 0.541984097399776
Energy: 0.5277153284845508
Energy: 0.5457209712504125
Energy: 0.6001373124148403
Energy: 0.545720971243182
Energy: 0.5277153284845508
Energy: 0.545720971244628
Energy: 0.5163955820994321
Energy: 0.9159096482992247
Energy: 0.5249399221415881
Energy: 0.9159096482992247
Energy: 0.516395582097986
Energy: 0.9159096482992247
Energy: 0.5175159071216372
Energy: 0.5169419273699773
Energy: 0.517662050257183
Energy: 0.5169419273699773
Energy: 0.5175159071230834
Energy: 0.5169419273685313
Energy: 0.516296282359629
Energy: 0.4786140656276913
Energy: 0.48283419207034867
Energy: 0.4786140656276913
Energy: 0.5162962823581828
Energy: 0.4786140656276913
Energy: 0.5131135240878217
Energy: 0.3703195745978738
Energy: 0.5294427136516758
Energy: 0.3703195745978738
Energy: 0.5131135240878217
Energy: 0.3703195745978738
Energy: 0.6009384192582989
Energy: 1.1719219342510276
Energy: 0.5250091816125078
Energy: 1.1719219342510276
Energy: 0.6009384192582989
Energy: 1.1719219342510276
Energy: 0.5221497064499763
Energy: 0.7517279820049646
Energy: 0.5555967396604318
Energy: 0.7517279820035184
Energy: 0.5221497064485302
Energy: 0.7517279820035184
Energy: 0.6716928466273167
Energy: 0.565782546120389
Energy: 0.5137864078531131
Energy: 0.565782546120389
Energy: 0.6716928466273167
Energy: 0.565782546120389
Energy: 0.8806545597142156
Energy: 0.7645166257203095
Energy: 0.5151351584426277
Energy: 0.7645166257174173
Energy: 0.8806545597142156
Energy: 0.7645166257188634
Energy: 0.6017703308747304
Energy: 0.6544619164770243
Energy: 0.5135287352125434
Energy: 0.6544619164770243
Energy: 0.6017703308718382
Energy: 0.6544619164755783
Energy: 0.5228618738557901
Energy: 1.1699241181289979
Energy: 0.60179702848573
Energy: 1.169924118127552
Energy: 0.5228618738572361
Energy: 1.169924118127552
Energy: 0.5159377379995757
Energy: 1.0207583340252435
Energy: 0.5203369336890986
Energy: 1.0207583340252435
Energy: 0.5159377379995757
Energy: 1.0207583340252435
Energy: 0.5135089172982745
Energy: 0.9494954890922939
Energy: 0.4892489715180851
Energy: 0.94949548909374
Energy: 0.5135089172982745
Energy: 0.94949548909374
Energy: 0.5154502161294809
Energy: 0.839023262522173
Energy: 0.48560792574217765
Energy: 0.8390232625207269
Energy: 0.5154502161294809
Energy: 0.8390232625207269
Energy: 0.5159188578025267
Energy: 0.6539592940410566
Energy: 0.5177849758537966
Energy: 0.6539592940425026
Energy: 0.5159188578025267
Energy: 0.6539592940410566

minimum gb energy = 0.3703195745978738 eV
minimum distance =  2.45577861992655 Angstroms
sigma value = 17


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

Energy: 1.5833673146400313
Energy: 1.0796011593160857
Energy: 0.31211428700578714
Energy: 1.0796011593177608
Energy: 1.5833673146405896
Energy: 1.0796011593160857
Energy: 1.0795880971445733
Energy: 0.6448554355800404
Energy: 0.8181606846253917
Energy: 0.644855435579482
Energy: 1.0795880977820629
Energy: 0.6448554355789236
Energy: 0.9316790511604307
Energy: 0.8667279495188299
Energy: 0.8332566530267616
Energy: 0.8667279495188299
Energy: 0.9316790511598724
Energy: 0.8667279495182714
Energy: 0.7816930066327828
Energy: 1.039572640207115
Energy: 1.154354691035508
Energy: 1.0395726402076735
Energy: 0.7816930066327828
Energy: 1.039572640208232
Energy: 0.8199194684777447
Energy: 0.6651053498481294
Energy: 1.2805786551538274
Energy: 0.6651053498509217
Energy: 0.8199194684788615
Energy: 0.6651053498486879
Energy: 0.7884937755932483
Energy: 1.058611455415906
Energy: 1.2772717583014666
Energy: 1.0586114554164647
Energy: 0.7884937886762364
Energy: 1.0586114554164647
Energy: 0.8194492791735435
Energy: 0.9753191610692232
Energy: 1.130007080804139
Energy: 0.9753191610720154
Energy: 0.8194492791746605
Energy: 0.9753191610686649
Energy: 1.1038954764112567
Energy: 0.844400645917752
Energy: 0.8180143859444524
Energy: 0.844400645916635
Energy: 1.1038954764173994
Energy: 0.8444006459160766
Energy: 1.2795769189327704
Energy: 1.0966257759748448
Energy: 0.7813601157825492
Energy: 1.0966257759765201
Energy: 1.2795769189322117
Energy: 1.0966257759765201
Energy: 1.0884707304637413
Energy: 0.6527287277324696
Energy: 0.8206999885073859
Energy: 0.876153083828622
Energy: 1.0884707304626247
Energy: 0.6527287277302359
Energy: 1.1569858518333775
Energy: 0.9629367450639772
Energy: 1.2878781635154417
Energy: 0.9629367450645355
Energy: 1.1569858518333775
Energy: 0.9629367450639772
Energy: 0.7791027081898955
Energy: 1.080075173720418
Energy: 0.9369359662209723
Energy: 1.0800751737198593
Energy: 0.779102708189337
Energy: 1.0800751737209762
Energy: 0.8233619232560366
Energy: 0.9209952775772778
Energy: 1.1450377160887466
Energy: 0.9209952775783946
Energy: 0.8233619232560366
Energy: 0.9209952775783946
Energy: 0.7767916130357806
Energy: 1.0878115647084563
Energy: 1.5862017548864982
Energy: 1.0878115647084563
Energy: 0.776791613036339
Energy: 1.0878115647078976
Energy: 0.7743914258476818
Energy: 1.077846694710847
Energy: 1.1032512161679264
Energy: 1.0778466947102885
Energy: 0.7743914258476818
Energy: 1.0778466947119636
Energy: 1.1650018292580164
Energy: 1.0702872979445304
Energy: 0.9386953812822286
Energy: 1.0702872979462057
Energy: 1.1650018292585749
Energy: 0.8444270825379141
Energy: 1.1604051347568278
Energy: 0.8672066619396948
Energy: 0.78068787224377
Energy: 0.8672066619408116
Energy: 1.1604051347562692
Energy: 0.8672066619402532
Energy: 1.5117106512814142
Energy: 1.0504224219872154
Energy: 0.774328982915004
Energy: 1.0504224219860987
Energy: 1.5117106512791805
Energy: 1.0504224219860987
Energy: 1.5141847562928379
Energy: 0.962366370220268
Energy: 0.8279741912086155
Energy: 0.9623663702191512
Energy: 1.5141847562950717
Energy: 0.9623663702197095
Energy: 0.8215234778178836
Energy: 1.1069788348379306
Energy: 0.8214865901028409
Energy: 1.106978834836255
Energy: 0.821523477818442
Energy: 0.9104136677436439
Energy: 0.8279632538580829
Energy: 0.9625212660448409
Energy: 1.2957403636082614
Energy: 0.9625212660448409
Energy: 0.8279632538580829
Energy: 0.9625212660453994
Energy: 0.7743665346720452
Energy: 1.0504058449366167
Energy: 1.5117275816213778
Energy: 1.0504058449377338
Energy: 0.7743665346709284
Energy: 1.0504058449366167
Energy: 0.7757304939129667
Energy: 0.8672808449974876
Energy: 1.1603731705876226
Energy: 0.8672808449997215
Energy: 0.7757304939124081
Energy: 0.867280844998046
Energy: 0.9387383067083229
Energy: 0.9577292314118236
Energy: 1.165025079731513
Energy: 0.9577292314107068
Energy: 0.9387383067094398
Energy: 0.9577292314112651
Energy: 1.103292558007216
Energy: 1.077694323385197
Energy: 0.7792897015872229
Energy: 1.077694323385197
Energy: 1.103292558004982
Energy: 1.0776943233835217
Energy: 1.586365270943397
Energy: 1.0877963554603693
Energy: 0.7767975734683944
Energy: 1.0877963554603693
Energy: 1.5863652709428384
Energy: 1.0877963554598107
Energy: 1.1446961996597897
Energy: 0.9209451723991366
Energy: 0.8233935700691519
Energy: 0.9209451724007612
Energy: 1.1446961996592313
Energy: 0.9209451724013198
Energy: 0.9369801196118323
Energy: 1.0801537907191499
Energy: 0.7788370510210483
Energy: 1.0801537907202667
Energy: 0.9369801196123907
Energy: 1.0801537907202667
Energy: 1.2878870481002482
Energy: 0.962969029938366
Energy: 1.1570014765059737
Energy: 0.962969029938366
Energy: 1.2878870481002482
Energy: 0.9629690299378074
Energy: 0.8207085307629642
Energy: 0.6527287277347035
Energy: 1.087375749268798
Energy: 0.652728727734145
Energy: 0.8207085307635227
Energy: 0.6527287277330281
Energy: 0.781352623208679
Energy: 1.096611059067477
Energy: 1.2794108848878047
Energy: 1.0966110590658016
Energy: 0.781352623208679
Energy: 1.096611059067477
Energy: 0.8180195492079484
Energy: 0.8445244034771611
Energy: 1.1037857273690435
Energy: 0.8445244034771611
Energy: 0.818019549208507
Energy: 0.8445244034771611
Energy: 1.1301286167103926
Energy: 0.9754335700148814
Energy: 0.8194624107407934
Energy: 0.9754335700154397
Energy: 1.1301286167087172
Energy: 0.9754335700154397
Energy: 1.2772869171544399
Energy: 1.0586536117842262
Energy: 0.7885859334223176
Energy: 1.0586536117853431
Energy: 1.2772869171544399
Energy: 1.0586536117847847
Energy: 1.2805850977741282
Energy: 0.6651053498520386
Energy: 0.8199398867781869
Energy: 0.6651053498520386
Energy: 1.2805851101610912
Energy: 0.6651053498520386
Energy: 1.1540907367300908
Energy: 1.0394476932331378
Energy: 0.7816328568565677
Energy: 1.0394476932331378
Energy: 1.154090736730649
Energy: 1.0394476932336965
Energy: 0.8333358363545482
Energy: 0.8668282623349369
Energy: 0.9316586891876125
Energy: 0.8668282623366121
Energy: 0.8333358363539898
Energy: 0.8668282623349369
Energy: 0.8181723420139831
Energy: 0.6446440379898235
Energy: 1.0799377108519603
Energy: 0.6446440379914988
Energy: 0.8181723420139831
Energy: 0.6446440379937326
Energy: 1.035143295580379
Energy: 1.0796011593172026
Energy: 1.5833673146405896
Energy: 1.0796011593172026
Energy: 1.035143295575353
Energy: 1.0796011593183195
Energy: 0.8181606846242748
Energy: 0.6448554355817158
Energy: 1.0795880973394194
Energy: 0.6448554355783651
Energy: 0.8181606846259502
Energy: 0.644855435580599
Energy: 0.8332566530284369
Energy: 0.8667279495199467
Energy: 0.9316790511593138
Energy: 0.8667279495177129
Energy: 0.83325665302732
Energy: 0.8667279495210636
Energy: 1.154354691035508
Energy: 1.0395726402076735
Energy: 0.7816930066338997
Energy: 1.0395726402087904
Energy: 1.1543546910343911
Energy: 1.0395726402093486
Energy: 1.2805784561399327
Energy: 0.6651053498498047
Energy: 0.8199194684777447
Energy: 0.6651053498509217
Energy: 1.2805786412173326
Energy: 0.6651053498509217

