Model name: model_name=SNAP_LiHuChen_2018_Cu__MO_529419924683_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6336620748043056
cohesive_energy=2.566513389751755
mass=63.546
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: -1.53523501962818 eV

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

Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 0.00983006625298353
Energy: 1.0050527058410101
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 1.0050527058410101
Energy: 0.009941571717125113
Energy: 1.0050527058410101
Energy: 0.009941571717125113

minimum gb energy = 0.00983006625298353 eV
minimum distance =  2.5677747328678 Angstroms
sigma value = 1


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

Energy: 0.9753160848264502
Energy: 0.8842229544924026
Energy: 0.9753160848264502
Energy: 0.8842229544924026
Energy: 0.9753160848257031
Energy: 0.8842229544924026
Energy: 1.0151849754529219
Energy: 0.8107802780947275
Energy: 0.7127896564784191
Energy: 0.8107802780947275
Energy: 0.7133168155975137
Energy: 0.8107802780947275
Energy: 0.8991327783496658
Energy: 0.9434239256938401
Energy: 0.8991327783496658
Energy: 0.9434234465009652
Energy: 0.8991327783496658
Energy: 0.9434152580944043
Energy: 1.0241986868637567
Energy: 0.8661511239124547
Energy: 1.0241986066044284
Energy: 0.8661511239124547
Energy: 1.0241984531791992
Energy: 0.8661511239124547
Energy: 0.9100281808313733
Energy: 0.9887398165647016
Energy: 0.9100281808313733
Energy: 0.9887398182279117
Energy: 0.9100281808313733
Energy: 0.9887398131905307
Energy: 0.968675506176443
Energy: 0.8425097822330697
Energy: 0.968675506176443
Energy: 0.8425097822330697
Energy: 0.968675506176443
Energy: 0.8425097822330697
Energy: 0.9012816044996916
Energy: 0.9483469251636336
Energy: 0.9012816044503792
Energy: 0.9483469246468372
Energy: 0.901281604336879
Energy: 0.948346923864154
Energy: 0.8599579943182707
Energy: 1.0225520116147295
Energy: 0.8599579943182707
Energy: 1.0225223042871618
Energy: 0.8599579943190179
Energy: 0.7002133232019515
Energy: 0.9752007068002552
Energy: 0.9492897884442237
Energy: 0.9752007068002552
Energy: 0.9492897884434766
Energy: 0.9752007068002552
Energy: 0.9492897884442237
Energy: 0.8089199031588338
Energy: 1.081321228971131
Energy: 0.8089199031588338
Energy: 1.0813212094595106
Energy: 0.8089199031588338
Energy: 1.0813211882085378
Energy: 1.1456413431414263
Energy: 0.8496814770557776
Energy: 1.1456413431414263
Energy: 0.8496814770557776
Energy: 1.1456413431414263
Energy: 0.8496814770557776
Energy: 0.7816725594225892
Energy: 0.6897277988554619
Energy: 0.7816725594225892
Energy: 0.6892680811853621
Energy: 0.7816725594225892
Energy: 0.6806366246574221
Energy: 0.6667544594221645
Energy: 0.7706975420245941
Energy: 0.6751901451550889
Energy: 0.7706975420245941
Energy: 0.6736690817163117
Energy: 0.7706975420253411
Energy: 0.8608329737302293
Energy: 0.679655133808077
Energy: 0.8608329737302293
Energy: 0.6795177602480086
Energy: 0.8608329737302293
Energy: 0.679734162739758
Energy: 1.0855560907488255
Energy: 0.8094216106626401
Energy: 1.0855527253337491
Energy: 0.8094216106626401
Energy: 1.0855298468253418
Energy: 0.8094216106618929
Energy: 1.0773531834372905
Energy: 1.0222272336053204
Energy: 1.0773531834372905
Energy: 1.0222272336053204
Energy: 1.0773531834372905
Energy: 1.0222272336053204
Energy: 0.933997341907732
Energy: 0.9202869445603397
Energy: 0.933997341907732
Energy: 0.9202869445603397
Energy: 0.933997341907732
Energy: 0.9202869445603397
Energy: 0.9337081696727778
Energy: 0.877570333211605
Energy: 0.9337081696697891
Energy: 0.8775703279457292
Energy: 0.9337081696660533
Energy: 0.8775703206455088
Energy: 0.8095081460689821
Energy: 0.938008097128835
Energy: 0.8095081460689821
Energy: 0.938008097128835
Energy: 0.8692685649714622
Energy: 0.938008097128088
Energy: 0.6771673713538721
Energy: 0.8422097441860423
Energy: 0.6786071348072403
Energy: 0.8422097441860423
Energy: 0.6777148793266884
Energy: 0.8422097441852953
Energy: 0.8249159103595275
Energy: 0.6931903181922169
Energy: 0.8249159103595275
Energy: 0.6937594570026382
Energy: 0.8249159103588143
Energy: 0.7053695108495193
Energy: 0.9458890110547308
Energy: 0.9495568937966645
Energy: 0.9458890110547308
Energy: 0.9495568937966645
Energy: 0.9458890110547308
Energy: 0.9495568937966645
Energy: 0.7759770899663866
Energy: 1.010499309908775
Energy: 0.7759770899663866
Energy: 1.010499307329242
Energy: 0.7759770899663866
Energy: 1.0104993036645622

minimum gb energy = 0.6667544594221645 eV
minimum distance =  2.295903475547 Angstroms
sigma value = 33


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

Energy: 0.8097201259572443
Energy: 0.7773174211110204
Energy: 0.9912722614024349
Energy: 0.787287440504961
Energy: 0.8100086283252002
Energy: 0.7776384190115647
Energy: 0.8182694947136276
Energy: 0.8738666775041578
Energy: 0.818184721128627
Energy: 0.8738666775041578
Energy: 0.8180491130101886
Energy: 0.8738666775041578
Energy: 0.8294681879022866
Energy: 0.7334337298780793
Energy: 0.8294681879022866
Energy: 0.7334337298912539
Energy: 0.8294681879022866
Energy: 0.7334337299057032
Energy: 0.8109195921017561
Energy: 0.7060038170564414
Energy: 0.8105184502023568
Energy: 0.7060037698084677
Energy: 0.8101746130060472
Energy: 0.7060038674933603
Energy: 0.7715276402652451
Energy: 0.7898077089022605
Energy: 0.7713684925885665
Energy: 0.789807727492477
Energy: 0.7714385857066841
Energy: 0.7898077517243612
Energy: 0.8071995642407156
Energy: 0.8132409105954419
Energy: 0.8071995642747143
Energy: 0.8053356503037952
Energy: 0.8071995643073991
Energy: 0.8132409105954419
Energy: 0.7770487971985958
Energy: 0.8837470508893617
Energy: 0.7769516454553356
Energy: 0.8458961554195316
Energy: 0.7783333117987943
Energy: 0.8837463516238936
Energy: 0.7459548030535078
Energy: 0.7652163926257485
Energy: 0.7459548030530828
Energy: 0.7649723634683782
Energy: 0.7459548030530828
Energy: 0.7649872957830002
Energy: 0.6923585846249931
Energy: 0.8348558351915262
Energy: 0.6924864363793206
Energy: 0.8348558351915262
Energy: 0.6926129156298144
Energy: 0.8348558351915262
Energy: 0.7978287201739053
Energy: 0.8383427741253835
Energy: 0.7978060881578769
Energy: 0.8383786633680463
Energy: 0.7978287201743302
Energy: 0.8319945308240478
Energy: 0.7971694043044543
Energy: 0.8020202357187544
Energy: 0.7971694807318889
Energy: 0.8020202357183294
Energy: 0.7971695545642706
Energy: 0.8020202357183294
Energy: 0.8322807272485909
Energy: 0.8722156548148555
Energy: 0.8322812963537036
Energy: 0.8722156548148555
Energy: 0.8322807272490158
Energy: 0.8722156548148555
Energy: 0.7111174819107485
Energy: 0.8068063107061457
Energy: 0.7111629712537728
Energy: 0.8068063107065707
Energy: 0.7109718870123807
Energy: 0.8068063107065707
Energy: 0.9675920485010354
Energy: 0.7682942487237763
Energy: 0.9675920485010354
Energy: 0.7684916703411637
Energy: 0.9675920485010354
Energy: 0.7686882716700226
Energy: 0.7754659705847665
Energy: 0.6960422984348112
Energy: 0.7769170444264893
Energy: 0.6961773346776439
Energy: 0.7768415720465742
Energy: 0.6937148261580218
Energy: 0.8096927171473552
Energy: 0.6968041581047014
Energy: 0.809692716940505
Energy: 0.6968041594173147
Energy: 0.809692716788014
Energy: 0.6968041604155576
Energy: 0.809981897680487
Energy: 0.7190331023195605
Energy: 0.8100395529450882
Energy: 0.7190331461785388
Energy: 0.8101156809200306
Energy: 0.7190331831724819
Energy: 0.7653956162615371
Energy: 0.8056921617347383
Energy: 0.7656227900659868
Energy: 0.8058540737302042
Energy: 0.7655945959059541
Energy: 0.8056921617372883
Energy: 0.8830647523825642
Energy: 0.8204081858071611
Energy: 0.8830647523825642
Energy: 0.7883283180413512
Energy: 0.8830647523825642
Energy: 0.820408185808011
Energy: 0.9301168533610296
Energy: 0.9689503267287167
Energy: 0.9301170882918396
Energy: 1.0078929874532236
Energy: 0.930117325316456
Energy: 0.9689503267287167
Energy: 0.7343461719295231
Energy: 0.7800832124647075
Energy: 0.734346171929098
Energy: 0.7801473792469936
Energy: 0.734346171929098
Energy: 0.7801227327271076
Energy: 0.6896086173530589
Energy: 0.8349684386142628
Energy: 0.6896086167222317
Energy: 0.8349684386142628
Energy: 0.6896086161674764
Energy: 0.8349684386142628
Energy: 0.7990504382336293
Energy: 0.832666645829728
Energy: 0.7990415516522288
Energy: 0.8324760924807746
Energy: 0.7990504382336293
Energy: 0.8321657603634763
Energy: 0.7838329232678719
Energy: 0.9429738504649119
Energy: 0.7838326111156462
Energy: 0.9429738504649119
Energy: 0.7838323312251946
Energy: 0.9429738504649119
Energy: 0.8167165812481744
Energy: 0.7997877085671722
Energy: 0.8254197189700214
Energy: 0.7997877085268377
Energy: 0.81671658123755
Energy: 0.7997877085026137
Energy: 0.7850988078134331
Energy: 0.9373475543440214
Energy: 0.7042608958952395
Energy: 0.9373477209502871
Energy: 0.7853690152892913
Energy: 0.9373478710053781
Energy: 0.7649322436967237
Energy: 0.7103732226772356
Energy: 0.7013028385873228
Energy: 0.7103743975084638
Energy: 0.764838916705494
Energy: 0.7103642920613781
Energy: 0.8248067429091314
Energy: 0.7070082931511205
Energy: 0.8248067429091314
Energy: 0.7069569053658475
Energy: 0.8248067429091314
Energy: 0.706338719865183
Energy: 0.8389683906332561
Energy: 0.7455321761315914
Energy: 0.8389528097343333
Energy: 0.7455321747471949
Energy: 0.8388824621818849
Energy: 0.745532173493654
Energy: 0.7991202170139959
Energy: 0.7986955028271412
Energy: 0.7991202170139959
Energy: 0.7986955553922902
Energy: 0.7991202170139959
Energy: 0.7986956153029351
Energy: 0.7684604790423395
Energy: 0.8349476311050001
Energy: 0.7688507092310933
Energy: 0.835088455218668
Energy: 0.7689191928712951
Energy: 0.8349476311050001
Energy: 0.8294343975619074
Energy: 0.7394808467936815
Energy: 0.8294343975619074
Energy: 0.6981829299490431
Energy: 0.8294343975619074
Energy: 0.7478558034089572
Energy: 0.9294636226266498
Energy: 0.7523124281705335
Energy: 0.9294636359022602
Energy: 0.9686854313718308
Energy: 0.9294636502704593
Energy: 0.7524781278166438
Energy: 0.8389544089814379
Energy: 0.7840267822551655
Energy: 0.8389542272308411
Energy: 0.784937519122669
Energy: 0.8389540417832918
Energy: 0.7798178882199036
Energy: 0.6965489098048067
Energy: 0.7617960586933875
Energy: 0.6965489075151996
Energy: 0.7617960623194454
Energy: 0.6965489061575383
Energy: 0.7617960648333655
Energy: 0.9945780827495608
Energy: 0.8334343333550301
Energy: 0.9945780827491357
Energy: 0.8332852441369338
Energy: 0.9945780827491357
Energy: 0.8334194015696645
Energy: 0.8007335586781399
Energy: 0.7784148923666309
Energy: 0.8002214260220151
Energy: 0.779353833418012
Energy: 0.8007335586785649
Energy: 0.7779623595890595
Energy: 0.8205250143784694
Energy: 0.8143057732093318
Energy: 0.820525014364445
Energy: 0.8143057743193063
Energy: 0.8205250143470207
Energy: 0.8143057757381262
Energy: 0.9676185618345167
Energy: 0.7828911816890487
Energy: 0.9676185618345167
Energy: 0.7782560016237537
Energy: 0.9676185618345167
Energy: 0.7789638560544544
Energy: 0.7727771891694863
Energy: 0.744828055220793
Energy: 0.772758095590051
Energy: 0.744828055220793
Energy: 0.7728284213952307
Energy: 0.744828055220793
Energy: 0.8323913938659083
Energy: 0.7921644960987763
Energy: 0.8323913938659083
Energy: 0.7921644960970763
Energy: 0.8323913938659083
Energy: 0.7921644960987763

minimum gb energy = 0.6896086161674764 eV
minimum distance =  2.40986918756137 Angstroms
sigma value = 51


