Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863848514854908
cohesive_energy=4.177572505228375
mass=55.845
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: 0.012868374798100147
Energy: 0.013047170037713298
Energy: 0.013215222934951707
Energy: 0.013047170039656553
Energy: 0.012868374798100147
Energy: 0.013047170038684925
Energy: 0.013047170039656553
Energy: 3.124930206670449
Energy: 0.013047170037713298
Energy: 3.1249302066728917
Energy: 0.013047170040655939
Energy: 3.1249302066724205
Energy: 0.013224076107805795
Energy: 0.013047170038212992
Energy: 0.012868374797628214
Energy: 0.0130471700420995
Energy: 0.013223863521201435
Energy: 0.013047170037713298
Energy: 0.013047170039656553
Energy: 3.1249302066728917
Energy: 0.013047170039656553
Energy: 3.1249302066719205
Energy: 0.013047170039184618
Energy: 3.1249302066738633
Energy: 0.012868374798100147
Energy: 0.013047170039656553
Energy: 0.013220143731194785
Energy: 0.013047170040156247
Energy: 0.012868374798100147
Energy: 0.013047170043098888
Energy: 0.013047170039656553
Energy: 3.1249302066699767
Energy: 0.013047170039184618
Energy: 3.124930206671421
Energy: 0.013047170037713298
Energy: 3.1249302066724205

minimum gb energy = 0.012868374797628214 eV
minimum distance =  2.35245945282616 Angstroms
sigma value = 1


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

Energy: 1.8036129593299426
Energy: 1.456604599212436
Energy: 1.5933349397382106
Energy: 1.456604599211233
Energy: 1.8036129593287396
Energy: 1.456604599211233
Energy: 1.5870848586846182
Energy: 1.38424389203615
Energy: 1.5853167056674229
Energy: 1.38424389203615
Energy: 1.5870848586906323
Energy: 1.38424389203615
Energy: 1.5978679243948835
Energy: 1.3826120144873502
Energy: 1.8123954889661407
Energy: 1.3826120144897558
Energy: 1.5978679243996947
Energy: 1.382612014488553
Energy: 1.5983009482112953
Energy: 1.3636204078722551
Energy: 1.584411334573494
Energy: 1.363620407871052
Energy: 1.5983009482076866
Energy: 1.363620407871052
Energy: 1.596908379335701
Energy: 1.4563917810663496
Energy: 1.702123004715259
Energy: 1.4563917810663496
Energy: 1.5969083792647891
Energy: 1.4563917810663496
Energy: 1.586702854704809
Energy: 1.3828861330023399
Energy: 1.5961012077524364
Energy: 1.3828861330035425
Energy: 1.586702854698795
Energy: 1.3828861330023399
Energy: 1.5865393792487639
Energy: 1.383008201480263
Energy: 1.5951037691962824
Energy: 1.383008201480263
Energy: 1.586539378850848
Energy: 1.383008201480263
Energy: 1.5961171338613607
Energy: 1.4563315427355688
Energy: 1.5890407360764716
Energy: 1.4563315427355688
Energy: 1.596118064623809
Energy: 1.4563315427367718
Energy: 1.598213998027475
Energy: 1.3634220395479075
Energy: 1.583394697746145
Energy: 1.3634220395491106
Energy: 1.598213998021461
Energy: 1.3634220395491106
Energy: 1.8070862023760794
Energy: 1.3825624667587202
Energy: 1.5953766022816527
Energy: 1.3825624667587202
Energy: 1.8070862023748766
Energy: 1.3825624667599232
Energy: 1.5937522628118497
Energy: 1.3070454244193346
Energy: 1.5867519808023165
Energy: 1.307045424416929
Energy: 1.593734416598801
Energy: 1.3070454244181315
Energy: 1.5857051522820729
Energy: 1.456658466774108
Energy: 1.5857041634165507
Energy: 1.4566584667729054
Energy: 1.5857051522796672
Energy: 1.4566584667729054
Energy: 1.5867545517241024
Energy: 1.307045424422943
Energy: 1.6415677161976956
Energy: 1.3070454244205372
Energy: 1.5867545517241024
Energy: 1.3070454244217402
Energy: 1.5953624062849923
Energy: 1.3825703852033893
Energy: 1.807223303459431
Energy: 1.382570385205795
Energy: 1.5953624062825866
Energy: 1.382570385205795
Energy: 1.583395038064008
Energy: 1.3634239909981745
Energy: 1.5982130826879655
Energy: 1.3634239909993775
Energy: 1.5833950380652106
Energy: 1.3634239909981745
Energy: 1.5889888080047303
Energy: 1.4563527243513334
Energy: 1.5967260817028501
Energy: 1.456352724352536
Energy: 1.5889888080047303
Energy: 1.456352724352536
Energy: 1.5951032704983619
Energy: 1.38302692582313
Energy: 1.5865249001151862
Energy: 1.38302692582313
Energy: 1.5951032704911998
Energy: 1.38302692582313
Energy: 1.5961065122574092
Energy: 1.382936730409528
Energy: 1.5868643827407036
Energy: 1.3829367304107305
Energy: 1.596106512258612
Energy: 1.3829367304107305
Energy: 1.7013639068457376
Energy: 1.4563691049727632
Energy: 1.5969483209987443
Energy: 1.456369104973966
Energy: 1.7013639068445345
Energy: 1.456369104973966
Energy: 1.5844186215369924
Energy: 1.363618505075129
Energy: 1.5983066380827362
Energy: 1.363618505075129
Energy: 1.5844186215369924
Energy: 1.3636185050763319
Energy: 1.812470803247264
Energy: 1.3826198619572514
Energy: 1.5978668857328815
Energy: 1.3826198619560486
Energy: 1.812470803247264
Energy: 1.3826198619560486
Energy: 1.58532098198475
Energy: 1.3841452902392744
Energy: 1.587071129432583
Energy: 1.384145290240477
Energy: 1.58532098198475
Energy: 1.38414529024168
Energy: 1.5933349397370078
Energy: 1.4566045992100303
Energy: 1.8036129593287396
Energy: 1.456604599211233
Energy: 1.5933349397406162
Energy: 1.456604599211233

minimum gb energy = 1.307045424416929 eV
minimum distance =  2.29044465781258 Angstroms
sigma value = 33


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

Energy: 1.810917533322685
Energy: 1.5510205590061104
Energy: 1.6836285824127997
Energy: 1.5510205590061104
Energy: 1.8109175333233691
Energy: 1.5510205590067945
Energy: 1.6710686974782059
Energy: 1.4545122080808408
Energy: 1.6865039707141676
Energy: 1.4545122080808408
Energy: 1.6710686771478007
Energy: 1.4545122080808408
Energy: 1.6929414958340285
Energy: 1.5509023312600247
Energy: 1.6709785667998491
Energy: 1.5509023312566041
Energy: 1.6929414958326603
Energy: 1.5509023312566041
Energy: 1.6783283694817017
Energy: 1.4383754514723417
Energy: 1.6762915864218453
Energy: 1.4383754514716578
Energy: 1.6783283694755755
Energy: 1.4383754514716578
Energy: 1.678024721735969
Energy: 1.4994452032690095
Energy: 1.701487129410739
Energy: 1.4994452032717462
Energy: 1.6780247217004236
Energy: 1.4994452032717462
Energy: 1.6707683363945947
Energy: 1.4994798251159507
Energy: 1.6847924064161437
Energy: 1.499479825116635
Energy: 1.6707541274747588
Energy: 1.499479825116635
Energy: 1.670784337756363
Energy: 1.4994824410614225
Energy: 1.6902452210397974
Energy: 1.4994824410607386
Energy: 1.67077204940821
Energy: 1.4994824410607386
Energy: 1.6840081682147892
Energy: 1.4993447861187608
Energy: 1.6700358381318534
Energy: 1.499344786119445
Energy: 1.6840009938706995
Energy: 1.499344786119445
Energy: 1.676191776320994
Energy: 1.4383460216454307
Energy: 1.671277949885362
Energy: 1.4383460216426942
Energy: 1.6761926319337836
Energy: 1.4383460216426942
Energy: 1.8125435765159201
Energy: 1.5509647626614882
Energy: 1.675920027153997
Energy: 1.5509647626621723
Energy: 1.8125435765138678
Energy: 1.5509647626621723
Energy: 1.670235730209399
Energy: 1.405872610091519
Energy: 1.6760824607090363
Energy: 1.4058726100922034
Energy: 1.6702357304159228
Energy: 1.4058726100922034
Energy: 2.0150596993372907
Energy: 1.4994126569266708
Energy: 1.709380320697436
Energy: 1.4994126569280393
Energy: 2.0150596993372907
Energy: 1.4994126569287234
Energy: 1.6759096900465227
Energy: 1.4797221193604004
Energy: 1.6715522427824083
Energy: 1.4797221193597163
Energy: 1.6759240187715045
Energy: 1.4797221193597163
Energy: 1.696445168915025
Energy: 1.5508782000119168
Energy: 1.666736575965752
Energy: 1.5508782000098646
Energy: 1.6964451689136564
Energy: 1.5508782000098646
Energy: 1.6710184661449738
Energy: 1.4996867262642712
Energy: 1.6808965029397245
Energy: 1.499686726262903
Energy: 1.6708357015029196
Energy: 1.499686726262219
Energy: 1.6708848812111423
Energy: 1.49942992898336
Energy: 1.7093063032422813
Energy: 1.4994299289819915
Energy: 1.6708863600985444
Energy: 1.499429928982676
Energy: 1.6761190081662964
Energy: 1.4993912917391476
Energy: 1.675966289478137
Energy: 1.4993912917405159
Energy: 1.6761026622780737
Energy: 1.4993912917405159
Energy: 1.6761528466199749
Energy: 1.4543963780371252
Energy: 1.681610779484895
Energy: 1.4543963780371252
Energy: 1.676153016078029
Energy: 1.4543963780378095
Energy: 1.7022549540131582
Energy: 1.499382502640748
Energy: 1.6702370222976954
Energy: 1.4993825026414322
Energy: 1.702254954012474
Energy: 1.4993825026414322
Energy: 1.677129579588478
Energy: 1.4385757041650045
Energy: 1.671624147995447
Energy: 1.4385757041643201
Energy: 1.6771295795638481
Energy: 1.438575704163636
Energy: 2.010015693588445
Energy: 1.5507414926595828
Energy: 1.6842590697375952
Energy: 1.5507414926582144
Energy: 2.010015693588445
Energy: 1.5507414926582144
Energy: 1.671017528235322
Energy: 1.4053596186872994
Energy: 1.6869443602609144
Energy: 1.4053596186886677
Energy: 1.6710175282154813
Energy: 1.4053596186886677
Energy: 1.8162417265944564
Energy: 1.499375519517815
Energy: 1.7016017527707021
Energy: 1.499375519517131
Energy: 1.816241726593088
Energy: 1.499375519517131
Energy: 1.6867046929323402
Energy: 1.4546479749180163
Energy: 1.6776047285881217
Energy: 1.454647974917332
Energy: 1.6867046929275822
Energy: 1.454647974916648
Energy: 1.6841468835263003
Energy: 1.4993395761488364
Energy: 1.6718161382276406
Energy: 1.4993395761488364
Energy: 1.6841469296224667
Energy: 1.4993395761495207
Energy: 1.6678217242556168
Energy: 1.5505033098978886
Energy: 1.691058256989436
Energy: 1.5505033098978886
Energy: 1.6677128047364365
Energy: 1.5505033098978886
Energy: 1.6676892859395587
Energy: 1.550524244724449
Energy: 1.6991535098372106
Energy: 1.550524244724449
Energy: 1.6676876947694348
Energy: 1.550524244724449
Energy: 1.684041146410248
Energy: 1.4993059876002237
Energy: 1.6718729008298905
Energy: 1.4993059876022763
Energy: 1.6840412228820296
Energy: 1.4993059876022763
Energy: 1.6865511986394197
Energy: 1.4545115900007919
Energy: 1.6790327920878776
Energy: 1.454511590002844
Energy: 1.6865511986476296
Energy: 1.4545115900021601
Energy: 1.8162476405226622
Energy: 1.4993691348816798
Energy: 1.6744734319362062
Energy: 1.499369134883048
Energy: 1.8162476405240306
Energy: 1.499369134883048
Energy: 1.6709975775061956
Energy: 1.4053596186941408
Energy: 1.6871575024296424
Energy: 1.4053596186955093
Energy: 1.670997577489092
Energy: 1.4053596186948254
Energy: 2.0099153697212704
Energy: 1.5507967500438622
Energy: 1.6842614890902123
Energy: 1.5507967500438622
Energy: 2.009915369720586
Energy: 1.5507967500431779
Energy: 1.6771274156541849
Energy: 1.4385757835055706
Energy: 1.6716112881304768
Energy: 1.4385757835021498
Energy: 1.6771274161732461
Energy: 1.4385757835021498
Energy: 1.7022546584324678
Energy: 1.4995720859398254
Energy: 1.6704930833221527
Energy: 1.4995720859398254
Energy: 1.7022546584317835
Energy: 1.4995720859398254
Energy: 1.6761696528023091
Energy: 1.4543991660304534
Energy: 1.6973877569853804
Energy: 1.4543991660318216
Energy: 1.676169709645978
Energy: 1.4543991660318216
Energy: 1.6762938414488058
Energy: 1.4993981474934914
Energy: 1.6798930071851834
Energy: 1.4993981474928073
Energy: 1.6762980339688298
Energy: 1.4993981474928073
Energy: 1.6707636469496128
Energy: 1.499233304559892
Energy: 1.693007788523046
Energy: 1.499233304559892
Energy: 1.6707620321911665
Energy: 1.499233304559892
Energy: 1.670958903384932
Energy: 1.4994990176335503
Energy: 1.6808556306919233
Energy: 1.4994990176342349
Energy: 1.6709664416401198
Energy: 1.4994990176335503
Energy: 1.6963254539986359
Energy: 1.5508745448288126
Energy: 1.6668995624455352
Energy: 1.550874544827444
Energy: 1.6963254539979515
Energy: 1.550874544827444
Energy: 1.6759723050085484
Energy: 1.4797069264196943
Energy: 1.6713364948768399
Energy: 1.4797069264217468
Energy: 1.675973083788475
Energy: 1.479706926421063
Energy: 2.014850513678138
Energy: 1.4993952063569183
Energy: 1.6927528346451857
Energy: 1.49939520635555
Energy: 2.014850513678822
Energy: 1.49939520635555

minimum gb energy = 1.4053596186872994 eV
minimum distance =  2.28091916271903 Angstroms
sigma value = 51


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

Energy: 2.3123877574869005
Energy: 1.6070352456511405
Energy: 1.659232081930085
Energy: 1.6070352456495551
Energy: 2.3123877574853156
Energy: 1.6070352456495551
Energy: 1.6652057061001977
Energy: 1.4734506653471662
Energy: 1.9345631958176919
Energy: 1.4734506653487514
Energy: 1.6652057061001977
Energy: 1.4734506653503365
Energy: 1.6799595221929686
Energy: 1.6070471642256596
Energy: 1.808581081240037
Energy: 1.6070471642256596
Energy: 1.6799595221897983
Energy: 1.6070471642256596
Energy: 1.6604698820309995
Energy: 1.4735819390060385
Energy: 1.9354925577837616
Energy: 1.4735819390060385
Energy: 1.6604698820325847
Energy: 1.4735819390060385
Energy: 1.6612329950835496
Energy: 1.4728569225720827
Energy: 1.8085208495629883
Energy: 1.472856922573668
Energy: 1.6612329950835496
Energy: 1.472856922573668
Energy: 1.9458264448069307
Energy: 1.473107288603781
Energy: 1.9341645389926005
Energy: 1.4731072886053662
Energy: 1.9458264448085159
Energy: 1.4731072886053662
Energy: 1.9466307270413354
Energy: 1.4731720270877682
Energy: 1.8087515360262776
Energy: 1.4731720270877682
Energy: 1.9466307270413354
Energy: 1.4731720270877682
Energy: 1.6604256731751557
Energy: 1.472797585987522
Energy: 1.6744201924773263
Energy: 1.472797585987522
Energy: 1.6604256731751557
Energy: 1.4727975859891071
Energy: 1.9465583827230282
Energy: 1.344153963261138
Energy: 1.6768644453878772
Energy: 1.344153963261138
Energy: 1.9465583827214428
Energy: 1.344153963261138
Energy: 1.6609466935489035
Energy: 1.6068618109214343
Energy: 1.6743807660440357
Energy: 1.6068618109214343
Energy: 1.6609466935425625
Energy: 1.6068618109230195
Energy: 1.9473355842834548
Energy: 1.4737158946720836
Energy: 1.9336147894972031
Energy: 1.473715894673669
Energy: 1.9473355842834548
Energy: 1.473715894673669
Energy: 1.9449336532599262
Energy: 1.6068835268063029
Energy: 1.9337379417082023
Energy: 1.6068835268047175
Energy: 1.9449336532599262
Energy: 1.6068835268047175
Energy: 1.8057221916117434
Energy: 1.4735631928589437
Energy: 1.9335630509322466
Energy: 1.4735631928605284
Energy: 1.8057221916133286
Energy: 1.4735631928605284
Energy: 1.661004313787271
Energy: 1.6069562763879786
Energy: 1.9317410221945455
Energy: 1.6069562763863934
Energy: 1.661004313787271
Energy: 1.6069562763863934
Energy: 1.660857638531707
Energy: 1.606864234805675
Energy: 1.932641800046704
Energy: 1.6068642348025046
Energy: 1.660857638531707
Energy: 1.6068642348040898
Energy: 1.679922725768613
Energy: 1.4732228121178628
Energy: 1.9319607429225296
Energy: 1.4732228121178628
Energy: 1.6799227257701983
Energy: 1.4732228121178628
Energy: 1.9455287676944915
Energy: 1.6068260512572299
Energy: 1.9361469826968398
Energy: 1.6068260512572299
Energy: 1.9455287676944915
Energy: 1.6068260512572299
Energy: 1.9470648359161917
Energy: 1.4736249004200739
Energy: 1.9318812015175622
Energy: 1.4736249004200739
Energy: 1.9470648359161917
Energy: 1.4736249004200739

minimum gb energy = 1.344153963261138 eV
minimum distance =  2.27997940927299 Angstroms
sigma value = 19