minimum gb energy = 0.31211428700578714 eV
minimum distance =  2.45242247414443 Angstroms
sigma value = 57


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

Energy: 0.6478785818001296
Energy: 0.7610554750704909
Energy: 0.44370660061706824
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Energy: 0.32557676144638165
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Energy: 0.3589231477642729
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Energy: 0.3250454547753942
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Energy: 0.35892314776154505
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Energy: 0.015558870390780372
Energy: 0.411505152668925
Energy: 0.35479315904553343
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Energy: 0.015558870390780372
Energy: 0.41150515267165283
Energy: 0.015506225620024107
Energy: 0.20080883056972745
Energy: 0.3262985570483107
Energy: 0.20080883057518314
Energy: 0.015506225621842671
Energy: 0.2008088305770017
Energy: 0.015684758758765963
Energy: 0.27924832294844926
Energy: -0.2797665036451834
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Energy: 0.27924832295299573
Energy: 0.6491391515039641
Energy: 0.6945185309717103
Energy: -0.28064220283261737
Energy: 0.6945185309708011
Energy: 0.6491391515039641
Energy: 0.694518530967164
Energy: 0.39122964517327585
Energy: 0.5160227156766928
Energy: -0.28067099469623186
Energy: 0.5160227156757836
Energy: 0.3912296451714573
Energy: 0.5160227156748743
Energy: 0.015724306438595702
Energy: 0.278975517197736
Energy: -0.2800013991602762
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Energy: 0.015724306438595702
Energy: 0.27897551719682673
Energy: 0.014998800781166872
Energy: 0.20208349992570537
Energy: 0.3246892131681213
Energy: 0.20208349992843325
Energy: 0.014998800782076153
Energy: 0.20208349992752397

minimum gb energy = -0.2827650859915494 eV
minimum distance =  2.45148741158704 Angstroms
sigma value = 43


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

Energy: 1.4633285349402703
Energy: 1.2123048721991994
Energy: 1.2779889510375368
Energy: 1.2123048721991994
Energy: 1.4633285349409326
Energy: 1.2123048721991994
Energy: 1.2470747823527815
Energy: 0.6298528951939238
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Energy: 0.9799344556535093
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Energy: 1.2675668834558282
Energy: 1.326446715873439
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Energy: 1.0343173377757215
Energy: 0.6513296053655505
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Energy: 0.9676947156176878
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Energy: 1.0413670309898357
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Energy: 1.035093263458338
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Energy: 1.330720094725287
Energy: 1.0822223147569445
Energy: 1.0350932634609884
Energy: 1.0822223147562822
Energy: 0.9741856128897998
Energy: 1.0475208328362884
Energy: 1.3298205854477363
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Energy: 0.9741856128897998
Energy: 1.0475208328362884
Energy: 0.9707444729608394
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Energy: 1.3016446882671673
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Energy: 1.3019927716483366
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Energy: 1.3016038786514557
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Energy: 1.3019927716496615
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Energy: 0.9950733072013941
Energy: 1.1406431445220142
Energy: 1.3017204262643776
Energy: 1.1406431445226768
Energy: 1.329757459486915
Energy: 1.0477210595553874
Energy: 0.9742759488052233
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Energy: 1.3297574594875776
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Energy: 1.3300099378343637
Energy: 1.0815763086254584
Energy: 1.0350879141328615
Energy: 1.0815763086247958
Energy: 1.3300099378343637
Energy: 1.0815763086261208
Energy: 0.9675762891774705
Energy: 1.1759839765354052
Energy: 1.0416263374521944
Energy: 1.1759839765367301
Energy: 0.9675762891774705
Energy: 1.1759839765367301
Energy: 0.9703497268949404
Energy: 1.0868485856876369
Energy: 1.456078681879127
Energy: 1.0868485856889618
Energy: 0.9703497268942778
Energy: 1.0868485856889618
Energy: 1.038211846449656
Energy: 0.9719706014825019
Energy: 1.5430905006074374
Energy: 0.9719706014831645
Energy: 1.0382118464503185
Energy: 0.9719706014831645
Energy: 0.9700694234228794
Energy: 0.7865283395765448
Energy: 1.035200648651453
Energy: 0.7865283395745571
Energy: 0.970069423423542
Energy: 0.7865283395738947
Energy: 1.3288213711837322
Energy: 1.0795881472945483
Energy: 1.0403232217882985
Energy: 1.079588147295211
Energy: 1.3288213711830699
Energy: 1.0795881472965358

minimum gb energy = 0.6298528951932614 eV
minimum distance =  2.49035801859003 Angstroms
sigma value = 81