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

Energy: 0.95747472756463
Energy: 0.9411822932217063
Energy: 0.95747472756463
Energy: 0.9411822932217063
Energy: 0.95747472756463
Energy: 0.9411822932217063
Energy: 0.9948527267053174
Energy: 0.8597348519888105
Energy: 0.7474565595155147
Energy: 0.8597348519888105
Energy: 0.7470205323437573
Energy: 0.8597348519888105
Energy: 0.8442268802060836
Energy: 0.7192505026828445
Energy: 0.8442268802060836
Energy: 0.7198212583225768
Energy: 0.8442268802060836
Energy: 0.7206207094731751
Energy: 0.9127501215684939
Energy: 0.7807743428539597
Energy: 0.9127501215684939
Energy: 0.7807743428539597
Energy: 0.9127501215684939
Energy: 0.7807743428539597
Energy: 0.9362082104376421
Energy: 0.9086541362210302
Energy: 0.9362082104376421
Energy: 0.9086541362210302
Energy: 0.9362082104376421
Energy: 0.9086541362210302
Energy: 0.9339007622491003
Energy: 0.9088704952494868
Energy: 0.9339005660322459
Energy: 0.9088704952494868
Energy: 0.9338999413644772
Energy: 0.9088704952494868
Energy: 0.8642080339995686
Energy: 0.9095438130820178
Energy: 0.8642080340005531
Energy: 0.9095438130820178
Energy: 0.8642080339995686
Energy: 0.9095438130820178
Energy: 0.8453558442770406
Energy: 0.908744889089668
Energy: 0.8453558442770406
Energy: 0.908744889089668
Energy: 0.8453558442770406
Energy: 0.9087448890886832
Energy: 0.7545419224271114
Energy: 0.7770177803911197
Energy: 0.7546652264565338
Energy: 0.7770177803911197
Energy: 0.7546566492906123
Energy: 0.7770177803911197
Energy: 0.8102331420325802
Energy: 1.070569110861617
Energy: 0.8102331420325802
Energy: 1.0705688942936606
Energy: 0.8102331420325802
Energy: 1.0705683375305055
Energy: 1.0413154508787013
Energy: 0.7845529586085812
Energy: 0.7893057979296296
Energy: 0.7845529586085812
Energy: 0.789475310470234
Energy: 0.7845529586085812
Energy: 0.9484195128143472
Energy: 0.943364533226364
Energy: 0.9484195128143472
Energy: 0.943364533226364
Energy: 0.9484195128143472
Energy: 0.943364533226364
Energy: 1.08797948489623
Energy: 0.8598394339496414
Energy: 1.0879794563798824
Energy: 0.8598394339496414
Energy: 1.0879792726284205
Energy: 0.8598394339496414
Energy: 0.8863180688664957
Energy: 0.8826619816415704
Energy: 0.8863180688655109
Energy: 0.8826619815992518
Energy: 0.8863180688664957
Energy: 0.8826619815569331
Energy: 0.9300325436760174
Energy: 0.9367511318353363
Energy: 0.9300325436760174
Energy: 0.9367511318353363
Energy: 0.9300325436760174
Energy: 0.9367511318353363
Energy: 0.9341397755215021
Energy: 0.9087879872038025
Energy: 0.9341397755165787
Energy: 0.9087879872038025
Energy: 0.9341397752262112
Energy: 0.9087879872038025
Energy: 0.9353131476413672
Energy: 0.9966308756163815
Energy: 0.9353131476413672
Energy: 0.9966308756075419
Energy: 0.9353131476413672
Energy: 0.9966308755661856
Energy: 0.9018004848987582
Energy: 0.909688756172213
Energy: 0.9018004848987582
Energy: 0.909688756172213
Energy: 0.9018004848987582
Energy: 0.909688756172213

minimum gb energy = 0.7192505026828445 eV
minimum distance =  2.29453710639004 Angstroms
sigma value = 19


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

Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.8434446602124115
Energy: 0.9386475216940978
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.8038254173480849
Energy: 0.7015354581716656
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.701447431776318
Energy: 0.9371495101890455
Energy: 0.8989524023168518
Energy: 0.9386352641857902
Energy: 0.898952401704416
Energy: 0.9386352641857902
Energy: 0.898952400539121
Energy: 0.9386352641857902
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.8434446602124115
Energy: 0.9386475216940978
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.8434446602124115
Energy: 0.9386475216940978
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.8038254173480849
Energy: 0.7015354581716656
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.8989524023466399
Energy: 0.9386352641857902
Energy: 0.8989524017995948
Energy: 0.9386352641857902
Energy: 0.8989524007119293
Energy: 0.9386352641857902
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.8434446602124115
Energy: 0.9386475216940978
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.8037449234616411
Energy: 0.7014835023529994
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403174862258196
Energy: 0.7606743420181294
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.7403119824763303
Energy: 0.7606183621774515
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.8038254173486691
Energy: 0.7015354581716656
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.701447431776318
Energy: 0.9371495101896296
Energy: 0.701447431776318
Energy: 0.9371495101890455
Energy: 0.8989524023139313
Energy: 0.9386352641857902
Energy: 0.8989524017090886
Energy: 0.9386352641857902
Energy: 0.8989524006039274
Energy: 0.9386352641857902
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.7630076122009046
Energy: 0.7482518822253436
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.8434446602118274
Energy: 0.9386475216940978
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622
Energy: 0.7014394544009948
Energy: 0.9370620266791622

minimum gb energy = 0.7014394544009948 eV
minimum distance =  2.3266059668147 Angstroms
sigma value = 27


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

Energy: 0.757392177445969
Energy: 0.7243447287865684
Energy: 0.757392177445969
Energy: 0.7243447287865684
Energy: 0.757392177445969
Energy: 0.7243447287865684
Energy: 1.3508007774398876
Energy: 0.7667048311483169
Energy: 1.3508007774398876
Energy: 0.7667048311483169
Energy: 1.3508007774398876
Energy: 0.7667048311483169
Energy: 0.742493156897779
Energy: 0.8550890555652929
Energy: 0.7424931569964648
Energy: 0.8550890555652929
Energy: 0.7424931570150314
Energy: 0.8550890555652929
Energy: 1.0199593773132067
Energy: 0.7022127658580416
Energy: 1.0199593773132067
Energy: 0.7022127658580416
Energy: 1.0199593773132067
Energy: 0.7022127658580416
Energy: 1.0213572971323202
Energy: 0.7020410273793579
Energy: 1.0213572971323202
Energy: 0.7020410273793579
Energy: 1.0213572971308895
Energy: 0.7020410273793579
Energy: 0.8765351561255256
Energy: 0.9264871145348663
Energy: 0.8765351561255256
Energy: 0.9264871145134383
Energy: 0.8765351561255256
Energy: 0.9264871143804156
Energy: 0.8179869190679463
Energy: 0.7680387437085081
Energy: 0.8179869190679463
Energy: 0.7680387437085081
Energy: 0.8179869190679463
Energy: 0.7680387437085081
Energy: 0.7527592212793375
Energy: 0.726218930145869
Energy: 0.7527592212793375
Energy: 0.726218930145869
Energy: 0.7527592212793375
Energy: 0.726218930145869
Energy: 1.01092712204309
Energy: 0.742154750828948
Energy: 1.0109260443527273
Energy: 0.7421547507760445
Energy: 1.0109216322940773
Energy: 0.7421547508232251
Energy: 0.8240991183568411
Energy: 0.9079431277979365
Energy: 0.8240991183568411
Energy: 0.9079431277178499
Energy: 0.8240991183568411
Energy: 0.9079431275276315
Energy: 0.7246914412932582
Energy: 0.7027040620067777
Energy: 0.7246914412932582
Energy: 0.7027040620067777
Energy: 0.7246914412932582
Energy: 0.7027040620067777
Energy: 0.9161184269217498
Energy: 0.8456002154773522
Energy: 0.9161184269217498
Energy: 0.8456002154744908
Energy: 0.9161184269217498
Energy: 0.8456002154473075

minimum gb energy = 0.7020410273793579 eV
minimum distance =  2.2990289079985 Angstroms
sigma value = 9


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

Energy: 0.8156582893004855
Energy: 0.7311725103856344
Energy: 0.8156582893004855
Energy: 0.7311725103856344
Energy: 0.8156582893004855
Energy: 0.7311725103856344
Energy: 1.118765383964204
Energy: 0.6940960126196103
Energy: 1.118765383964204
Energy: 0.6940960126196103
Energy: 1.118765383964204
Energy: 0.6940960126196103
Energy: 0.6633879626537266
Energy: 1.0136082433192817
Energy: 0.6633879626537266
Energy: 1.0136079565604534
Energy: 0.6633879626537266
Energy: 1.0136066686846739
Energy: 0.7092331475802139
Energy: 0.6721301040963625
Energy: 0.7092331475802139
Energy: 0.6721301040963625
Energy: 0.7092331475802139
Energy: 0.6721301040963625
Energy: 0.7233180508431941
Energy: 0.6990022763481855
Energy: 0.7233180508431941
Energy: 0.6990022763485875
Energy: 0.7233180508431941
Energy: 0.6990022763481855
Energy: 0.7638008739330876
Energy: 0.7522196514476261
Energy: 0.7638008786399416
Energy: 0.7522196340547008
Energy: 0.7638008583889246
Energy: 0.7522196183184587
Energy: 0.7288850476538425
Energy: 0.7643817689814768
Energy: 0.7288850476369588
Energy: 0.7643817689810748
Energy: 0.7288850473231491
Energy: 0.7643817689810748
Energy: 0.652404646145289
Energy: 0.8133855932251746
Energy: 0.652404646145289
Energy: 0.8133855932251746
Energy: 0.652404646145289
Energy: 0.8133855932251746
Energy: 0.9896547461917226
Energy: 0.6986863888551911
Energy: 0.9896547461917226
Energy: 0.6986863888551911
Energy: 0.9896547461917226
Energy: 0.6986863888551911
Energy: 0.723289249611719
Energy: 1.0240196943096243
Energy: 0.723288817799362
Energy: 1.02401969424092
Energy: 0.7232879088005775
Energy: 1.0240196941372428
Energy: 0.7074105849691027
Energy: 0.6773535237353503
Energy: 0.7074105855018887
Energy: 0.6773535237353503
Energy: 0.7074105854858455
Energy: 0.6773535237353503
Energy: 0.6807771728933909
Energy: 0.8845035175580673
Energy: 0.6807771728933909
Energy: 0.8845035175580673
Energy: 0.6807771728933909
Energy: 0.8845035175580673
Energy: 0.6678834321529514
Energy: 0.7331442904357157
Energy: 0.6683612481618801
Energy: 0.7331442904345097
Energy: 0.6682981221756346
Energy: 0.7331442904324997
Energy: 0.8080952627580023
Energy: 1.0471239669135588
Energy: 0.8080952627122117
Energy: 1.0471239669131567
Energy: 0.8080952625619031
Energy: 1.0471239669135588
Energy: 0.6875352099767551
Energy: 0.742129891685848
Energy: 0.6875352099767551
Energy: 0.742129891685848
Energy: 0.6875352099767551
Energy: 0.742129891685848
Energy: 0.6722796142389318
Energy: 0.7300864725591842
Energy: 0.6722885275885709
Energy: 0.7300864698883478
Energy: 0.6718898953427738
Energy: 0.7300864662085473
Energy: 0.9112128119659938
Energy: 0.9631638922686013
Energy: 0.9112128119659938
Energy: 0.9631638916622873
Energy: 0.9112128119659938
Energy: 0.9631638891063476
Energy: 0.6966121811833357
Energy: 0.697842347674919
Energy: 0.6966121811913756
Energy: 0.697842347674919
Energy: 0.696612181216701
Energy: 0.697842347674919
Energy: 0.6493395591617163
Energy: 1.0537106667825467
Energy: 0.6493395591617163
Energy: 1.0537106667825467
Energy: 0.6493395591617163
Energy: 1.0537106667825467
Energy: 1.0223230746018626
Energy: 0.6549038643753383
Energy: 1.0223230746018626
Energy: 0.6549038643753383
Energy: 1.0223230746018626
Energy: 0.6549038643753383
Energy: 0.6495030295118109
Energy: 1.0540778873386514
Energy: 0.6495030295118109
Energy: 1.0540778873382495
Energy: 0.6495030295118109
Energy: 1.0540778873386514
Energy: 0.6966767105949616
Energy: 0.6980691570903178
Energy: 0.6966767105941942
Energy: 0.6980691570903178
Energy: 0.6966767105829385
Energy: 0.6980691570903178
Energy: 0.9112184749882355
Energy: 0.9625902890321044
Energy: 0.9112184749882355
Energy: 0.9625902916318613
Energy: 0.9112184749882355
Energy: 0.9625902853414501
Energy: 0.6724361672287793
Energy: 0.7897964374855052
Energy: 0.6724632022938477
Energy: 0.7897964374830934
Energy: 0.6724361764974414
Energy: 0.7897964374738473
Energy: 0.6872235506551344
Energy: 0.7429798121083682
Energy: 0.6872235506551344
Energy: 0.7429798121083682
Energy: 0.6872235506551344
Energy: 0.7429798121083682
Energy: 0.8082144251568428
Energy: 0.8456234036441496
Energy: 0.8082144251323577
Energy: 0.8456234036441496
Energy: 0.8082144250728628
Energy: 0.8456234036441496
Energy: 0.6675619435628661
Energy: 0.7329259584490923
Energy: 0.6680966541163913
Energy: 0.7329259584478862
Energy: 0.6680128603909223
Energy: 0.7329259584394445
Energy: 0.6808223938539236
Energy: 0.7471868489784492
Energy: 0.6808223938539236
Energy: 0.7471868489828712
Energy: 0.6808223938539236
Energy: 0.7471868489824692
Energy: 0.7076556588815822
Energy: 0.6770976647463294
Energy: 0.7076556588462436
Energy: 0.6770976647463294
Energy: 0.7076556586943634
Energy: 0.6770976647463294
Energy: 0.7233345288578014
Energy: 1.0249467375143364
Energy: 0.7233341423643689
Energy: 1.0249467370843872
Energy: 0.7233333390996675
Energy: 1.0249467364808873
Energy: 0.9894108667976597
Energy: 0.6987299060409982
Energy: 0.9894108667972578
Energy: 0.6987299060409982
Energy: 0.9894108667972578
Energy: 0.6987299060409982
Energy: 0.652457301973707
Energy: 0.8131466325921596
Energy: 0.652457301974109
Energy: 0.8131466325921596
Energy: 0.652457301974109
Energy: 0.8131466325921596
Energy: 0.729333010171868
Energy: 0.7642033807712197
Energy: 0.7293330101569945
Energy: 0.7642033807712197
Energy: 0.7293330099866228
Energy: 0.7642033807704159
Energy: 0.7635379600831403
Energy: 0.740620647117327
Energy: 0.7635379471202426
Energy: 0.7406206464201994
Energy: 0.7635379243165017
Energy: 0.7406206446253041
Energy: 0.7218892426451972
Energy: 0.6990177339916552
Energy: 0.7218892426451972
Energy: 0.6990177339916552
Energy: 0.7218892426451972
Energy: 0.6990177339916552
Energy: 0.709248486104794
Energy: 0.6718389445132573
Energy: 0.709248486104794
Energy: 0.6718389445132573
Energy: 0.709248486104794
Energy: 0.6718389445132573
Energy: 0.6632131750632901
Energy: 1.0136621797056855
Energy: 0.6632131750632901
Energy: 1.0136645212935103
Energy: 0.6632131750632901
Energy: 1.0136650428811143
Energy: 1.118641983397247
Energy: 0.6626687231612434
Energy: 1.118641983397247
Energy: 0.6626687231612434
Energy: 1.118641983397247
Energy: 0.6626687231612434
Energy: 0.8156582893004855
Energy: 0.7311725103856344
Energy: 0.8156582893004855
Energy: 0.7311725103856344
Energy: 0.8156582893004855
Energy: 0.7311725103856344
Energy: 1.118765383964204
Energy: 0.6940960126196103
Energy: 1.118765383964204
Energy: 0.6940960126196103
Energy: 1.118765383964204
Energy: 0.6940960126196103
Energy: 0.6633879626537266
Energy: 1.013608301544094
Energy: 0.6633879626537266
Energy: 1.0136078867240221
Energy: 0.6633879626537266
Energy: 1.0136063754570233
Energy: 0.7092331475806161
Energy: 0.6721301040963625
Energy: 0.7092331475802139
Energy: 0.6721301040963625
Energy: 0.7092331475802139
Energy: 0.6721301040963625
Energy: 0.7233180508431941
Energy: 0.6990022763477834
Energy: 0.7233180508431941
Energy: 0.6990022763481855
Energy: 0.7233180508431941
Energy: 0.6990022763477834

minimum gb energy = 0.6493395591617163 eV
minimum distance =  2.39234289302626 Angstroms
sigma value = 57