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

Energy: 2.383602690770859
Energy: 1.5996435644816462
Energy: 1.8571990036505472
Energy: 1.5996435644825866
Energy: 2.383602690769919
Energy: 1.5996435644825866
Energy: 1.8376268515554657
Energy: 1.4975067640844266
Energy: 1.8422157021204755
Energy: 1.4975067640853668
Energy: 1.8376268515582865
Energy: 1.4975067640844266
Energy: 1.8680492438873717
Energy: 1.5996104696198223
Energy: 1.8417513292877423
Energy: 1.5996104696188822
Energy: 1.8680492438873717
Energy: 1.5996104696188822
Energy: 1.8745158289169899
Energy: 1.4963301952417625
Energy: 1.842196396117496
Energy: 1.4963301952417625
Energy: 1.8745158289188704
Energy: 1.4963301952417625
Energy: 1.8575261005512735
Energy: 1.5995338471822664
Energy: 1.8657192738789525
Energy: 1.599533847184147
Energy: 1.8575704021982358
Energy: 1.5995338471832068
Energy: 1.8555589723581212
Energy: 1.5995303659157132
Energy: 1.8575169792305104
Energy: 1.5995303659157132
Energy: 1.855558972351539
Energy: 1.5995303659157132
Energy: 1.8422004925161437
Energy: 1.4962551326171498
Energy: 1.8694646029107462
Energy: 1.4962551326171498
Energy: 1.8422004925180242
Energy: 1.4962551326171498
Energy: 1.8416351751828088
Energy: 1.5996168135499005
Energy: 1.8680297278536993
Energy: 1.5996168135489603
Energy: 1.8416351751837488
Energy: 1.5996168135489603
Energy: 1.8423214251036903
Energy: 1.4978939296283578
Energy: 1.8415972176050237
Energy: 1.4978939296283578
Energy: 1.8423214251093323
Energy: 1.4978939296283578
Energy: 1.8571990036505472
Energy: 1.5996435644816462
Energy: 2.383602690770859
Energy: 1.5996435644835267
Energy: 1.8571990036533683
Energy: 1.5996435644835267
Energy: 1.842215702122356
Energy: 1.4975067640844266
Energy: 1.8376268515545255
Energy: 1.4975067640853668
Energy: 1.842215702123296
Energy: 1.4975067640853668
Energy: 1.8417513292877423
Energy: 1.5996104696207627
Energy: 1.8680492438873717
Energy: 1.5996104696198223
Energy: 1.841751329286802
Energy: 1.5996104696188822
Energy: 1.842196396121257
Energy: 1.4963301952408221
Energy: 1.8590285032044513
Energy: 1.4963301952408221
Energy: 1.842196396117496
Energy: 1.4963301952408221
Energy: 1.8422598862531998
Energy: 1.599533847184147
Energy: 1.8575264560565004
Energy: 1.5995338471832068
Energy: 1.842259886256961
Energy: 1.5995338471832068
Energy: 1.8575159527064473
Energy: 1.5995303659147728
Energy: 1.8555589723562405
Energy: 1.5995303659157132
Energy: 1.8575154309075366
Energy: 1.5995303659157132
Energy: 1.869464218393508
Energy: 1.4962551326180902
Energy: 1.8422004925189646
Energy: 1.4962551326180902
Energy: 1.8694861473293354
Energy: 1.4962551326171498
Energy: 1.8680297278555797
Energy: 1.5996168135470799
Energy: 1.8416351751809281
Energy: 1.5996168135470799
Energy: 1.8680297278546396
Energy: 1.5996168135470799
Energy: 1.8415972176031432
Energy: 1.4978939296283578
Energy: 1.842321425105571
Energy: 1.4978939296274174
Energy: 1.8415972176031432
Energy: 1.4978939296274174
Energy: 2.383602690769919
Energy: 1.5996435644825866
Energy: 1.8682288379163927
Energy: 1.5996435644816462
Energy: 2.383602690770859
Energy: 1.5996435644816462
Energy: 1.8376268515564058
Energy: 1.4975067640844266
Energy: 1.8422157021242365
Energy: 1.4975067640844266
Energy: 1.8376268515564058
Energy: 1.4975067640844266
Energy: 1.8680492438873717
Energy: 1.5996104696188822
Energy: 1.8417513292877423
Energy: 1.5996104696198223
Energy: 1.8680492438864313
Energy: 1.5996104696188822
Energy: 1.8590285032044513
Energy: 1.4963301952417625
Energy: 1.8421963961193766
Energy: 1.4963301952417625
Energy: 1.8590285032044513
Energy: 1.4963301952417625
Energy: 1.8575665074014922
Energy: 1.599533847184147
Energy: 1.8422598862579014
Energy: 1.5995338471822664
Energy: 1.8575256700873857
Energy: 1.5995338471822664
Energy: 1.8555589723562405
Energy: 1.5995303659147728
Energy: 1.8575167804012458
Energy: 1.5995303659157132
Energy: 1.8555589723562405
Energy: 1.5995303659157132
Energy: 1.8422004925170838
Energy: 1.4962551326171498
Energy: 1.8694629043537216
Energy: 1.4962551326171498
Energy: 1.8422004925170838
Energy: 1.4962551326171498
Energy: 1.8416351751809281
Energy: 1.5996168135489603
Energy: 1.8680297278536993
Energy: 1.5996168135499005
Energy: 1.8416351751818685
Energy: 1.5996168135499005
Energy: 1.8423214251074518
Energy: 1.4978939296283578
Energy: 1.8415972176050237
Energy: 1.4978939296283578
Energy: 1.8423214251093323
Energy: 1.4978939296283578
Energy: 1.8682288379154524
Energy: 1.5996435644835267
Energy: 2.383602690770859
Energy: 1.5996435644816462
Energy: 1.8682288379163927
Energy: 1.5996435644816462
Energy: 1.8422157021204755
Energy: 1.4975067640853668
Energy: 1.8376268515554657
Energy: 1.4975067640844266
Energy: 1.8422157021214156
Energy: 1.4975067640844266
Energy: 1.841751329286802
Energy: 1.5996104696198223
Energy: 1.8680492438873717
Energy: 1.5996104696207627
Energy: 1.8417513292886827
Energy: 1.599610469621682

minimum gb energy = 1.4962551326171498 eV
minimum distance =  2.27272221810795 Angstroms
sigma value = 27


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

Energy: 1.8487418394569726
Energy: 1.3252850150363813
Energy: 1.8449025934732508
Energy: 1.3252850150365911
Energy: 1.8487418394574178
Energy: 1.325285015037062
Energy: 1.838574222300164
Energy: 1.3269117948073845
Energy: 1.8464572067009273
Energy: 1.3269117948064684
Energy: 1.838574222300164
Energy: 1.3269117948069395
Energy: 1.8678707999959152
Energy: 1.6096934396858775
Energy: 1.8470814291159392
Energy: 1.6096934396870293
Energy: 1.867870799995444
Energy: 1.6096934396867935
Energy: 1.8376608320406858
Energy: 1.3263697554480316
Energy: 1.8470544382590628
Energy: 1.3263697554480316
Energy: 1.837660832039089
Energy: 1.3263697554475866
Energy: 1.8471628187691773
Energy: 1.325680200415571
Energy: 1.8402359871013347
Energy: 1.325680200417194
Energy: 1.847162818769413
Energy: 1.325680200417194
Energy: 1.8466332727457688
Energy: 1.6099072849110336
Energy: 1.8451327632388228
Energy: 1.6099072849108245
Energy: 1.8466332727462402
Energy: 1.6099072849105889
Energy: 1.8604899404879893
Energy: 1.3269162181941767
Energy: 1.8472186228853218
Energy: 1.3269162181934961
Energy: 1.8604899404870734
Energy: 1.3269162181932603
Energy: 1.8386561356554307
Energy: 1.3254500024405538
Energy: 1.8467894777556126
Energy: 1.3254500024403182
Energy: 1.8386561356556401
Energy: 1.3254500024405538
Energy: 1.8482510924558304
Energy: 1.327491174239125
Energy: 1.8407245044191447
Energy: 1.327491174239125
Energy: 1.8482510924565108
Energy: 1.3274911742393607
Energy: 1.8468496952828297
Energy: 1.6094581982902705
Energy: 1.8470401943100576
Energy: 1.6094581982907417
Energy: 1.8468496952819138
Energy: 1.6094581982909508
Energy: 1.839789676393067
Energy: 1.3274430402834518
Energy: 1.848183854148187
Energy: 1.327443040284368
Energy: 1.839789676393983
Energy: 1.3274430402841324
Energy: 1.8467264795334728
Energy: 1.3255019107328858
Energy: 1.838694191387575
Energy: 1.3255019107335664
Energy: 1.8467264795325569
Energy: 1.3255019107335664

minimum gb energy = 1.3252850150363813 eV
minimum distance =  2.282736569941 Angstroms
sigma value = 9


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

Energy: 1.8397900597371095
Energy: 1.6759194016500443
Energy: 1.8552324571624748
Energy: 1.6759194016506915
Energy: 1.839790059733874
Energy: 1.6759194016506915
Energy: 1.845912774139294
Energy: 1.621239656634895
Energy: 1.8413328476903725
Energy: 1.621239656633601
Energy: 1.845912774139294
Energy: 1.621239656633601
Energy: 1.8995474963181895
Energy: 1.6785387627432073
Energy: 1.841052534283418
Energy: 1.6785387627406188
Energy: 1.899547496316248
Energy: 1.6785387627406188
Energy: 1.848452654463535
Energy: 1.619110123993875
Energy: 1.844442212022373
Energy: 1.6191101239951693
Energy: 1.848452654463535
Energy: 1.6191101239951693
Energy: 1.8707204812561042
Energy: 1.6191689108446667
Energy: 1.7902932172639034
Energy: 1.6191689108453138
Energy: 1.87072048125934
Energy: 1.6191689108453138
Energy: 1.846504672109659
Energy: 1.7149480140450166
Energy: 1.8366048633490835
Energy: 1.7149480140469582
Energy: 1.846504672109012
Energy: 1.7149480140469582
Energy: 1.8624649573047292
Energy: 1.6165324718730967
Energy: 1.8359529624239312
Energy: 1.616532471869861
Energy: 1.8624649573047292
Energy: 1.616532471869861
Energy: 1.8350596270495516
Energy: 1.618590819786222
Energy: 1.8433989019956636
Energy: 1.6185908197868693
Energy: 1.8350596270482573
Energy: 1.6185908197875165
Energy: 1.8679312425087546
Energy: 1.6853962467396808
Energy: 1.8212363042515174
Energy: 1.6853962467396808
Energy: 1.8679312425081076
Energy: 1.6853962467390335
Energy: 1.8355833256815635
Energy: 1.6779696918380071
Energy: 1.8555557159781066
Energy: 1.6779696918393014
Energy: 1.8355833256815635
Energy: 1.6779696918399487
Energy: 1.7875662868701139
Energy: 1.5614580529197912
Energy: 1.8404204024870892
Energy: 1.561458052919144
Energy: 1.7875662868701139
Energy: 1.561458052919144
Energy: 1.8377084952888294
Energy: 1.6186184781156547
Energy: 1.8372645769222296
Energy: 1.618618478116949
Energy: 1.8377084952894764
Energy: 1.618618478116949
Energy: 1.8504880398311991
Energy: 1.7548925192874334
Energy: 1.8484970794761317
Energy: 1.7548925192887277
Energy: 1.8504880398337877
Energy: 1.7548925192880804
Energy: 1.8650993794229591
Energy: 1.6779600442345737
Energy: 1.8491642635844638
Energy: 1.677960044236515
Energy: 1.8650993794236064
Energy: 1.677960044236515
Energy: 1.8382196925701355
Energy: 1.6179114613858718
Energy: 1.8404774708123028
Energy: 1.6179114613858718
Energy: 1.838219692567547
Energy: 1.6179114613858718
Energy: 1.8451344995913255
Energy: 1.560035952112345
Energy: 1.837069293426162
Energy: 1.5600359521142866
Energy: 1.8451344995945613
Energy: 1.5600359521136393
Energy: 1.8364497756677103
Energy: 1.6770113094394603
Energy: 1.8590346286738821
Energy: 1.6770113094401073
Energy: 1.8364497756670632
Energy: 1.6770113094401073
Energy: 1.8476580141613461
Energy: 1.716130372543168
Energy: 1.8397911513685201
Energy: 1.716130372542521
Energy: 1.8476580141639347
Energy: 1.716130372542521
Energy: 1.8357466183055653
Energy: 1.6769924491258674
Energy: 1.8500849232869665
Energy: 1.6769924491271617
Energy: 1.8357466183068598
Energy: 1.6769924491271617
Energy: 1.8475259930195829
Energy: 1.6875524287169847
Energy: 1.847507755698651
Energy: 1.6875524287163375
Energy: 1.8475259930189356
Energy: 1.6875524287163375
Energy: 1.8500757233880152
Energy: 1.6769784066560696
Energy: 1.835770300917893
Energy: 1.6769784066560696
Energy: 1.850075723390604
Energy: 1.6769784066554223
Energy: 1.8398270591707955
Energy: 1.7161355591201564
Energy: 1.8475680962599763
Energy: 1.7161355591208036
Energy: 1.839827059168854
Energy: 1.7161355591208036
Energy: 1.8590548217995482
Energy: 1.6770107222216857
Energy: 1.8364847969806362
Energy: 1.6770107222197443
Energy: 1.8590548217976066
Energy: 1.677010722219097
Energy: 1.837038755695242
Energy: 1.5603552249813315
Energy: 1.8451319207854877
Energy: 1.5603552249826258
Energy: 1.8370387556965364
Energy: 1.5603552249826258
Energy: 1.8404789249381794
Energy: 1.6179257106391154
Energy: 1.8381613263234018
Energy: 1.6179257106352323
Energy: 1.8404789249381794
Energy: 1.6179257106352323
Energy: 1.8487467827472395
Energy: 1.6779716143421541
Energy: 1.8650533159065787
Energy: 1.677971614341507
Energy: 1.8487467827485338
Energy: 1.6779716143408598
Energy: 1.8483393296502637
Energy: 1.7548973025038608
Energy: 1.850458069855147
Energy: 1.754897302504508
Energy: 1.8483393296502637
Energy: 1.754897302504508
Energy: 1.8372711804465045
Energy: 1.6186176082002937
Energy: 1.8377734805328436
Energy: 1.618617608200941
Energy: 1.8372711804465045
Energy: 1.618617608200941
Energy: 1.8403996833810463
Energy: 1.5614625769987793
Energy: 1.8582191516666495
Energy: 1.5614625770000736
Energy: 1.840399683379752
Energy: 1.5614625770000736
Energy: 1.8557647725097475
Energy: 1.677983798767934
Energy: 1.8355813416689502
Energy: 1.6779837987653454
Energy: 1.8557647725091004
Energy: 1.6779837987659925
Energy: 1.8497635656213889
Energy: 1.6853962467403278
Energy: 1.867523638917926
Energy: 1.6853962467403278
Energy: 1.8497635656226832
Energy: 1.685396246740975
Energy: 1.8434554430623444
Energy: 1.61859492999501
Energy: 1.834978038156307
Energy: 1.61859492999501
Energy: 1.8434554430610501
Energy: 1.61859492999501
Energy: 1.8357913773237966
Energy: 1.616527732571058
Energy: 1.84999187781014
Energy: 1.6165277325691167
Energy: 1.8357913773244439
Energy: 1.6165277325691167
Energy: 1.836876160713006
Energy: 1.7574656264147825
Energy: 1.846499340406507
Energy: 1.7574656264141353
Energy: 1.8368761607110646
Energy: 1.7574656264147825
Energy: 1.8449143017529959
Energy: 1.6191788350024148
Energy: 1.8439993827038097
Energy: 1.6191788350024148
Energy: 1.8449143017517016
Energy: 1.6191788350024148
Energy: 1.8445066713869367
Energy: 1.6188821474488484
Energy: 1.848442546609655
Energy: 1.618882147447554
Energy: 1.8445066713869367
Energy: 1.618882147447554
Energy: 1.841020137350577
Energy: 1.6785079134334597
Energy: 1.899550366216624
Energy: 1.678507913434754
Energy: 1.8410201373525186
Energy: 1.6785079134341068
Energy: 1.8396945972567595
Energy: 1.5104322788480786
Energy: 1.8457657875892524
Energy: 1.5104322788487259
Energy: 1.8396945972554652
Energy: 1.5104322788480786
Energy: 1.9518470597293758
Energy: 1.6759194016513388
Energy: 1.839790059733874
Energy: 1.67591940165328
Energy: 1.9518470597274347
Energy: 1.6759194016539272
Energy: 1.8413328476871367
Energy: 1.6212396566329537
Energy: 1.8459127741418828
Energy: 1.6212396566342482
Energy: 1.8413328476864894
Energy: 1.621239656634895
Energy: 1.841052534283418
Energy: 1.6785387627451487
Energy: 1.8995474963156007
Energy: 1.6785387627445014
Energy: 1.8410525342853596
Energy: 1.6785387627445014
Energy: 1.8444422120178428
Energy: 1.6191101239971106
Energy: 1.8484526544628879
Energy: 1.619110123998405
Energy: 1.8444422120197843
Energy: 1.6191101239990522
Energy: 1.8452059347545466
Energy: 1.619168910846608
Energy: 1.8707204812541627
Energy: 1.6191689108472553
Energy: 1.8452059347571352
Energy: 1.6191689108472553

minimum gb energy = 1.5104322788480786 eV
minimum distance =  2.25330805632411 Angstroms
sigma value = 57


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

Energy: 1.648601635906752
Energy: 1.7189523677474607
Energy: 1.6642453123492087
Energy: 1.7189523677474607
Energy: 1.6486016359038056
Energy: 1.7189523677474607
Energy: 1.6726248000796657
Energy: 1.482148693986647
Energy: 1.6557434103972806
Energy: 1.482148693986647
Energy: 1.6726248000796657
Energy: 1.482148693986647
Energy: 1.6526108897719938
Energy: 1.598281821651032
Energy: 1.6660205299190702
Energy: 1.598281821651032
Energy: 1.6526108897734668
Energy: 1.598281821651032
Energy: 1.701962520809234
Energy: 1.5853902369178714
Energy: 1.6550942337639554
Energy: 1.5853902369178714
Energy: 1.701962520809234
Energy: 1.5853902369178714
Energy: 1.7039805476307137
Energy: 1.7190193070725805
Energy: 1.6549832131113393
Energy: 1.7190193070725805
Energy: 1.7039805476307137
Energy: 1.7190193070725805
Energy: 1.6938774116552369
Energy: 1.5984909766498465
Energy: 1.6520737457968235
Energy: 1.5984909766498465
Energy: 1.69387741165671
Energy: 1.5984909766498465
Energy: 1.6939871365576822
Energy: 1.5984649926142624
Energy: 1.6520050542484483
Energy: 1.5984649926113161
Energy: 1.6939871365562091
Energy: 1.5984649926127892
Energy: 1.7039797454620407
Energy: 1.7190233816145968
Energy: 1.6569176475100245
Energy: 1.7190233816145968
Energy: 1.7039797454620407
Energy: 1.7190233816145968
Energy: 1.7019806324462043
Energy: 1.585515316181573
Energy: 1.6551431489553288
Energy: 1.585515316181573
Energy: 1.7019806324462043
Energy: 1.585515316181573
Energy: 1.6525963695487644
Energy: 1.598298618234878
Energy: 1.666121045021651
Energy: 1.5982986182363512
Energy: 1.6525963695487644
Energy: 1.598298618237791
Energy: 1.6724879424263615
Energy: 1.4821486939910664
Energy: 1.6551475339839827
Energy: 1.4821486939895934
Energy: 1.6724879424248882
Energy: 1.4821486939895934
Energy: 1.6486016359038056
Energy: 1.7189523677489338
Energy: 1.6968767822905821
Energy: 1.7189523677474607
Energy: 1.6486016359052786
Energy: 1.7189523677474607
Energy: 1.6726248000796657
Energy: 1.482148693986647
Energy: 1.6557434103972806
Energy: 1.482148693986647
Energy: 1.6726248000796657
Energy: 1.482148693986647
Energy: 1.6526108897734668
Energy: 1.598281821652505
Energy: 1.6660205299190702
Energy: 1.598281821652505
Energy: 1.6526108897734668
Energy: 1.598281821652505
Energy: 1.701962520810707
Energy: 1.5853902369178714
Energy: 1.6870141453730132
Energy: 1.5853902369163981
Energy: 1.701962520809234
Energy: 1.5853902369163981
Energy: 1.7039805476307137
Energy: 1.7190193070740536
Energy: 1.6549832131113393
Energy: 1.7190193070725805
Energy: 1.7039805476307137
Energy: 1.7190193070740536
Energy: 1.6938774116552369
Energy: 1.5984909766498465
Energy: 1.6520737457968235
Energy: 1.5984909766469002
Energy: 1.6938774116552369
Energy: 1.5984909766483733
Energy: 1.6939871365576822
Energy: 1.5984649926127892
Energy: 1.6520050542484483
Energy: 1.5984649926142624
Energy: 1.6939871365576822
Energy: 1.5984649926142624
Energy: 1.703979745463514
Energy: 1.7190233816145968
Energy: 1.6885003257774445
Energy: 1.7190233816145968
Energy: 1.7039797454620407
Energy: 1.7190233816145968

minimum gb energy = 1.482148693986647 eV
minimum distance =  2.22576492131428 Angstroms
sigma value = 11