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

Energy: 1.1817300526212478
Energy: 1.8944762440717808
Energy: 0.5444066407944324
Energy: 1.8944762440717808
Energy: 1.1817300526224648
Energy: 1.8944762440722784
Energy: 1.5468687748989762
Energy: 1.551631413274824
Energy: 1.181519371414677
Energy: 1.551631413275543
Energy: 1.5468687748984784
Energy: 1.551631413275073
Energy: 1.1812914130463221
Energy: 1.5516528664446592
Energy: 1.5469333389302675
Energy: 1.5516528664441889
Energy: 1.1812914130463221
Energy: 1.551652866443691
Energy: 1.692271545933726
Energy: 1.894476244071532
Energy: 1.1817300526222159
Energy: 1.8944762440722784
Energy: 1.6922715459325088
Energy: 1.8944762440720297
Energy: 1.181519371414677
Energy: 1.5516314132752942
Energy: 1.5468687748984784
Energy: 1.551631413275073
Energy: 1.1815193714151746
Energy: 1.551631413274575
Energy: 1.5469333389305164
Energy: 1.5516528664441889
Energy: 1.181291413045354
Energy: 1.5516528664446592
Energy: 1.5469333389297972
Energy: 1.5516528664446592
Energy: 1.1817300526212478
Energy: 1.8944762440720297
Energy: 1.6922715459327577
Energy: 1.8944762440717808
Energy: 1.1817300526214691
Energy: 1.894476244071283
Energy: 1.5468687748992251
Energy: 1.551631413274824
Energy: 1.181519371414677
Energy: 1.5516314132757922
Energy: 1.5468687748989762
Energy: 1.551631413274575
Energy: 1.1812914130465713
Energy: 1.5516528664441889
Energy: 1.5469333389314848
Energy: 1.5516528664446592
Energy: 1.1812914130458243
Energy: 1.5516528664439402
Energy: 1.6922715459330069
Energy: 1.8944762440717808
Energy: 1.1817300526226862
Energy: 1.8944762440729979
Energy: 1.6922715459332558
Energy: 1.8944762440725003

minimum gb energy = 0.5444066407944324 eV
minimum distance =  2.5754852639165 Angstroms
sigma value = 3


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

Energy: 1.4018064861579822
Energy: 0.8770739322528156
Energy: 0.3035545938890661
Energy: 0.8770739322513589
Energy: 1.4018064861565254
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Energy: 0.8715195601756993
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Energy: 0.5606529167284415
Energy: 0.555169928012223
Energy: 1.0082343278454566
Energy: 0.5551699280129515
Energy: 1.3993352440208273
Energy: 0.8952591988241467
Energy: 0.5633504791354361
Energy: 0.8952591988241467
Energy: 1.3993352440208273
Energy: 0.8952591988248751
Energy: 0.8185848903270078
Energy: 0.5985832926141664
Energy: 0.5616756006458031
Energy: 0.5985832926127095
Energy: 0.8185848903277362
Energy: 0.5985832926119811

minimum gb energy = 0.19190514555689847 eV
minimum distance =  2.43419000935293 Angstroms
sigma value = 67


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

Energy: 1.1579031090321528
Energy: 0.4257623163870668
Energy: 0.8988095797234319
Energy: 0.42576231638499085
Energy: 1.157903109031115
Energy: 0.4257623163870668
Energy: 1.8297489309973354
Energy: 0.30757317099626286
Energy: 1.0422273422704638
Energy: 0.30757317099626286
Energy: 0.6524862725784428
Energy: 0.30757317099626286
Energy: 0.32008235381247013
Energy: 0.5208901105536591
Energy: 0.5714029704335345
Energy: 0.5208901105557349
Energy: 0.3200823538114794
Energy: 0.5208901105536591
Energy: 1.975698136960754
Energy: 0.7867675834437172
Energy: 1.0368189307971305
Energy: 0.7867675834416412
Energy: 1.9756981369617919
Energy: 0.7867675834426793
Energy: 1.0403119418466276
Energy: 1.0125728429193923
Energy: 1.4914083964038578
Energy: 1.0125728429183543
Energy: 1.0403119418455895
Energy: 1.0125728429173164
Energy: 1.0404155403702324
Energy: 0.9015379761882957
Energy: 1.0419520406365592
Energy: 0.9015379761872577
Energy: 1.040415540359853
Energy: 0.9015379761872577
Energy: 0.32009532459388146
Energy: 0.39096258139869927
Energy: 1.013270563197298
Energy: 0.39096258139869927
Energy: 0.3200953245949194
Energy: 0.39096258139869927
Energy: 1.0066456350483854
Energy: 0.8080879634392865
Energy: 1.6916778484919905
Energy: 0.8080879634403244
Energy: 1.0066456350504616
Energy: 0.8080879634403244
Energy: 1.0147193425582768
Energy: 0.5650092888402629
Energy: 1.6888504056305391
Energy: 0.5650092888402629
Energy: 1.0147193425593148
Energy: 0.5650092888402629
Energy: 1.0015790544553935
Energy: 0.39654740933867766
Energy: 1.002316083172423
Energy: 0.39654740933867766
Energy: 1.0015790544553935
Energy: 0.39654740933971566
Energy: 1.0339135563457345
Energy: 0.4755334426123168
Energy: 1.0151268157984636
Energy: 0.47553344261127894
Energy: 1.033913556354038
Energy: 0.47553344261127894
Energy: 1.0338111109829673
Energy: 0.5937535913591808
Energy: 1.0338143249741618
Energy: 0.5937535913602188
Energy: 1.0338111109871189
Energy: 0.5937535913591808
Energy: 1.0150851920271433
Energy: 0.4756824823103314
Energy: 1.0342744806397173
Energy: 0.4756824823092934
Energy: 1.0150851920302573
Energy: 0.47568248230825544
Energy: 1.0023176953455881
Energy: 0.396762560068906
Energy: 1.0023517220233924
Energy: 0.3967625600709818
Energy: 1.0023176953435122
Energy: 0.3967625600720198
Energy: 1.6889979482023039
Energy: 0.5650733474737492
Energy: 1.014675293437552
Energy: 0.5650733474737492
Energy: 1.6889977659116415
Energy: 0.5650733474737492
Energy: 1.691680399000803
Energy: 0.8080546601431855
Energy: 1.006898742971546
Energy: 0.8080546601421477
Energy: 1.691680399000803
Energy: 0.8080546601431855
Energy: 1.0133478028403144
Energy: 0.39181858749284404
Energy: 1.0045396460732188
Energy: 0.3918185874918061
Energy: 1.0133478028382386
Energy: 0.391818587493882
Energy: 1.0420800222469782
Energy: 0.9015024943827806
Energy: 1.0403339705533565
Energy: 0.9015024943827806
Energy: 1.0420800222469782
Energy: 0.9015024943838186
Energy: 1.4920676095604177
Energy: 1.0126108269147849
Energy: 1.0402948171448885
Energy: 1.0126108269127092
Energy: 1.4920676095614558
Energy: 1.0126108269147849
Energy: 1.0368149005774214
Energy: 0.7854301677229825
Energy: 1.9755605239571217
Energy: 0.7854301677281723
Energy: 1.0368149005763836
Energy: 0.7854301677229825
Energy: 0.6450149072428529
Energy: 0.5208901105557349
Energy: 1.0049386147474386
Energy: 0.5208901105578109
Energy: 0.5731544138029739
Energy: 0.5208901105588488
Energy: 1.041962484807676
Energy: 0.3075995975687088
Energy: 0.8065442449998317
Energy: 0.3075995975687088
Energy: 1.041962484808714
Energy: 0.30759959756767086
Energy: 1.5121661529034927
Energy: 0.42576231638602885
Energy: 1.1579031090321528
Energy: 0.4257623163870668
Energy: 1.5121661529024544
Energy: 0.42576231638499085

minimum gb energy = 0.30757317099626286 eV
minimum distance =  2.46591406797978 Angstroms
sigma value = 33