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

Energy: 0.36431332594274674
Energy: 0.37202609442284945
Energy: 0.36431332594274674
Energy: 0.37202609442284945
Energy: 0.36431332594274674
Energy: 0.37202609442284945
Energy: 0.45322146484544246
Energy: 0.3645219833064123
Energy: 0.45322146484544246
Energy: 0.3645219833064123
Energy: 0.45322146484544246
Energy: 0.3645219833064123
Energy: 0.40644217182825415
Energy: 0.44752029878273586
Energy: 0.40644217182825415
Energy: 0.44752029878273586
Energy: 0.40644217182825415
Energy: 0.44752029878273586
Energy: 0.37402010878229236
Energy: 0.3636997632690189
Energy: 0.37402010878320746
Energy: 0.3636997632690189
Energy: 0.37402010878320746
Energy: 0.3636997632690189
Energy: 0.4531446431341554
Energy: 0.45730622870203624
Energy: 0.4531446431341554
Energy: 0.4573062287011211
Energy: 0.4531446431341554
Energy: 0.4573062287011211
Energy: 0.36405127060459963
Energy: 0.4073438165563335
Energy: 0.36405127060459963
Energy: 0.4073438165563335
Energy: 0.36405127060459963
Energy: 0.4073438165563335
Energy: 0.3639999637091124
Energy: 0.4076664262354733
Energy: 0.3639999637091124
Energy: 0.4076664262354733
Energy: 0.3639999637091124
Energy: 0.4076664262354733
Energy: 0.4533340860572837
Energy: 0.4568588260157499
Energy: 0.4533340860581988
Energy: 0.4568588260157499
Energy: 0.4533340860581988
Energy: 0.4568588260157499
Energy: 0.3731685223368111
Energy: 0.36369346905777244
Energy: 0.3731685223368111
Energy: 0.36369346905777244
Energy: 0.373168522335896
Energy: 0.36369346905777244
Energy: 0.40646096648143926
Energy: 0.4477516495131168
Energy: 0.40646096648143926
Energy: 0.4477516495131168
Energy: 0.40646096648143926
Energy: 0.4477516495131168
Energy: 0.4532063280687134
Energy: 0.3644265367226653
Energy: 0.4532063280687134
Energy: 0.3644265367226653
Energy: 0.4532063280687134
Energy: 0.3644265367226653
Energy: 0.36431332594274674
Energy: 0.37202609442284945
Energy: 0.36431332594274674
Energy: 0.37202609442284945
Energy: 0.36431332594274674
Energy: 0.37202609442284945
Energy: 0.45322146484544246
Energy: 0.3645219833064123
Energy: 0.45322146484544246
Energy: 0.3645219833064123
Energy: 0.45322146484544246
Energy: 0.3645219833064123
Energy: 0.40644217182825415
Energy: 0.44752029878273586
Energy: 0.40644217182825415
Energy: 0.44752029878273586
Energy: 0.40644217182825415
Energy: 0.44752029878273586
Energy: 0.37402010878229236
Energy: 0.3636997632690189
Energy: 0.37402010878320746
Energy: 0.3636997632690189
Energy: 0.37402010878320746
Energy: 0.3636997632690189
Energy: 0.45314464313324027
Energy: 0.45730622870203624
Energy: 0.45314464313324027
Energy: 0.4573062287011211
Energy: 0.45314464313324027
Energy: 0.4573062287011211
Energy: 0.36405127060459963
Energy: 0.4073438165563335
Energy: 0.36405127060459963
Energy: 0.4073438165563335
Energy: 0.36405127060459963
Energy: 0.4073438165563335
Energy: 0.3639999637091124
Energy: 0.4076664262354733
Energy: 0.3639999637091124
Energy: 0.4076664262354733
Energy: 0.3639999637091124
Energy: 0.4076664262354733
Energy: 0.4533340860581988
Energy: 0.4568588260157499
Energy: 0.4533340860581988
Energy: 0.4568588260157499
Energy: 0.4533340860581988
Energy: 0.4568588260157499

minimum gb energy = 0.36369346905777244 eV
minimum distance =  2.4912666020071 Angstroms
sigma value = 11


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

Energy: 0.6206792844494808
Energy: 0.7900812119862439
Energy: 0.6206792844494808
Energy: 0.7900812119862439
Energy: 0.6206792844494808
Energy: 0.7900812119862439
Energy: 0.8360050134767681
Energy: 0.7280488213044236
Energy: 0.8360050134767681
Energy: 0.7280488213044236
Energy: 0.8360050134767681
Energy: 0.7280488213044236
Energy: 0.7580354161947375
Energy: 0.8885278850139847
Energy: 0.7580354161947375
Energy: 0.8885099212220262
Energy: 0.7580354161947375
Energy: 0.5516377715477331
Energy: 1.0118926441212983
Energy: 0.5842438294425238
Energy: 1.0118926441212983
Energy: 0.5842438294425238
Energy: 1.0118926441212983
Energy: 0.5842438294425238
Energy: 0.7696571971403393
Energy: 0.5638925427674557
Energy: 0.7696571971403393
Energy: 0.5638925427674557
Energy: 0.7696571971403393
Energy: 0.5638925427674557
Energy: 0.7080050858636561
Energy: 0.6387185012497993
Energy: 0.7080050858629858
Energy: 0.6387185012497993
Energy: 0.7080050858616452
Energy: 0.6387185012497993
Energy: 0.5552402685892251
Energy: 0.6326593024205355
Energy: 0.5552402685892251
Energy: 0.633138688833584
Energy: 0.5552402685892251
Energy: 0.6326556607973147
Energy: 0.7975088270860853
Energy: 0.5357684647104696
Energy: 0.7975088270860853
Energy: 0.5357684647104696
Energy: 0.7975088270860853
Energy: 0.5357684647104696
Energy: 0.7907656865831115
Energy: 0.5392202729874122
Energy: 0.7907656865831115
Energy: 0.5392202729874122
Energy: 0.7907656865831115
Energy: 0.5392202729874122
Energy: 0.5491228578209636
Energy: 0.9160222415034414
Energy: 0.5491228578209636
Energy: 0.9160222399657718
Energy: 0.5491228578209636
Energy: 0.9160222372006055
Energy: 0.7202845863785781
Energy: 0.7774403664574056
Energy: 0.7202845863785781
Energy: 0.7774403664574056
Energy: 0.7202845863792484
Energy: 0.7774403664567352
Energy: 0.7727180164234838
Energy: 0.5682748861705174
Energy: 0.7727180164241542
Energy: 0.5682748861705174
Energy: 0.7727180164234838
Energy: 0.5682748861705174
Energy: 0.7998469092936543
Energy: 0.5879320933369817
Energy: 0.7998469092936543
Energy: 0.5879320933369817
Energy: 0.7998469092936543
Energy: 0.5879320933363114
Energy: 0.8432175580207328
Energy: 0.8523581269324427
Energy: 0.8432175580214031
Energy: 0.852349143610325
Energy: 0.8432175580214031
Energy: 0.588600659454761
Energy: 0.9310591638627113
Energy: 0.7298355198233014
Energy: 0.9310591638627113
Energy: 0.7298355198233014
Energy: 0.9310591638620409
Energy: 0.7298355198233014
Energy: 0.6000971870691715
Energy: 0.7904513134430194
Energy: 0.6000971870698418
Energy: 0.7904513134430194
Energy: 0.6000971870691715
Energy: 0.7904513134430194
Energy: 0.6797459878994978
Energy: 0.7270060121919057
Energy: 0.6797459878994978
Energy: 0.7270060121919057
Energy: 0.679745987900168
Energy: 0.7270060121919057
Energy: 0.9784752672621423
Energy: 0.8401764255733125
Energy: 0.9784752672621423
Energy: 0.8401762749891722
Energy: 0.9784752672621423
Energy: 0.8401758900862959
Energy: 0.8560442542693452
Energy: 0.5809799170210029
Energy: 0.8560442542693452
Energy: 0.5809799170210029
Energy: 0.8560442542693452
Energy: 0.5809799170210029
Energy: 0.7726491681805341
Energy: 0.6840465288790376
Energy: 0.7726491681805341
Energy: 0.6840465288790376
Energy: 0.7726491681805341
Energy: 0.6840465288790376
Energy: 0.5498299892896383
Energy: 0.639623566459302
Energy: 0.5498299892896383
Energy: 0.639623566459302
Energy: 0.5498299892896383
Energy: 0.639623566459302
Energy: 0.5907819657721395
Energy: 0.6795771645141233
Energy: 0.5907819586585865
Energy: 0.6310799759029032
Energy: 0.5907818783946617
Energy: 0.6312015637297254
Energy: 0.6912047869181865
Energy: 0.6877345998233287
Energy: 0.6912047869181865
Energy: 0.6877345998233287
Energy: 0.6912047869181865
Energy: 0.687734599823999
Energy: 0.7907704863293579
Energy: 0.6664524357896752
Energy: 0.7907704863293579
Energy: 0.6664524357896752
Energy: 0.7907704863293579
Energy: 0.6664524357896752
Energy: 0.5501373750151094
Energy: 0.9404689281691931
Energy: 0.5501373750151094
Energy: 0.9404689281691931
Energy: 0.5501373750151094
Energy: 0.9404689281691931
Energy: 1.096451575467468
Energy: 0.7778089155770714
Energy: 1.096451575467468
Energy: 0.7778089137572914
Energy: 1.096451575467468
Energy: 0.7778089082779025

minimum gb energy = 0.5357684647104696 eV
minimum distance =  2.3828936492496 Angstroms
sigma value = 41