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

Energy: 1.4208854740853494
Energy: 1.6238957836356993
Energy: 1.4430504383414031
Energy: 1.6238957836367784
Energy: 1.420885474083191
Energy: 1.6238957836367784
Energy: 1.4080290648456943
Energy: 1.4438388512578655
Energy: 1.4093405907391627
Energy: 1.4438388512589444
Energy: 1.4080290648456943
Energy: 1.4438388512578655
Energy: 1.4408310890345393
Energy: 1.5489672208629568
Energy: 1.438829584395514
Energy: 1.5489672208618779
Energy: 1.4408310890345393
Energy: 1.5489672208618779
Energy: 1.4265005445315815
Energy: 1.4836820533679793
Energy: 1.4094368399745467
Energy: 1.4836820533679793
Energy: 1.4265005445315815
Energy: 1.4836820533690585
Energy: 1.4070500320809234
Energy: 1.62427823401388
Energy: 1.4344318267814877
Energy: 1.62427823401388
Energy: 1.4070500320798442
Energy: 1.62427823401388
Energy: 1.4485846084422118
Energy: 1.5652756115050692
Energy: 1.411533555955894
Energy: 1.5652756115072273
Energy: 1.4485846084422118
Energy: 1.5652756115083064
Energy: 1.4507330402981693
Energy: 1.5492633530485196
Energy: 1.4081246561528358
Energy: 1.5492633530442033
Energy: 1.4507330402960112
Energy: 1.5492633530452826
Energy: 1.4512981242095744
Energy: 1.6247465639645413
Energy: 1.3931328241066738
Energy: 1.6247465639677787
Energy: 1.4512981242095744
Energy: 1.6247465639677787
Energy: 1.4520564688357913
Energy: 1.6242283709248555
Energy: -0.10692410577206277
Energy: 1.6242283709248555
Energy: 1.452056468833633
Energy: 1.6242283709248555
Energy: 1.4492269210661368
Energy: 1.5482616960494997
Energy: 1.4096416257574578
Energy: 1.5482616960473412
Energy: 1.449226921067216
Energy: 1.5482616960484203
Energy: 1.4499537352669698
Energy: 1.5649673444183738
Energy: 1.4098907466750896
Energy: 1.564967344421611
Energy: 1.4499537352669698
Energy: 1.564967344420532
Energy: 1.40704887637799
Energy: 1.6241935186850256
Energy: 1.4102596763171962
Energy: 1.6241935186828673
Energy: 1.4070488763801483
Energy: 1.6241935186828673
Energy: 1.446445455148977
Energy: 1.4832624042216034
Energy: 1.434081494436301
Energy: 1.4832624042248408
Energy: 1.446445455148977
Energy: 1.48326240422592
Energy: 1.4079197026196093
Energy: 1.547900205383756
Energy: 1.4403778958920164
Energy: 1.5479002053826771
Energy: 1.4079197026217676
Energy: 1.547900205383756
Energy: 1.4077648702311465
Energy: 1.443329067101635
Energy: 1.4075780856388886
Energy: 1.443329067103793
Energy: 1.407764870227909
Energy: 1.4433290671048722
Energy: 1.404859311868865
Energy: 1.6246859252501333
Energy: 1.4475513312862758
Energy: 1.6246859252479753
Energy: 1.4048593118721022
Energy: 1.6246859252490544
Energy: 1.4241699140672586
Energy: 1.4452776599164472
Energy: 1.444870459953617
Energy: 1.445277659915368
Energy: 1.4241699140694168
Energy: 1.4452776599142891
Energy: 1.4103731426806414
Energy: 1.547884125613256
Energy: 1.439987726787086
Energy: 1.547884125613256
Energy: 1.4103731426806414
Energy: 1.547884125613256
Energy: 1.425510184731652
Energy: 1.4854715214449923
Energy: 1.407464979913731
Energy: 1.4854715214449923
Energy: 1.425510184732731
Energy: 1.4854715214449923
Energy: 1.4070322475124137
Energy: 1.6246494970045
Energy: 1.4456621905315077
Energy: 1.6246494970034207
Energy: 1.4070322475145718
Energy: 1.6246494970034207
Energy: 1.4537451256159064
Energy: 1.565367341831465
Energy: 1.4138138415181127
Energy: 1.565367341832544
Energy: 1.4537451256191434
Energy: 1.565367341832544
Energy: 1.4491900357307494
Energy: 1.5481796138270465
Energy: 1.4071981840373258
Energy: 1.5481796138238093
Energy: 1.4491900357329075
Energy: 1.5481796138238093
Energy: 1.4519584624207038
Energy: 1.6257230746003746
Energy: 1.3956103020451631
Energy: 1.6257230746036118
Energy: 1.4519584624196247
Energy: 1.6257230746036118
Energy: 1.4072182532032833
Energy: 1.622430440814757
Energy: 1.40651628012497
Energy: 1.622430440814757
Energy: 1.4072182532043627
Energy: 1.622430440814757
Energy: 1.4456048509544643
Energy: 1.545245340402033
Energy: 1.4124131819856454
Energy: 1.5452453404009538
Energy: 1.4456048509566224
Energy: 1.5452453404009538
Energy: 1.4482988919082826
Energy: 1.563096743028215
Energy: 1.4073969541020324
Energy: 1.563096743030373
Energy: 1.4482988919104407
Energy: 1.5630967430292941

minimum gb energy = -0.10692410577206277 eV
minimum distance =  2.27250791753687 Angstroms
sigma value = 41


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

Energy: 1.7437754716791096
Energy: 1.5388636204739503
Energy: 1.2561927590507822
Energy: 1.5388636204713986
Energy: 1.7437754716782592
Energy: 1.5388636204713986
Energy: 1.2137137842534553
Energy: 1.2841386023468224
Energy: 1.2131830282522447
Energy: 1.2841386023468224
Energy: 1.2137137842534553
Energy: 1.2841386023468224
Energy: 1.194331670969341
Energy: 1.4741044878010614
Energy: 1.2517887084299608
Energy: 1.474104487801912
Energy: 1.1943316709684906
Energy: 1.474104487801912
Energy: 1.236109340553679
Energy: 1.327779856188242
Energy: 1.2134809959513297
Energy: 1.327779856189943
Energy: 1.23610934055538
Energy: 1.327779856189943
Energy: 1.2276645077057133
Energy: 1.2263141475164496
Energy: 0.19172339885616133
Energy: 1.2263141475147485
Energy: 1.2276645077073758
Energy: 1.226314147515599
Energy: 1.263624628482004
Energy: 1.4158872375686262
Energy: 1.2133452997480279
Energy: 1.4158872375686262
Energy: 1.2636246284828547
Energy: 1.4158872375686262
Energy: 1.2127954862879209
Energy: 1.4741503266298315
Energy: 1.2122902873575625
Energy: 1.4741503266281304
Energy: 1.2127954862870705
Energy: 1.4741503266281304
Energy: 1.262116589176572
Energy: 1.4719244851639601
Energy: 1.1752560059872244
Energy: 1.4719244851648106
Energy: 1.2621165891774224
Energy: 1.4719244851648106
Energy: 1.2679348999597846
Energy: 1.2251360177980049
Energy: 0.20591041514930294
Energy: 1.2251360177971542
Energy: 1.2679348999589342
Energy: 1.2251360177971542
Energy: 1.260935591122328
Energy: 1.4746051807041853
Energy: 1.1701815416056633
Energy: 1.4746051807050358
Energy: 1.2609355911214775
Energy: 1.4746051807050358
Energy: 1.2602995951836036
Energy: 1.4753228460662107
Energy: 1.1724802814546218
Energy: 1.4753228460662107
Energy: 1.2602995951853044
Energy: 1.4753228460662107
Energy: 1.265295563278167
Energy: 1.4938730905905635
Energy: 1.1751595981202396
Energy: 1.4938730905914144
Energy: 1.265295563278167
Energy: 1.4938730905914144
Energy: 1.2677750256094915
Energy: 1.4212434338111242
Energy: 0.20794906011025288
Energy: 1.4212434338102737
Energy: 1.2677750256094915
Energy: 1.4212434338111242
Energy: 1.212562949880277
Energy: 1.4746691393539935
Energy: 1.2138009404782386
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Energy: 1.212562949878576
Energy: 1.4746691393539935
Energy: 1.2648040607283308
Energy: 1.4139950773812089
Energy: 1.2124825559272587
Energy: 1.4139950773812089
Energy: 1.2648040607266298
Energy: 1.4139950773803582
Energy: 1.222335278933812
Energy: 1.472058850415528
Energy: 1.2128055745185276
Energy: 1.472058850415528
Energy: 1.2223352789329613
Energy: 1.472058850415528
Energy: 1.212425898211176
Energy: 1.3642625900833718
Energy: 0.19062051445744063
Energy: 1.3642625900842225
Energy: 1.212425898211176
Energy: 1.3642625900850731
Energy: 1.177931545526791
Energy: 1.474682134112957
Energy: 1.255895351540215
Energy: 1.4746821341138074
Energy: 1.177931545526791
Energy: 1.4746821341138074
Energy: 1.2144258696573018
Energy: 1.2822622382486042
Energy: 1.2121557062365844
Energy: 1.2822622382486042
Energy: 1.214425869659003
Energy: 1.2822622382477538
Energy: 1.1727993421945897
Energy: 1.4717679612796926
Energy: 1.264418581206464
Energy: 1.4717679612796926
Energy: 1.1727993421911878
Energy: 1.4717679612805432
Energy: 1.2032002199631604
Energy: 1.2904231825486963
Energy: 1.2631913140709616
Energy: 1.290423182549547
Energy: 1.203200219964011
Energy: 1.290423182549547
Energy: 1.1917351793434785
Energy: 1.474667040117203
Energy: 1.2538419375693726
Energy: 1.474667040117203
Energy: 1.191735179342628
Energy: 1.474667040117203
Energy: 1.2608620894703526
Energy: 1.2609376884097534
Energy: 1.2119397616161607
Energy: 1.2609376884097534
Energy: 1.2608620894720535
Energy: 1.260937688408903
Energy: 1.2219683786118576
Energy: 1.4223891710104424
Energy: 1.2607658536689967
Energy: 1.4223891710104424
Energy: 1.221968378612708
Energy: 1.4223891710104424
Energy: 1.2633802799010734
Energy: 1.4215600970578917
Energy: 1.2166829920617421
Energy: 1.4215600970578917
Energy: 1.2633802799019238
Energy: 1.4215600970570412
Energy: 1.212312281036182
Energy: 1.2597537950426787
Energy: 1.212912204482038
Energy: 1.2597537950426787
Energy: 1.212312281036182
Energy: 1.2597537950443798
Energy: 1.261914271050301
Energy: 1.475054880459446
Energy: 1.1756375319986767
Energy: 1.475054880457745
Energy: 1.261914271050301
Energy: 1.475054880457745
Energy: 1.265623683593296
Energy: 1.429464201935366
Energy: 1.2124312773968038
Energy: 1.4294642019345156
Energy: 1.2656236835941463
Energy: 1.4294642019345156
Energy: 1.260562792255413
Energy: 1.4750345863335794
Energy: 1.170503099255934
Energy: 1.4750345863335794
Energy: 1.2605627922537121
Energy: 1.4750345863335794
Energy: 1.2125902718376609
Energy: 1.2543045544013922
Energy: 1.17432032979194
Energy: 1.2543045544022426
Energy: 1.2125902718385113
Energy: 1.2543045544013922
Energy: 1.262549192197466
Energy: 1.4750677353368424
Energy: 1.1758564806134164
Energy: 1.4750677353385437
Energy: 1.2625491921949148
Energy: 1.4750677353385437
Energy: 1.265190604094146
Energy: 1.4369465217335529
Energy: 1.2118405053513854
Energy: 1.4369465217335529
Energy: 1.265190604094146
Energy: 1.4369465217327024
Energy: 1.212897940801487
Energy: 1.475046079290039
Energy: 1.2168181781842051
Energy: 1.475046079290039
Energy: 1.2128979408023375
Energy: 1.475046079290039

minimum gb energy = 0.19062051445744063 eV
minimum distance =  2.26951048196924 Angstroms
sigma value = 33


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

Energy: 1.3332670028756115
Energy: 1.2393207698098518
Energy: 1.0202135610730578
Energy: 1.2393207698092552
Energy: 1.3332670028768052
Energy: 1.2393207698092552
Energy: 0.9766335618505456
Energy: 1.089754459367798
Energy: 0.9924272656022028
Energy: 1.089754459366604
Energy: 0.9766335618523364
Energy: 1.089754459367201
Energy: 1.3509505880874972
Energy: 1.246981668322662
Energy: 1.017683988487413
Energy: 1.2469816683190806
Energy: 1.3509505880857064
Energy: 1.2469816683196775
Energy: 0.9847148596423119
Energy: 1.018035028644198
Energy: 0.9924243091425591
Energy: 1.0180350286424071
Energy: 0.9847148596441025
Energy: 1.018035028643004
Energy: 0.969022368015453
Energy: 1.2184863554422998
Energy: -0.3875476222587195
Energy: 1.2184863554422998
Energy: 0.969022368015453
Energy: 1.2184863554422998
Energy: 0.9941040153413722
Energy: 1.029156982149242
Energy: 0.9926900322775184
Energy: 1.029156982149839
Energy: 0.9941040153383877
Energy: 1.0291569821480482
Energy: 0.9791787671842016
Energy: 1.215173367469556
Energy: 0.993907469470604
Energy: 1.2151733674725405
Energy: 0.9791787671824108
Energy: 1.2151733674719436
Energy: 1.00640338547577
Energy: 0.993638121462176
Energy: 0.975177775690101
Energy: 0.993638121462176
Energy: 1.006403385475173
Energy: 0.9936381214615793
Energy: 0.9760692051743032
Energy: 1.2181999156843675
Energy: -0.3170564518146426
Energy: 1.2181999156861583
Energy: 0.9760692051743032
Energy: 1.2181999156861583
Energy: 1.020754544030695
Energy: 1.221252462245419
Energy: 1.3288790531739272
Energy: 1.221252462246613
Energy: 1.0207545440318888
Energy: 1.221252462246613
Energy: 0.993871584491167
Energy: 1.215015993447394
Energy: 1.325152404422532
Energy: 1.215015993446797
Energy: 0.993871584491764
Energy: 1.2150159934462001
Energy: 1.0273859008625283
Energy: 1.24701785491238
Energy: 1.3336621345585635
Energy: 1.2470178549147675
Energy: 1.0273859008583497
Energy: 1.2470178549147675
Energy: 0.9959334445742388
Energy: 1.2180735478354991
Energy: 0.2673212148226169
Energy: 1.2180735478337084
Energy: 0.995933444565882
Energy: 1.2180735478337084
Energy: 1.1975558116294684
Energy: 1.2511682028446054
Energy: 0.9588486067923592
Energy: 1.2511682028469933
Energy: 1.197555811628275
Energy: 1.2511682028469933
Energy: 1.0222574804447597
Energy: 1.2146746754033702
Energy: 0.9584075022305784
Energy: 1.214674675405758
Energy: 1.0222574804441629
Energy: 1.214674675405758
Energy: 1.1654922198788205
Energy: 1.2473106059733778
Energy: 1.33426922622302
Energy: 1.2473106059733778
Energy: 1.1654922198776267
Energy: 1.2473106059733778
Energy: 0.9956818824289717
Energy: 1.2177833986741957
Energy: 0.2534723617642043
Energy: 1.217783398671808
Energy: 0.9956818824307624
Energy: 1.2177833986712112
Energy: 0.9930924812583983
Energy: 1.2506823441488932
Energy: 1.3293471258907328
Energy: 1.2506823441488932
Energy: 0.9930924812595922
Energy: 1.2506823441488932
Energy: 1.021469109932071
Energy: 1.201883095004692
Energy: 1.3257675613558657
Energy: 1.201883095004095
Energy: 1.0214691099314739
Energy: 1.201883095003498
Energy: 0.9758066272102746
Energy: 1.2474041740285458
Energy: 0.9759818579175846
Energy: 1.2474041740279487
Energy: 0.9758066272096777
Energy: 1.2474041740279487
Energy: 1.0164075939885868
Energy: 1.195447486642916
Energy: 0.1764600012183549
Energy: 1.1954474866459006
Energy: 1.0164075939844086
Energy: 1.1954474866459006
Energy: 0.9768776169225841
Energy: 1.2507998708288188
Energy: 0.9927138468138048
Energy: 1.2507998708312063
Energy: 0.9768776169249719
Energy: 1.2507998708312063
Energy: 0.9940616480320389
Energy: 1.1806540236302254
Energy: 0.9932120717844547
Energy: 1.180654023633807
Energy: 0.9940616480344263
Energy: 1.1806540236332101
Energy: 0.96812617587578
Energy: 1.2438703569589813
Energy: 0.9935901997784556
Energy: 1.2438703569583847
Energy: 0.9681261758751829
Energy: 1.2438703569583847
Energy: 0.9755399249577109
Energy: 1.1951840349814122
Energy: -0.12282958378887873
Energy: 1.1951840349778309
Energy: 0.9755399249577109
Energy: 1.1951840349778309
Energy: 1.3197193087110912
Energy: 1.2507900898788242
Energy: 1.0278829068870146
Energy: 1.250790089879421
Energy: 1.3197193087093004
Energy: 1.250790089879421
Energy: 0.9785670212944424
Energy: 1.016121607012957
Energy: 0.9931311110082566
Energy: 1.0161216070165384
Energy: 0.9785670212980239
Energy: 1.0161216070171353
Energy: 1.3199262016494355
Energy: 1.24404756600115
Energy: 1.024792215193792
Energy: 1.2440475660005532
Energy: 1.3199262016476447
Energy: 1.2440475660005532
Energy: 0.9752885089545468
Energy: 1.1940816898859914
Energy: 1.1669575416083258
Energy: 1.1940816898865885
Energy: 0.9752885089563375
Energy: 1.1940816898871853
Energy: 1.3195864234712558
Energy: 1.2508646754128503
Energy: 1.0089807468091119
Energy: 1.2508646754116566
Energy: 1.3195864234748371
Energy: 1.2508646754104624
Energy: 1.0056878593515017
Energy: 1.0157351080163641
Energy: 0.9929905028545356
Energy: 1.015735108018155
Energy: 1.0056878593485172
Energy: 1.015735108018155
Energy: 0.9683648438975395
Energy: 1.2236151089307135
Energy: 1.0255426776554148
Energy: 1.223615108928923
Energy: 0.9683648438993303
Energy: 1.2236151089295197
Energy: 1.16273884789943
Energy: 1.1970968110984608
Energy: 0.9755659495222236
Energy: 1.197096811097267
Energy: 1.162738847897639
Energy: 1.197096811097864
Energy: 0.9773796141092397
Energy: 1.2155774586723769
Energy: 1.021762741258963
Energy: 1.215577458670586
Energy: 0.9773796141080457
Energy: 1.215577458670586
Energy: 1.0218158351558688
Energy: 1.2153923316358752
Energy: 0.9766907207983369
Energy: 1.2153923316376656
Energy: 1.021815835155272
Energy: 1.2153923316382627
Energy: 0.9753700253518247
Energy: 1.19711342443415
Energy: 1.1629275809203317
Energy: 1.1971134244305683
Energy: 0.9753700253476465
Energy: 1.1971134244311652
Energy: 1.0256195304523144
Energy: 1.2236137917623058
Energy: 0.9682749254806444
Energy: 1.2236137917634995
Energy: 1.0256195304523144
Energy: 1.2236137917640963
Energy: 0.9929969222458502
Energy: 1.0156468965583099
Energy: 1.0055125571342423
Energy: 1.015646896557713
Energy: 0.9929969222470442
Energy: 1.015646896557713
Energy: 1.0089807468055305
Energy: 1.2508557371994147
Energy: 1.3193553516288967
Energy: 1.2508557372000115
Energy: 1.0089807468061271
Energy: 1.2508557372006084
Energy: 1.1555121536686026
Energy: 1.194065144915366
Energy: 0.9753077869083616
Energy: 1.1940651449177537
Energy: 1.1555121536662147
Energy: 1.19406514491656
Energy: 1.024240154759828
Energy: 1.2437807456361518
Energy: 1.3196608461176036
Energy: 1.2437807456325705
Energy: 1.024240154760425
Energy: 1.2437807456325705
Energy: 0.9931036843272726
Energy: 1.0161351867599324
Energy: 0.9785507958124402
Energy: 1.01613518676232
Energy: 0.9931036843272726
Energy: 1.01613518676232
Energy: 1.0278402084503475
Energy: 1.2508338328793376
Energy: 1.3193181673535332
Energy: 1.2508338328787407
Energy: 1.0278402084509446
Energy: 1.2508338328787407
Energy: 1.1556301996346292
Energy: 1.195078962340152
Energy: 0.9763569740632568
Energy: 1.195078962341346
Energy: 1.1556301996358231
Energy: 1.195078962341346
Energy: 0.9939098922165781
Energy: 1.2438629097623102
Energy: 0.9681170057219657
Energy: 1.2438629097611162
Energy: 0.993909892218369
Energy: 1.243862909761713
Energy: 0.9932057915873537
Energy: 1.1806540236344039
Energy: 0.9937628188023311
Energy: 1.1806540236344039
Energy: 0.9932057915885474
Energy: 1.1806540236350012
Energy: 0.9928513946050903
Energy: 1.2508044257687314
Energy: 0.976948795930808
Energy: 1.2508044257693285
Energy: 0.9928513946044933
Energy: 1.2508044257693285

minimum gb energy = -0.3875476222587195 eV
minimum distance =  2.28011468357123 Angstroms
sigma value = 67


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

Energy: 0.22079907199956125
Energy: 0.22084831684256645
Energy: 0.11169790615377036
Energy: 0.22084831684256645
Energy: 0.22079907199956125
Energy: 0.22084831684256645
Energy: 0.21894845097537408
Energy: -0.42114371567128484
Energy: 0.24208865780814062
Energy: -0.4211437156709222
Energy: 0.21894845097458074
Energy: -0.4211437156709222
Energy: 0.22079907199874524
Energy: 0.22084831684215842
Energy: 0.11169368335153514
Energy: 0.22084831684256645
Energy: 0.22079907199956125
Energy: 0.22084831684256645
Energy: 0.21894845097619006
Energy: -0.42114371567128484
Energy: 0.242091693100311
Energy: -0.4211437156716928
Energy: 0.21894845097537408
Energy: -0.42114371567128484
Energy: 0.22079907199874524
Energy: 0.22084831684215842
Energy: 1.1326574839293768
Energy: 0.22084831684256645
Energy: 0.22079907199874524
Energy: 0.22084831684256645
Energy: 0.2189484509777767
Energy: -0.4211437156709222
Energy: 0.24208812750212827
Energy: -0.42114371567128484
Energy: 0.21894845097578208
Energy: -0.4211437156716928
Energy: 0.22079907199915322
Energy: 0.22084831684215842
Energy: -0.286838488168032
Energy: 0.22084831684215842
Energy: 0.2207990719979519
Energy: 0.22084831684256645

minimum gb energy = -0.4211437156716928 eV
minimum distance =  2.42305197686832 Angstroms
sigma value = 3