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

Energy: 1.2091845457299604
Energy: 0.609475643988326
Energy: 1.495467580692426
Energy: 0.609475643988326
Energy: 1.2091845457299604
Energy: 0.609475643988326
Energy: 1.5074513157878944
Energy: 1.0614604275117612
Energy: 0.6455995674346782
Energy: 1.0614604275117612
Energy: 1.507451315787236
Energy: 1.0614604275117612
Energy: 0.6480606820810834
Energy: 0.6362259535203619
Energy: 1.4620063659354585
Energy: 0.636225953519045
Energy: 0.6480606820810834
Energy: 0.636225953519045
Energy: 0.6330899901033389
Energy: 1.0620604381168735
Energy: 0.7266001433888357
Energy: 1.0620604381168735
Energy: 0.6330899901039974
Energy: 1.0620604381162153
Energy: 1.107871379635551
Energy: 0.7926100336767912
Energy: 1.0586613603520876
Energy: 0.7926100336748159
Energy: 1.107871379635551
Energy: 0.7926100336774495
Energy: 1.110478700089959
Energy: 0.5459946826071509
Energy: 0.648861992038839
Energy: 0.5459946826078094
Energy: 1.1104787000919347
Energy: 0.8926098978846976
Energy: 0.6479672277869025
Energy: 0.5986715565031191
Energy: 0.6188470025973222
Energy: 0.5986715564998268
Energy: 0.6479672277869025
Energy: 0.5986715565004853
Energy: 0.6187530790158581
Energy: 1.1107060171494687
Energy: 1.1085931669569054
Energy: 1.1107060171501273
Energy: 0.6187530790165164
Energy: 1.1107060171488103
Energy: 1.0612943483507624
Energy: 0.9180998790374998
Energy: 1.1097606729882916
Energy: 0.9180998790368413
Energy: 1.0612943483494455
Energy: 0.9180998790381582
Energy: 0.7223199997977077
Energy: 0.5685817604832885
Energy: 0.6466227441589171
Energy: 0.48419509388339804
Energy: 0.722319999798366
Energy: 0.5685817604852638
Energy: 0.6473578261562772
Energy: 1.0513260840829455
Energy: 0.6184362720939816
Energy: 1.0513260840842624
Energy: 0.6473578261575941
Energy: 1.051326084082287
Energy: 0.6477593976504243
Energy: 0.6636269102614045
Energy: 1.5710315970696997
Energy: 0.6636269102640384
Energy: 0.6477593976504243
Energy: 0.6636269102640384
Energy: 1.0549100707405883
Energy: 0.8286077763223197
Energy: 1.2067469867104494
Energy: 0.8286077763203443
Energy: 1.0549100707386128
Energy: 0.8286077763177107
Energy: 0.6456100251232195
Energy: 1.061819035340966
Energy: 0.6284126729089852
Energy: 1.061819035340966
Energy: 0.645610025123878
Energy: 1.0618190353403074
Energy: 1.058291319315878
Energy: 0.6375509773411838
Energy: 0.6481891497428727
Energy: 0.6375509773418423
Energy: 1.058291319315878
Energy: 0.6375509773411838
Energy: 0.7265324417820945
Energy: 1.0660675810392153
Energy: 1.1045142077980272
Energy: 1.0660675810411904
Energy: 0.726532441782753
Energy: 1.0660675810392153
Energy: 1.4964533843613066
Energy: 1.0088732777617166
Energy: 1.1112355283597775
Energy: 1.0088732777623752
Energy: 1.4964533843619647
Energy: 1.0088732777630336
Energy: 0.6481091841686742
Energy: 0.6198363625273864
Energy: 1.4507973070226932
Energy: 0.6198363625267279
Energy: 0.6481091841693328
Energy: 0.6198363625260696
Energy: 1.1975571940599974
Energy: 0.6195334730594119
Energy: 0.6481376355861278
Energy: 0.6195334730600702
Energy: 1.197557194061973
Energy: 0.6195334730600702
Energy: 1.108188324986735
Energy: 1.00745844207371
Energy: 0.6209615373651316
Energy: 1.007458442075027
Energy: 1.1081883249860767
Energy: 1.0074584420743686
Energy: 1.14083504363345
Energy: 0.8585845743882035
Energy: 0.7210495782710795
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Energy: 1.140835043634767
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Energy: 0.6477791330964464
Energy: 0.5973702085737795
Energy: 1.062678571118561
Energy: 0.5973702085737795
Energy: 0.6477791330951295
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Energy: 0.6197505903124613
Energy: 1.0614822332215148
Energy: 0.6468763695949877
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Energy: 0.6197505903124613
Energy: 1.0614822332208562
Energy: 1.2035663568640358
Energy: 0.5985474637979877
Energy: 0.6467773650457339
Energy: 0.5985474637953537
Energy: 1.2035663568633774
Energy: 0.5985474637966707
Energy: 1.570529576366669
Energy: 0.681913205605578
Energy: 0.6485607208227597
Energy: 0.681913205605578
Energy: 1.5705295763679858
Energy: 0.6819132056049196
Energy: 0.6187634458761317
Energy: 1.0212363485712366
Energy: 0.6477292493958684
Energy: 1.0212363485738705
Energy: 0.6187634458761317
Energy: 1.021236348571895
Energy: 0.6482542545576677
Energy: 0.5672773819318268
Energy: 1.0612357446560758
Energy: 0.5672773819338021
Energy: 0.6482542545583263
Energy: 0.5672773819324852
Energy: 1.1101478994278176
Energy: 0.857869874282004
Energy: 0.7223463268532414
Energy: 0.8578698742814054
Energy: 1.1101478994278176
Energy: 0.8578698742814054
Energy: 1.1077598683235639
Energy: 1.0161361681335181
Energy: 0.6195033601455961
Energy: 1.0161361681341767
Energy: 1.1077598683215888
Energy: 1.0161361681354937
Energy: 0.6184949984042375
Energy: 0.6203324752906222
Energy: 0.6482756608914066
Energy: 0.6203324752899637
Energy: 0.6184949984029203
Energy: 0.6203324752899637
Energy: 0.648057986196909
Energy: 0.8935966024450428
Energy: 1.7205442745732793
Energy: 0.8935966024463597
Energy: 0.648057986199543
Energy: 0.8935966024457013
Energy: 0.8636316180611276
Energy: 1.0081095298774936
Energy: 1.109970539988645
Energy: 1.0081095298781522
Energy: 0.8636316180611276
Energy: 1.0081095298788108
Energy: 0.7259413331512855
Energy: 1.0394040465217076
Energy: 1.1178637964380864
Energy: 1.039404046523683
Energy: 0.725941333151944
Energy: 1.0394040465243413
Energy: 1.5455558356764594
Energy: 0.636492573177634
Energy: 0.648471934529976
Energy: 0.636492573177634
Energy: 1.5455558356777763
Energy: 0.636492573177634
Energy: 0.6451230145198468
Energy: 1.0621522234304013
Energy: 1.419984340075919
Energy: 1.0621522234304013
Energy: 0.6451230145211636
Energy: 1.0621522234310596
Energy: 1.0896347251242495
Energy: 0.6098058163097703
Energy: 1.2072737879252495
Energy: 0.6098058163110873
Energy: 1.089634725123591
Energy: 0.6098058163110873
Energy: 0.6470409794155726
Energy: 1.2201848956891048
Energy: 1.380611595138539
Energy: 1.2201848956877879
Energy: 0.6470409794149141
Energy: 1.2201848956877879

minimum gb energy = 0.48419509388339804 eV
minimum distance =  2.43749597410178 Angstroms
sigma value = 41