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

Energy: 0.7608243230470213
Energy: 0.6176252154646392
Energy: 0.7608243230470213
Energy: 0.6176252154646392
Energy: 0.7608243230470213
Energy: 0.6176252154646392
Energy: 0.8336177076027382
Energy: 0.8660124425960728
Energy: 0.8336177076027382
Energy: 0.8660124425960728
Energy: 0.833617707602234
Energy: 0.8660124425960728
Energy: 0.8658407512703034
Energy: 0.7273455464818351
Energy: 0.8658407512703034
Energy: 0.7273455464422112
Energy: 0.8658407512703034
Energy: 0.7273455463556144
Energy: 0.8066339116588077
Energy: 0.6118715006135375
Energy: 0.8066339116588077
Energy: 0.6118715006130092
Energy: 0.8066339116588077
Energy: 0.6118715006135375
Energy: 0.5846766728340427
Energy: 0.6521135872279141
Energy: 0.5846766728340427
Energy: 0.6521135872273858
Energy: 0.5846766728340427
Energy: 0.6521135872273858
Energy: 0.8143117002713482
Energy: 0.8040178789506154
Energy: 0.8143117002713482
Energy: 0.8040178789500869
Energy: 0.8143117002713482
Energy: 0.8040178789500869
Energy: 0.6058176348490436
Energy: 0.9013667925437675
Energy: 0.6058176348490436
Energy: 0.9013667925437675
Energy: 0.6058176348490436
Energy: 0.9013667925437675
Energy: 0.6001876125747971
Energy: 0.61172289626007
Energy: 0.6001876125747971
Energy: 0.61172289626007
Energy: 0.6001876125747971
Energy: 0.61172289626007
Energy: 0.6029995905022127
Energy: 0.6443656216226421
Energy: 0.6029995905022127
Energy: 0.6443656216226421
Energy: 0.6029995905022127
Energy: 0.6443656216226421
Energy: 0.6540898034503897
Energy: 0.9803775178998363
Energy: 0.6540898034503897
Energy: 0.9803775178998363
Energy: 0.6540898034503897
Energy: 0.9803775178998363
Energy: 0.6489968642448257
Energy: 0.7536363309468213
Energy: 0.6489968642448257
Energy: 0.7536361377953829
Energy: 0.6489968642448257
Energy: 0.7536355056855875
Energy: 0.594319442859438
Energy: 0.7700187600753247
Energy: 0.594319442859438
Energy: 0.7700187600747963
Energy: 0.5943194428589097
Energy: 0.7700187600747963
Energy: 0.6086794584100559
Energy: 0.6086915946878018
Energy: 0.6086794584100559
Energy: 0.6086915946878018
Energy: 0.6086794584100559
Energy: 0.6086915946883301
Energy: 0.5667341737841376
Energy: 0.8946595598488096
Energy: 0.5667341737841376
Energy: 0.894659559805511
Energy: 0.5667341737841376
Energy: 0.894659559769057
Energy: 0.8147932690971904
Energy: 0.804164694376416
Energy: 0.8147932690971904
Energy: 0.804164694376416
Energy: 0.8147932690971904
Energy: 0.804164694376416
Energy: 0.5770555679840906
Energy: 0.7877744929681186
Energy: 0.5770555679840906
Energy: 0.7877744929675904
Energy: 0.5770555679840906
Energy: 0.7877744929681186
Energy: 0.6111860242231645
Energy: 0.608610617580614
Energy: 0.6111860242231645
Energy: 0.608610617580614
Energy: 0.6111860242231645
Energy: 0.608610617580614
Energy: 0.7860573965387121
Energy: 0.9495946612659548
Energy: 0.7860573965387121
Energy: 0.9495941105834419
Energy: 0.7860573965387121
Energy: 0.9495928147514813
Energy: 0.8379823455341424
Energy: 0.8726643949332259
Energy: 0.8379823455341424
Energy: 0.8726643949332259
Energy: 0.8379823455346707
Energy: 0.8726643949332259
Energy: 0.6485483264278387
Energy: 0.76577881731217
Energy: 0.6485483264278387
Energy: 0.7657788173116418
Energy: 0.6485483264278387
Energy: 0.7657788173116418
Energy: 0.6133108751667523
Energy: 0.8667330328283059
Energy: 0.6133108751672807
Energy: 0.8667330328283059
Energy: 0.6133108751667523
Energy: 0.8667330328283059
Energy: 0.8591046387629572
Energy: 1.097649887233754
Energy: 0.8591046387629572
Energy: 1.0976498870394038
Energy: 0.8591046387629572
Energy: 1.0976498871576996
Energy: 0.7342768235485844
Energy: 0.6074309695326571
Energy: 0.7342768235491127
Energy: 0.6074309695326571
Energy: 0.7342768235491127
Energy: 0.6074309695326571
Energy: 0.5777899231138246
Energy: 0.7964152967521176
Energy: 0.5777899231138246
Energy: 0.7964152967521176
Energy: 0.5777899231138246
Energy: 0.7964152967521176
Energy: 0.5705065820055458
Energy: 0.9656247614284393
Energy: 0.5705065820055458
Energy: 0.9656247614284393
Energy: 0.5705065820055458
Energy: 0.9656247614289678
Energy: 0.6069015602399166
Energy: 0.6497125995848921
Energy: 0.6069015602393883
Energy: 0.6497125995848921
Energy: 0.6069015602399166
Energy: 0.6497125995848921
Energy: 0.5948714241408308
Energy: 0.6073193696194223
Energy: 0.5948714241408308
Energy: 0.6073193696194223
Energy: 0.5948714241408308
Energy: 0.6073193696194223
Energy: 0.603676987531984
Energy: 0.7899056784326712
Energy: 0.603676987531984
Energy: 0.7899056784326712
Energy: 0.603676987531984
Energy: 0.7899056784326712
Energy: 0.6485459223371953
Energy: 0.8717435730673462
Energy: 0.6485459223371953
Energy: 0.8717435730673462
Energy: 0.6485459223371953
Energy: 0.8717435730673462
Energy: 0.9388891435628509
Energy: 0.6060393289205778
Energy: 0.9388891435623226
Energy: 0.6060393289205778
Energy: 0.9388891435628509
Energy: 0.6060393289205778
Energy: 0.5880432596630718
Energy: 0.770845222300349
Energy: 0.5880432596630718
Energy: 0.770845222300349
Energy: 0.5880432596630718
Energy: 0.770845222300349
Energy: 0.6101555041003078
Energy: 0.6275471180467636
Energy: 0.6101555041003078
Energy: 0.6275471180467636
Energy: 0.6101555041003078
Energy: 0.6275471180467636
Energy: 0.5701642798836974
Energy: 0.7633674712089518
Energy: 0.5701642798836974
Energy: 0.7633674712089518
Energy: 0.5701642798836974
Energy: 0.7633674712089518

minimum gb energy = 0.5667341737841376 eV
minimum distance =  2.41710699603231 Angstroms
sigma value = 33


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

Energy: 0.6939478974285783
Energy: 0.6235217633279301
Energy: 0.6939478974285783
Energy: 0.6235217633279301
Energy: 0.6939478974285783
Energy: 0.6235217633279301
Energy: 0.9502053776792533
Energy: 0.5919612258358025
Energy: 0.9502053776792533
Energy: 0.5919612258358025
Energy: 0.9502053776792533
Energy: 0.5919612258358025
Energy: 0.8995400849183961
Energy: 0.7261586340928351
Energy: 0.8995400849183961
Energy: 0.7261586340928351
Energy: 0.8995400849183961
Energy: 0.7261586340928351
Energy: 0.6403924982222069
Energy: 0.6123756708033528
Energy: 0.6403924982222069
Energy: 0.6123756708033528
Energy: 0.6403924982233193
Energy: 0.6123756708033528
Energy: 0.6305930332725507
Energy: 1.1374545595535326
Energy: 0.6305930332725507
Energy: 1.1374545595535326
Energy: 0.6305930332725507
Energy: 1.1374545595535326
Energy: 0.9132581811283065
Energy: 0.6381171787126219
Energy: 0.9132581811283065
Energy: 0.6381171787126219
Energy: 0.9132581811283065
Energy: 0.6381171787126219
Energy: 0.6260814386636502
Energy: 0.6925715545326555
Energy: 0.6260814386636502
Energy: 0.6925715545322848
Energy: 0.6260814386636502
Energy: 0.6925715545322848
Energy: 0.672152285462267
Energy: 0.6681873394068814
Energy: 0.672152285462267
Energy: 0.6681873394068814
Energy: 0.672152285462267
Energy: 0.6681873394072522
Energy: 1.1375836342994172
Energy: 0.6563909557293715
Energy: 1.1375836342994172
Energy: 0.6563909557293715
Energy: 1.1375836342994172
Energy: 0.6563909557293715
Energy: 0.958026938866797
Energy: 0.6200696577721041
Energy: 0.958026938866797
Energy: 0.6200696577721041
Energy: 0.958026938866797
Energy: 0.6200696577721041
Energy: 0.6639328689179166
Energy: 0.662977519964108
Energy: 0.6639328689179166
Energy: 0.662977519964108
Energy: 0.6639328689179166
Energy: 0.662977519964108
Energy: 1.1447449680765311
Energy: 0.6126114351346743
Energy: 1.1447449680765311
Energy: 0.6126114351346743
Energy: 1.1447449680765311
Energy: 0.6126114351346743
Energy: 0.6554276150847282
Energy: 1.137055935342986
Energy: 0.6554276150847282
Energy: 1.137055935342986
Energy: 0.6554276150847282
Energy: 1.137055935342986
Energy: 0.6813831743950884
Energy: 0.6689192802198288
Energy: 0.6813831743950884
Energy: 0.6689192802198288
Energy: 0.6813831743950884
Energy: 0.6689192802198288
Energy: 0.6721609525089699
Energy: 0.6252264396007444
Energy: 0.6721609525089699
Energy: 0.6252264396007444
Energy: 0.6721609525089699
Energy: 0.6252264396007444
Energy: 0.6421380193006296
Energy: 0.9150374543125661
Energy: 0.6421380193006296
Energy: 0.9150374543129369
Energy: 0.6421380193002587
Energy: 0.9150374543129369
Energy: 1.1395823111181602
Energy: 0.6225451806952707
Energy: 1.1395823111181602
Energy: 0.6225451806952707
Energy: 1.1395823111181602
Energy: 0.6225451806952707
Energy: 0.6091185241470681
Energy: 0.6412160299537971
Energy: 0.6091185241466972
Energy: 0.6412160299534263
Energy: 0.6091185241470681
Energy: 0.6412160299537971
Energy: 0.9583080157274221
Energy: 0.8999013022574053
Energy: 0.9583080157274221
Energy: 0.8999013022574053
Energy: 0.9583080157274221
Energy: 0.8999013022574053
Energy: 1.1335325163943168
Energy: 0.6644317581649769
Energy: 1.133532516393946
Energy: 0.6644317581653476
Energy: 1.133532516393946
Energy: 0.6644317581653476
Energy: 0.6239948808356901
Energy: 0.6677760814124092
Energy: 0.6239948808356901
Energy: 0.6677760814124092
Energy: 0.6239948808356901
Energy: 0.6677760814124092
Energy: 0.5890674981433089
Energy: 0.9481913367086833
Energy: 0.5890674981433089
Energy: 0.9481913367086833
Energy: 0.5890674981433089
Energy: 0.9481913367086833
Energy: 0.6725047207117861
Energy: 0.8704420974306913
Energy: 0.6725047207117861
Energy: 0.8704420974306913
Energy: 0.6725047207117861
Energy: 0.8704420974306913
Energy: 0.6159443522217856
Energy: 0.9100001262334736
Energy: 0.6159443522217856
Energy: 0.9100001262334736
Energy: 0.6159443522217856
Energy: 0.9100001262334736
Energy: 1.1347717502189751
Energy: 0.6220295404992772
Energy: 1.1347717502189751
Energy: 0.6220295404992772
Energy: 1.1347717502189751
Energy: 0.6220295404992772
Energy: 0.6355349100453299
Energy: 0.6761266359284575
Energy: 0.6355349100453299
Energy: 0.6761266359284575
Energy: 0.6355349100453299
Energy: 0.6761266359284575
Energy: 0.9472692816689284
Energy: 0.6284121700139317
Energy: 0.9472692816689284
Energy: 0.6284121700139317
Energy: 0.9472692816689284
Energy: 0.6284121700139317
Energy: 0.6817242723592529
Energy: 0.6163769635201782
Energy: 0.6817242723592529
Energy: 0.6163769635201782
Energy: 0.6817242723588822
Energy: 0.6163769635201782
Energy: 0.6683117170846549
Energy: 1.137009497512407
Energy: 0.6683117170846549
Energy: 1.137009497512407
Energy: 0.6683117170846549
Energy: 1.137009497512407
Energy: 0.617223726766304
Energy: 0.9575446239664293
Energy: 0.617223726766304
Energy: 0.9575446239664293
Energy: 0.617223726766304
Energy: 0.9575446239664293
Energy: 0.640301499972698
Energy: 0.6069709123596849
Energy: 0.640301499973069
Energy: 0.6069709123596849
Energy: 0.640301499973069
Energy: 0.6069709123596849
Energy: 0.6162006399460405
Energy: 1.1418935397672743
Energy: 0.6162006399460405
Energy: 1.1418935397672743
Energy: 0.6162006399460405
Energy: 1.1418935397672743
Energy: 1.1368617463549562
Energy: 0.6480603293756313
Energy: 1.1368617463549562
Energy: 0.648060329376002
Energy: 1.1368617463549562
Energy: 0.648060329376002
Energy: 0.6653654511640404
Energy: 0.6761419902107966
Energy: 0.665365451164411
Energy: 0.6761419902107966
Energy: 0.6653654511640404
Energy: 0.6761419902107966
Energy: 0.6651526592366587
Energy: 0.6762122733010907
Energy: 0.665152659236288
Energy: 0.6762122733010907
Energy: 0.6651526592366587
Energy: 0.6762122733010907
Energy: 1.13659885329453
Energy: 0.6481456388582292
Energy: 1.13659885329453
Energy: 0.6481456388582292
Energy: 1.13659885329453
Energy: 0.6481456388582292
Energy: 0.6159079556006469
Energy: 1.1418844150637244
Energy: 0.6159079556006469
Energy: 1.1418844150637244
Energy: 0.6159079556006469
Energy: 1.1418844150637244
Energy: 0.640173884250479
Energy: 0.6068834868902894
Energy: 0.640173884250479
Energy: 0.6068834868902894
Energy: 0.640173884250479
Energy: 0.6068834868902894
Energy: 0.6174324780393777
Energy: 0.9570861060841435
Energy: 0.6174324780393777
Energy: 0.9570861060837726
Energy: 0.6174324780393777
Energy: 0.9570861060837726
Energy: 0.668133675205663
Energy: 1.1371676453932074
Energy: 0.668133675205663
Energy: 1.1371676453932074
Energy: 0.668133675205663
Energy: 1.1371676453932074
Energy: 0.6678741579701207
Energy: 0.6163911799647925
Energy: 0.6678741579701207
Energy: 0.6163911799647925
Energy: 0.6678741579701207
Energy: 0.6163911799647925
Energy: 0.9468784045597272
Energy: 0.6283443602192618
Energy: 0.9468784045597272
Energy: 0.6283443602192618
Energy: 0.9468784045600979
Energy: 0.6283443602192618
Energy: 0.6356026162026108
Energy: 0.6768163457675349
Energy: 0.6356026162022401
Energy: 0.6768163457675349
Energy: 0.6356026162022401
Energy: 0.6768163457675349
Energy: 1.135050381787394
Energy: 0.6220483122193072
Energy: 1.135050381787394
Energy: 0.6220483122193072
Energy: 1.135050381787394
Energy: 0.6220483122193072
Energy: 0.6159831817639819
Energy: 0.9101083167711879
Energy: 0.6159831817639819
Energy: 0.9101083167711879
Energy: 0.6159831817639819
Energy: 0.9101083167711879
Energy: 0.6723786281306716
Energy: 0.8697327523375509
Energy: 0.6723786281306716
Energy: 0.8697327523375509
Energy: 0.6723786281306716
Energy: 0.8697327523375509
Energy: 0.589099380427725
Energy: 0.9479687099348881
Energy: 0.589099380427725
Energy: 0.9479687099348881
Energy: 0.589099380427725
Energy: 0.9479687099348881

minimum gb energy = 0.5890674981433089 eV
minimum distance =  2.41443070825736 Angstroms
sigma value = 67