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

Energy: 0.8708633661276611
Energy: 1.2571059348514788
Energy: 1.0480244752424004
Energy: 1.257105934852022
Energy: 0.8708633661249466
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Energy: 0.8520652087805554
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Energy: 0.8613662682342356
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Energy: 1.2077100051638971
Energy: 1.2320180785483603
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Energy: 1.2320180785489034
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Energy: 1.077711247177764
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Energy: 1.0500454784843698
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Energy: 1.2406585588236745
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Energy: 0.8633077850605795
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Energy: 0.8603811056897039
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Energy: 0.8628450019775131
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Energy: 1.2313678622928637
Energy: 0.8440975485314351
Energy: 1.231367862291778
Energy: 0.8604284409327085
Energy: 1.2209680197147261
Energy: 0.8735886617612456
Energy: 1.2209680197158117
Energy: 0.8604284409327085
Energy: 1.2209680197158117
Energy: 1.0552671035347718
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Energy: 0.8625913305388203
Energy: 1.2391786181607538
Energy: 1.0552671035396577
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Energy: 1.0547966780488143
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Energy: 1.0367006291995335
Energy: 1.2183902254209142
Energy: 1.0547966780509854
Energy: 1.2183902254203711
Energy: 0.8718806667016095
Energy: 1.2311457787028421
Energy: 0.8742376178544697
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Energy: 0.871880666703781
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Energy: 0.8623626241474601
Energy: 1.2322946216562838
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Energy: 1.2324844552073615
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Energy: 0.8573660957384946
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Energy: 1.0527916841949347
Energy: 1.2159750729304024
Energy: 0.8622468386447355
Energy: 1.2159750729336596
Energy: 1.052791684194392
Energy: 1.2159750729336596
Energy: 0.842843835351873
Energy: 1.21753017534008
Energy: 0.87269483543281
Energy: 1.2175301753411656
Energy: 0.8428438353491587
Energy: 1.217530175340623
Energy: 1.0447640473910254
Energy: 1.2328094200129949
Energy: 0.861930254614615
Energy: 1.2328094200146233
Energy: 1.0447640473948256
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Energy: 0.8492467777850438
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Energy: 1.2081185595172024
Energy: 1.203381463912795
Energy: 0.849246777783958
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Energy: 0.8599040726600692
Energy: 1.215654643620975
Energy: 0.8625996813660204
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Energy: 1.200181399438354
Energy: 0.8603360588748445
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Energy: 0.8636848348891604
Energy: 1.2324848603064036
Energy: 0.855772687271747
Energy: 1.2324848603047749
Energy: 0.8636848348891604
Energy: 1.2324848603053176
Energy: 0.8614712638234279
Energy: 1.1737296849288033
Energy: 0.8648166486537722
Energy: 1.173729684929346
Energy: 0.8614712638223421
Energy: 1.173729684929346
Energy: 0.863009726539547
Energy: 1.215812485105626
Energy: 0.8573772641758497
Energy: 1.215812485105626
Energy: 0.8630097265411757
Energy: 1.2158124851050833
Energy: 0.8618569998035804
Energy: 1.1848742310087947
Energy: 1.0419719487699615
Energy: 1.1848742310093379
Energy: 0.8618569998057519
Energy: 1.1848742310087947
Energy: 0.872973739049198
Energy: 1.233389623582014
Energy: 1.2507377350349012
Energy: 1.2333896235825572
Energy: 0.872973739049198
Energy: 1.233389623582014
Energy: 0.8613884433111163
Energy: 0.893014705765173
Energy: 1.0624355344665937
Energy: 0.8930147057635442
Energy: 0.8613884433127449
Energy: 0.8930147057635442
Energy: 0.8736251744089693
Energy: 1.2594463657825006
Energy: 1.2477224961949793
Energy: 1.2594463657846722
Energy: 0.8736251744062549
Energy: 1.2594463657857577
Energy: 0.8614031910231951
Energy: 0.894572562678199
Energy: 1.0777411616336596
Energy: 0.8945725626765703
Energy: 0.8614031910248238
Energy: 0.8945725626765703
Energy: 0.8961580742920204
Energy: 1.233334521990449
Energy: 1.2509243594369155
Energy: 1.2333345219899063
Energy: 0.8961580742931063
Energy: 1.2333345219899063
Energy: 0.8610790154487427
Energy: 0.8729275566572937
Energy: 1.0633881940584888
Energy: 0.8729275566562079
Energy: 0.8610790154514569
Energy: 0.8729275566562079
Energy: 0.8737297278522929
Energy: 1.2159076317467354
Energy: 0.8585546025732045
Energy: 1.2159076317456494
Energy: 0.8737297278550072
Energy: 1.2159076317456494
Energy: 0.8613839130622624
Energy: 1.1743210284527321
Energy: 1.0423145963913527
Energy: 1.1743210284565322
Energy: 0.8613839130617195
Energy: 1.1743210284570749
Energy: 0.8760810077935675
Energy: 1.2038661916374713
Energy: 0.8549700051056023
Energy: 1.2038661916358426
Energy: 0.8760810077930246
Energy: 1.2038661916358426

minimum gb energy = 0.8428438353491587 eV
minimum distance =  2.29121464085146 Angstroms
sigma value = 81


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

Energy: 0.9735582223859534
Energy: 1.5080992391465498
Energy: 1.0013288855746725
Energy: 1.5080992391458048
Energy: 0.9735582223881886
Energy: 1.5080992391458048
Energy: 0.9810525170900296
Energy: 1.0486713406344428
Energy: 0.979868567686946
Energy: 1.0486713406344428
Energy: 0.9810525170900296
Energy: 1.0486713406344428
Energy: 0.9737213265263359
Energy: 1.471423330353391
Energy: 1.2170234210348254
Energy: 1.471423330354136
Energy: 0.9737213265352771
Energy: 1.471423330354136
Energy: 0.9862157425633836
Energy: 0.9997504256218421
Energy: 0.9801389159553656
Energy: 0.9997504256210971
Energy: 0.9862157425648738
Energy: 0.9997504256210971
Energy: 0.9625045265769261
Energy: 1.4265128650601877
Energy: 0.9903610996423108
Energy: 1.4265128650601877
Energy: 0.9625045265761809
Energy: 1.4265128650601877
Energy: 0.9883568431766677
Energy: 1.4194075580661343
Energy: 0.9797658262838849
Energy: 1.4194075580661343
Energy: 0.9883568431766677
Energy: 1.4194075580661343
Energy: 0.9801655798941449
Energy: 1.4263584479177016
Energy: 0.9844283660959071
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Energy: 0.980165579895635
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Energy: 1.0008801459213512
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Energy: 0.9638260397344259
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Energy: 1.0008801459064836
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Energy: 0.9798295184435473
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Energy: 0.9765829072134823
Energy: 1.2154859807933196
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Energy: 1.048191955179979
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Energy: 1.0481919551777439
Energy: 1.4640282819412658
Energy: 1.0005363914435141
Energy: 1.2273351803457595
Energy: 0.9773795923600674
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Energy: 1.000536391442024
Energy: 1.2273351803472496
Energy: 1.001459260264083
Energy: 1.5021702158888615
Energy: 0.9799062168355094
Energy: 1.5021702158910968
Energy: 1.0014592602633379
Energy: 1.502170215891842
Energy: 0.9805068405497884
Energy: 1.4438780198040853
Energy: 0.975795213058916
Energy: 1.4438780198048307
Energy: 0.980506840546808
Energy: 1.4438780198048307
Energy: 1.0009915736396018
Energy: 1.4637784266869753
Energy: 0.9735204605853149
Energy: 1.4637784266869753
Energy: 1.0009915736396018
Energy: 1.4637784266869753
Energy: 1.0004377259170605
Energy: 1.438958587822301
Energy: 0.982774179447147
Energy: 1.4389585878237912
Energy: 1.0004377259185506
Energy: 1.4389585878237912
Energy: 0.9825413735446771
Energy: 1.5029912042457723
Energy: 0.9637243367108557
Energy: 1.5029912042457723
Energy: 0.9825413735432207
Energy: 1.5029912042457723
Energy: 0.9805561960293442
Energy: 1.4212039877978053
Energy: 1.1283903645191529
Energy: 1.4212039878007858
Energy: 0.9805561960293442
Energy: 1.4212039878007858
Energy: 0.9766609560468452
Energy: 1.46511732046461
Energy: 0.9805560647555251
Energy: 1.4651173204631198
Energy: 0.9766609560490803
Energy: 1.4651173204623746
Energy: 0.9855480928174457
Energy: 1.4509812577641006
Energy: 1.0006551658251615
Energy: 1.4509812577648458
Energy: 0.9855480928174457
Energy: 1.4509812577648458
Energy: 0.9676139858140034
Energy: 1.5030189109506695
Energy: 0.980801186894929
Energy: 1.5030189109484342
Energy: 0.9676139858125132
Energy: 1.5030189109484342
Energy: 0.9676521334302217
Energy: 1.4650180457145834
Energy: 0.989011277061095
Energy: 1.4650180457138382
Energy: 0.9676521334302217
Energy: 1.4650180457138382
Energy: 0.9684373065303988
Energy: 1.4653896834801776
Energy: 1.0006436975233037
Energy: 1.4653896834786875
Energy: 0.9684373065311438
Energy: 1.4653896834794324
Energy: 0.9686135281021252
Energy: 1.4651820105587507
Energy: 1.0006449785668083
Energy: 1.4651820105572606
Energy: 0.9686135281013801
Energy: 1.4651820105565156
Energy: 0.9675578806030112
Energy: 1.4650281986364586
Energy: 0.9892320790622603
Energy: 1.4650281986342233
Energy: 0.9675578806037562
Energy: 1.4650281986342233
Energy: 0.9676218670051342
Energy: 1.5029905664710557
Energy: 0.9808188101358616
Energy: 1.5029905664710557
Energy: 0.9676218670058793
Energy: 1.5029905664710557
Energy: 0.9855748772935742
Energy: 1.4509777664676582
Energy: 1.000601395755353
Energy: 1.4509777664698935
Energy: 0.9855748772898487
Energy: 1.4509777664698935
Energy: 0.9766684618344461
Energy: 1.4651224458496386
Energy: 0.9806591917333322
Energy: 1.4651224458488934
Energy: 0.976668461833701
Energy: 1.4651224458496386
Energy: 0.9805748350336199
Energy: 1.4211909557329314
Energy: 0.9896197611431837
Energy: 1.4211909557314413
Energy: 0.9805748350328747
Energy: 1.4211909557314413
Energy: 0.9824273773598056
Energy: 1.503003911528527
Energy: 0.9638001021783217
Energy: 1.503003911529272
Energy: 0.9824273773598056
Energy: 1.503003911529272
Energy: 1.0004281636063954
Energy: 1.4389585878208109
Energy: 0.982746386171203
Energy: 1.4389585878208109
Energy: 1.0004281636101209
Energy: 1.4389585878208109
Energy: 1.0010169996230012
Energy: 1.4639515907357157
Energy: 0.9736887939353924
Energy: 1.4639515907334804
Energy: 1.0010169996230012
Energy: 1.4639515907342255
Energy: 0.9801993704894358
Energy: 1.4438691242885195
Energy: 0.9724495068773316
Energy: 1.4438691242885195
Energy: 0.9801993704901809
Energy: 1.4438691242885195
Energy: 1.0014354859828365
Energy: 1.502155529043724
Energy: 0.9796559847350556
Energy: 1.5021555290466706
Energy: 1.0014354859820913
Energy: 1.5021555290466706
Energy: 1.0005272335441286
Energy: 1.2273289530523985
Energy: 0.9775305081535678
Energy: 1.2273289530546
Energy: 1.0005272335448738
Energy: 1.2273289530546
Energy: 1.0481919551807244
Energy: 1.4640045329074258
Energy: 0.9740543216479091
Energy: 1.4640045329074258
Energy: 1.0481919551829597
Energy: 1.4640045329066809
Energy: 0.9798638613060258
Energy: 1.2155959121665039
Energy: 0.9712428942241716
Energy: 1.2155959121657587
Energy: 0.9798638613067708
Energy: 1.2155959121665039
Energy: 1.0008698022840514
Energy: 1.4217364453331967
Energy: 0.9636207682177825
Energy: 1.4217364453324515
Energy: 1.000869802281816
Energy: 1.4217364453317065
Energy: 0.9801860556395154
Energy: 1.4264072305478537
Energy: 0.9848141386964402
Energy: 1.4264072305515791
Energy: 0.9801860556380253
Energy: 1.4264072305515791

minimum gb energy = 0.9625045265761809 eV
minimum distance =  2.27264178916387 Angstroms
sigma value = 43


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

Energy: 1.0596781535719408
Energy: 1.6729949272619677
Energy: 1.0920513541477945
Energy: 1.6729949272610523
Energy: 1.059678153567365
Energy: 1.6729949272610523
Energy: 1.0583930077252177
Energy: 1.1661283766499222
Energy: 1.066440423082049
Energy: 1.1661283766508377
Energy: 1.0583930077261332
Energy: 1.1661283766499222
Energy: 1.0450459922646853
Energy: 1.626243887144691
Energy: 1.0913143041990674
Energy: 1.626243887144691
Energy: 1.0450459922656004
Energy: 1.626243887144691
Energy: 1.07437624497895
Energy: 1.0884931830045543
Energy: 1.0660596986690343
Energy: 1.0884931830045543
Energy: 1.0743762449780345
Energy: 1.0884931830054696
Energy: 1.0662620754740553
Energy: 1.6161166064533878
Energy: 1.0747700803863085
Energy: 1.6161166064515573
Energy: 1.06626207547314
Energy: 1.6161166064515573
Energy: 1.0917245015599963
Energy: 1.6076726999455
Energy: 1.0662280280481982
Energy: 1.607672699946415
Energy: 1.0917245015599963
Energy: 1.6076726999455
Energy: 1.0661964959076784
Energy: 1.0542414831342535
Energy: 1.053390436764944
Energy: 1.0542414831342535
Energy: 1.0661964959067838
Energy: 1.0542414831342535
Energy: 1.1670643970263206
Energy: 1.6203328455345716
Energy: 1.0457604210421285
Energy: 1.6203328455354866
Energy: 1.1670643970254053
Energy: 1.6203328455354866
Energy: 1.089666114830877
Energy: 1.3752322646153434
Energy: 1.0539863967163439
Energy: 1.3752322646153434
Energy: 1.089666114830877
Energy: 1.3752322646153434
Energy: 1.0917988657179292
Energy: 1.6632560343809992
Energy: 1.049395574760186
Energy: 1.6632560343828298
Energy: 1.0917988657188444
Energy: 1.6632560343800842
Energy: 1.0522048745812864
Energy: 1.6344693776505164
Energy: 1.0529032606777886
Energy: 1.634469377649601
Energy: 1.0522048745822015
Energy: 1.634469377649601
Energy: 1.0913468347227027
Energy: 1.6201454500622121
Energy: 1.0452596851441855
Energy: 1.6201454500612973
Energy: 1.0913468347227027
Energy: 1.6201454500622121
Energy: 1.0894964770181226
Energy: 1.0888600619358662
Energy: 1.0751324012558752
Energy: 1.0888600619358662
Energy: 1.0894964770181226
Energy: 1.0888600619358662
Energy: 1.0527038413907008
Energy: 1.6622341302864911
Energy: 1.0674426896784024
Energy: 1.662234130285576
Energy: 1.0527038413916159
Energy: 1.662234130285576
Energy: 1.0520257954737267
Energy: 1.6075822561594797
Energy: 1.0908311081857864
Energy: 1.6075822561594797
Energy: 1.0520257954728116
Energy: 1.6075822561585644
Energy: 1.0542265644840805
Energy: 1.0543319379500955
Energy: 1.0515536422468064
Energy: 1.0543319379500955
Energy: 1.054226564484996
Energy: 1.054331937948265
Energy: 1.0578445635530878
Energy: 1.6221622847597907
Energy: 1.0744541920104143
Energy: 1.6221622847597907
Energy: 1.0578445635540026
Energy: 1.6221622847597907
Energy: 1.0506545643811462
Energy: 1.6635599266095618
Energy: 1.0900281212332807
Energy: 1.6635599266104768
Energy: 1.0506545643811462
Energy: 1.6635599266095618
Energy: 1.0513138252752574
Energy: 1.6613356716996928
Energy: 1.090221033262258
Energy: 1.6613356717015233
Energy: 1.0513138252761722
Energy: 1.6613356717015233
Energy: 1.0568333067836657
Energy: 1.636224639313431
Energy: 1.0527203562485155
Energy: 1.6362246393143463
Energy: 1.0568333067836657
Energy: 1.6362246393143463
Energy: 1.055183051692105
Energy: 1.7357030704948544
Energy: 1.0516546809477836
Energy: 1.7357030704939391
Energy: 1.055183051692105
Energy: 1.7357030704939391
Energy: 1.0518882310736193
Energy: 1.6087698698367099
Energy: 1.0903609928181734
Energy: 1.6087698698367099
Energy: 1.0518882310727045
Energy: 1.6087698698367099
Energy: 1.0518629333193665
Energy: 1.6623179438279552
Energy: 1.0510153490427205
Energy: 1.6623179438270401
Energy: 1.0518629333184515
Energy: 1.6623179438279552
Energy: 1.0897372332952555
Energy: 1.6348011548983583
Energy: 1.0532951566360589
Energy: 1.6348011548983583
Energy: 1.0897372332943402
Energy: 1.6348011548983583
Energy: 1.0907921695570795
Energy: 1.7356787346476763
Energy: 1.0451797963244556
Energy: 1.7356787346467608
Energy: 1.0907921695570795
Energy: 1.7356787346467608
Energy: 1.0516629827607762
Energy: 1.629900684945152
Energy: 1.0537477286043049
Energy: 1.629900684945152
Energy: 1.051662982759861
Energy: 1.629900684946067
Energy: 1.0911570161837754
Energy: 1.6616931868723694
Energy: 1.049504969365696
Energy: 1.6616931868714544
Energy: 1.0911570161837754
Energy: 1.6616931868723694
Energy: 1.0896416972805898
Energy: 1.654192221166349
Energy: 1.0472919149757351
Energy: 1.654192221166349
Energy: 1.0896416972805898
Energy: 1.654192221166349
Energy: 1.1673990891483998
Energy: 1.620058605827526
Energy: 1.045749796048379
Energy: 1.6200586058266107
Energy: 1.1673990891474848
Energy: 1.6200586058266107
Energy: 1.066125509908096
Energy: 1.054213785554095
Energy: 1.0539809192005851
Energy: 1.0542137855531797
Energy: 1.066125509908096
Energy: 1.0542137855522646
Energy: 1.09202336315746
Energy: 1.6070814789178165
Energy: 1.0667743111851682
Energy: 1.6070814789196262
Energy: 1.09202336315746
Energy: 1.6070814789196262

minimum gb energy = 1.0450459922646853 eV
minimum distance =  2.27785291434636 Angstroms
sigma value = 57


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

Energy: 1.2321530708587694
Energy: 1.9229196967038724
Energy: 1.2025614627603072
Energy: 1.9229196967026871
Energy: 1.2321530708599542
Energy: 1.9229196967026871
Energy: 1.177571234181819
Energy: 1.3069157563367266
Energy: 1.196394428358735
Energy: 1.3069157563390967
Energy: 1.1775712341806341
Energy: 1.306915756337912
Energy: 1.1951556536921069
Energy: 1.8886475562066067
Energy: 1.2022168419493853
Energy: 1.8886475562066067
Energy: 1.1951556536897365
Energy: 1.8886475562066067
Energy: 1.1930442518873123
Energy: 1.1997100676042753
Energy: 1.196862628073996
Energy: 1.1997100676042753
Energy: 1.1930442518873123
Energy: 1.1997100676042753
Energy: 1.1966151958349653
Energy: 1.1996034192997624
Energy: 1.1868302025621829
Energy: 1.1996034193033172
Energy: 1.1966151958337803
Energy: 1.1996034193021323
Energy: 1.2062224089486016
Energy: 1.8799359363697752
Energy: 1.1962762169645664
Energy: 1.8799359363697752
Energy: 1.2062224089486016
Energy: 1.8799359363697752
Energy: 1.2014801061391265
Energy: 1.576213190478105
Energy: 1.1787521498943545
Energy: 1.576213190478105
Energy: 1.2014801061379417
Energy: 1.576213190478105
Energy: 1.2043224964054149
Energy: 1.9158928635192074
Energy: 1.2322306664431262
Energy: 1.9158928635192074
Energy: 1.2043224964066
Energy: 1.9158928635192074
Energy: 1.1969907061943281
Energy: 1.3065469032092694
Energy: 1.1914250260603225
Energy: 1.3065469032104544
Energy: 1.1969907061955132
Energy: 1.3065469032104544
Energy: 1.2038079662792296
Energy: 1.9039718308518283
Energy: 1.1961390539548786
Energy: 1.9039718308506435
Energy: 1.2038079662792296
Energy: 1.9039718308506435
Energy: 1.2017392610441802
Energy: 1.199891485324219
Energy: 1.2036431890000194
Energy: 1.1998914853230342
Energy: 1.2017392610441802
Energy: 1.1998914853230342
Energy: 1.177423311566792
Energy: 1.181629171860417
Energy: 1.195799460444958
Energy: 1.181629171860417
Energy: 1.177423311565607
Energy: 1.181629171859232
Energy: 1.1969435144231664
Energy: 1.8793577221363658
Energy: 1.242924572993614
Energy: 1.8793577221375506
Energy: 1.1969435144219815
Energy: 1.8793577221375506
Energy: 1.1797629237869938
Energy: 1.9174146970828985
Energy: 1.2017324899449124
Energy: 1.9174146970840835
Energy: 1.1797629237881786
Energy: 1.9174146970840835
Energy: 1.1787326288519908
Energy: 1.916328780320144
Energy: 1.202744882845201
Energy: 1.9163287803189588
Energy: 1.1787326288519908
Energy: 1.9163287803189588
Energy: 1.177010477126593
Energy: 1.910891638123751
Energy: 1.1758121056110704
Energy: 1.9108916381249361
Energy: 1.177010477126593
Energy: 1.910891638123751
Energy: 1.1760674702962823
Energy: 1.181224732452198
Energy: 1.2023927181120677
Energy: 1.181224732453383
Energy: 1.1760674702950975
Energy: 1.181224732452198
Energy: 1.2022161102112392
Energy: 1.2442647638640447
Energy: 1.2022224087087625
Energy: 1.24426476386286
Energy: 1.2022161102100544
Energy: 1.24426476386286
Energy: 1.2023847082567183
Energy: 1.1809346752418988
Energy: 1.1760575603343242
Energy: 1.1809346752430836
Energy: 1.2023847082567183
Energy: 1.1809346752430836
Energy: 1.1759625921979462
Energy: 1.9104873780145857
Energy: 1.1770171549790673
Energy: 1.9104873780145857
Energy: 1.1759625921979462
Energy: 1.9104873780145857
Energy: 1.2027437248112611
Energy: 1.9162700557393169
Energy: 1.178151366563839
Energy: 1.9162700557393169
Energy: 1.202743724812446
Energy: 1.9162700557405017
Energy: 1.201740632910599
Energy: 1.5735174061630035
Energy: 1.178995862281017
Energy: 1.5735174061630035
Energy: 1.201740632910599
Energy: 1.5735174061630035
Energy: 1.3085187732683692
Energy: 1.8793531846913523
Energy: 1.1969883172740226
Energy: 1.8793531846913523
Energy: 1.3085187732707393
Energy: 1.8793531846913523
Energy: 1.195572522810503
Energy: 1.18156275760036
Energy: 1.1784307047075262
Energy: 1.18156275760036
Energy: 1.195572522811688
Energy: 1.18156275760036

minimum gb energy = 1.1758121056110704 eV
minimum distance =  2.31819577676184 Angstroms
sigma value = 17