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

Energy: -0.21582651034714356
Energy: -0.2014965158891592
Energy: 1.256889151606291
Energy: -0.20149647592253575
Energy: -0.21582651034534578
Energy: -0.20149307047002551
Energy: 0.6225924739031227
Energy: -0.5201042499247149
Energy: -0.5194071755955124
Energy: -0.5201042499229172
Energy: 0.6225924739031227
Energy: -0.5201042499229172
Energy: -0.2298512341114304
Energy: 0.13838621307133192
Energy: -0.15655972268136914
Energy: 0.13838621307492746
Energy: -0.2298512341132282
Energy: 0.13838621307133192
Energy: 0.9665656448252996
Energy: -0.5193656920671994
Energy: -0.5192164335222332
Energy: -0.5193656920654016
Energy: 0.9665656448270974
Energy: -0.5193656920671994
Energy: -0.22977439052490467
Energy: 0.28127946762591854
Energy: -0.5179128969945644
Energy: 0.2812576847819655
Energy: -0.2297743905267024
Energy: 0.2812769163771488
Energy: -0.22861665989387323
Energy: 0.07941631808954737
Energy: -0.5188747910459447
Energy: 0.07941237140091592
Energy: -0.228616659895671
Energy: 0.07941260012956743
Energy: 0.961536194133498
Energy: -0.5190258619123321
Energy: -0.5187277722755109
Energy: -0.5190258619123321
Energy: 0.961536194133498
Energy: -0.5190258619123321
Energy: -0.22812403745326423
Energy: -0.5194577376781012
Energy: -0.5178988795973265
Energy: -0.5194577376763033
Energy: -0.22812403745681897
Energy: -0.5194577376781012
Energy: 0.6019504261049754
Energy: 0.07828939689705758
Energy: -0.5190649245286276
Energy: 0.07858295078780304
Energy: 0.6019504261031776
Energy: 0.07857610694057095
Energy: -0.2147238848207548
Energy: -0.20007085366875718
Energy: -0.5166973613225421
Energy: -0.20006931184149288
Energy: -0.2147238848207548
Energy: -0.20005946581833334
Energy: 0.6242902714146721
Energy: -0.5195863221520834
Energy: -0.5196121105843529
Energy: -0.5195863221538812
Energy: 0.6242902714146721
Energy: -0.5195863221520834
Energy: -0.23024031314788201
Energy: 0.13801673181875704
Energy: 0.809379091028463
Energy: 0.13801673181875704
Energy: -0.2302403131460842
Energy: 0.13801673182594817
Energy: 0.6244966843355549
Energy: -0.5197661548228203
Energy: -0.5196179326181134
Energy: -0.5197661548228203
Energy: 0.6244966843373526
Energy: -0.5197661548228203
Energy: -0.21479194739343535
Energy: -0.20009275739380003
Energy: -0.5162525909398971
Energy: -0.2001035152893562
Energy: -0.21479194739523313
Energy: -0.2000679360192379

minimum gb energy = -0.5201042499247149 eV
minimum distance =  2.55439432323671 Angstroms
sigma value = 11


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

Energy: 1.5145509848615646
Energy: 0.6608199468002749
Energy: 1.4880787068143568
Energy: 0.6608199468002749
Energy: 1.514550984860775
Energy: 0.6608199468002749
Energy: 0.9380699574382869
Energy: 0.658046126692541
Energy: 0.9468137825632218
Energy: 0.6580461266933308
Energy: 0.9381184369304836
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Energy: 0.9573608121975489
Energy: 0.6572802067839733
Energy: 0.95064691575191
Energy: 0.6572802067839733
Energy: 0.9573608121967592
Energy: 0.6572802067839733
Energy: 0.9895502142237447
Energy: 0.657405536067233
Energy: 0.958036064696465
Energy: 0.657405536067233
Energy: 0.9895502142237447
Energy: 0.657405536067233
Energy: 1.47363205824704
Energy: 0.8962092394315458
Energy: 0.9903918857238104
Energy: 0.8962092394323354
Energy: 1.47363205824704
Energy: 0.8962092394315458
Energy: 1.0070019324875943
Energy: 1.0918544245378123
Energy: 1.242857075796723
Energy: 1.0918544245378123
Energy: 1.0070019324868045
Energy: 1.091854424538602
Energy: 0.9907488684576854
Energy: 0.9691717957252305
Energy: 1.006917032598615
Energy: 0.9691717957252305
Energy: 0.9907488684568956
Energy: 0.9691717957260202
Energy: 0.9573003688916152
Energy: 0.6640245614444831
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Energy: 0.9696652469050397
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Energy: 0.945815531544227
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Energy: 1.006692808111779
Energy: 0.9701792955871699
Energy: 0.9889521885346262
Energy: 0.9701792955863802
Energy: 1.0066928081125686
Energy: 0.9701792955863802
Energy: 1.3624852638942122
Energy: 1.0938408556418733
Energy: 1.4733216393526782
Energy: 1.0938408556418733
Energy: 1.3624852638942122
Energy: 1.0938408556418733
Energy: 1.0008752464653965
Energy: 0.9895509442802217
Energy: 1.0065982088078604
Energy: 0.9895509442802217
Energy: 1.0008752464653965
Energy: 0.9895509442810116
Energy: 0.957269204289519
Energy: 0.6570582488367951
Energy: 0.9911085494102502
Energy: 0.6570582488367951
Energy: 0.9572692042887293
Energy: 0.6570582488360054
Energy: 0.9450614913883432
Energy: 0.6584026140080413
Energy: 0.957292678252837
Energy: 0.6584026140080413
Energy: 0.9450614913867637
Energy: 0.6584026140080413
Energy: 0.9469566525400336
Energy: 0.9702245261674632
Energy: 1.382475083924713
Energy: 0.9702245261666735
Energy: 0.9469566525392439
Energy: 0.9702245261666735

minimum gb energy = 0.6569487881935191 eV
minimum distance =  2.45710572000877 Angstroms
sigma value = 57


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

Energy: 1.3606144870474761
Energy: 1.5464733729699316
Energy: 1.439397174350702
Energy: 1.5464733729699316
Energy: 1.3606144870460708
Energy: 1.5464733729699316
Energy: 1.3616163112816289
Energy: 0.8986601155781979
Energy: 1.3270962569464877
Energy: 1.6609228404641845
Energy: 1.3616163112816289
Energy: 1.491786107505438
Energy: 1.3162076682995614
Energy: 1.4777643278609478
Energy: 1.3301954825163755
Energy: 1.4777643278609478
Energy: 1.3162076682981558
Energy: 1.4777643278609478
Energy: 1.3274627758836643
Energy: 0.8769931242271004
Energy: 1.3273218079992959
Energy: 0.9935021610800204
Energy: 1.327462775882259
Energy: 1.4607827555951711
Energy: 1.3302422396560531
Energy: 1.4778169613349303
Energy: 1.3310598387455632
Energy: 1.4778169613363359
Energy: 1.3302422396574585
Energy: 1.4778169613363359
Energy: 1.3270794574288463
Energy: 1.4917891960694676
Energy: 1.36150436111538
Energy: 1.4917891960694676
Energy: 1.3270794574288463
Energy: 1.4917891960708727
Energy: 1.439397174350702
Energy: 1.5464733729699316
Energy: 1.3606144870460708
Energy: 1.5464733729699316
Energy: 1.439397174350702
Energy: 1.5464733729699316
Energy: 1.3270962569464877
Energy: 1.4917861075068433
Energy: 1.3616163112830344
Energy: 1.491786107505438
Energy: 1.3270962569464877
Energy: 0.8986601155796033
Energy: 1.33019548251497
Energy: 1.4777643278609478
Energy: 1.3162076682995614
Energy: 1.4777643278623531
Energy: 1.33019548251497
Energy: 1.477764327858137
Energy: 1.3273218079992959
Energy: 1.4607827555783064
Energy: 1.327462775882259
Energy: 1.4607827555895494
Energy: 1.3273218079978906
Energy: 0.9973323687491349
Energy: 1.3310598387455632
Energy: 1.4778169613363359
Energy: 1.3302422396560531
Energy: 1.4778169613363359
Energy: 1.3310598387455632
Energy: 1.4778169613349303
Energy: 1.36150436111538
Energy: 1.4917891960708727
Energy: 1.3270794574274407
Energy: 1.4917891960708727
Energy: 1.3615043611167856
Energy: 1.4917891960694676
Energy: 1.3606144870474761
Energy: 1.5464733729699316
Energy: 1.021609206155463
Energy: 1.5464733729699316
Energy: 1.3606144870474761
Energy: 1.5464733729699316
Energy: 1.3616163112816289
Energy: 1.4917861075026269
Energy: 1.3270962569464877
Energy: 1.491786107505438
Energy: 1.3616163112816289
Energy: 1.491786107505438
Energy: 1.3162076682995614
Energy: 1.4777643278595423
Energy: 1.33019548251497
Energy: 1.4777643278595423
Energy: 1.3162076682981558
Energy: 1.4777643278623531
Energy: 1.327462775882259
Energy: 1.4607827555867388
Energy: 1.3273218079978906
Energy: 1.4607827556077877
Energy: 1.327462775882259
Energy: 1.4607827556218413
Energy: 1.3302422396560531
Energy: 1.4778169613349303
Energy: 1.3310598387455632
Energy: 1.4778169613349303
Energy: 1.3302422396560531
Energy: 1.4778169613349303

minimum gb energy = 0.8769931242271004 eV
minimum distance =  2.53628871772049 Angstroms
sigma value = 9