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

Energy: 0.7110595782166073
Energy: 0.6286969637075419
Energy: 0.7110595782166073
Energy: 0.6286969637075419
Energy: 0.7110595782166073
Energy: 0.6286969637075419
Energy: 0.687779784010454
Energy: 0.6025948603756955
Energy: 0.687779784010454
Energy: 0.6025948603756955
Energy: 0.687779784010454
Energy: 0.6025948603756955
Energy: 0.8849306797450084
Energy: 0.7827070512730738
Energy: 0.6727582544607154
Energy: 0.7827070512730738
Energy: 0.6727582544547737
Energy: 0.7827070512730738
Energy: 0.6878188382593065
Energy: 0.6025570939328918
Energy: 0.6878188382593065
Energy: 0.6025570939328918
Energy: 0.6878188382593065
Energy: 0.6025570939328918
Energy: 0.7110595782166073
Energy: 0.6286969637075419
Energy: 0.7110595782166073
Energy: 0.6286969637075419
Energy: 0.7110595782166073
Energy: 0.6286969637075419
Energy: 0.687779784010454
Energy: 0.6025948603756955
Energy: 0.687779784010454
Energy: 0.6025948603756955
Energy: 0.687779784010454
Energy: 0.6025948603756955
Energy: 0.5940216768763152
Energy: 0.7827070512730738
Energy: 0.5940216796977966
Energy: 0.7827070512733275
Energy: 0.8849306813874744
Energy: 0.7827070512733275

minimum gb energy = 0.5940216768763152 eV
minimum distance =  2.42477766455823 Angstroms
sigma value = 3


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

Energy: 0.824650766106608
Energy: 0.7557979935522589
Energy: 0.824650766106608
Energy: 0.7557979935522589
Energy: 0.8246507661099803
Energy: 0.7557979935522589
Energy: 0.7428253304982454
Energy: 0.6781704346784443
Energy: 0.7428253304982454
Energy: 0.6781704346784443
Energy: 0.7428253304982454
Energy: 0.6781704346784443
Energy: 0.8594033357041245
Energy: 0.8483286155740704
Energy: 0.8594033357041245
Energy: 0.8483286155740704
Energy: 0.8594033357041245
Energy: 0.8483286155740704
Energy: 0.9129797929950985
Energy: 0.7504988437471537
Energy: 0.9129797929950985
Energy: 0.7504988437471537
Energy: 0.9129797929950985
Energy: 0.7448657946407453
Energy: 0.7541630268069492
Energy: 0.6777681706150438
Energy: 0.7541630268069492
Energy: 0.6810729749383598
Energy: 0.7541630268069492
Energy: 0.6808798720067157
Energy: 0.743395734987605
Energy: 0.7252900524650138
Energy: 0.743395734987605
Energy: 0.7252900524650138
Energy: 0.743395734987605
Energy: 0.7252900524650138
Energy: 0.9081208368666723
Energy: 0.8487443909927015
Energy: 0.9081208368666723
Energy: 0.8487443909927015
Energy: 0.9081208368666723
Energy: 0.8487443909927015
Energy: 0.8318936972828237
Energy: 0.7900674188953193
Energy: 0.8318936972828237
Energy: 0.7900674188953193
Energy: 0.8318936972828237
Energy: 0.7900674188953193
Energy: 0.7398989790897292
Energy: 0.677817822365951
Energy: 0.7398989790897292
Energy: 0.6784198764028533
Energy: 0.7398989790897292
Energy: 0.6743959850209672
Energy: 0.6993702264518193
Energy: 0.7253360706448797
Energy: 0.700082557096241
Energy: 0.7253360706448797
Energy: 0.7013995703247055
Energy: 0.7253360706448797
Energy: 0.7390843990473617
Energy: 0.8347891553700522
Energy: 0.7390843990473617
Energy: 0.8347891553734244
Energy: 0.7390843990473617
Energy: 0.8347891553734244
Energy: 0.6999738155710465
Energy: 0.813922754385425
Energy: 0.6999738155710465
Energy: 0.8043265542577742
Energy: 0.6999738155710465
Energy: 0.8043265542577742
Energy: 0.7793413628932808
Energy: 0.6758301126970232
Energy: 0.7793413628932808
Energy: 0.6758081344438199
Energy: 0.7793413628932808
Energy: 0.6755999647958988
Energy: 0.7677095929040373
Energy: 0.8393863045431663
Energy: 0.7677095929040373
Energy: 0.8393863045431663
Energy: 0.7677095929040373
Energy: 0.8393863045431663
Energy: 0.8191756487877692
Energy: 0.763326641880601
Energy: 0.8191756487877692
Energy: 0.763326641880601
Energy: 0.8191756487877692
Energy: 0.763326641880601
Energy: 0.7556786469635052
Energy: 0.7411145313032879
Energy: 0.7556786469635052
Energy: 0.7411145313032879
Energy: 0.7556786469668775
Energy: 0.7411145313032879
Energy: 0.7974965907572489
Energy: 0.6793769382257957
Energy: 0.7974965855630275
Energy: 0.6793769382257957
Energy: 0.7974965713487993
Energy: 0.6793769382257957
Energy: 0.7525031695912981
Energy: 0.9850615285692353
Energy: 0.7525031695912981
Energy: 0.9850615285692353
Energy: 0.7525031695912981
Energy: 0.9850615285692353
Energy: 0.8189494574311905
Energy: 0.8160366724210065
Energy: 0.8189494574311905
Energy: 0.8160366724210065
Energy: 0.8189494574311905
Energy: 0.8160366724210065
Energy: 0.699839857527362
Energy: 0.7455280811609348
Energy: 0.699839857527362
Energy: 0.7455280811609348
Energy: 0.699839857527362
Energy: 0.7455280811609348
Energy: 0.7266781549310984
Energy: 0.7268978461768814
Energy: 0.7267708569900078
Energy: 0.7268978461768814
Energy: 0.7267259940188545
Energy: 0.7268978461768814
Energy: 0.7105554121971748
Energy: 0.7919759714738964
Energy: 0.7105554121971748
Energy: 0.7919759714941295
Energy: 0.7105554121971748
Energy: 0.791975971467152
Energy: 0.8733939041412626
Energy: 0.7329723863839872
Energy: 0.8733939041412626
Energy: 0.7329723863839872
Energy: 0.8733939041412626
Energy: 0.7329723863839872
Energy: 0.7194541207339873
Energy: 0.7372146940046981
Energy: 0.7194541207339873
Energy: 0.7372146940046981
Energy: 0.7194541207339873
Energy: 0.7372146940046981
Energy: 0.8019286384676727
Energy: 0.7267187519501712
Energy: 0.8019286384676727
Energy: 0.7267187519501712
Energy: 0.8019286384676727
Energy: 0.7267187519501712
Energy: 0.716060689702055
Energy: 0.7427331518792161
Energy: 0.716060689702055
Energy: 0.7427331518792161
Energy: 0.716060689702055
Energy: 0.7427331518792161
Energy: 0.7478713541022972
Energy: 0.7668490686265449
Energy: 0.7478713541022972
Energy: 0.7668490687178701
Energy: 0.7478713541022972
Energy: 0.7668490686804694
Energy: 0.7611392127914046
Energy: 0.6831559442371701
Energy: 0.7611392127914046
Energy: 0.6831559442371701
Energy: 0.7611392127914046
Energy: 0.6831559442371701
Energy: 0.701953260349041
Energy: 0.6794358324181775
Energy: 0.7019224463053747
Energy: 0.6794358324181775
Energy: 0.6953144357500279
Energy: 0.6794358324181775
Energy: 0.7554209393998406
Energy: 0.7403892119161937
Energy: 0.7554209393998406
Energy: 0.7403892119161937
Energy: 0.7554209393998406
Energy: 0.7403892119161937
Energy: 0.7861919381036455
Energy: 0.7364516648921183
Energy: 0.7861919381036455
Energy: 0.7364516648921183
Energy: 0.7861919381036455
Energy: 0.7364516648921183
Energy: 0.776844599499136
Energy: 0.6790132344085061
Energy: 0.776844599499136
Energy: 0.6790132344085061
Energy: 0.776844599499136
Energy: 0.6790132344085061
Energy: 0.7668231445672727
Energy: 0.7221905718471046
Energy: 0.7668231445672727
Energy: 0.7205605412214862
Energy: 0.7668231445672727
Energy: 0.7204534530001774
Energy: 0.8658586405553923
Energy: 0.8225381020112736
Energy: 0.8658586405553923
Energy: 0.8225381020112736
Energy: 0.8658586405553923
Energy: 0.8225381020112736
Energy: 0.7211478766036687
Energy: 0.7402005970879929
Energy: 0.7211478766036687
Energy: 0.7402005970879929
Energy: 0.721147876607041
Energy: 0.7402005970879929
Energy: 0.7747619909632528
Energy: 0.7257901623251093
Energy: 0.7747619909531362
Energy: 0.7257901623251093
Energy: 0.7747619908991812
Energy: 0.7257901623251093
Energy: 0.7250451129212734
Energy: 0.8292582519893922
Energy: 0.7250451129212734
Energy: 0.8292582518545657
Energy: 0.7250451129212734
Energy: 0.8292582515646797
Energy: 0.8808745911217789
Energy: 0.7355852852168309
Energy: 0.8808745911217789
Energy: 0.7355852852168309
Energy: 0.8808745911217789
Energy: 0.7355852852168309
Energy: 0.6775988991035172
Energy: 0.7914205574771129
Energy: 0.6775988991035172
Energy: 0.7914205574771129
Energy: 0.6775988991035172
Energy: 0.7914205574771129
Energy: 0.6950790411936172
Energy: 0.7258620386800316
Energy: 0.6794004293254118
Energy: 0.7258620386800316
Energy: 0.7109576106533392
Energy: 0.7258620386800316
Energy: 0.6999789369779471
Energy: 0.6791854542669222
Energy: 0.6999789369779471
Energy: 0.6800368995857247
Energy: 0.6999789369779471
Energy: 0.6803977356610417
Energy: 0.9332617492279778
Energy: 0.6938845610761516
Energy: 0.9332617492279778
Energy: 0.6938845610761516
Energy: 0.9332617492279778
Energy: 0.6938845610761516
Energy: 0.7240009157573343
Energy: 0.8395370676659857
Energy: 0.7240009157573343
Energy: 0.8395370676659857
Energy: 0.7240009157573343
Energy: 0.8395370676659857
Energy: 0.7449749110537625
Energy: 0.6789001476911948
Energy: 0.7444589359862283
Energy: 0.6789001476911948
Energy: 0.7448874631903659
Energy: 0.6789001476911948
Energy: 0.7559450212434436
Energy: 0.7673258730466771
Energy: 0.7559450212434436
Energy: 0.7673258730466771
Energy: 0.7559450212434436
Energy: 0.7673258730466771
Energy: 0.7920026677293082
Energy: 0.6891729821814738
Energy: 0.7920026677293082
Energy: 0.6891729821814738
Energy: 0.7920026677293082
Energy: 0.6891729821814738
Energy: 0.7699130523809278
Energy: 0.8390545209177338
Energy: 0.7699130523809278
Energy: 0.8390545209177338
Energy: 0.7699130523809278
Energy: 0.8390545209177338
Energy: 0.7783076656618308
Energy: 0.6774007575208283
Energy: 0.7783076656281396
Energy: 0.677799182279291
Energy: 0.7783076654090391
Energy: 0.6777235802152914
Energy: 0.6999619420375279
Energy: 0.6761192963564423
Energy: 0.6999619420375279
Energy: 0.6758146174404536
Energy: 0.6999619420375279
Energy: 0.6735000871875444
Energy: 0.7410655010577866
Energy: 0.742776031373743
Energy: 0.7410655010577866
Energy: 0.742776031373743
Energy: 0.7410655010577866
Energy: 0.742776031373743
Energy: 0.7656164934906508
Energy: 0.7253554468142679
Energy: 0.7656164934906508
Energy: 0.7253554468142679
Energy: 0.7656164934906508
Energy: 0.7253554468142679

minimum gb energy = 0.6735000871875444 eV
minimum distance =  2.39252044783942 Angstroms
sigma value = 81