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

Energy: 1.4143982256520709
Energy: 1.400558562868496
Energy: 0.40424312542170127
Energy: 1.400558562868496
Energy: 1.4143982256520709
Energy: 1.400558562868496
Energy: 1.3476149882767257
Energy: 1.3514995867552861
Energy: 1.3542341577831902
Energy: 1.3514995867536104
Energy: 1.3476149882750499
Energy: 1.3514995867536104
Energy: 1.3545652796605783
Energy: 1.3512943912393425
Energy: 1.3551263774548876
Energy: 1.3512943912393425
Energy: 1.3545652796605783
Energy: 1.3512943912393425
Energy: 1.3626124663674528
Energy: 1.3513201407030473
Energy: 1.3542478523059125
Energy: 1.3513201407030473
Energy: 1.3626124663674528
Energy: 1.351320140701371
Energy: 1.354220576011712
Energy: 1.351774631294305
Energy: 1.281775793720593
Energy: 1.351774631294305
Energy: 1.354220576013388
Energy: 1.351774631294305
Energy: 1.3608257436127467
Energy: 1.400880357800483
Energy: 1.4152666019457791
Energy: 1.400880357800483
Energy: 1.3608257436127467
Energy: 1.400880357800483
Energy: 1.3543319295431797
Energy: 1.5360539891118299
Energy: 1.347186892255207
Energy: 1.536053989110154
Energy: 1.3543319295448555
Energy: 1.536053989110154
Energy: 1.3599136163605046
Energy: 1.3961024361397352
Energy: 1.3546448050222248
Energy: 1.3961024361397352
Energy: 1.3599136163605046
Energy: 1.396102436141411
Energy: 1.3544143263697173
Energy: 1.351708376779676
Energy: 0.735847542643677
Energy: 1.351708376779676
Energy: 1.354414326371393
Energy: 1.351708376779676
Energy: 1.3954181160172217
Energy: 1.3479238157012292
Energy: 1.3546468417912156
Energy: 1.3479238156995534
Energy: 1.3954181160172217
Energy: 1.3479238156995534
Energy: 1.3970049621231695
Energy: 1.8548243969223555
Energy: 1.358590302405338
Energy: 1.8548243969206797
Energy: 1.3970049621214935
Energy: 1.8548243969223555
Energy: 1.3582457125044267
Energy: 1.3536050388107488
Energy: 1.3550363988112721
Energy: 1.3536050388107488
Energy: 1.3582457125044267
Energy: 1.3536050388107488
Energy: 1.3548763406251372
Energy: 1.5281736568100437
Energy: 1.357787040253968
Energy: 1.5281736568117197
Energy: 1.3548763406251372
Energy: 1.5281736568117197
Energy: 1.3576160984315626
Energy: 1.352228740487809
Energy: 1.355241041249765
Energy: 1.3522287404861335
Energy: 1.3576160984315626
Energy: 1.3522287404861335
Energy: 1.3552997849432455
Energy: 1.8565745914620526
Energy: 1.3977263110705795
Energy: 1.8565745914603766
Energy: 1.3552997849432455
Energy: 1.8565745914620526
Energy: 1.356707751895695
Energy: 1.8555136916413797
Energy: 1.3975846934524407
Energy: 1.8555136916413797
Energy: 1.3567077518973705
Energy: 1.8555136916380282
Energy: 1.3560569020490643
Energy: 1.3528092146101238
Energy: 1.3564869842061875
Energy: 1.3528092146101238
Energy: 1.3560569020490643
Energy: 1.3528092146101238

minimum gb energy = 0.40424312542170127 eV
minimum distance =  2.29901527328024 Angstroms
sigma value = 17


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

Energy: 2.1921466516320454
Energy: 1.319218991916053
Energy: 1.3919953270753038
Energy: 1.3192189919186417
Energy: 2.192146651634634
Energy: 1.3192189919179944
Energy: 1.7500307813395193
Energy: 1.2918294629600588
Energy: 1.2930516473603941
Energy: 1.2918294629613531
Energy: 1.7500307813401665
Energy: 1.2918294629613531
Energy: 1.322486356891597
Energy: 1.4792773819778262
Energy: 1.3937834892291918
Energy: 1.479277381976532
Energy: 1.3224863568922443
Energy: 1.479277381977179
Energy: 1.2957144447270852
Energy: 1.2924543736017577
Energy: 1.512660471778429
Energy: 1.2924543735972278
Energy: 1.2957144447290267
Energy: 1.2924543735998162
Energy: 1.2935558719164886
Energy: 1.320784089368793
Energy: 1.8196024850390924
Energy: 1.3207840893662042
Energy: 1.2935558719164886
Energy: 1.3207840893668514
Energy: 1.490127103962819
Energy: 1.3194274248476212
Energy: 1.5589652424339575
Energy: 1.319427424846327
Energy: 1.4901271039602304
Energy: 1.319427424846327
Energy: 1.2936097313730026
Energy: 1.4814526818168148
Energy: 1.6817366820893551
Energy: 1.4814526818168148
Energy: 1.2936097313730026
Energy: 1.4814526818168148
Energy: 1.4894016781139894
Energy: 1.2926775478090287
Energy: 1.293342071690614
Energy: 1.2926775478057928
Energy: 1.4894016781152837
Energy: 1.292677547807087
Energy: 1.5613624717159538
Energy: 1.3196547262413152
Energy: 1.2947088369787867
Energy: 1.3196547262393736
Energy: 1.5613624717159538
Energy: 1.319654726240021
Energy: 1.7952073509159134
Energy: 1.3980517746757946
Energy: 1.29436672475012
Energy: 1.3980517746764416
Energy: 1.7952073509133248
Energy: 1.3980517746757946
Energy: 1.5071096729214857
Energy: 1.6968944364997345
Energy: 1.4884474323314372
Energy: 1.6968944364971457
Energy: 1.5071096729195443
Energy: 1.6968944364964986
Energy: 1.2942291666658354
Energy: 1.292507782269078
Energy: 1.32509160383064
Energy: 1.2925077822684308
Energy: 1.2942291666671297
Energy: 1.2925077822684308
Energy: 1.2949586105134523
Energy: 1.3030264258480861
Energy: 1.5441481350078465
Energy: 1.3030264258487334
Energy: 1.2949586105134523
Energy: 1.3030264258487334
Energy: 1.2941309417264335
Energy: 1.5099795673296084
Energy: 1.7101351244116523
Energy: 1.5099795673030751
Energy: 1.2941309417277278
Energy: 1.5099795673263727
Energy: 1.28933248920643
Energy: 1.990883435662084
Energy: 1.4866974649676963
Energy: 1.9908834356633782
Energy: 1.2893324892083715
Energy: 1.9908834356633782
Energy: 1.5147129635915784
Energy: 1.6824926706976115
Energy: 1.3261819402071646
Energy: 1.682492670694376
Energy: 1.5147129635915784
Energy: 1.6824926706937287
Energy: 1.511401481362477
Energy: 1.663150767140665
Energy: 1.2909832856008263
Energy: 1.6631507671419592
Energy: 1.5114014813618297
Energy: 1.6631507671419592
Energy: 1.8994624379452103
Energy: 1.4832105106666518
Energy: 1.2932113789066317
Energy: 1.4832105106621216
Energy: 1.8994624379452103
Energy: 1.4832105106621216
Energy: 1.7464130267936653
Energy: 1.320275540770944
Energy: 1.2960942270267342
Energy: 1.3202755407702966
Energy: 1.7464130267969011
Energy: 1.320275540770944
Energy: 1.2954669585837322
Energy: 1.7710540431043285
Energy: 1.2954629878642918
Energy: 1.7710540431056228
Energy: 1.2954669585863208
Energy: 1.7710540431049755
Energy: 1.296081653191326
Energy: 1.3203390682265512
Energy: 1.6021937191874194
Energy: 1.3203390682265512
Energy: 1.2960816531887374
Energy: 1.3203390682265512
Energy: 1.293219121618763
Energy: 1.4832687006639207
Energy: 1.9004625705234037
Energy: 1.4832687006626264
Energy: 1.2932191216213518
Energy: 1.4832687006619791
Energy: 1.290595721237318
Energy: 1.6632970118488342
Energy: 1.511398673774007
Energy: 1.6632970118488342
Energy: 1.2905957212418482
Energy: 1.6632970118494814
Energy: 1.3263076654675288
Energy: 1.2933696678258932
Energy: 1.5146471233993704
Energy: 1.2933696678252462
Energy: 1.3263076654655872
Energy: 1.2933696678258932
Energy: 1.4868835683802117
Energy: 1.9908781396057411
Energy: 1.2892418736720015
Energy: 1.9908781396044468
Energy: 1.486883568380859
Energy: 1.9908781396044468
Energy: 1.7097402124646164
Energy: 1.508916539637617
Energy: 1.2941402127514794
Energy: 1.5089165396382642
Energy: 1.7097402124652634
Energy: 1.5089165396369697
Energy: 1.5440784111882224
Energy: 1.3030067099168203
Energy: 1.2949830984458157
Energy: 1.3030067099187619
Energy: 1.5440784111811037
Energy: 1.3030067099181146
Energy: 1.325127220127612
Energy: 1.2925403791971464
Energy: 1.294243583457812
Energy: 1.2925403791964993
Energy: 1.3251272201269648
Energy: 1.2925403791971464
Energy: 1.4882969912700927
Energy: 1.6973303629226393
Energy: 1.507435610079341
Energy: 1.6973303629226393
Energy: 1.4882969912700927
Energy: 1.6973303629226393
Energy: 1.2943691059431637
Energy: 1.3210291585297722
Energy: 1.7952174008779391
Energy: 1.3210291585284781
Energy: 1.2943691059431637
Energy: 1.3210291585278309
Energy: 1.2947052597312985
Energy: 1.319631360961031
Energy: 1.561215510937026
Energy: 1.3196313609616783
Energy: 1.2947052597306514
Energy: 1.3196313609616783
Energy: 1.2933481266285325
Energy: 1.2927505105701487
Energy: 1.4892210606431684
Energy: 1.2927505105701487
Energy: 1.2933481266291795
Energy: 1.2927505105701487
Energy: 1.681720903440393
Energy: 1.4816570556516142
Energy: 1.2936137116796258
Energy: 1.48165705565032
Energy: 1.6817209034390987
Energy: 1.48165705565032
Energy: 1.5589022521785583
Energy: 1.319418143254751
Energy: 1.4901122259960564
Energy: 1.3194181432566925
Energy: 1.5589022521766167
Energy: 1.3194181432566925
Energy: 1.8195900615015088
Energy: 1.3207840893577911
Energy: 1.2935693693506207
Energy: 1.320784089357144
Energy: 1.8195900615015088
Energy: 1.320784089357144
Energy: 1.5035662346667662
Energy: 1.2924161307551219
Energy: 1.2954673045526872
Energy: 1.2924161307531803
Energy: 1.503566234666119
Energy: 1.2924161307525333
Energy: 1.3926816620106535
Energy: 1.479278611871083
Energy: 1.3224940204779165
Energy: 1.4792786118678471
Energy: 1.3926816620125948
Energy: 1.4792786118691414
Energy: 1.29305093544059
Energy: 1.291832262473065
Energy: 1.7499040569783506
Energy: 1.2918322624750065
Energy: 1.2930509354392956
Energy: 1.2918322624750065
Energy: 1.3055711517073088
Energy: 1.3192189919173474
Energy: 2.1921466516320454
Energy: 1.3192189919173474
Energy: 1.305571151722164
Energy: 1.319218991916053
Energy: 1.293051647362983
Energy: 1.2918294629613531
Energy: 1.750030781334342
Energy: 1.2918294629607059
Energy: 1.2930516473603941
Energy: 1.2918294629600588
Energy: 1.3937834892369576
Energy: 1.4792773819778262
Energy: 1.3224863568896557
Energy: 1.479277381977179
Energy: 1.3937834892356633
Energy: 1.4792773819784732
Energy: 1.5126604717810177
Energy: 1.2924543735978749
Energy: 1.295714444730321
Energy: 1.2924543735972278
Energy: 1.5126604717810177
Energy: 1.2924543735978749
Energy: 1.8196024850403867
Energy: 1.3207840893636156
Energy: 1.293555871914547
Energy: 1.3207840893655571
Energy: 1.8196024850449168
Energy: 1.3207840893655571

minimum gb energy = 1.2892418736720015 eV
minimum distance =  2.31000035311528 Angstroms
sigma value = 57


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

Energy: 1.588027768419178
Energy: 1.1774625296254486
Energy: 1.8077098613761817
Energy: 1.177462529623341
Energy: 1.5880277684202313
Energy: 1.1774625296243948
Energy: 1.3809021672429411
Energy: 1.1558413150681117
Energy: 1.163213964589419
Energy: 1.1558413150723268
Energy: 1.3809021672461024
Energy: 1.1558413150723268
Energy: 1.1797074680550912
Energy: 1.4996079602448382
Energy: 1.328871938468488
Energy: 1.4996079602395695
Energy: 1.1797074680540374
Energy: 1.4996079602385157
Energy: 1.4986086959389107
Energy: 1.5154855972321473
Energy: 1.5124274383287508
Energy: 1.5154855972321473
Energy: 1.4986086959399643
Energy: 1.5154855972321473
Energy: 1.1799646917861664
Energy: 1.1939858495651907
Energy: 1.5183364964076396
Energy: 1.1939858495672981
Energy: 1.179964691785113
Energy: 1.193985849568352
Energy: 1.4987769887067028
Energy: 1.5155299794195194
Energy: 1.512401836670467
Energy: 1.5155299794216268
Energy: 1.4987769887077567
Energy: 1.5155299794226806
Energy: 1.1797757614714217
Energy: 1.5000946077720745
Energy: 1.1575993031018046
Energy: 1.500094607765752
Energy: 1.1797757614703681
Energy: 1.500094607765752
Energy: 1.1741887178410393
Energy: 1.3284405154922319
Energy: 1.162797278850624
Energy: 1.3284405154869634
Energy: 1.1741887178452541
Energy: 1.3284405154869634
Energy: 1.6103647364532512
Energy: 1.1774813699875821
Energy: 1.157228190489018
Energy: 1.1774813699907436
Energy: 1.6103647364511435
Energy: 1.1774813699907436
Energy: 1.327725191471654
Energy: 1.1553701111865562
Energy: 1.1607090651907395
Energy: 1.1553701111844488
Energy: 1.327725191474815
Energy: 1.1553701111844488
Energy: 1.179594164166
Energy: 1.1765818403100405
Energy: 1.5154322430289606
Energy: 1.176581840308987
Energy: 1.179594164166
Energy: 1.176581840308987
Energy: 1.2077034192587854
Energy: 1.5143074750631875
Energy: 1.5129592939029504
Energy: 1.5143074750589727
Energy: 1.2077034192608929
Energy: 1.5143074750589727
Energy: 1.1796284975945341
Energy: 1.5002230797100118
Energy: 1.515184868581468
Energy: 1.5002230797110652
Energy: 1.1796284975966413
Energy: 1.500223079712119
Energy: 1.4979862945081013
Energy: 1.258268856544076
Energy: 1.5133673801672234
Energy: 1.2582688565377536
Energy: 1.4979862945070475
Energy: 1.2582688565377536
Energy: 1.1797220769464984
Energy: 1.5008921116321505
Energy: 1.1600399707023514
Energy: 1.5008921116310967
Energy: 1.179722076947552
Energy: 1.5008921116300429
Energy: 1.1673110361730474
Energy: 1.3794941868295243
Energy: 1.1599720523204125
Energy: 1.379494186826363
Energy: 1.1673110361678267
Energy: 1.3794941868274169
Energy: 1.5885752759110956
Energy: 1.6479419550708196
Energy: 1.160244286599213
Energy: 1.6479419550571215
Energy: 1.5885752759089882
Energy: 1.647941955069766
Energy: 1.4980003069137824
Energy: 1.4984570521502438
Energy: 1.1597281746545642
Energy: 1.4984570521470826
Energy: 1.4980003069106211
Energy: 1.4984570521481362
Energy: 1.1827620255079059
Energy: 1.1757504160286982
Energy: 1.5135783037940367
Energy: 1.1757504160350203
Energy: 1.1827620255110671
Energy: 1.175750416033967
Energy: 1.497706206382999
Energy: 1.7614625694864798
Energy: 1.5129219347815166
Energy: 1.7614625694864798
Energy: 1.4977062063766768
Energy: 1.7614625694864798
Energy: 1.178985608166816
Energy: 1.4993921199030271
Energy: 1.5131858562576486
Energy: 1.4993921199019733
Energy: 1.1789856081710308
Energy: 1.4993921198988123
Energy: 1.182213687803244
Energy: 1.1751277167405194
Energy: 1.5130974460165376
Energy: 1.1751277167436807
Energy: 1.182213687804298
Energy: 1.1751277167436807
Energy: 1.181989763339618
Energy: 1.4989394505626579
Energy: 1.1595013685206548
Energy: 1.4989394505605502
Energy: 1.1819897633375105
Energy: 1.4989394505626579
Energy: 1.5890522034614116
Energy: 1.4215602543303851
Energy: 1.1613337294761694
Energy: 1.4215602543240629
Energy: 1.58905220346668
Energy: 1.421560254327224
Energy: 1.5899163107191556
Energy: 1.4179411472015153
Energy: 1.159293260995016
Energy: 1.4179411472025691
Energy: 1.5899163107170484
Energy: 1.4179411472025691
Energy: 1.1794471001487836
Energy: 1.499953930825585
Energy: 1.1612198397686777
Energy: 1.4999539308266385
Energy: 1.179447100149837
Energy: 1.499953930825585
Energy: 1.1812310511365225
Energy: 1.1741962908052432
Energy: 1.5129631775374999
Energy: 1.1741962907968135
Energy: 1.1812310511365225
Energy: 1.1741962907999748

minimum gb energy = 1.1553701111844488 eV
minimum distance =  2.37258997578351 Angstroms
sigma value = 43