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

Energy: 0.8696504987426092
Energy: 1.0850141197440848
Energy: 0.4776753451720053
Energy: 1.0850141197429375
Energy: 0.8696504987437568
Energy: 1.0850141197440848
Energy: 0.6116259363613071
Energy: 0.35516215778016563
Energy: 0.7211327910928581
Energy: 0.355350118378085
Energy: 0.6116259363601596
Energy: 0.3551128237539157
Energy: 0.7804759128395282
Energy: 0.3335569551784485
Energy: 0.721851420600257
Energy: 0.3335569551761535
Energy: 0.7804759128360855
Energy: 0.3335569551761535
Energy: 0.4767027909020361
Energy: 0.6648100357190623
Energy: 0.33310323308014794
Energy: 0.6648100357190623
Energy: 0.4767027909020361
Energy: 0.6648100357202097
Energy: 0.6165862310012099
Energy: 0.8515000913003451
Energy: 0.8026358511381471
Energy: 0.8515000913014925
Energy: 0.6165862310012099
Energy: 0.8515000913014925
Energy: 0.4743017327312701
Energy: 0.682862862727284
Energy: 0.719203790441327
Energy: 0.6828628627261366
Energy: 0.4743017327324176
Energy: 0.6828628627284316
Energy: 0.4766839171389029
Energy: 0.33385367628418966
Energy: 0.723335434583051
Energy: 0.33385367628304213
Energy: 0.4766839171389029
Energy: 0.33385367628304213
Energy: 0.61216613083784
Energy: 0.4249096002186937
Energy: 0.7277557844875918
Energy: 0.4249096002186937
Energy: 0.6121661308366925
Energy: 0.42490960022098867
Energy: 0.8572822741354965
Energy: 0.8411411746771994
Energy: 0.33151229585701414
Energy: 0.8411411746760518
Energy: 0.8572822741354965
Energy: 0.8411411746783468
Energy: 0.47734231407388217
Energy: 0.6227730848736758
Energy: 0.41287833988888556
Energy: 0.6227730848759708
Energy: 0.4773423140727346
Energy: 0.6227730848759708
Energy: 0.4747603701488679
Energy: 0.4259975563164372
Energy: 0.33152408290506946
Energy: 0.4259975563164372
Energy: 0.4747603701488679
Energy: 0.42599755631528974
Energy: 0.473102734040235
Energy: 0.609957902160722
Energy: 0.329423503824894
Energy: 0.610478109951997
Energy: 0.473102734040235
Energy: 0.6083213827884383
Energy: 0.47509613516096333
Energy: 0.968926100359092
Energy: 0.3425848512917842
Energy: 0.9689261003556494
Energy: 0.47509613516096333
Energy: 0.9689261003602394
Energy: 0.47434545149376717
Energy: 0.6818192407657141
Energy: 0.32778505881572445
Energy: 0.6818192407668616
Energy: 0.47434545149261964
Energy: 0.6818192407668616
Energy: 0.5428445791573421
Energy: 0.6316205765204287
Energy: 0.41464489358151285
Energy: 0.6316205765204287
Energy: 0.5428445791584895
Energy: 0.6316205765204287
Energy: 0.8553038975503734
Energy: 0.8404515386784445
Energy: 0.329037374726114
Energy: 0.8404515386761495
Energy: 0.8553038975503734
Energy: 0.8404515386761495
Energy: 0.6124471306327963
Energy: 0.5134828573103831
Energy: 0.5367387168602323
Energy: 0.5134828542043758
Energy: 0.6124471306305014
Energy: 0.5134828578632149
Energy: 0.7317685947554772
Energy: 0.3542226303670622
Energy: 0.7419420064773278
Energy: 0.35422263036820967
Energy: 0.7317685947566247
Energy: 0.3542226303670622
Energy: 0.7759050864546667
Energy: 0.6831338700129274
Energy: 0.5348784285751986
Energy: 0.6831338700129274
Energy: 0.7759050864546667
Energy: 0.6831338700129274
Energy: 0.4766914016663072
Energy: 0.8411197916796147
Energy: 0.805624447632769
Energy: 0.8411197916773198
Energy: 0.4766914016674548
Energy: 0.8411197916796147
Energy: 0.4760003586503517
Energy: 0.6621340354000445
Energy: 0.33214436903145006
Energy: 0.6621340354023394
Energy: 0.47600035864920415
Energy: 0.662134035401192

minimum gb energy = 0.32778505881572445 eV
minimum distance =  2.53083478120461 Angstroms
sigma value = 27


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

Energy: 0.929071858760459
Energy: 0.6866115831321978
Energy: 0.7342068457822387
Energy: 0.6866115831331651
Energy: 0.929071858761426
Energy: 0.6866115831331651
Energy: 0.8225741412956948
Energy: 0.650010540425737
Energy: 0.7542541527912398
Energy: 0.650010540425737
Energy: 0.8225741412956948
Energy: 0.6500105404247697
Energy: 0.7787191478122771
Energy: 0.7799728962651578
Energy: 0.754243049754133
Energy: 0.7799728962651578
Energy: 0.7787191478113099
Energy: 0.7799728962641904
Energy: 0.8182260225545354
Energy: 0.608331153838699
Energy: 0.8301462923456541
Energy: 0.608331153838699
Energy: 0.8182260225545354
Energy: 0.608331153838699
Energy: 0.403117000436194
Energy: 0.6841634989204175
Energy: 0.4022608036392691
Energy: 0.6841634989213846
Energy: 0.40311700043522675
Energy: 0.6841634989213846
Energy: 0.8497769150183768
Energy: 0.5656464985218533
Energy: 0.8710993394558425
Energy: 0.5656464985199188
Energy: 0.8497769150174095
Energy: 0.5656464985199188
Energy: 0.40256469774983905
Energy: 0.7600229714277457
Energy: 0.8145010750846212
Energy: 0.7600229714267785
Energy: 0.4025646977517736
Energy: 0.7600229714258113
Energy: 0.7520760427961026
Energy: 0.7625900637289913
Energy: 0.844853242760161
Energy: 0.7625900637280241
Energy: 0.7520760427951354
Energy: 0.7625900637280241
Energy: 0.9242955284346211
Energy: 0.5140464768516047
Energy: 0.9603197490252245
Energy: 0.5140464768525721
Energy: 0.9242955284346211
Energy: 0.5140464768535392
Energy: 0.7467336501719625
Energy: 0.9373294403131684
Energy: 0.3909727071691179
Energy: 0.9373294403122011
Energy: 0.7467336501719625
Energy: 0.9373294403122011
Energy: 0.7520361302247766
Energy: 0.4343463729627458
Energy: 0.8635926470278804
Energy: 0.4343463729898289
Energy: 0.7520361302247766
Energy: 0.4343463729888617
Energy: 0.9243956040957932
Energy: 0.5127629427501599
Energy: 0.8802414003289849
Energy: 0.5127629427482254
Energy: 0.9243956040957932
Energy: 0.5127629427482254
Energy: 0.747346081246895
Energy: 0.7034425772478852
Energy: 0.8144213286483514
Energy: 0.7034425772478852
Energy: 0.747346081246895
Energy: 0.7034425772478852
Energy: 0.5893270756870594
Energy: 0.609097223557544
Energy: 0.8148408779087398
Energy: 0.6090972235585113
Energy: 0.5893270756860922
Energy: 0.609097223557544
Energy: 0.8629370003325252
Energy: 0.8400640408758874
Energy: 0.871250554992378
Energy: 0.8400640408739528
Energy: 0.862937000331558
Energy: 0.8400640408739528
Energy: 0.40257980253026104
Energy: 0.6841634989223518
Energy: 0.4027321906129553
Energy: 0.6841634989223518
Energy: 0.4025798025292937
Energy: 0.6841634989213846
Energy: 0.817827564221593
Energy: 0.6085809196773773
Energy: 0.8304846237847348
Energy: 0.6085809196783445
Energy: 0.817827564221593
Energy: 0.6085809196783445
Energy: 0.7784674444811641
Energy: 0.7801865782808527
Energy: 0.7542394736439753
Energy: 0.78018657828182
Energy: 0.7784674444811641
Energy: 0.78018657828182
Energy: 0.807601605835869
Energy: 0.7623309982034814
Energy: 0.754203012855907
Energy: 0.7623309982054157
Energy: 0.8076016058378036
Energy: 0.7623309982044486
Energy: 0.929071858761426
Energy: 0.6866115831321978
Energy: 0.7342068456855573
Energy: 0.6866115831321978
Energy: 0.9290718587623933
Energy: 0.6866115831331651
Energy: 0.8225741412966622
Energy: 0.650010540425737
Energy: 0.754254152792207
Energy: 0.6500105404247697
Energy: 0.8225741412966622
Energy: 0.6500105404247697
Energy: 0.7787191478113099
Energy: 0.7799728962651578
Energy: 0.7542430497531657
Energy: 0.7799728962651578
Energy: 0.7787191478103427
Energy: 0.7799728962651578
Energy: 0.8182260225555026
Energy: 0.6083311538396661
Energy: 0.8301462923427524
Energy: 0.6083311538396661
Energy: 0.8182260225564698
Energy: 0.6083311538396661
Energy: 0.403117000436194
Energy: 0.6841634989204175
Energy: 0.4022608036392691
Energy: 0.6841634989223518
Energy: 0.40311700043522675
Energy: 0.6841634989223518
Energy: 0.8497769150174095
Energy: 0.5656464985218533
Energy: 0.8710993394558425
Energy: 0.5656464985208861
Energy: 0.8497769150174095
Energy: 0.5656464985208861