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

Energy: 0.8018240127937168
Energy: 0.7569931155467344
Energy: 0.7479765033977129
Energy: 0.7569931155462717
Energy: 0.8018240127937168
Energy: 0.7569931155462717
Energy: 0.8206574816325429
Energy: 0.7878318998815688
Energy: 0.8206574816325429
Energy: 0.7878318998815688
Energy: 0.8206574816325429
Energy: 0.7878318998820316
Energy: 0.9275590976416644
Energy: 0.8038624362553991
Energy: 0.9272340926627819
Energy: 0.8038624362553991
Energy: 0.9275590976416644
Energy: 0.8038624362553991
Energy: 0.739939514682929
Energy: 0.8232809967482471
Energy: 0.739939514682929
Energy: 0.8232787339652573
Energy: 0.739939514682929
Energy: 0.8232756034956307
Energy: 0.8070619585319858
Energy: 0.7591304234620607
Energy: 0.8070619585319858
Energy: 0.7591304234620607
Energy: 0.8070619585319858
Energy: 0.7591304234620607
Energy: 0.7028960016273906
Energy: 0.6620401557085058
Energy: 0.7028960016273906
Energy: 0.6620401557085058
Energy: 0.7028960016278535
Energy: 0.6620401557085058
Energy: 0.6466062782589463
Energy: 0.6620736801919264
Energy: 0.6466062782589463
Energy: 0.6620736801919264
Energy: 0.6466062782589463
Energy: 0.6620736801919264
Energy: 0.8011988967851664
Energy: 0.821316579975505
Energy: 0.8011988225275454
Energy: 0.821316579975505
Energy: 0.8011988967851664
Energy: 0.821316579975505
Energy: 0.6975622670588734
Energy: 0.6617959377057404
Energy: 0.6756859733406938
Energy: 0.664545094966005
Energy: 0.675298312979865
Energy: 0.6532989063784147
Energy: 0.7909636175687652
Energy: 1.1606741009746604
Energy: 0.7909636174938288
Energy: 1.1606741009746604
Energy: 0.7909636172972107
Energy: 1.1606741009746604
Energy: 0.8286925968001647
Energy: 0.7000814223036986
Energy: 0.8286925968001647
Energy: 0.7000814223036986
Energy: 0.8286925968001647
Energy: 0.7000814223036986
Energy: 0.6621882584600977
Energy: 0.7007144263590867
Energy: 0.6621882584605604
Energy: 0.7007144263586238
Energy: 0.6621882584600977
Energy: 0.7007144263586238
Energy: 0.8067774819024761
Energy: 0.80946759751009
Energy: 0.8067774819020134
Energy: 0.80946759751009
Energy: 0.8067774819020134
Energy: 0.80946759751009
Energy: 0.7957277443133621
Energy: 0.8235682276218356
Energy: 0.7957277441500464
Energy: 0.8235682276218356
Energy: 0.7957277405628665
Energy: 0.8235682276218356
Energy: 0.8017302753028998
Energy: 0.6981221443304838
Energy: 0.8017302753028998
Energy: 0.6981221443304838
Energy: 0.8017302753028998
Energy: 0.6981221443304838
Energy: 0.8013313115545536
Energy: 0.7541648490504562
Energy: 0.8013313115550165
Energy: 0.7541648490504562
Energy: 0.8013313115545536
Energy: 0.7541648490504562
Energy: 0.7609533069069015
Energy: 0.662360738154707
Energy: 0.7609533069069015
Energy: 0.662360738154707
Energy: 0.7609533069069015
Energy: 0.662360738154707
Energy: 0.674210613660255
Energy: 0.792928316314786
Energy: 0.6743146868419186
Energy: 0.792928316314786
Energy: 0.674210613660255
Energy: 0.792928316314786
Energy: 0.8067333227669482
Energy: 0.7172649275038775
Energy: 0.8067333227669482
Energy: 0.7172649275071175
Energy: 0.8067333227669482
Energy: 0.7172649275020263
Energy: 0.6966270460095012
Energy: 0.914321710721697
Energy: 0.7132337625720129
Energy: 0.914318978257546
Energy: 0.7137096411413113
Energy: 0.6372459216715134
Energy: 0.7569300407597883
Energy: 0.8208075836760095
Energy: 0.7569300407597883
Energy: 0.8208075836764721
Energy: 0.7569300407597883
Energy: 0.8208075836760095
Energy: 0.7171508216457303
Energy: 0.7027670679943536
Energy: 0.6620278352758556
Energy: 0.7027670679943536
Energy: 0.7171508216457303
Energy: 0.7027670679943536
Energy: 0.7173528011323344
Energy: 0.6460207665030931
Energy: 0.6618822103579359
Energy: 0.646020766503556
Energy: 0.7173528011323344
Energy: 0.6460207665030931
Energy: 0.8089648453084768
Energy: 0.8003615157564428
Energy: 0.8089648453084768
Energy: 0.8003615157569056
Energy: 0.8089648453084768
Energy: 0.8003615157564428
Energy: 0.7967222045872541
Energy: 0.7022964702524929
Energy: 0.7967221875534308
Energy: 0.6970607829268216
Energy: 0.7967220712720005
Energy: 0.6961787281531352
Energy: 0.805746539277785
Energy: 1.0438028681814173
Energy: 0.8057465392773221
Energy: 1.0438028681814173
Energy: 0.805746539277785
Energy: 1.0438028681814173
Energy: 0.6744712464411436
Energy: 0.7394094753673756
Energy: 0.6744712464411436
Energy: 0.7394094753673756
Energy: 0.6744712464411436
Energy: 0.7394094753673756
Energy: 0.7577996624920921
Energy: 0.6624825447927806
Energy: 0.7577996624925549
Energy: 0.6624825447927806
Energy: 0.7577996624925549
Energy: 0.6624825447927806
Energy: 0.8015107882336004
Energy: 0.8040574818778934
Energy: 0.8013538942627996
Energy: 0.8040574818778934
Energy: 0.8015107882336004
Energy: 0.8040574818778934
Energy: 0.8013693898652594
Energy: 0.7039747106119867
Energy: 0.8013693898652594
Energy: 0.7039747106119867
Energy: 0.8013693898652594
Energy: 0.7039747106119867
Energy: 0.8233186662446452
Energy: 0.7997600181960208
Energy: 0.8233186078097073
Energy: 0.7997600181960208
Energy: 0.8233183859501114
Energy: 0.7997600181960208
Energy: 0.7566335204160901
Energy: 0.8066300643467773
Energy: 0.7566335204160901
Energy: 0.8066300643467773
Energy: 0.7566335204160901
Energy: 0.8066300643467773
Energy: 0.662248433119728
Energy: 0.7035221191277576
Energy: 0.662248433119728
Energy: 0.7035221191277576
Energy: 0.662248433119728
Energy: 0.7035221191277576
Energy: 0.8060111524760981
Energy: 0.6452438588974225
Energy: 0.8060111524760981
Energy: 0.6452438588974225
Energy: 0.8060111524760981
Energy: 0.6452438588974225
Energy: 0.8121781758806536
Energy: 1.2165195601752636
Energy: 0.8122266594750119
Energy: 1.2165195601752636
Energy: 0.8121781755716309
Energy: 1.2165195601748007
Energy: 0.6685085563291646
Energy: 0.6935728318718642
Energy: 0.6680304018110858
Energy: 0.6891608642006475
Energy: 0.6371557844854799
Energy: 0.6889718201537611
Energy: 0.8012985775250399
Energy: 0.7574080847278837
Energy: 0.801298577524577
Energy: 0.7574080847278837
Energy: 0.8012985775250399
Energy: 0.7574080847278837
Energy: 0.7012638367617955
Energy: 0.6619489092221791
Energy: 0.7012638367617955
Energy: 0.6619489092226419
Energy: 0.7012638367617955
Energy: 0.6619489092226419

minimum gb energy = 0.6371557844854799 eV
minimum distance =  2.44113893460718 Angstroms
sigma value = 43


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

Energy: 0.9023061872949621
Energy: 0.7639291771255492
Energy: 0.9023061872949621
Energy: 0.7639291771255492
Energy: 0.9023061872949621
Energy: 0.7639291771255492
Energy: 0.7805896209613251
Energy: 0.6820002255610359
Energy: 0.7805896209613251
Energy: 0.6820002255604674
Energy: 0.7805896209613251
Energy: 0.6820002255610359
Energy: 0.8956863376957563
Energy: 0.9779585296655579
Energy: 0.8956863376957563
Energy: 0.9779585296655579
Energy: 0.8956863376957563
Energy: 0.9779585296655579
Energy: 0.8261974528573715
Energy: 0.6757617628041592
Energy: 0.8261974528573715
Energy: 0.6757253902000706
Energy: 0.8261974528573715
Energy: 0.67629978104425
Energy: 0.7695999985871707
Energy: 0.6553770256352907
Energy: 0.7695999985871707
Energy: 0.6553830788269461
Energy: 0.7695999985871707
Energy: 0.655458821105263
Energy: 0.6856546104514051
Energy: 0.738915414557855
Energy: 0.6857000560558278
Energy: 0.738915414557855
Energy: 0.6857400137601859
Energy: 0.738915414557855
Energy: 0.7855826307440187
Energy: 0.903412479901164
Energy: 0.7855826307440187
Energy: 0.903412479901164
Energy: 0.7855826307440187
Energy: 0.903412479901164
Energy: 0.7214370147645175
Energy: 0.6763892141854045
Energy: 0.7214370147645175
Energy: 0.6747554608002709
Energy: 0.7214370147645175
Energy: 0.6752513450832467
Energy: 0.7732276692766569
Energy: 0.6758270326017224
Energy: 0.7731713477864862
Energy: 0.6758270326017224
Energy: 0.7731747571427721
Energy: 0.6758270326017224
Energy: 0.6569924924526377
Energy: 0.9178432437165783
Energy: 0.6574417517688078
Energy: 0.9178432437165783
Energy: 0.6579150496720332
Energy: 0.9178432437165783
Energy: 0.968780002751194
Energy: 0.8008535989513953
Energy: 0.968780002751194
Energy: 0.8008535989513953
Energy: 0.9687800027506255
Energy: 0.8008535989513953
Energy: 0.7213172979669185
Energy: 0.7771465170735158
Energy: 0.721317297967487
Energy: 0.7771465170735158
Energy: 0.721317297967487
Energy: 0.7771465170729472
Energy: 0.807999633224472
Energy: 0.7396219110324123
Energy: 0.7563414386461623
Energy: 0.7396219110318438
Energy: 0.7563068709868633
Energy: 0.7396219110324123
Energy: 0.6549542834312175
Energy: 0.9064779004869433
Energy: 0.6549542834312175
Energy: 0.9064779004875119
Energy: 0.6549542834312175
Energy: 0.9064779004875119
Energy: 0.8658557390354594
Energy: 0.6708377097850142
Energy: 0.8658557390354594
Energy: 0.6709445282456378
Energy: 0.8658557390354594
Energy: 0.6704390194644777
Energy: 0.7054361011244177
Energy: 0.7865180202844912
Energy: 0.7054140817075015
Energy: 0.786339469972725
Energy: 0.7054442263175725
Energy: 0.7863380033904114
Energy: 0.7715406544733953
Energy: 0.6814647636872624
Energy: 0.7715457006507513
Energy: 0.6814647636872624
Energy: 0.7715672780591567
Energy: 0.6814647636872624
Energy: 0.9783874853787892
Energy: 0.7328993029198982
Energy: 0.9783874853787892
Energy: 0.7328993029198982
Energy: 0.9783874853787892
Energy: 0.7328993029198982
Energy: 0.8048808141685511
Energy: 0.7295638865217495
Energy: 0.8048808141679826
Energy: 0.7295638865211809
Energy: 0.8048808141679826
Energy: 0.7295638865217495
Energy: 0.8446029503477118
Energy: 0.6819206354853816
Energy: 0.8446029503408898
Energy: 0.6819206354853816
Energy: 0.8446029503158755
Energy: 0.6819206354853816
Energy: 0.7061697795675443
Energy: 0.7465785816936045
Energy: 0.7064271739761804
Energy: 0.7465785816936045
Energy: 0.705619948161417
Energy: 0.746578581693036
Energy: 0.937707769114629
Energy: 0.806359539076443
Energy: 0.937707769114629
Energy: 0.806359539076443
Energy: 0.937707769114629
Energy: 0.806359539076443
Energy: 0.6552132627319325
Energy: 0.7961222285805845
Energy: 0.6552132627319325
Energy: 0.7961222285800159
Energy: 0.6552132627319325
Energy: 0.7961222285800159
Energy: 0.8247775708928617
Energy: 0.7400835729279166
Energy: 0.8247775708422906
Energy: 0.7400835729279166
Energy: 0.8247775707093127
Energy: 0.7400835729279166
Energy: 0.7212661599581969
Energy: 0.7579195363533803
Energy: 0.7212661599485322
Energy: 0.757919536331803
Energy: 0.7212661599587653
Energy: 0.7579195363607707
Energy: 0.9358553595653702
Energy: 0.8141601567594056
Energy: 0.9358553595653702
Energy: 0.814160156758837
Energy: 0.9358553595653702
Energy: 0.8141601567594056
Energy: 0.6574427282958999
Energy: 0.8489641918781045
Energy: 0.65811375622446
Energy: 0.8489641918781045
Energy: 0.6581065727274658
Energy: 0.848964191878673
Energy: 0.6871851540594672
Energy: 0.6757322983427454
Energy: 0.6859144899135378
Energy: 0.6757322983427454
Energy: 0.6872667350421912
Energy: 0.6757322983427454
Energy: 0.7213379264998764
Energy: 0.6762745219108353
Energy: 0.7213379264998764
Energy: 0.6745749056564995
Energy: 0.7213379264998764
Energy: 0.6746346182564165
Energy: 0.767024942674581
Energy: 0.7850779926902204
Energy: 0.767024942674581
Energy: 0.7850779926902204
Energy: 0.767024942674581
Energy: 0.7850779926902204
Energy: 0.7044614640531557
Energy: 0.7390748096141063
Energy: 0.6854708400088765
Energy: 0.7390748096141063
Energy: 0.6854792318763199
Energy: 0.7390748096141063

minimum gb energy = 0.6549542834312175 eV
minimum distance =  2.40742916418205 Angstroms
sigma value = 57


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

Energy: 0.8150887083929128
Energy: 0.6974693733036917
Energy: 0.8150887083929128
Energy: 0.6974693733036917
Energy: 0.8150887083929128
Energy: 0.6974693733036917
Energy: 0.7422371712369149
Energy: 0.6447921548128522
Energy: 0.7422371712369149
Energy: 0.6447921548128522
Energy: 0.7422371712369149
Energy: 0.6447921548128522
Energy: 0.6509805836024046
Energy: 0.8333096534379935
Energy: 0.6032191105646023
Energy: 0.8333096534379935
Energy: 0.6030266860984418
Energy: 0.8333096534379935
Energy: 1.1178009510542122
Energy: 0.8295435444431603
Energy: 1.1178009510542122
Energy: 0.8295435444438963
Energy: 1.1178009510542122
Energy: 0.8295435444431603
Energy: 0.773660029281054
Energy: 0.6535989972681197
Energy: 0.773660029281054
Energy: 0.6529786810879994
Energy: 0.773660029281054
Energy: 0.6526760921617593
Energy: 0.648610605729645
Energy: 0.7400643643931372
Energy: 0.6030956175722054
Energy: 0.7400643643931372
Energy: 0.6030365771105206
Energy: 0.7400643643931372
Energy: 0.7392403494336762
Energy: 0.7420410460505289
Energy: 0.7392403494344124
Energy: 0.742041046051265
Energy: 0.7392403494344124
Energy: 0.742041046051265
Energy: 0.7464836361481817
Energy: 0.698189567543195
Energy: 0.7464836361481817
Energy: 0.698189567543195
Energy: 0.7464836361481817
Energy: 0.698189567543195
Energy: 0.6949804674202483
Energy: 0.6472220948482927
Energy: 0.6949804674202483
Energy: 0.6472220948482927
Energy: 0.6949804674202483
Energy: 0.6472220948482927
Energy: 0.6138946961501145
Energy: 0.7407977300553471
Energy: 0.6138946961501145
Energy: 0.7407977300560832
Energy: 0.6138946961501145
Energy: 0.7407977300553471
Energy: 0.7388461365925828
Energy: 0.6431139042769785
Energy: 0.7388461365925828
Energy: 0.6432314682483182
Energy: 0.7388461365925828
Energy: 0.6431332573154187
Energy: 0.7352534199030568
Energy: 0.7701869409982923
Energy: 0.7352534199030568
Energy: 0.7701869318763029
Energy: 0.7352534199030568
Energy: 0.7701869173862131
Energy: 0.5902186301987621
Energy: 0.6472075540093085
Energy: 0.590577704642546
Energy: 0.6472075540093085
Energy: 0.5906459363110416
Energy: 0.6472075540093085
Energy: 0.7413528144509018
Energy: 0.6884161320655694
Energy: 0.7413528144516379
Energy: 0.6884161320655694
Energy: 0.7413528144509018
Energy: 0.6884161320655694
Energy: 0.6912466430952929
Energy: 0.665868045109346
Energy: 0.6912466430952929
Energy: 0.665868045109346
Energy: 0.6912466430952929
Energy: 0.665868045109346
Energy: 0.7359906925602626
Energy: 0.7170510412755947
Energy: 0.7359906925602626
Energy: 0.7170510412755947
Energy: 0.7359906925602626
Energy: 0.7170510412748586
Energy: 0.613421523563694
Energy: 0.7423622488311922
Energy: 0.613421523563694
Energy: 0.7423622488311922
Energy: 0.613421523563694
Energy: 0.7423622488311922
Energy: 0.7373459071449583
Energy: 0.6093914904696126
Energy: 0.7373459071449583
Energy: 0.6093210310528206
Energy: 0.7373459071449583
Energy: 0.609369054785451
Energy: 0.6136079201487948
Energy: 0.7423074526476852
Energy: 0.6136079201487948
Energy: 0.7423074526476852
Energy: 0.6136079201480588
Energy: 0.7423074526476852
Energy: 0.7339217971947423
Energy: 0.7170909512832461
Energy: 0.7339217971947423
Energy: 0.7170909512832461
Energy: 0.7339217971947423
Energy: 0.71709095128251
Energy: 0.690716568430434
Energy: 0.6656774024949771
Energy: 0.690716568430434
Energy: 0.665677402494241
Energy: 0.690716568430434
Energy: 0.665677402494241
Energy: 0.7416619641902668
Energy: 0.7534337474042202
Energy: 0.7416619641983637
Energy: 0.7534337474042202
Energy: 0.7416619641968916
Energy: 0.7534337474042202
Energy: 0.6112527075403192
Energy: 0.6470505457526575
Energy: 0.6034768918055726
Energy: 0.6470505457526575
Energy: 0.5906136904832364
Energy: 0.6470505457526575
Energy: 0.7401788753587722
Energy: 0.7703886640345391
Energy: 0.7401788753587722
Energy: 0.7703886535852129
Energy: 0.7401788753587722
Energy: 0.7703886381217117