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

Energy: 1.7288378627329621
Energy: 1.4470667634270593
Energy: 1.7612826901454812
Energy: 1.4470667634293626
Energy: 1.7288378627337295
Energy: 1.447066763427827
Energy: 1.4182017723974627
Energy: 1.3791990819423676
Energy: 1.3904292726243526
Energy: 1.379199081944671
Energy: 1.4182017723974627
Energy: 1.379199081944671
Energy: 1.3900783920008934
Energy: 1.5645160948239674
Energy: 1.4865275634776223
Energy: 1.5645160948239674
Energy: 1.3900783920024287
Energy: 1.5645160948239674
Energy: 1.478364785413305
Energy: 1.3890945931613494
Energy: 1.643153861067118
Energy: 1.3890945931628846
Energy: 1.4783647854125372
Energy: 1.3890945931613494
Energy: 1.391144864824937
Energy: 1.4212581447380395
Energy: 1.4901393629853663
Energy: 1.4212581447388075
Energy: 1.391144864824937
Energy: 1.4212581447388075
Energy: 1.5784949379529847
Energy: 1.5731240405903628
Energy: 1.4501167885146964
Energy: 1.5731240405903628
Energy: 1.5784949379537527
Energy: 1.5731240405903628
Energy: 1.4508074647645377
Energy: 1.5727356821987886
Energy: 1.3817868276540624
Energy: 1.572735682198021
Energy: 1.4508074647645377
Energy: 1.5727356821987886
Energy: 1.5408639938525204
Energy: 1.4212015122165298
Energy: 1.39132265197711
Energy: 1.4212015122172976
Energy: 1.5408639938540558
Energy: 1.4212015122172976
Energy: 1.6335757192694131
Energy: 1.3892982967757073
Energy: 1.569552097780793
Energy: 1.3892982967757073
Energy: 1.633575719270181
Energy: 1.3892982967757073
Energy: 1.727147603282526
Energy: 1.5643072079091742
Energy: 1.3921745783768438
Energy: 1.5643072079084064
Energy: 1.7271476032840611
Energy: 1.5643072079076383
Energy: 1.3919098691466414
Energy: 1.4713906151822993
Energy: 1.5430117167900517
Energy: 1.471390615180764
Energy: 1.3919098691435707
Energy: 1.4713906151799963
Energy: 1.3812677720964093
Energy: 1.447279898258871
Energy: 1.733358571645859
Energy: 1.4472798982596387
Energy: 1.3812677720979445
Energy: 1.4472798982604065
Energy: 1.3911529632383912
Energy: 1.3792461689064108
Energy: 1.5690038987982096
Energy: 1.379246168907946
Energy: 1.3911529632399267
Energy: 1.379246168907946
Energy: 1.6385500178535748
Energy: 1.3889847677224352
Energy: 1.3932399152228208
Energy: 1.388984767725506
Energy: 1.6385500178535748
Energy: 1.3889847677262739
Energy: 1.636005644230394
Energy: 1.3895405944868795
Energy: 1.3811492587830498
Energy: 1.3895405944868795
Energy: 1.636005644236501
Energy: 1.3895405944876473
Energy: 1.57851176975402
Energy: 1.564390221686081
Energy: 1.3917877992546843
Energy: 1.5643902216876167
Energy: 1.5785117697532522
Energy: 1.5643902216876167
Energy: 1.4512638192559377
Energy: 1.4472072452106033
Energy: 1.5777667094409078
Energy: 1.4472072452113711
Energy: 1.4512638192536345
Energy: 1.4472072452113711
Energy: 1.3807591020836818
Energy: 1.5752432958239306
Energy: 1.4517417262657226
Energy: 1.5752432958208595
Energy: 1.3807591020813785
Energy: 1.5752432958208595
Energy: 1.3814045982842966
Energy: 1.3799416037387833
Energy: 1.638129179714739
Energy: 1.379941603737248
Energy: 1.3814045982842966
Energy: 1.379941603737248
Energy: 1.3911014418284182
Energy: 1.5503816214879662
Energy: 1.6368523675230073
Energy: 1.5503816214864306
Energy: 1.3911014418268826
Energy: 1.5503816214864306
Energy: 1.3930200239604607
Energy: 1.5669800466082235
Energy: 1.3805837778927477
Energy: 1.5669800466082235
Energy: 1.3930200239612285
Energy: 1.5669800466089912
Energy: 1.6356403428807131
Energy: 1.4122612623602164
Energy: 1.393123748880805
Energy: 1.4122612623594486
Energy: 1.6356403428776423
Energy: 1.4122612623594486
Energy: 1.518697507569336
Energy: 1.3906817238567935
Energy: 1.3802733413071067
Energy: 1.3906817238575613
Energy: 1.5186975076437723
Energy: 1.3906817238560258
Energy: 1.3908929547231481
Energy: 1.8858599998177585
Energy: 1.3826232375975238
Energy: 1.8858599998162582
Energy: 1.3908929547246836
Energy: 1.8858599998170256
Energy: 1.3940512464530928
Energy: 1.550034609570685
Energy: 1.6362464709320486
Energy: 1.550034609572988
Energy: 1.3940512464546284
Energy: 1.5500346095722202
Energy: 1.3800267515463587
Energy: 1.3902208300906154
Energy: 1.6376189024807033
Energy: 1.3902208300898473
Energy: 1.3800267515463587
Energy: 1.3902208300913832
Energy: 1.3796352461871872
Energy: 1.5651922144465238
Energy: 1.5760335639818566
Energy: 1.5651922144472916
Energy: 1.379635246188723
Energy: 1.5651922144472916
Energy: 1.5763206213220788
Energy: 2.2119075495408307
Energy: 1.576314943091747
Energy: 2.2119075495415985
Energy: 1.5763206213236145
Energy: 2.2119075495415985
Energy: 1.5761052960876976
Energy: 1.5653067379344405
Energy: 1.3840530203665946
Energy: 1.565306737935976
Energy: 1.576105296089233
Energy: 1.5653067379375114
Energy: 1.6377625619267138
Energy: 1.3903105157263989
Energy: 1.3800256937812958
Energy: 1.3903105157340765
Energy: 1.6377625619282494
Energy: 1.3903105157263989
Energy: 1.6364248587055619
Energy: 1.5500434615512333
Energy: 1.394097124360808
Energy: 1.550043461548162
Energy: 1.636424858704794
Energy: 1.5500434615489298
Energy: 1.3806543436513157
Energy: 1.8857063397955
Energy: 1.3908913530731857
Energy: 1.8857063397955
Energy: 1.3806543436520835
Energy: 1.8857063397955
Energy: 1.3802557362873067
Energy: 1.3907127980725147
Energy: 1.287544972463259
Energy: 1.3907127980717466
Energy: 1.3802557362857715
Energy: 1.390712798070979
Energy: 1.3931213336712
Energy: 1.4122340478804543
Energy: 1.6359985637882823
Energy: 1.4122340478819897
Energy: 1.3931213336681292
Energy: 1.4122340478812219
Energy: 1.3805864632199094
Energy: 1.567357388307008
Energy: 1.3930279081409862
Energy: 1.5673573883054726
Energy: 1.3805864632176064
Energy: 1.5673573883062402
Energy: 1.6370687439458147
Energy: 1.5504371708740596
Energy: 1.3910998871972777
Energy: 1.550437170873292
Energy: 1.6370687439450469
Energy: 1.5504371708725242

minimum gb energy = 1.287544972463259 eV
minimum distance =  2.31457095903374 Angstroms
sigma value = 81


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

Energy: 1.5090239845595546
Energy: 1.5097354224957982
Energy: 1.5105111415643173
Energy: 1.5097354224946762
Energy: 1.5090239845589775
Energy: 1.5097354224983306
Energy: 1.5091050597218374
Energy: 1.5093505698682914
Energy: 1.5094177595160392
Energy: 1.5093505698691567
Energy: 1.5091050597097204
Energy: 1.5093505698688683
Energy: 1.5094034195302815
Energy: 1.5093503393051404
Energy: 0.6980600707663481
Energy: 1.5093503393048517
Energy: 1.509403419529993
Energy: 1.5093503393051404
Energy: 1.5105113615962216
Energy: 1.5097354224949326
Energy: 1.509023984559811
Energy: 1.5097354224943877
Energy: 1.5105110987712322
Energy: 1.5097354224946762
Energy: 1.509417759516584
Energy: 1.5093505698680028
Energy: 1.5091050597339863
Energy: 1.5093505698682914
Energy: 1.5094177595160392
Energy: 1.5093505698691567
Energy: 1.5092185617524079
Energy: 1.5093503393037297
Energy: 1.5094034195302815
Energy: 1.5093503393040184
Energy: 1.5092185608021909
Energy: 1.5093503393040184
Energy: 1.509023984559811
Energy: 1.5097354224963428
Energy: 1.0113227884914568
Energy: 1.5097354224957982
Energy: 1.509023984559811
Energy: 1.509735422495221
Energy: 1.5091050597503346
Energy: 1.5093505698697018
Energy: 1.509417759516584
Energy: 1.5093505698682914
Energy: 1.5091050597122528
Energy: 1.5093505698688683
Energy: 1.509403419529993
Energy: 1.5093503393051404
Energy: 1.5092185608820086
Energy: 1.5093503393054288
Energy: 1.50940341953057
Energy: 1.5093503393057173
Energy: 1.6366060781431069
Energy: 1.5097354224943877
Energy: 1.5090239845595546
Energy: 1.5097354224960866
Energy: 1.6366060781414078
Energy: 1.5097354224955095

minimum gb energy = 0.6980600707663481 eV
minimum distance =  2.29246183883419 Angstroms
sigma value = 3


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

Energy: 2.088529598512713
Energy: 2.092008617322302
Energy: 1.3340930691803188
Energy: 2.092008617322302
Energy: 2.0885295985144015
Energy: 2.092008617321458
Energy: 0.7160274886534966
Energy: 1.2667262658810141
Energy: 1.2692817430811476
Energy: 1.2667262658810141
Energy: 0.7498563043224205
Energy: 1.2667262658810141
Energy: 1.3838700206602434
Energy: 0.7893936718378197
Energy: 0.6390582236408279
Energy: 0.789393671867365
Energy: 1.3838700206602434
Energy: 0.7893936719036253
Energy: 1.3577009555284292
Energy: 0.7061232808664187
Energy: 1.1816319120112124
Energy: 0.7061232598116062
Energy: 1.3577009555275852
Energy: 0.7061232173332395
Energy: 0.7763819533165831
Energy: 0.748230983546863
Energy: 1.354665223395953
Energy: 0.7482309835384214
Energy: 0.776381953310674
Energy: 0.7482309835384214
Energy: 0.675215265542061
Energy: 1.4365286786936893
Energy: 1.3608852583720779
Energy: 1.4365286786962217
Energy: 0.6752152655260221
Energy: 1.436528678697066
Energy: 0.7878864562185854
Energy: 0.7734109445134015
Energy: 0.2058157695220614
Energy: 0.7734109445117132
Energy: 0.7878864562202738
Energy: 0.7734109445049601
Energy: 0.7603688624654521
Energy: 1.042158442386604
Energy: 1.2205094148464288
Energy: 1.0421584423849155
Energy: 0.7603688624620756
Energy: 1.0421584423882921
Energy: 1.3709915660807759
Energy: 1.3720336484264914
Energy: 2.042075417464029
Energy: 1.3720336484290236
Energy: 1.3709915660807759
Energy: 1.3720336484290236
Energy: 1.3678050423863097
Energy: 1.2518338914742546
Energy: 1.2849055255643314
Energy: 1.2518338914767868
Energy: 1.3678050423863097
Energy: 1.2518338914767868
Energy: 0.7491413968251326
Energy: 0.6039296444415665
Energy: 1.2480950221526261
Energy: 0.6039296444407224
Energy: 0.7491413968192235
Energy: 0.6039296444432549
Energy: 0.6692645726787049
Energy: 1.2152298224572184
Energy: 1.2787167743306935
Energy: 1.2152298224563742
Energy: 0.6692645730440702
Energy: 1.2152298224521536
Energy: 1.3696581939593557
Energy: 1.3235221340977565
Energy: 1.2835749964878373
Energy: 1.323522134101133
Energy: 1.3696581939593557
Energy: 1.323522134101133
Energy: 1.3684221308760294
Energy: 1.3359273779370193
Energy: 1.2368102777854828
Energy: 1.3359273779370193
Energy: 1.3684221308768736
Energy: 1.3359273779370193
Energy: 0.7915353671945288
Energy: 0.6123945738009936
Energy: 1.2445551329717155
Energy: 0.6123945737993053
Energy: 0.7915353671945288
Energy: 0.6123945738001495
Energy: 0.7925660145033356
Energy: 1.2470113059967884
Energy: 1.352921385004209
Energy: 1.2470113059967884
Energy: 0.7925660145041797
Energy: 1.2470113059967884
Energy: 0.7910648113572369
Energy: 1.2449768784884463
Energy: 1.3532480282593906
Energy: 1.2449768784909787
Energy: 0.7910648113572369
Energy: 1.2449768784909787
Energy: 0.7931259732888438
Energy: 0.5493688702836625
Energy: 1.2431994487372586
Energy: 0.549368870267662
Energy: 0.7931259732888438
Energy: 0.5493688702735711
Energy: 1.3687335592063388
Energy: 1.3452941947530115
Energy: 1.2316945335174792
Energy: 1.3452941947521675
Energy: 1.3687335592071828
Energy: 1.3452941947521675
Energy: 1.3690296067923404
Energy: 1.2452428088499645
Energy: 1.2817077118321776
Energy: 1.245242808852497
Energy: 1.3690296067914962
Energy: 1.245242808851653
Energy: 0.6310993917469363
Energy: 1.4399461376642602
Energy: 1.281146159233755
Energy: 1.4399461376667926
Energy: 0.631099373078317
Energy: 1.4399461376667926
Energy: 0.6905880316327305
Energy: 0.6023136317228318
Energy: 1.2489546661297883
Energy: 0.6023136317194552
Energy: 0.690588027252684
Energy: 0.602313631717767
Energy: 1.3681383500848867
Energy: 1.2488791717269332
Energy: 1.2813925196693687
Energy: 1.2488791717244003
Energy: 1.3681383500831985
Energy: 1.2488791717244003
Energy: 1.370227519888208
Energy: 1.3211594143530911
Energy: 2.0434126039155487
Energy: 1.3211594143556238
Energy: 1.370227519888208
Energy: 1.3211594143547798
Energy: 0.7806019714173738
Energy: 0.550043460572392
Energy: 1.2342452633198018
Energy: 0.5500434605563531
Energy: 0.7806019714139971
Energy: 0.5500434605707037
Energy: 0.7936837047368632
Energy: 0.6671301263511344
Energy: 1.4394292540969587
Energy: 0.6671301261114715
Energy: 0.7936837047368632
Energy: 0.6671301262667575
Energy: 0.7664472419824301
Energy: 1.2522142122999498
Energy: 1.3620962714289564
Energy: 1.252214212301638
Energy: 0.7664472419841184
Energy: 1.252214212301638
Energy: 0.7907410486444946
Energy: 0.5682592153935832
Energy: 1.3546691375738544
Energy: 0.5682592153944274
Energy: 0.7907410486453387
Energy: 0.5682592153902066
Energy: 1.3146504222554045
Energy: -0.16431140078288098
Energy: 1.1955516724157011
Energy: -0.16431147316225705
Energy: 1.3146504222570545
Energy: -0.16431145089408827
Energy: 1.3839709603722954
Energy: 0.791251211417207
Energy: 1.7000742519951937
Energy: 0.7912512112299199
Energy: 1.3839709603756722
Energy: 0.7912512113336743
Energy: 0.762582655804716
Energy: 1.2609711830204258
Energy: 1.2924073411178152
Energy: 1.2609711830187373
Energy: 0.7625824916963808
Energy: 1.2609711830195816
Energy: 0.6298110951056254
Energy: 1.7463248785889214
Energy: 1.248187090724319
Energy: 1.7463248785872334
Energy: 0.6298114890534986
Energy: 1.7463248785880774
Energy: 0.7791746638551522
Energy: 1.2658504721020158
Energy: 1.280299576602048
Energy: 1.2658504721020158
Energy: 0.7791746638576847
Energy: 1.2658504721020158

minimum gb energy = -0.16431147316225705 eV
minimum distance =  2.2707067248413 Angstroms
sigma value = 67


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

Energy: 1.345621166031871
Energy: 2.40926015563363
Energy: 1.7070939913829422
Energy: 2.40926015563363
Energy: 1.3456211660342767
Energy: 2.40926015563363
Energy: 1.2459363899456075
Energy: 1.219560506174636
Energy: 1.2382754584365456
Energy: 1.2195605061770416
Energy: 1.2459363899456075
Energy: 1.2195605061770416
Energy: 1.2164245699271943
Energy: 1.3046362397745064
Energy: 1.2420766540342314
Energy: 1.3046362397745064
Energy: 1.2164245699271943
Energy: 1.304636239775709
Energy: 1.2226029713755646
Energy: 1.8177219979061663
Energy: 1.2386528833010204
Energy: 1.8177219979085721
Energy: 1.2226029713647393
Energy: 1.8177219979073693
Energy: 1.2389813071398788
Energy: 2.4048722136928022
Energy: 1.227171924777044
Energy: 2.4048722136928022
Energy: 1.2389813071410813
Energy: 2.4048722136928022
Energy: 1.2403810129211437
Energy: 1.2192663162974267
Energy: 1.2377208999709597
Energy: 1.2192663162974267
Energy: 1.2403810129223463
Energy: 1.2192663162974267
Energy: 1.2173050966238872
Energy: 1.2195601880233995
Energy: 1.2258726134059548
Energy: 1.219560188022197
Energy: 1.2173050966262924
Energy: 1.219560188020994
Energy: 1.2254666672237935
Energy: 1.8589671310218758
Energy: 2.287580735502774
Energy: 1.858967131020673
Energy: 1.2254666672261993
Energy: 1.858967131020673
Energy: 1.2229833553921632
Energy: 1.265383650290348
Energy: 2.2773905267600982
Energy: 1.265383650289145
Energy: 1.2229833553921632
Energy: 1.265383650290348
Energy: 1.2246719238752188
Energy: 1.2174035973342232
Energy: 1.223402609326345
Energy: 1.2174035973330206
Energy: 1.2246719238752188
Energy: 1.2174035973330206
Energy: 1.238959851147091
Energy: 1.2192611798413582
Energy: 1.2244547036594444
Energy: 1.2192611798377497
Energy: 1.2389598511482938
Energy: 1.219261179838953
Energy: 1.239979080732185
Energy: 1.2854439772369066
Energy: 1.2399817745821557
Energy: 1.2854439772357036
Energy: 1.2399790807309825
Energy: 1.2854439772357036
Energy: 1.2244467209295138
Energy: 1.219031240209434
Energy: 1.2389742913409338
Energy: 1.2190312402118397
Energy: 1.2244467209271084
Energy: 1.2190312402118397
Energy: 1.2231344103946966
Energy: 1.2174940606361047
Energy: 1.2246677969857123
Energy: 1.217494060633699
Energy: 1.2231344103958992
Energy: 1.217494060634902
Energy: 2.277456610848759
Energy: 1.2654469665197638
Energy: 1.2229877291490672
Energy: 1.2654469665197638
Energy: 2.277456610848759
Energy: 1.2654469665197638
Energy: 2.287983409301509
Energy: 1.8589604861161995
Energy: 1.2254585050508793
Energy: 1.8589604861137938
Energy: 2.287983409301509
Energy: 1.8589604861137938
Energy: 1.2258588183538106
Energy: 1.2195965937970623
Energy: 1.2167127098398518
Energy: 1.2195965937994135
Energy: 1.2258588183538106
Energy: 1.2195965937994135
Energy: 1.2377263022798006
Energy: 1.2192740507352147
Energy: 1.2403591575372326
Energy: 1.219274050732809
Energy: 1.2377263022786527
Energy: 1.219274050732809
Energy: 1.2270819921382976
Energy: 2.40485037767414
Energy: 1.238995846848443
Energy: 2.40485037767414
Energy: 1.2270819921370946
Energy: 2.4048503776753427
Energy: 1.23856178807429
Energy: 1.8177278875151859
Energy: 1.2224501505540049
Energy: 1.8177278875163887
Energy: 1.238561788075493
Energy: 1.8177278875163887
Energy: 1.2421454373158622
Energy: 1.3046362397781146
Energy: 1.215962306126588
Energy: 1.304636239776912
Energy: 1.2421454373134564
Energy: 1.304636239776912
Energy: 1.2382726997314482
Energy: 1.2193185122502304
Energy: 1.2349948475819899
Energy: 1.2193185122514332
Energy: 1.238272699732651
Energy: 1.2193185122514332
Energy: 1.737458200532585
Energy: 2.4092601556348328
Energy: 1.345621166031871
Energy: 2.40926015563363
Energy: 1.7374582005313821
Energy: 2.4092601556348328

minimum gb energy = 1.215962306126588 eV
minimum distance =  2.2497611610108 Angstroms
sigma value = 33