minimum gb energy = 0.3909727071691179 eV
minimum distance =  2.46302916848032 Angstroms
sigma value = 19


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

Energy: 1.0386900696399866
Energy: 0.9435786436806672
Energy: 0.9244259070632441
Energy: 0.9435786437073849
Energy: 1.0386900696391517
Energy: 0.9435786436789974
Energy: 0.8194664129280135
Energy: 0.823130812200832
Energy: 0.8972565719384198
Energy: 0.8231308122033366
Energy: 0.8194664129296831
Energy: 0.8231308122033366
Energy: 0.6069876396709086
Energy: 0.9200924405147497
Energy: 0.8976003719835546
Energy: 0.9200924405130798
Energy: 0.6069876396717435
Energy: 0.9200924405130798
Energy: 0.8181597969463928
Energy: 1.012167515936274
Energy: 0.7763787072532345
Energy: 1.012167515936274
Energy: 0.818159796944723
Energy: 1.0121675159346042
Energy: 0.8188482478940624
Energy: 1.133680108410442
Energy: 0.7753409275830643
Energy: 1.1336801084112769
Energy: 0.8188482478932275
Energy: 1.133680108410442
Energy: 0.9349895803257494
Energy: 0.771431727057255
Energy: 0.7749201690848682
Energy: 0.7714317270580898
Energy: 0.9349895803257494
Energy: 0.7714317270580898
Energy: 0.8630054289752102
Energy: 1.0510450157972906
Energy: 0.7803187334158936
Energy: 1.0510450157972906
Energy: 0.8630054289777149
Energy: 1.0510450157981255
Energy: 0.8185612770599845
Energy: 0.9597550289099103
Energy: 0.7745068538578204
Energy: 0.9597550289099103
Energy: 0.8185612770583147
Energy: 0.9597550289090754
Energy: 0.818895526258799
Energy: 0.77024164596216
Energy: 0.9745907793909429
Energy: 0.770241645962995
Energy: 0.8188955262579641
Energy: 0.770241645962995
Energy: 1.0579923377702611
Energy: 0.8277108917493861
Energy: 0.8976870184002111
Energy: 0.8277108917477162
Energy: 1.057992337771931
Energy: 0.8277108917477162
Energy: 0.8189613571493815
Energy: 0.6766757660216833
Energy: 0.6384207744718019
Energy: 0.6766757660208486
Energy: 0.8189613571518863
Energy: 0.6766757660208486
Energy: 0.5732391618294009
Energy: 1.068701855059636
Energy: 0.8261091777788412
Energy: 1.0687018550512866
Energy: 0.5732391618294009
Energy: 1.068701855057966
Energy: 0.5718930256707313
Energy: 0.983662730487
Energy: 0.8973409873583982
Energy: 0.9836627304886698
Energy: 0.5718930256715662
Energy: 0.9836627304878349
Energy: 0.9092418007058861
Energy: 0.6771901840256798
Energy: 0.8120076714318998
Energy: 0.6771901840415434
Energy: 0.909241800706721
Energy: 0.67719018402401
Energy: 0.818776920248677
Energy: 1.0194843859821632
Energy: 0.8984748314580808
Energy: 1.019484385982998
Energy: 0.8187769202603659
Energy: 1.019484385982998
Energy: 0.8187634626563643
Energy: 0.7716745672387282
Energy: 0.8978740741283664
Energy: 0.7716745672378933
Energy: 0.8187634626546946
Energy: 0.7716745672378933
Energy: 0.6061222903312686
Energy: 0.9166199187204294
Energy: 0.5602936137156964
Energy: 0.9166199187204294
Energy: 0.6061222903312686
Energy: 0.9166199187195944
Energy: 1.1604457948515838
Energy: 0.9994987181713614
Energy: 0.8975511519179412
Energy: 0.9994987181738662
Energy: 1.1604457948532536
Energy: 0.9994987181705264
Energy: 0.6061387216978635
Energy: 0.9167076803662946
Energy: 0.5602374406922039
Energy: 0.9167076803662946
Energy: 0.6061387217003682
Energy: 0.9167076803662946
Energy: 0.8186358547689154
Energy: 0.7720427094197128
Energy: 0.8982808223305608
Energy: 0.772042709417208
Energy: 0.8186358547697502
Energy: 0.7720427094180429
Energy: 0.8185703445675063
Energy: 1.0194828174046642
Energy: 0.8984562627819
Energy: 1.0194828174021593
Energy: 0.8185703445691762
Energy: 1.0194828174021593
Energy: 0.9092898402083806
Energy: 0.6764670685118797
Energy: 0.8122314069529915
Energy: 0.6764670685218986
Energy: 0.9092898402083806
Energy: 0.6764670685269083
Energy: 0.5719226446154446
Energy: 0.9837939317327257
Energy: 0.8973065705781381
Energy: 0.9837939317343954
Energy: 0.5719226446146096
Energy: 0.9837939317352303
Energy: 0.5731747073768358
Energy: 1.068857511716101
Energy: 0.8261881596840485
Energy: 1.0688575117044121
Energy: 0.5731747073776708
Energy: 1.06885751172612
Energy: 0.8190015892121489
Energy: 0.6765723252223154
Energy: 0.7131553422789148
Energy: 0.6765723252214805
Energy: 0.8190015892121489
Energy: 0.6765723252231503
Energy: 0.8201806231215961
Energy: 0.8276953950586594
Energy: 0.8978494088346974
Energy: 0.8276953950586594
Energy: 0.8201806231215961
Energy: 0.8276953950586594
Energy: 0.8189337363398372
Energy: 0.7701807739752495
Energy: 0.7869300561284585
Energy: 0.7701807739752495
Energy: 0.8189337363381675
Energy: 0.7701807739752495
Energy: 0.8186507852270172
Energy: 0.9598117628515777
Energy: 0.7743741164470316
Energy: 0.9598117628532477
Energy: 0.8186507852278521
Energy: 0.9598117628532477
Energy: 0.8629487906175468
Energy: 1.0510450157972906
Energy: 0.7808401649881291
Energy: 1.0510450157981255
Energy: 0.8629487906175468
Energy: 1.0510450157981255

minimum gb energy = 0.5602374406922039 eV
minimum distance =  2.44844415945189 Angstroms
sigma value = 101