minimum gb energy = 0.5902186301987621 eV
minimum distance =  2.36983537985898 Angstroms
sigma value = 17


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

Energy: 0.7075159120546853
Energy: 0.6523273213670376
Energy: 0.707502349626209
Energy: 0.6523273213670376
Energy: 0.7075235164771165
Energy: 0.6523273213670376
Energy: 0.6706377769422417
Energy: 0.6680508192421095
Energy: 0.6706377769422417
Energy: 0.6680508192421095
Energy: 0.6706377769432827
Energy: 0.6680508192421095
Energy: 0.7322793162717821
Energy: 0.7932087560985722
Energy: 0.59871216325408
Energy: 0.7932087560985722
Energy: 0.5986459197686853
Energy: 0.7932087560985722
Energy: 0.6291844167906702
Energy: 0.8044710409709079
Energy: 0.6291844167906702
Energy: 0.8044710409709079
Energy: 0.6291844167906702
Energy: 0.8044710409688258
Energy: 0.7609190224218625
Energy: 0.7817378853467211
Energy: 0.7609190222720312
Energy: 0.7817378853467211
Energy: 0.7609190218006531
Energy: 0.7817378853477621
Energy: 0.5860950470868
Energy: 0.7498787912793768
Energy: 0.570010140182532
Energy: 0.7498787912793768
Energy: 0.570033390182368
Energy: 0.7498787912793768
Energy: 0.6597691486645493
Energy: 0.6703908628371782
Energy: 0.6597691484793244
Energy: 0.6703908628371782
Energy: 0.6597691481754979
Energy: 0.6703908628371782
Energy: 0.6296414436266632
Energy: 0.65100432313295
Energy: 0.6296414436266632
Energy: 0.6455199364301635
Energy: 0.6296414436266632
Energy: 0.6459729242890566
Energy: 0.7729707944070454
Energy: 0.6781454436442526
Energy: 0.7729707944070454
Energy: 0.6781454436432116
Energy: 0.7729707944070454
Energy: 0.6781454436432116
Energy: 0.7219057806630401
Energy: 0.6674697896630973
Energy: 0.7219057806630401
Energy: 0.6674697896630973
Energy: 0.7219057806630401
Energy: 0.6674697896630973
Energy: 0.7037528578375039
Energy: 0.6265497718722961
Energy: 0.7037528578375039
Energy: 0.6265497718722961
Energy: 0.7037528578375039
Energy: 0.6265497718722961
Energy: 0.672781045540575
Energy: 0.6677159121258288
Energy: 0.6727804402866113
Energy: 0.6677159121258288
Energy: 0.67277851576267
Energy: 0.6677159121258288
Energy: 0.6209489871961147
Energy: 0.7444902229311767
Energy: 0.6209489871961147
Energy: 0.7444902229311767
Energy: 0.6209489871961147
Energy: 0.7444902229311767
Energy: 0.7121572539732313
Energy: 0.8035584315505803
Energy: 0.7121572539732313
Energy: 0.8035584315516212
Energy: 0.7121572539732313
Energy: 0.8035584315516212
Energy: 0.733913310989456
Energy: 0.7117161452227722
Energy: 0.7339132720467415
Energy: 0.7117161452227722
Energy: 0.7339131750905575
Energy: 0.7117161452227722
Energy: 0.7338067805921206
Energy: 0.7404574436106838
Energy: 0.7338042811881811
Energy: 0.7404574436106838
Energy: 0.6227948879757356
Energy: 0.7404574436106838
Energy: 0.7117321810392232
Energy: 0.5530049658706029
Energy: 0.7117321810392232
Energy: 0.552943148949769
Energy: 0.7117321810392232
Energy: 0.5526490728799948

minimum gb energy = 0.5526490728799948 eV
minimum distance =  2.42950887889048 Angstroms
sigma value = 17


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

Energy: 0.6709926528206692
Energy: 0.6253973197094078
Energy: 0.6709926528210712
Energy: 0.6253973197094078
Energy: 0.6709926528206692
Energy: 0.6253973197094078
Energy: 0.6408788708753512
Energy: 0.6269842208169063
Energy: 0.6408788708757532
Energy: 0.6269842208165043
Energy: 0.6408788708753512
Energy: 0.6269842208169063
Energy: 0.6585571255150683
Energy: 0.6594704153077724
Energy: 0.6585571255074304
Energy: 0.6594704153077724
Energy: 0.6585571254861615
Energy: 0.6594704153077724
Energy: 0.597196902055278
Energy: 0.6430508338564767
Energy: 0.597196902055278
Energy: 0.6429807523312823
Energy: 0.597196902055278
Energy: 0.5921416103922119
Energy: 0.6246475525343781
Energy: 0.6243390090086635
Energy: 0.6246475525347801
Energy: 0.6243390090086635
Energy: 0.6246475525343781
Energy: 0.6243390090086635
Energy: 0.6737447122539278
Energy: 0.6610471717792502
Energy: 0.6737447122539278
Energy: 0.6610471717792502
Energy: 0.6737447122539278
Energy: 0.6610471717792502
Energy: 0.6399803338521233
Energy: 0.6560960692075606
Energy: 0.6399803338521233
Energy: 0.6560960692075606
Energy: 0.6399803338521233
Energy: 0.6560960692079625
Energy: 0.669878982294372
Energy: 0.7138762760014246
Energy: 0.66987898121992
Energy: 0.7138762760014246
Energy: 0.6698789784397415
Energy: 0.7138762760014246
Energy: 0.682447103655243
Energy: 0.6742650954646506
Energy: 0.6824471036556448
Energy: 0.6742650954670625
Energy: 0.682447103655243
Energy: 0.6742650954678665
Energy: 0.6384465155726023
Energy: 0.577372927612389
Energy: 0.6384465155722004
Energy: 0.577372927612389
Energy: 0.6384465155726023
Energy: 0.577372927612389
Energy: 0.5994395941127766
Energy: 0.6771866323124202
Energy: 0.5994395941127766
Energy: 0.6771866227781874
Energy: 0.5994395941123747
Energy: 0.6771866012365558
Energy: 0.66269905196635
Energy: 0.7126514351111958
Energy: 0.6626990519603202
Energy: 0.7126514351111958
Energy: 0.6626990519398186
Energy: 0.7126514351111958
Energy: 0.647555621900293
Energy: 0.6239909164154203
Energy: 0.647555621900293
Energy: 0.6239909164154203
Energy: 0.647555621900293
Energy: 0.6239909164150184
Energy: 0.6532798226777458
Energy: 0.6106456503583921
Energy: 0.6532798226777458
Energy: 0.6106456503583921
Energy: 0.6532798226777458
Energy: 0.610645650358794
Energy: 0.6662909044317583
Energy: 0.6509700741684721
Energy: 0.6662909044321603
Energy: 0.6509700741684721
Energy: 0.6662909044325623
Energy: 0.6509700741684721
Energy: 0.5977710893421759
Energy: 0.6639748499878718
Energy: 0.5977710893421759
Energy: 0.6639748499882739
Energy: 0.5977710893421759
Energy: 0.6639748499878718
Energy: 0.6526629321503837
Energy: 0.6902750589878571
Energy: 0.6526629321503837
Energy: 0.6902750589878571
Energy: 0.6526629321503837
Energy: 0.6902750589878571
Energy: 0.7097295901401357
Energy: 0.5980712257996718
Energy: 0.7097295901401357
Energy: 0.5980712257996718
Energy: 0.7097295901401357
Energy: 0.5980712257996718
Energy: 0.6747414786062508
Energy: 0.6656710345220731
Energy: 0.6747414786058489
Energy: 0.6656710345220731
Energy: 0.6747414786058489
Energy: 0.6656710345220731
Energy: 0.6526509983561928
Energy: 0.5840946159831994
Energy: 0.6526509983561928
Energy: 0.5840946159831994
Energy: 0.6526509983561928
Energy: 0.5840946159831994
Energy: 0.6743271145867422
Energy: 0.6654953146288869
Energy: 0.6743271145867422
Energy: 0.6654953146296908
Energy: 0.6743271145867422
Energy: 0.6654953146292889
Energy: 0.709850132962141
Energy: 0.5980652186894648
Energy: 0.709850132962141
Energy: 0.5980652186894648
Energy: 0.709850132962141
Energy: 0.5980652186890628
Energy: 0.6526604012198998
Energy: 0.6902814560751979
Energy: 0.6526604012198998
Energy: 0.6902814560751979
Energy: 0.6526604012198998
Energy: 0.6902814560751979
Energy: 0.5973887464352687
Energy: 0.7177560091725398
Energy: 0.5973887464348668
Energy: 0.7177560091725398
Energy: 0.5973887464352687
Energy: 0.7177560091725398
Energy: 0.6667051197765552
Energy: 0.6397141798709829
Energy: 0.6667051197765552
Energy: 0.6397141798709829
Energy: 0.6667051197769572
Energy: 0.6397141798709829
Energy: 0.6532102708644548
Energy: 0.6112289552569456
Energy: 0.6532102708644548
Energy: 0.6112289552569456
Energy: 0.6532102708644548
Energy: 0.6112289552569456
Energy: 0.64818112525078
Energy: 0.6238017263625489
Energy: 0.64818112525078
Energy: 0.6238017263625489
Energy: 0.64818112525078
Energy: 0.6238017263621468
Energy: 0.6618687913344262
Energy: 0.6465748665344206
Energy: 0.6618687912910477
Energy: 0.6465748665340186
Energy: 0.6618687911833502
Energy: 0.6465748665348227
Energy: 0.6000126451072763
Energy: 0.6763350905360095
Energy: 0.6000126451064722
Energy: 0.6763347085589597
Energy: 0.6000126451068744
Energy: 0.6763342402064579
Energy: 0.6385756081907941
Energy: 0.5773595608309293
Energy: 0.6385756081907941
Energy: 0.5773595608313313
Energy: 0.6385756081907941
Energy: 0.5773595608313313
Energy: 0.6821816731624931
Energy: 0.6744243967871748
Energy: 0.6821816731624931
Energy: 0.6744243967879788
Energy: 0.6821816731624931
Energy: 0.6744243967879788
Energy: 0.6703619491543881
Energy: 0.7134665081768962
Energy: 0.6703619492419858
Energy: 0.7134665081768962
Energy: 0.6703619490495046
Energy: 0.7134665081768962
Energy: 0.6400882585063058
Energy: 0.6558898763423506
Energy: 0.6400882585063058
Energy: 0.6558898763427526
Energy: 0.6400882585063058
Energy: 0.6558898763423506
Energy: 0.6741753549631134
Energy: 0.6160006070540619
Energy: 0.6741753549631134
Energy: 0.6160006070540619
Energy: 0.6741753549631134
Energy: 0.6160006070540619
Energy: 0.6266818525404282
Energy: 0.6239800096820295
Energy: 0.6266818525408302
Energy: 0.6239800096820295
Energy: 0.6266818525384182
Energy: 0.6239800096816274
Energy: 0.5976404175938244
Energy: 0.7085087950308218
Energy: 0.5976404175938244
Energy: 0.7085087950308218
Energy: 0.5976404175938244
Energy: 0.7085087950312238
Energy: 0.6587728339471153
Energy: 0.659860383068521
Energy: 0.6587728339394775
Energy: 0.659860383068521
Energy: 0.6587728339270522
Energy: 0.659860383068521
Energy: 0.6409068534956324
Energy: 0.6151358430531142
Energy: 0.6409068534956324
Energy: 0.6151358430531142
Energy: 0.6409068534956324
Energy: 0.6151358430531142
Energy: 0.6709926528206692
Energy: 0.6253973197094078
Energy: 0.6709926528206692
Energy: 0.6253973197094078
Energy: 0.6709926528206692
Energy: 0.6253973197094078
Energy: 0.6408788708765573
Energy: 0.6269842208165043
Energy: 0.6408788708765573
Energy: 0.6269842208165043
Energy: 0.6408788708765573
Energy: 0.6269842208165043
Energy: 0.6585571255150683
Energy: 0.6594704153077724
Energy: 0.6585571255078325
Energy: 0.6594704153077724
Energy: 0.6585571254873676
Energy: 0.6594704153077724
Energy: 0.597196902055278
Energy: 0.6981138116269688
Energy: 0.597196902055278
Energy: 0.6981138116269688
Energy: 0.597196902055278
Energy: 0.6981138116269688
Energy: 0.6246475525351821
Energy: 0.6243390090086635
Energy: 0.6246475525343781
Energy: 0.6243390090086635
Energy: 0.6246475525347801
Energy: 0.6243390090086635

minimum gb energy = 0.5773595608309293 eV
minimum distance =  2.41964096926392 Angstroms
sigma value = 57