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

Energy: 1.7022291311346016
Energy: 0.9518090936925812
Energy: 0.9849824608330446
Energy: 0.9518090936933441
Energy: 1.7022291311368911
Energy: 0.9518090936925812
Energy: 0.9735201424873853
Energy: 1.7706445178394286
Energy: 0.9706504979680551
Energy: 1.7706445178379024
Energy: 0.9735201424889114
Energy: 1.7706445178379024
Energy: 0.9709441700330768
Energy: 1.046047259436681
Energy: 1.3602524026571592
Energy: 1.0460472594389703
Energy: 0.9709441700345682
Energy: 1.0460472594389703
Energy: 1.058707297167414
Energy: 1.6241375423119824
Energy: 0.9717537510347968
Energy: 1.624137542309693
Energy: 1.058707297167414
Energy: 1.6241375423112192
Energy: 1.6474739321365601
Energy: 0.9501238860935183
Energy: 1.6220987280552945
Energy: 0.9501238861003857
Energy: 1.6474739321365601
Energy: 0.9501238861019118
Energy: 1.6469249112765942
Energy: 1.4060008470384027
Energy: 0.972844710817194
Energy: 1.4060008470391656
Energy: 1.6469249112781206
Energy: 1.4060008470399288
Energy: 0.9742069046981774
Energy: 0.9722998317369002
Energy: 0.9881310998082159
Energy: 0.9722998317353739
Energy: 0.9742069046989404
Energy: 0.972299831736137
Energy: 0.988052051059517
Energy: 0.9451868289000724
Energy: 1.6465715624799484
Energy: 0.9451868289000724
Energy: 0.988052051059517
Energy: 0.9451868289000724
Energy: 1.625529556710587
Energy: 1.3711502676367882
Energy: 1.6482924067462188
Energy: 1.3711502676375513
Energy: 1.625529556710587
Energy: 1.371150267638314
Energy: 0.9765297190674492
Energy: 1.1124173684144225
Energy: 0.9565334434221424
Energy: 1.1124173684136593
Energy: 0.9765297190666863
Energy: 1.1124173684136593
Energy: 0.9560856444306577
Energy: 0.9773763537639427
Energy: 0.9957894616733878
Energy: 0.9773763537647059
Energy: 0.9560856444306577
Energy: 0.9773763537654688
Energy: 0.9735680351491025
Energy: 1.030101331844239
Energy: 0.9724048530594914
Energy: 1.030101331845002
Energy: 0.9735680351475763
Energy: 1.0301013318457652
Energy: 1.643154486446948
Energy: 0.9647666919291313
Energy: 1.7128871541996924
Energy: 0.9647666919306227
Energy: 1.6431544864477112
Energy: 0.9647666919298944
Energy: 0.9713838222890113
Energy: 1.648847160659543
Energy: 0.962595581097078
Energy: 1.6488471606587798
Energy: 0.9713838222897744
Energy: 1.6488471606587798
Energy: 1.6236960702618122
Energy: 1.0461617691720049
Energy: 0.9712287464516608
Energy: 1.0461617691720049
Energy: 1.623696070261049
Energy: 1.0461617691712417
Energy: 0.97153012332723
Energy: 1.622564797015369
Energy: 0.9526088780122162
Energy: 1.622564797015369
Energy: 0.9715301233295192
Energy: 1.622564797015369
Energy: 0.9853837308446493
Energy: 0.9506344223794553
Energy: 1.6427100234749268
Energy: 0.9506344223809814
Energy: 0.9853837303138103
Energy: 0.9506344223802182
Energy: 0.9703787161322143
Energy: 0.9730344528460034
Energy: 0.9768869612761867
Energy: 0.9730344528475295
Energy: 0.9703787161322143
Energy: 0.9730344528475295
Energy: 0.9662491579859461
Energy: 0.9729991249133304
Energy: 0.9706533627333582
Energy: 0.9729991249133304
Energy: 0.9662491579859461
Energy: 0.9729991249118043
Energy: 1.6489413599002405
Energy: 0.9459646767074712
Energy: 0.9830565198797064
Energy: 0.9459646767067083
Energy: 1.6489413599002405
Energy: 0.9459646767067083
Energy: 0.953055482161682
Energy: 1.3439371632728043
Energy: 0.9735676436865109
Energy: 1.3439371632720416
Energy: 0.953055482163208
Energy: 1.3439371632720416
Energy: 0.9729852643289659
Energy: 0.9732975107077101
Energy: 1.624616876156225
Energy: 0.9732975107084731
Energy: 0.9729852643282029
Energy: 0.973297510706947
Energy: 0.9845811014356459
Energy: 0.9723390713203975
Energy: 0.9736608398701543
Energy: 0.9723390713211606
Energy: 0.9845811014341199
Energy: 0.9723390713203975
Energy: 1.7122584990839111
Energy: 1.028794410480759
Energy: 0.9562686314805638
Energy: 1.028794410480759
Energy: 1.712258499081622
Energy: 1.0287944104799962
Energy: 0.9734139474240843
Energy: 1.0306347211408713
Energy: 0.956321636722032
Energy: 1.0306347211401081
Energy: 0.9734139474263734
Energy: 1.0306347211401081
Energy: 0.986874713072545
Energy: 1.0322117251364815
Energy: 0.9558582121170847
Energy: 1.0322117251250356
Energy: 0.9868747130717821
Energy: 1.0322117251326661
Energy: 0.9555110287191069
Energy: 0.9731530750009723
Energy: 1.6257054378926472
Energy: 0.9731530749986832
Energy: 0.9555110287191069
Energy: 0.9731530749986832
Energy: 1.6472390177729435
Energy: 1.34400690229521
Energy: 0.9752926513107717
Energy: 1.3440069022929209
Energy: 1.6472390177737064
Energy: 1.3440069022936838
Energy: 1.6474799715126647
Energy: 0.9466040848867473
Energy: 0.9893573931180385
Energy: 0.9466040848890365
Energy: 1.6474799715119015
Energy: 0.9466040848890365
Energy: 0.9834880561388422
Energy: 0.9727984285947923
Energy: 0.9719946992977719
Energy: 0.9727984285978444
Energy: 0.9834880561357898
Energy: 0.9727984285886878
Energy: 0.9713482699610377
Energy: 1.4012276300502888
Energy: 0.9527040377315823
Energy: 1.401227630051815
Energy: 0.9713482699587486
Energy: 1.401227630051815
Energy: 1.2950842753143346
Energy: 0.9487847080075992
Energy: 1.6489193107650237
Energy: 0.9487847080091252
Energy: 1.2950842753150975
Energy: 0.9487847080091252
Energy: 0.9706235390074645
Energy: 1.6227104356435265
Energy: 0.98511467748251
Energy: 1.6227104356450528
Energy: 0.9706235390067014
Energy: 1.6227104356450528
Energy: 0.9730248625687892
Energy: 1.0462798728162812
Energy: 0.9707413919821476
Energy: 1.0462798728162812
Energy: 0.9730248626031264
Energy: 1.0462798728170444
Energy: 0.970539815392822
Energy: 1.6468158584860726
Energy: 0.9624148770719047
Energy: 1.6468158584875987
Energy: 0.970539815394348
Energy: 1.6468158584868358
Energy: 1.6427979510939756
Energy: 0.952310671626709
Energy: 1.7145239874337603
Energy: 0.952310671626709
Energy: 1.642797951093213
Energy: 0.952310671626709
Energy: 0.9716891253155467
Energy: 1.4109327824306561
Energy: 0.9724505141061771
Energy: 1.4109327824306561
Energy: 0.9716891253155467
Energy: 1.4109327824298932

minimum gb energy = 0.9451868289000724 eV
minimum distance =  2.24940150757832 Angstroms
sigma value = 41


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

Energy: 0.3127393969702578
Energy: 0.46011840698900935
Energy: 1.818623407417026
Energy: 0.46011840698692597
Energy: 0.3127395918375749
Energy: 0.46011840698900935
Energy: 1.836399047076221
Energy: 0.42848711446058907
Energy: 0.45978186238755187
Energy: 0.42848711446267235
Energy: 1.8363990470803877
Energy: 0.42848711446267235
Energy: 0.316884909635876
Energy: 0.8864371084216103
Energy: 1.0445573516732296
Energy: 0.886437108419527
Energy: 0.31690147940096974
Energy: 0.886437108419527
Energy: 1.8261729285455015
Energy: 0.43372569918091325
Energy: 0.46075067712105666
Energy: 0.43372569918091325
Energy: 1.8263029928447585
Energy: 0.43372569918091325
Energy: 0.3138496227296921
Energy: 0.42880365177769686
Energy: 0.4607818166566748
Energy: 0.42880365177769686
Energy: 0.3138370956539865
Energy: 0.4288036517818635
Energy: 0.31459899994327856
Energy: 0.42007723884428244
Energy: 0.46124871818010077
Energy: 0.4200772388484492
Energy: 0.3145990001286022
Energy: 0.4200772388380324
Energy: 1.8262112518061742
Energy: 0.43324846563311115
Energy: 0.4608676229081244
Energy: 0.43324846563311115
Energy: 1.8260902282658076
Energy: 0.43324846563311115
Energy: 0.3050460557054586
Energy: 0.4322880261605387
Energy: 0.4608950074604963
Energy: 0.43228802616470546
Energy: 0.30508700471146655
Energy: 0.43228802616470546
Energy: 1.8359145459606923
Energy: 0.42077275565577543
Energy: 0.45985626578885025
Energy: 0.42077275565577543
Energy: 1.835914545958609
Energy: 0.42077275565785877
Energy: 0.31261876132369426
Energy: 0.4591109672073585
Energy: 0.4624263939322375
Energy: 0.45911096721152517
Energy: 0.3127380389068112
Energy: 0.45911096721569183
Energy: 1.83542991158433
Energy: 0.42866563856535617
Energy: 0.5181312392503493
Energy: 0.42866563856952283
Energy: 1.8354299115822468
Energy: 0.42866563856535617
Energy: 0.31709068101311033
Energy: 0.8866627078673939
Energy: 1.5737722727700407
Energy: 0.8866627078653107
Energy: 0.317095399396052
Energy: 0.8866627078653107
Energy: 1.8337142956375632
Energy: 0.4283828251033959
Energy: 0.5181199904081443
Energy: 0.4283828250992292
Energy: 1.8337142956375632
Energy: 0.4283828250992292
Energy: 0.31248824103526573
Energy: 0.45889911910058934
Energy: 0.4624090284716376
Energy: 0.4588991190964226
Energy: 0.31267261245269135
Energy: 0.45889911910267267

minimum gb energy = 0.3050460557054586 eV
minimum distance =  2.40887602119921 Angstroms
sigma value = 11


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

Energy: 2.1841946381516313
Energy: 1.341859960660914
Energy: 1.3711290734867643
Energy: 1.341859960661829
Energy: 2.1841946381525466
Energy: 1.341859960661829
Energy: 1.3430393614616587
Energy: 1.3726110971272714
Energy: 1.3311618426969822
Energy: 1.3726110971272714
Energy: 1.343039361462574
Energy: 1.3726110971272714
Energy: 1.342064122849874
Energy: 1.3750052620621824
Energy: 1.336664432021954
Energy: 1.375005262060352
Energy: 1.342064122849874
Energy: 1.375005262060352
Energy: 1.3694531746120808
Energy: 1.3715115727634608
Energy: 1.3315184407615206
Energy: 1.3715115727625453
Energy: 1.3694531746139111
Energy: 1.3715115727625453
Energy: 1.3366047443569247
Energy: 1.3875948887907197
Energy: 1.371446837172927
Energy: 1.3875948887907197
Energy: 1.3366047443560096
Energy: 1.3875948887925502
Energy: 1.3730427294341387
Energy: 1.3858274991362527
Energy: 1.3419865859806492
Energy: 1.3858274991344222
Energy: 1.3730427294332237
Energy: 1.3858274991353374
Energy: 1.3718566213472776
Energy: 1.387303129834274
Energy: 1.354868910631194
Energy: 1.387303129833359
Energy: 1.3718566213472776
Energy: 1.387303129834274
Energy: 1.342200605408214
Energy: 1.3757507123219188
Energy: 1.3356603312477626
Energy: 1.375750712322834
Energy: 1.3422006054091293
Energy: 1.375750712322834
Energy: 1.3430299125099203
Energy: 1.4622668843501614
Energy: 1.3310625168148515
Energy: 1.4622668843501614
Energy: 1.3430299125108351
Energy: 1.4622668843492461
Energy: 1.339777223882275
Energy: 1.3711596750047106
Energy: 1.3740524734478516
Energy: 1.3711596750037958
Energy: 1.339777223882275
Energy: 1.3711596750028803
Energy: 1.358121452684138
Energy: 1.334710010272068
Energy: 1.3624622636020634
Energy: 1.334710010272068
Energy: 1.358121452684138
Energy: 1.3347100102711529
Energy: 1.3442837986519722
Energy: 1.389655029690913
Energy: 1.359680098413906
Energy: 1.389655029690913
Energy: 1.3442837986519722
Energy: 1.389655029690913
Energy: 1.338252949819283
Energy: 1.3720786083105565
Energy: 1.354286150803984
Energy: 1.3720786083105565
Energy: 1.338252949819283
Energy: 1.3720786083114718
Energy: 1.3752253276666384
Energy: 1.4616579287607625
Energy: 1.3732317755521086
Energy: 1.4616579287607625
Energy: 1.375225327667554
Energy: 1.4616579287607625
Energy: 1.3314960567124263
Energy: 1.4085526496824743
Energy: 1.3431726316189416
Energy: 1.4085526496833898
Energy: 1.3314960567124263
Energy: 1.4085526496843048
Energy: 1.3740697848954981
Energy: 1.3361426227827051
Energy: 1.3608510659093365
Energy: 1.3361426227817896
Energy: 1.3740697848954981
Energy: 1.3361426227817896
Energy: 1.3549131794687888
Energy: 1.3862331355836781
Energy: 1.3438551156931906
Energy: 1.3862331355772715
Energy: 1.3549131794678735
Energy: 1.3862331355772715
Energy: 1.3421318710863583
Energy: 1.405963867009626
Energy: 1.3343760955059971
Energy: 1.4059638670132868
Energy: 1.3421318710863583
Energy: 1.4059638670123715
Energy: 1.3722823663649664
Energy: 1.371126970384434
Energy: 1.3739796479965443
Energy: 1.371126970384434
Energy: 1.3722823663640509
Energy: 1.371126970384434
Energy: 1.3320281966048948
Energy: 1.372504909111972
Energy: 1.3442592586604347
Energy: 1.372504909111057
Energy: 1.3320281966030643
Energy: 1.372504909111057
Energy: 1.3642416804554214
Energy: 1.3900064542838613
Energy: 1.343273548766029
Energy: 1.3900064542875221
Energy: 1.3642416804572515
Energy: 1.3900064542875221
Energy: 1.362323540642801
Energy: 1.3376965307015294
Energy: 1.3730499018846087
Energy: 1.337696530703339
Energy: 1.3623235406418857
Energy: 1.337696530703339
Energy: 1.5290835490836308
Energy: 1.371278065375504
Energy: 1.3559520274067018
Energy: 1.3712780653764192
Energy: 1.5290835490818004
Energy: 1.3712780653764192
Energy: 1.3317870379139558
Energy: 1.4612787511604886
Energy: 1.3428066415923068
Energy: 1.4612787511604886
Energy: 1.3317870379139558
Energy: 1.4612787511604886
Energy: 1.341462465313129
Energy: 1.3754810957110768
Energy: 1.3436600852443767
Energy: 1.3754810957110768
Energy: 1.3414624653122136
Energy: 1.375481095711992
Energy: 1.3597305590910433
Energy: 1.3874495538903069
Energy: 1.3694176729618732
Energy: 1.3874495538893918
Energy: 1.3597305590901283
Energy: 1.3874495538903069
Energy: 1.3387802388600947
Energy: 1.387038841436513
Energy: 1.3381928000978558
Energy: 1.387038841436513
Energy: 1.3387802388610097
Energy: 1.3870388414355979
Energy: 1.3707475035656338
Energy: 1.3884310889752738
Energy: 1.3676152026058763
Energy: 1.3884310889725282
Energy: 1.3707475035656338
Energy: 1.3884310889743585
Energy: 1.3371603378178414
Energy: 1.3713484364308968
Energy: 1.3718866323618728
Energy: 1.3713484364318118
Energy: 1.3371603378178414
Energy: 1.3713484364318118
Energy: 1.3348731518885246
Energy: 1.396941137565606
Energy: 1.3423916569092802
Energy: 1.3969411375646907
Energy: 1.3348731518876096
Energy: 1.396941137565606
Energy: 1.3315600770978893
Energy: 1.3729679837608266
Energy: 1.3414324867896792
Energy: 1.3729679837617421
Energy: 1.3315600770978893
Energy: 1.3729679837617421

minimum gb energy = 1.3310625168148515 eV
minimum distance =  2.24998943867729 Angstroms
sigma value = 57


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

Energy: 1.7308004091131335
Energy: 1.714290718475056
Energy: 1.3961317476751756
Energy: 1.7142907184766845
Energy: 1.7308004091131335
Energy: 1.7142907184734273
Energy: 1.6800452491296765
Energy: 1.6925052429793537
Energy: 1.6698923220153483
Energy: 1.6925052429777252
Energy: 1.6800452491296765
Energy: 1.6925052429793537
Energy: 1.6849537362610323
Energy: 1.7228870632376083
Energy: 1.669719887099314
Energy: 1.7228870632392368
Energy: 1.6849537362610323
Energy: 1.7228870632376083
Energy: 1.670545960050288
Energy: 1.7227807997020004
Energy: 1.6705748921573187
Energy: 1.7227807997020004
Energy: 1.670545960050288
Energy: 1.7227807997020004
Energy: 1.669730072609899
Energy: 1.7228940722901942
Energy: 1.682322256302183
Energy: 1.7228940722918227
Energy: 1.6697300726115274
Energy: 1.7228940722901942
Energy: 1.6698860174417234
Energy: 1.6706437288991942
Energy: 1.6798228609965176
Energy: 1.670643728895937
Energy: 1.669886017440095
Energy: 1.670643728895937
Energy: 1.785850918038926
Energy: 1.7142907184766845
Energy: 1.7308004091115048
Energy: 1.714290718475056
Energy: 1.785850918038926
Energy: 1.7142907184783132
Energy: 1.6698923220153483
Energy: 1.6925052429777252
Energy: 1.6800452491280478
Energy: 1.6925052429793537
Energy: 1.6698923220153483
Energy: 1.6925052429777252
Energy: 1.6697198870976855
Energy: 1.7228870632392368
Energy: 1.6849537362610323
Energy: 1.7228870632392368
Energy: 1.6697198870976855
Energy: 1.7228870632392368
Energy: 1.6705748921589474
Energy: 1.7227807997068862
Energy: 1.6705459600519166
Energy: 1.7227807997052575
Energy: 1.6705748921573187
Energy: 1.7227807997231357
Energy: 1.682322256302183
Energy: 1.7228940722886026
Energy: 1.669730072609899
Energy: 1.7228940722901942
Energy: 1.6823222563005542
Energy: 1.7228940722901942
Energy: 1.6798228609965176
Energy: 1.6706437288975655
Energy: 1.669886017443352
Energy: 1.6706437288991942
Energy: 1.6798228609948886
Energy: 1.6706437288991942
Energy: 1.7308004091131335
Energy: 1.714290718475056
Energy: 1.7858509180372972
Energy: 1.714290718475056
Energy: 1.7308004091131335
Energy: 1.714290718475056
Energy: 1.6800452491296765
Energy: 1.6925052429777252
Energy: 1.6698923220137196
Energy: 1.6925052429793537
Energy: 1.680045249131305
Energy: 1.6925052429809824
Energy: 1.6849537362594036
Energy: 1.7228870632408655
Energy: 1.669719887099314
Energy: 1.7228870632392368
Energy: 1.6849537362610323
Energy: 1.7228870632408655
Energy: 1.6705459600519166
Energy: 1.7227807997020004
Energy: 1.6705748921589474
Energy: 1.7227807997117721
Energy: 1.6705459600519166
Energy: 1.7227807997085147
Energy: 1.669730072609899
Energy: 1.7228940722918227
Energy: 1.682322256302183
Energy: 1.7228940722901942
Energy: 1.669730072609899
Energy: 1.7228940722901942

minimum gb energy = 1.3961317476751756 eV
minimum distance =  2.25103496933922 Angstroms
sigma value = 9