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

Energy: 1.3132421424045455
Energy: 1.451900440977763
Energy: 1.187503505472518
Energy: 1.4519004409799647
Energy: 1.313242142383995
Energy: 1.451900440977763
Energy: 1.2436053725756195
Energy: 1.2922418346640074
Energy: 1.2547642031191368
Energy: 1.2922418346625395
Energy: 1.2436053725763536
Energy: 1.2922418346640074
Energy: 1.1865174841993098
Energy: 1.4162397059255056
Energy: 1.2659611277642482
Energy: 1.4162397059343128
Energy: 1.1865174842000437
Energy: 1.4162397059269733
Energy: 1.2273897034020025
Energy: 1.367972753162409
Energy: 1.1852683787739042
Energy: 1.2799472693011138
Energy: 1.2273897034020025
Energy: 1.367972753162409
Energy: 1.2245177121532809
Energy: 1.3170452468587879
Energy: 0.7877977438693079
Energy: 1.3170452468602558
Energy: 1.224517712154015
Energy: 1.3170452468573202
Energy: 1.2123091174020657
Energy: 1.303285346906128
Energy: 1.230857444336242
Energy: 1.303285346903926
Energy: 1.2123091174057354
Energy: 1.303285346906128
Energy: 1.2369523348059461
Energy: 1.3435105709122612
Energy: 1.2248149723846615
Energy: 1.343510570912995
Energy: 1.23695233480668
Energy: 1.3435105709115274
Energy: 1.186399713363685
Energy: 0.8933345955644322
Energy: 1.1854223673672437
Energy: 1.340814086959343
Energy: 1.186399713364419
Energy: 1.339925981651488
Energy: 1.2319801819441836
Energy: 1.3138474504256072
Energy: 1.219518831163647
Energy: 1.3138474504248732
Energy: 1.2319801819441836
Energy: 1.3138474504241395
Energy: 1.2307044769669362
Energy: 1.308601293627232
Energy: 1.2243813193511852
Energy: 1.3086012935384588
Energy: 1.2307044769684041
Energy: 1.308601293578792
Energy: 0.8626147235626592
Energy: 1.2899020291419436
Energy: 1.3374858521995232
Energy: 1.2899020291426777
Energy: 0.8626147235633932
Energy: 1.2899020291426777
Energy: 1.2493665795887312
Energy: 1.2690717627922303
Energy: 1.2299710769119316
Energy: 1.269071762795166
Energy: 1.2493665796107494
Energy: 1.2690717627936983
Energy: 1.2681848172347985
Energy: 1.2884652312891638
Energy: 1.2495637342728183
Energy: 1.2884652312898979
Energy: 1.2681848172325965
Energy: 1.28846523128843
Energy: 1.1834792008723996
Energy: 1.4314779825399873
Energy: 1.242875070638861
Energy: 0.46065918643284137
Energy: 1.1834792008709316
Energy: 1.4314779825407211
Energy: 0.8111467889748518
Energy: 1.2443077525573778
Energy: 1.2448775058477635
Energy: 1.2443077893173013
Energy: 0.8111467889748518
Energy: 1.2443077600974448
Energy: 1.2689227343882168
Energy: 1.4514201150277726
Energy: 1.1861872783256413
Energy: 1.4514201150277726
Energy: 1.2689227343126543
Energy: 1.4514201150277726
Energy: 1.2320003321714335
Energy: 1.3637540450053511
Energy: 1.2629324678602571
Energy: 1.3637540450031493
Energy: 1.2320003321706994
Energy: 1.363754045004617
Energy: 1.185435588370258
Energy: 1.3151664554967186
Energy: 1.2291952556776797
Energy: 1.315166455493783
Energy: 1.185435588370258
Energy: 1.315166455494517
Energy: 1.201310577883107
Energy: 1.3000439278507419
Energy: 1.183194629516913
Energy: 1.3000439278507419
Energy: 1.2013105778889785
Energy: 1.3000439278507419
Energy: 1.224647714505491
Energy: 1.3741901077918743
Energy: 1.2571626513330127
Energy: 1.374190107785269
Energy: 1.224647714505491
Energy: 1.3741901077742598
Energy: 1.1959072818767464
Energy: 1.3686254372226712
Energy: 1.1862236700086104
Energy: 1.3686254372204696
Energy: 1.1959072818760124
Energy: 1.3686254372212032
Energy: 1.22968675271551
Energy: 1.3198935854385507
Energy: 1.2243423368721174
Energy: 1.3198935854392846
Energy: 1.229686752714776
Energy: 1.3198935854378169
Energy: 1.1860616819468757
Energy: 1.3163458412253861
Energy: 1.230567702525498
Energy: 1.31634584122612
Energy: 1.1860616819476095
Energy: 1.3163458412253861
Energy: 1.2282919167062345
Energy: 1.3533287339075748
Energy: 1.21634957843895
Energy: 1.3533287338276088
Energy: 1.2282919167077024
Energy: 1.353328733906841
Energy: 1.2307033621835883
Energy: 1.2718854098655288
Energy: 1.2292808801527326
Energy: 1.2718854098677308
Energy: 1.2307033621821204
Energy: 1.2718854098677308
Energy: 1.2275837103032847
Energy: 1.3091533053256708
Energy: 1.44397623628478
Energy: 1.309153305310258
Energy: 1.2275837103032847
Energy: 1.3091533053300741
Energy: 1.2431090111530336
Energy: 1.33394529154439
Energy: 1.2296428339236882
Energy: 1.3339452940614043
Energy: 1.2431090111530336
Energy: 1.3339452938721479
Energy: 1.2436013549584708
Energy: 1.2452777403361592
Energy: 1.2257188469781497
Energy: 1.2452777387728002
Energy: 1.2436013549606728
Energy: 1.2452777125453842
Energy: 1.2106276560663762
Energy: 1.3104363748575167
Energy: 1.2892075741271554
Energy: 1.3104363747489605
Energy: 1.2106276560663762
Energy: 1.3104363748861403
Energy: 1.2309860402127555
Energy: 1.2720645626335871
Energy: 1.2241136647264823
Energy: 1.272064562635055
Energy: 1.2309860402149573
Energy: 1.2720645626335871
Energy: 1.2266160527056464
Energy: 1.453641263685146
Energy: 1.1855065132910474
Energy: 1.4536412636858798
Energy: 1.2266160526242125
Energy: 1.4536412636880816
Energy: 1.2328895416936325
Energy: 1.3000971136782833
Energy: 1.231567123001008
Energy: 1.3000971136760815
Energy: 1.2328895416951005
Energy: 1.3000971136768154
Energy: 1.2300159300539333
Energy: 1.3678951554254624
Energy: 1.186021319469701
Energy: 1.3678951554115175
Energy: 1.230015930057603
Energy: 1.367895155379958

minimum gb energy = 0.46065918643284137 eV
minimum distance =  2.50842835512391 Angstroms
sigma value = 33


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

Energy: 0.019525323544078897
Energy: -0.7675444737896381
Energy: 0.2863504897736315
Energy: -0.7675615276301463
Energy: 0.019525323544078897
Energy: -0.7675205551229564
Energy: 0.019783654724667095
Energy: 0.5830766960972166
Energy: 0.019783654724667095
Energy: 0.5830766960978264
Energy: 0.019783654724667095
Energy: 0.583076696096607
Energy: 0.9132319073129315
Energy: -0.7675483157915691
Energy: 0.019525323544078897
Energy: -0.7675180795198512
Energy: 0.9132319073188602
Energy: -0.7675554850719943
Energy: 0.01978365472405729
Energy: 0.583076696096607
Energy: 0.019783654725276906
Energy: 0.5830766960972166
Energy: 0.01978365472405729
Energy: 0.5830766960984024

minimum gb energy = -0.7675615276301463 eV
minimum distance =  2.65399984049077 Angstroms
sigma value = 1