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

Energy: 1.5090201626068747
Energy: 1.509131957858206
Energy: 1.7184514308477057
Energy: 1.509131957858206
Energy: 1.5090201626082047
Energy: 1.509131957858206
Energy: 1.4989184706780432
Energy: 1.527485619679296
Energy: 1.6849520412327255
Energy: 1.527485619679296
Energy: 1.4989184706767136
Energy: 1.5274856196806261
Energy: 1.7201334963360353
Energy: 1.6482188485113698
Energy: 1.6885114617677512
Energy: 1.6482188485113698
Energy: 1.7201334963360353
Energy: 1.6482188485113698
Energy: 1.7199505492636555
Energy: 1.7454569285846628
Energy: 1.5135813131607132
Energy: 1.7454569285859929
Energy: 1.719950549266315
Energy: 1.7454569285846628
Energy: 1.5008711805737611
Energy: 1.8208168480077713
Energy: 1.6838057529731094
Energy: 1.8208168480091014
Energy: 1.500871180575091
Energy: 1.820816848010431
Energy: 1.7199373418592223
Energy: 1.7205919510855492
Energy: 1.686518803752605
Energy: 1.7205919510828898
Energy: 1.7199373418592223
Energy: 1.7205919510828898
Energy: 1.7214991980996917
Energy: 1.6518672075606389
Energy: 1.6881297654020215
Energy: 1.6518672075593093
Energy: 1.7214991980996917
Energy: 1.6518672075593093
Energy: 1.4977858318914394
Energy: 1.5230371308508568
Energy: 1.6798186801222512
Energy: 1.523037130849527
Energy: 1.4977858318901094
Energy: 1.5230371308508568
Energy: 1.4977084523624495
Energy: 1.6255786840505957
Energy: 1.5121363014376885
Energy: 1.6255786840559145
Energy: 1.49770845236112
Energy: 1.6255786840466062
Energy: 1.718779202131924
Energy: 1.5099480682961384
Energy: 1.6819539203519933
Energy: 1.5099480682961384
Energy: 1.7187792021305939
Energy: 1.5099480682961384
Energy: 1.722626876989025
Energy: 1.729752751641015
Energy: 1.6029527591821295
Energy: 1.7297527516396853
Energy: 1.722626876989025
Energy: 1.7297527516396853
Energy: 1.719648863506186
Energy: 1.724028954640495
Energy: 1.5124681299120548
Energy: 1.7240289546391654
Energy: 1.719648863506186
Energy: 1.7240289546391654
Energy: 1.7220124500307485
Energy: 1.6567832835830432
Energy: 1.6042332133165125
Energy: 1.6567832835883622
Energy: 1.7220124500320784
Energy: 1.6567832835870322
Energy: 1.719747258866311
Energy: 1.7206937571949676
Energy: 1.510256996056132
Energy: 1.7206937571989571
Energy: 1.7197472588676406
Energy: 1.720693757200287
Energy: 1.7184852841534093
Energy: 1.4967302049308449
Energy: 1.6942240542035392
Energy: 1.496730204929515
Energy: 1.718485284154739
Energy: 1.4967302049308449
Energy: 1.4957966335209127
Energy: 1.6210292467725624
Energy: 1.5126962965493502
Energy: 1.6210292467765515
Energy: 1.4957966335209127
Energy: 1.6210292467765515
Energy: 1.4945000888979336
Energy: 1.6190220642655235
Energy: 1.606112220491062
Energy: 1.6190220642641937
Energy: 1.4945000888992634
Energy: 1.6190220642655235
Energy: 1.5919262846326152
Energy: 1.654245256300937
Energy: 1.6811103343893872
Energy: 1.6542452562969479
Energy: 1.5919262846326152
Energy: 1.6542452562969479
Energy: 1.7226396068464396
Energy: 1.7231314619603784
Energy: 1.5970508091106659
Energy: 1.7231314619603784
Energy: 1.7226396068477692
Energy: 1.7231314619603784
Energy: 1.7198589497728762
Energy: 1.8161701194942277
Energy: 1.696877936557625
Energy: 1.8161701194942277
Energy: 1.7198589497715766
Energy: 1.8161701194955575
Energy: 1.7227769451508959
Energy: 1.745880131269466
Energy: 1.5113286804929151
Energy: 1.7458801312707959
Energy: 1.7227769451495663
Energy: 1.7458801312707959

minimum gb energy = 1.4945000888979336 eV
minimum distance =  2.2550035049834 Angstroms
sigma value = 27


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

Energy: 1.6893555616622264
Energy: 1.659028940820638
Energy: 1.674215633397613
Energy: 1.6590289408228798
Energy: 1.6893555616611058
Energy: 1.6590289408228798
Energy: 1.636404283650033
Energy: 1.6312928170023435
Energy: 1.6321523311501418
Energy: 1.6312928170023435
Energy: 1.6364042836489119
Energy: 1.6312928170023435
Energy: 1.619628017830746
Energy: 1.619809471188798
Energy: 1.6322141857318497
Energy: 1.619809471187677
Energy: 1.6196280178285296
Energy: 1.619809471187677
Energy: 1.6358097513007244
Energy: 1.6609896579165955
Energy: 1.619176505714512
Energy: 1.6609896579165955
Energy: 1.6358097513007244
Energy: 1.6609896579154746
Energy: 1.6403510118638005
Energy: 1.846506619479296
Energy: 1.640232468479489
Energy: 1.846506619479296
Energy: 1.6403510118649216
Energy: 1.846506619480417
Energy: 1.6201139322268032
Energy: 1.6200266247198976
Energy: 1.6196706536573555
Energy: 1.6200266247210184
Energy: 1.6201139322268032
Energy: 1.6200266247210184
Energy: 1.5906888136282322
Energy: 1.6575120193633528
Energy: 1.635682197012421
Energy: 1.657512019362232
Energy: 1.5906888136282322
Energy: 1.657512019362232
Energy: 1.6323754756161875
Energy: 1.6564177694430533
Energy: 1.6357192209768832
Energy: 1.6564177694419322
Energy: 1.6323754756173081
Energy: 1.6564177694419322
Energy: 1.6369662788226236
Energy: 1.79007844661168
Energy: 1.6746130127223386
Energy: 1.79007844661168
Energy: 1.6369662788226236
Energy: 1.79007844661168
Energy: 1.632091888998286
Energy: 1.6331809101866195
Energy: 1.695260333771845
Energy: 1.6331809101877406
Energy: 1.6320918889994067
Energy: 1.6331809101877406
Energy: 1.631696160084953
Energy: 1.6426112115272677
Energy: 1.6952588573568574
Energy: 1.6426112115295095
Energy: 1.631696160084953
Energy: 1.6426112115283886
Energy: 1.6329831075196382
Energy: 1.635299649379937
Energy: 1.6289775670138902
Energy: 1.6352996493788161
Energy: 1.6329831075207588
Energy: 1.6352996493788161
Energy: 1.632521339159788
Energy: 1.6389084415617543
Energy: 1.635162099561457
Energy: 1.6389084415606332
Energy: 1.632521339159788
Energy: 1.6389084415606332
Energy: 1.640772189123221
Energy: 1.783696743775437
Energy: 1.6359178702587973
Energy: 1.783696743776558
Energy: 1.640772189123221
Energy: 1.783696743775437
Energy: 1.6194066144357702
Energy: 1.6762850404134861
Energy: 1.6197845040470233
Energy: 1.676285040414607
Energy: 1.619406614436891
Energy: 1.676285040414607
Energy: 1.6403749040546596
Energy: 1.846506619479296
Energy: 1.6406277830878087
Energy: 1.8465066194815378
Energy: 1.6403749040546596
Energy: 1.8465066194815378
Energy: 1.6361472394902508
Energy: 1.794373085040752
Energy: 1.629501280449665
Energy: 1.794373085040752
Energy: 1.6361472394891299
Energy: 1.7943730850418729
Energy: 1.6195616002100102
Energy: 1.619580642994542
Energy: 1.6322066567507494
Energy: 1.6195806429923
Energy: 1.6195616002100102
Energy: 1.6195806429923
Energy: 1.6372671181823024
Energy: 1.6209559487886427
Energy: 1.63226962351102
Energy: 1.6209559487864011
Energy: 1.6372671181823024
Energy: 1.6209559487864011
Energy: 1.6893555616633475
Energy: 1.6590289408228798
Energy: 1.674215633397613
Energy: 1.6590289408251215
Energy: 1.6893555616633475
Energy: 1.6590289408251215
Energy: 1.636404283647791
Energy: 1.6312928170023435
Energy: 1.632152331149021
Energy: 1.6312928170012226
Energy: 1.6364042836489119
Energy: 1.6312928170012226
Energy: 1.6196280178296505
Energy: 1.6198094711854354
Energy: 1.6322141857318497
Energy: 1.6198094711854354
Energy: 1.619628017831867
Energy: 1.6198094711854354
Energy: 1.6358097513040872
Energy: 1.6609896579132326
Energy: 1.6191765057111496
Energy: 1.6609896579143537
Energy: 1.6358097513040872
Energy: 1.6609896579132326
Energy: 1.6403510118638005
Energy: 1.846506619479296
Energy: 1.640232468479489
Energy: 1.8465066194781752
Energy: 1.6403510118638005
Energy: 1.8465066194781752
Energy: 1.6201139322301659
Energy: 1.6200266247210184
Energy: 1.6196706536573555
Energy: 1.6200266247232604
Energy: 1.620113932229045
Energy: 1.6200266247221395

minimum gb energy = 1.5906888136282322 eV
minimum distance =  2.29075742140068 Angstroms
sigma value = 19


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

Energy: 1.5443453301014745
Energy: 1.5263244487291587
Energy: 1.56757072482603
Energy: 1.5263244487291587
Energy: 1.5443453301005068
Energy: 1.5263244487291587
Energy: 1.5048303549949957
Energy: 1.5008225307994625
Energy: 1.5053793802641433
Energy: 1.5008225307975274
Energy: 1.5048303549949957
Energy: 1.5008225307965597
Energy: 1.5126504330513622
Energy: 1.505504023656195
Energy: 1.5053494275013173
Energy: 1.5055040236571624
Energy: 1.5126504330523296
Energy: 1.50550402365813
Energy: 1.505765493092855
Energy: 1.5088133739801255
Energy: 1.5096157784022164
Energy: 1.5088133739801255
Energy: 1.5057654930938225
Energy: 1.5088133739810932
Energy: 1.5063245505352236
Energy: 1.5604333464886964
Energy: 1.5129652087985885
Energy: 1.560433346487729
Energy: 1.506324550534256
Energy: 1.560433346487729
Energy: 1.5252717347107896
Energy: 1.5002642861320243
Energy: 1.505471113854212
Energy: 1.5002642861310567
Energy: 1.5252717347107896
Energy: 1.5002642861233162
Energy: 1.5065312318025657
Energy: 1.8759107599882463
Energy: 1.5102585209167614
Energy: 1.8759107599872786
Energy: 1.5065312318035333
Energy: 1.8759107599872786
Energy: 1.507986154196743
Energy: 1.5019039887610557
Energy: 1.5058762639296623
Energy: 1.5019039887629908
Energy: 1.5079861541938404
Energy: 1.5019039887629908
Energy: 1.5063103942184044
Energy: 1.4993933373143058
Energy: 1.5335151019295084
Energy: 1.4993933373191437
Energy: 1.5063103942184044
Energy: 1.4993933373152735
Energy: 1.5088555925231402
Energy: 1.5404558752502897
Energy: 1.5057221243081247
Energy: 1.5404558752483546
Energy: 1.5088555925241078
Energy: 1.5404558752473871
Energy: 1.5110528653682975
Energy: 1.4808344713260773
Energy: 1.5044380602741916
Energy: 1.4808344713251096
Energy: 1.5110528653682975
Energy: 1.4808344713260773
Energy: 1.4728703988163225
Energy: 1.4690374695206019
Energy: 1.5060255979517019
Energy: 1.4690374695196347
Energy: 1.4728703988153549
Energy: 1.4690374695206019
Energy: 1.459401452577248
Energy: 1.5502415498806574
Energy: 1.5071202237630195
Energy: 1.5502415498806574
Energy: 1.4594014525762804
Energy: 1.5502415498806574
Energy: 1.5237476641759242
Energy: 1.4812818425048149
Energy: 1.4822964247171133
Energy: 1.4812818425057825
Energy: 1.5237476641768917
Energy: 1.4812818425057825
Energy: 1.512551993107493
Energy: 1.510830769690621
Energy: 1.5072915875166026
Energy: 1.5108307696896535
Energy: 1.5125519931094282
Energy: 1.5108307696896535
Energy: 1.5127981588060522
Energy: 1.8127583943295908
Energy: 1.4707073407314835
Energy: 1.812758394331526
Energy: 1.5127981588060522
Energy: 1.812758394331526
Energy: 1.512506513394219
Energy: 1.8124855501081478
Energy: 1.4693351226600389
Energy: 1.8124855501110506
Energy: 1.5125065133932514
Energy: 1.8124855501110506
Energy: 1.5131767377565049
Energy: 1.5446091559863602
Energy: 1.5062116028402235
Energy: 1.5444907308349942
Energy: 1.5131767377574725
Energy: 1.544490919995297
Energy: 1.5124923197542404
Energy: 1.8124858768444154
Energy: 1.4694822687116469
Energy: 1.812485876843448
Energy: 1.5124923197561755
Energy: 1.8124858768444154
Energy: 1.5127188626173864
Energy: 1.8127496241960652
Energy: 1.4707115966695978
Energy: 1.8127496241960652
Energy: 1.5127188626173864
Energy: 1.8127496241950976
Energy: 1.5125228722028095
Energy: 1.5109261525865485
Energy: 1.5072929645683513
Energy: 1.510926152585581
Energy: 1.5125228722028095
Energy: 1.510926152585581
Energy: 1.5237113894737386
Energy: 1.4812894275418869
Energy: 1.4822798146267653
Energy: 1.4812894275409194
Energy: 1.5237113894737386
Energy: 1.4812894275418869
Energy: 1.4593467527448356
Energy: 1.5502364043394876
Energy: 1.5071098452538447
Energy: 1.55023640433852
Energy: 1.4593467527458033
Energy: 1.5502364043394876
Energy: 1.472791597624745
Energy: 1.4690921177067753
Energy: 1.5061137302364176
Energy: 1.469092117707743
Energy: 1.472791597624745
Energy: 1.469092117707743
Energy: 1.5110265416456168
Energy: 1.4808835564684963
Energy: 1.504627464262907
Energy: 1.4808835564665612
Energy: 1.5110265416446491
Energy: 1.4808835564665612
Energy: 1.508910120205945
Energy: 1.5404742239643705
Energy: 1.5054928749283598
Energy: 1.540474223965338
Energy: 1.5089101202049775
Energy: 1.540474223965338
Energy: 1.5062884324332828
Energy: 1.500420026460598
Energy: 1.5301751293811234
Energy: 1.5004200264615655
Energy: 1.5062884324323151
Energy: 1.500420026460598
Energy: 1.5078661837328082
Energy: 1.5018736088515117
Energy: 1.5058682468870497
Energy: 1.5018736088534468
Energy: 1.5078661837328082
Energy: 1.5018736088534468
Energy: 1.5065078295921412
Energy: 1.875910759984376
Energy: 1.5102502289301547
Energy: 1.8759107599853435
Energy: 1.506507829593109
Energy: 1.8759107599853435

minimum gb energy = 1.4593467527448356 eV
minimum distance =  2.25721059331397 Angstroms
sigma value = 101


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

Energy: 1.489901494479139
Energy: 1.512856897986059
Energy: 1.4908848263275414
Energy: 1.5128568979869097
Energy: 1.489901494479139
Energy: 1.5128568979869097
Energy: 1.4969033200625346
Energy: 1.4859525752139349
Energy: 1.4978327968694605
Energy: 1.4859525752139349
Energy: 1.4969033200625346
Energy: 1.4859525752139349
Energy: 1.4885977680113733
Energy: 1.4756788543320751
Energy: 1.499855070020482
Energy: 1.4756788543312243
Energy: 1.488597768010523
Energy: 1.4756788543320751
Energy: 1.4725267802755468
Energy: 1.6232759276014188
Energy: 1.4789226584282813
Energy: 1.6232759276039705
Energy: 1.4725267802755468
Energy: 1.6232759276031201
Energy: 1.4934168554880725
Energy: 1.5174646895362192
Energy: 1.477006009015024
Energy: 1.5174646895362192
Energy: 1.4934168554897738
Energy: 1.5174646895353685
Energy: 1.4853535941931175
Energy: 1.7395445045328009
Energy: 1.496178354084146
Energy: 1.7395445045336515
Energy: 1.4853535941931175
Energy: 1.7395445045328009
Energy: 1.477249558045017
Energy: 1.7681378742036886
Energy: 1.4938307435944034
Energy: 1.7681378742045393
Energy: 1.477249558045017
Energy: 1.7681378742036886
Energy: 1.4797924272266305
Energy: 1.6420504155508822
Energy: 1.4837768703035195
Energy: 1.6420504155500317
Energy: 1.47979242722578
Energy: 1.6420504155500317
Energy: 1.4947423796573605
Energy: 1.7411505220290755
Energy: 1.4875559251795905
Energy: 1.7411505220282248
Energy: 1.4947423796573605
Energy: 1.7411505220282248
Energy: 1.4836658918465253
Energy: 1.740628584392376
Energy: 1.4970070263241566
Energy: 1.7406285843915255
Energy: 1.4836658918456749
Energy: 1.7406285843915255
Energy: 1.4959219223098439
Energy: 1.745737504313259
Energy: 1.4889977461798471
Energy: 1.7457375043141095
Energy: 1.4959219223106557
Energy: 1.7457375043141095
Energy: 1.497700621043472
Energy: 1.4785530096226545
Energy: 1.4968955816550926
Energy: 1.4785530096235049
Energy: 1.497700621043472
Energy: 1.4785530096235049
Energy: 1.499857694078831
Energy: 1.4873312826424205
Energy: 1.4730848350769727
Energy: 1.4873312826441216
Energy: 1.4998576940779806
Energy: 1.4873312826432712
Energy: 1.4794297622585317
Energy: 1.487529133061245
Energy: 1.4955580204032248
Energy: 1.4875291330586935
Energy: 1.4794297622585317
Energy: 1.487529133057843
Energy: 1.4935666525740814
Energy: 1.5261336275828112
Energy: 1.4952818601902955
Energy: 1.5261336275828112
Energy: 1.4935666525732307
Energy: 1.5261336275836621
Energy: 1.4968902232586945
Energy: 1.4741856701025973
Energy: 1.4853189149439752
Energy: 1.4741856701042986
Energy: 1.4968902232586945
Energy: 1.4741856701042986
Energy: 1.4938960946846163
Energy: 1.4858746764802977
Energy: 1.4749611450301847
Energy: 1.4858746764794473
Energy: 1.4938960946846163
Energy: 1.4858746764802977
Energy: 1.483789545289722
Energy: 1.4822890351636082
Energy: 1.4827084384541773
Energy: 1.4822890351636082
Energy: 1.4837895452905725
Energy: 1.4822890351644586
Energy: 1.5084961174550844
Energy: 1.7460155437834062
Energy: 1.4855188892298294
Energy: 1.7460155437842566
Energy: 1.508496117454234
Energy: 1.7460155437834062
Energy: 1.4972076594742827
Energy: 1.7675927503448612
Energy: 1.4820476068797206
Energy: 1.7675927503448612
Energy: 1.4972076594717312
Energy: 1.7675927503440108
Energy: 1.5080973912953912
Energy: 1.4821101464016573
Energy: 1.487997571736212
Energy: 1.4821101463982553
Energy: 1.5080973912945408
Energy: 1.4821101464008068
Energy: 1.4985806935527615
Energy: 1.7460262584418098
Energy: 1.4844807773803674
Energy: 1.7460262584409594
Energy: 1.4985806935536121
Energy: 1.7460262584409594
Energy: 1.485847289249406
Energy: 1.739574669678316
Energy: 1.4946982225715804
Energy: 1.739574669676615
Energy: 1.4858472892511072
Energy: 1.739574669676615
Energy: 1.4723170002639259
Energy: 1.6318556460042133
Energy: 1.4989386637555404
Energy: 1.631855646005064
Energy: 1.4723170002630754
Energy: 1.631855646005064
Energy: 1.494288980270326
Energy: 1.5331351843297298
Energy: 1.4934441020393727
Energy: 1.5331351843305803
Energy: 1.494288980270326
Energy: 1.5331351843314307
Energy: 1.4721446210521614
Energy: 1.4872686155043002
Energy: 1.4969103069875072
Energy: 1.4872686155051509
Energy: 1.4721446210521614
Energy: 1.4872686155051509
Energy: 1.494830494344065
Energy: 1.4854086590156934
Energy: 1.4943742686480332
Energy: 1.485408659016544
Energy: 1.4948304943474666
Energy: 1.4854086590156934
Energy: 1.4952073702929056
Energy: 1.4861693816838222
Energy: 1.4967275182466486
Energy: 1.486169381684673
Energy: 1.495207370293756
Energy: 1.486169381684673
Energy: 1.4911298063699467
Energy: 1.4877163231838653
Energy: 1.5108509615721348
Energy: 1.4877163231855661
Energy: 1.4911298063690963
Energy: 1.4877163231855661
Energy: 1.4829416327178726
Energy: 1.4774660228817158
Energy: 1.4974769926732852
Energy: 1.4774660228808651
Energy: 1.4829416327204241
Energy: 1.4774660228808651
Energy: 1.4749961014324706
Energy: 1.479997676681719
Energy: 1.4837526320298569
Energy: 1.4799976766834202
Energy: 1.4749961014341717
Energy: 1.4799976766842706
Energy: 1.4716318705271665
Energy: 1.7447418859119077
Energy: 1.4957898240503888
Energy: 1.7447418859119077
Energy: 1.471631870528017
Energy: 1.7447418859119077
Energy: 1.4947923613703205
Energy: 1.4946801000213232
Energy: 1.485326494517832
Energy: 1.4946801000213232
Energy: 1.4947923613703205
Energy: 1.4946801000204728

minimum gb energy = 1.4716318705271665 eV
minimum distance =  2.30487169569021 Angstroms
sigma value = 33


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

Energy: 0.01457623095934628
Energy: 0.025514098125947883
Energy: 1.2146133479665535
Energy: 0.025514098125947883
Energy: 0.01457623095934628
Energy: 0.025514098125947883
Energy: 0.015197678310211174
Energy: 0.7465153852169628
Energy: 0.015197678310211174
Energy: 0.7465153852120947
Energy: 0.015197678310211174
Energy: 0.7465153852155496
Energy: 1.2146133479623922
Energy: 0.025514098125280472
Energy: 0.01457623095934628
Energy: 0.025514098125947883
Energy: 1.2146133479630987
Energy: 0.025514098125947883
Energy: 0.015197678310211174
Energy: 0.7465153852128014
Energy: 0.015197678310211174
Energy: 0.7465153852128014
Energy: 0.015197678310211174
Energy: 0.7465153852169628

minimum gb energy = 0.01457623095934628 eV
minimum distance =  2.46077751641644 Angstroms
sigma value = 1