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

Energy: 0.6221661147051525
Energy: 0.5890837198531785
Energy: 0.6221661147051525
Energy: 0.5890837198531785
Energy: 0.6221661147051525
Energy: 0.5890837198531785
Energy: 0.5882740565408485
Energy: 0.6164449839130891
Energy: 0.5882740565408485
Energy: 0.6164449839130891
Energy: 0.5882740565408485
Energy: 0.6164449839130891
Energy: 0.6231942106718821
Energy: 0.6135729733086933
Energy: 0.6231942106175851
Energy: 0.6135729733086933
Energy: 0.6231942104520461
Energy: 0.6135729733086933
Energy: 0.5868257058449905
Energy: 0.6540993519488397
Energy: 0.5868257058443359
Energy: 0.6540993519488397
Energy: 0.5868257058443359
Energy: 0.6540993519488397
Energy: 0.5897829012517313
Energy: 0.5986609294530566
Energy: 0.5897829012536948
Energy: 0.5986609294530566
Energy: 0.5897829012536948
Energy: 0.5986609294530566
Energy: 0.6246840508500424
Energy: 0.5773359311406076
Energy: 0.6246840508500424
Energy: 0.5773359311406076
Energy: 0.6246840508500424
Energy: 0.5773359311406076
Energy: 0.5796106249333757
Energy: 0.6305163393990246
Energy: 0.5796106249333757
Energy: 0.6305163393996792
Energy: 0.5796106249333757
Energy: 0.6305163393990246
Energy: 0.6504346211350853
Energy: 0.6290173004967279
Energy: 0.6504346211252672
Energy: 0.6290173005216002
Energy: 0.6504346211533826
Energy: 0.6290173005124368
Energy: 0.5918129240372759
Energy: 0.5784029645331331
Energy: 0.5918129240366213
Energy: 0.5784029645331331
Energy: 0.5918129240372759
Energy: 0.5784029645331331
Energy: 0.5909036126809627
Energy: 0.601207888049985
Energy: 0.5909036126809627
Energy: 0.601207888049985
Energy: 0.5909036126809627
Energy: 0.601207888049985
Energy: 0.5772747810267153
Energy: 0.6752603868808928
Energy: 0.5772747810267153
Energy: 0.6752603868815474
Energy: 0.5772747810267153
Energy: 0.675260386882202
Energy: 0.622992857613662
Energy: 0.5724655296458452
Energy: 0.622992857613662
Energy: 0.5724655296458452
Energy: 0.622992857613662
Energy: 0.5724655296458452
Energy: 0.5896921356753786
Energy: 0.629551317910633
Energy: 0.5896921356753786
Energy: 0.629551317910633
Energy: 0.5896921356753786
Energy: 0.629551317910633
Energy: 0.6250220602272162
Energy: 0.61466663167078
Energy: 0.6250220602272162
Energy: 0.61466663167078
Energy: 0.6250220602272162
Energy: 0.61466663167078
Energy: 0.6583961164485889
Energy: 0.615520157475312
Energy: 0.6583961164485889
Energy: 0.615520157475312
Energy: 0.6583961164485889
Energy: 0.6155201574759666
Energy: 0.6320272529825461
Energy: 0.5829859723517061
Energy: 0.6320272529825461
Energy: 0.5829859723517061
Energy: 0.6320272529825461
Energy: 0.5829859723517061
Energy: 0.6080035182584301
Energy: 0.5970876163368456
Energy: 0.6080035182584301
Energy: 0.5970876163368456
Energy: 0.6080035182584301
Energy: 0.5970876163368456
Energy: 0.6180720590421468
Energy: 0.622281258066392
Energy: 0.6180720590421468
Energy: 0.622281258066392
Energy: 0.6180720590421468
Energy: 0.6222812580683555
Energy: 0.5657376851655649
Energy: 0.6282694119005969
Energy: 0.5657376851662195
Energy: 0.6282694119005969
Energy: 0.5657376851662195
Energy: 0.6282694119005969
Energy: 0.6169373203257154
Energy: 0.6512433809987788
Energy: 0.6169373203257154
Energy: 0.6512433809987788
Energy: 0.6169373203257154
Energy: 0.6512433809987788
Energy: 0.653781777880228
Energy: 0.6014114019719699
Energy: 0.653781777880228
Energy: 0.6014114019719699
Energy: 0.653781777880228
Energy: 0.6014114019719699
Energy: 0.561353994500836
Energy: 0.6295230982082011
Energy: 0.561353994500836
Energy: 0.6295230982049284
Energy: 0.561353994500836
Energy: 0.6295230982088555
Energy: 0.6075525416396101
Energy: 0.6317929322645094
Energy: 0.6075525416389557
Energy: 0.6317929322645094
Energy: 0.6075525416389557
Energy: 0.6317929322645094
Energy: 0.6197840323176409
Energy: 0.8147745448572488
Energy: 0.6197840323182955
Energy: 0.8147745448572488
Energy: 0.6197840323176409
Energy: 0.8147745448572488
Energy: 0.6250086186260813
Energy: 0.5963622057709791
Energy: 0.625008618628045
Energy: 0.59636220576967
Energy: 0.6250086186260813
Energy: 0.5963622057703245
Energy: 0.5885729424305324
Energy: 0.6249353567718653
Energy: 0.5885729424305324
Energy: 0.6249353567718653
Energy: 0.5885729424305324
Energy: 0.6249353567725199
Energy: 0.556927717205355
Energy: 0.6282372405814037
Energy: 0.5569277172060096
Energy: 0.6282372405814037
Energy: 0.556927717205355
Energy: 0.6282372405807491

minimum gb energy = 0.556927717205355 eV
minimum distance =  2.38292715032156 Angstroms
sigma value = 43


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

Energy: 0.5952800554813028
Energy: 0.5274038841670478
Energy: 0.5952800554813028
Energy: 0.5274038841670478
Energy: 0.5952800554813028
Energy: 0.5274038841670478
Energy: 0.5280446987596055
Energy: 0.5731714334144995
Energy: 0.5280446987548365
Energy: 0.5731714334144995
Energy: 0.5280446987319453
Energy: 0.5731714334144995
Energy: 0.5414031265476394
Energy: 0.5712919573098659
Energy: 0.5414029118285064
Energy: 0.5712919573093891
Energy: 0.5414023627567023
Energy: 0.5712919573093891
Energy: 0.5553316643279618
Energy: 0.5623885839126537
Energy: 0.5553316643279618
Energy: 0.5623885839126537
Energy: 0.5553316643279618
Energy: 0.5623885839126537
Energy: 0.5236036521604992
Energy: 0.5299750772999131
Energy: 0.5236036522868128
Energy: 0.5299750772999131
Energy: 0.5236036521771692
Energy: 0.5299750772999131
Energy: 0.5286814596156701
Energy: 0.5191717878965173
Energy: 0.5286814596156701
Energy: 0.5191717878965173
Energy: 0.5286814596156701
Energy: 0.5191717878965173
Energy: 0.5279342583388723
Energy: 0.5869167732465163
Energy: 0.5279342583388723
Energy: 0.5869167732465163
Energy: 0.5279342583398261
Energy: 0.5869167732465163
Energy: 0.672043213256739
Energy: 0.47147001501536295
Energy: 0.6720434597805258
Energy: 0.47147001501488606
Energy: 0.671786413530623
Energy: 0.47147001501536295
Energy: 0.5346616102586005
Energy: 0.5112530603000678
Energy: 0.5346616102581236
Energy: 0.5112530603000678
Energy: 0.5346616102581236
Energy: 0.5112530603000678
Energy: 0.5308858705045697
Energy: 0.558844050218009
Energy: 0.5308858705045697
Energy: 0.558844050218009
Energy: 0.5308858705045697
Energy: 0.558844050218009
Energy: 0.48251422827956303
Energy: 0.4710030514294715
Energy: 0.48275163411841654
Energy: 0.4706186057211165
Energy: 0.4798017572926077
Energy: 0.47076967930824576
Energy: 0.5021924576227428
Energy: 0.5159733862086712
Energy: 0.5021924576222659
Energy: 0.5159733862086712
Energy: 0.5021924576227428
Energy: 0.5159733862086712
Energy: 0.5294815213971156
Energy: 0.49984323755846205
Energy: 0.5294815213971156
Energy: 0.4998432375594159
Energy: 0.5294815213975924
Energy: 0.499843237558939
Energy: 0.48215154246641584
Energy: 0.6015785474960067
Energy: 0.4821515424616469
Energy: 0.6015785474960067
Energy: 0.482151542465462
Energy: 0.6015785474960067
Energy: 0.5218354749801943
Energy: 0.5173642498229448
Energy: 0.5218354749768561
Energy: 0.5173642498229448
Energy: 0.5218354749635029
Energy: 0.5173642498224679
Energy: 0.5459805965668721
Energy: 0.5429090374891862
Energy: 0.5459805965663953
Energy: 0.5429090374891862
Energy: 0.5459805965668721
Energy: 0.5429090374891862
Energy: 0.494887125013663
Energy: 0.5750220619855031
Energy: 0.49488712501509363
Energy: 0.5750220619855031
Energy: 0.4948871250761152
Energy: 0.5750220619855031
Energy: 0.5406093019860846
Energy: 0.5174715694302258
Energy: 0.5406093019860846
Energy: 0.5174715694307027
Energy: 0.5406093019860846
Energy: 0.5174715694307027
Energy: 0.533793620879672
Energy: 0.5488678625057193
Energy: 0.533793620879672
Energy: 0.5488678625057193
Energy: 0.533793620879672
Energy: 0.5488678625057193
Energy: 0.5809006427126369
Energy: 0.5125449425239833
Energy: 0.5809006427126369
Energy: 0.5125449425230296
Energy: 0.5809006427121599
Energy: 0.5125449425244603
Energy: 0.5446960907541744
Energy: 0.5410376379075336
Energy: 0.5446956921295638
Energy: 0.541037637901334
Energy: 0.5446948816712884
Energy: 0.5410376379027645
Energy: 0.5777786973280443
Energy: 0.5620574112874861
Energy: 0.5777786973280443
Energy: 0.5620574112879629
Energy: 0.5777786973280443
Energy: 0.5620574112874861
Energy: 0.5417563719578752
Energy: 0.5260156238880694
Energy: 0.5417563719583521
Energy: 0.5260156238875926
Energy: 0.5417563719573982
Energy: 0.5260156238880694
Energy: 0.5444984773896755
Energy: 0.5401562209524939
Energy: 0.5444984773891985
Energy: 0.5401562209524939
Energy: 0.5444984773858603
Energy: 0.5401562209524939
Energy: 0.5369137294988692
Energy: 0.509465655486034
Energy: 0.5369137294988692
Energy: 0.5094656554855572
Energy: 0.5369137294988692
Energy: 0.509465655486034
Energy: 0.5391436781952325
Energy: 0.5602847756817918
Energy: 0.5391436781952325
Energy: 0.5602847756817918
Energy: 0.5391436781952325
Energy: 0.5602847756817918
Energy: 0.5593943076808479
Energy: 0.5233684994261998
Energy: 0.5593943076808479
Energy: 0.5233684994261998
Energy: 0.5593943076808479
Energy: 0.5233684994261998
Energy: 0.5053595062228503
Energy: 0.5033162562380038
Energy: 0.5053595062228503
Energy: 0.5033162562384805
Energy: 0.5053595062228503
Energy: 0.5033162562346655
Energy: 0.5067329413993658
Energy: 0.5330011294916518
Energy: 0.5067329413993658
Energy: 0.5330011294916518
Energy: 0.5067329413993658
Energy: 0.5330011294916518
Energy: 0.5606061474666432
Energy: 0.5313258084225174
Energy: 0.5606061474666432
Energy: 0.5313258084225174
Energy: 0.5606061474661663
Energy: 0.5313258084229944
Energy: 0.4713609015112758
Energy: 0.673206125876977
Energy: 0.471360901510322
Energy: 0.6732061258765001
Energy: 0.47136090151079885
Energy: 0.6732061258755464
Energy: 0.5067444419671061
Energy: 0.5166189730844345
Energy: 0.5067444419671061
Energy: 0.5166189730844345
Energy: 0.5067444419671061
Energy: 0.5166189730844345
Energy: 0.5392835162265103
Energy: 0.5084138361092929
Energy: 0.5392835162265103
Energy: 0.508413836108339
Energy: 0.5392835162260334
Energy: 0.508413836123123
Energy: 0.4826808973522415
Energy: 0.4713323538436193
Energy: 0.48384878442416807
Energy: 0.4715223348779611
Energy: 0.4834898738776288
Energy: 0.4715503340758566
Energy: 0.5294088128509534
Energy: 0.49575342718551263
Energy: 0.5294088128509534
Energy: 0.49575342718455884
Energy: 0.5294088128509534
Energy: 0.4957534271831281
Energy: 0.4952482975334325
Energy: 0.5082381946372045
Energy: 0.49524829753295563
Energy: 0.5082381946372045
Energy: 0.4952482975334325
Energy: 0.5082381946372045

minimum gb energy = 0.4706186057211165 eV
minimum distance =  2.37940934703576 Angstroms
sigma value = 81


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

Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.5955224311327213
Energy: 0.02566830735369284
Energy: 0.5955224311327213
Energy: 0.02566158285018062
Energy: 0.5955224311327213
Energy: 0.025669187761164624
Energy: 0.5955403712776546
Energy: 0.025923791190678683
Energy: 0.5955403712776546
Energy: 0.025924626067057185
Energy: 0.5955403712776546
Energy: 0.025929390859195475
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.5955224311344735
Energy: 0.025659995687811205
Energy: 0.5955224311327213
Energy: 0.02567074030405968
Energy: 0.5955224311327213
Energy: 0.02566036720868681
Energy: 0.5955403712776546
Energy: 0.025921824277285017
Energy: 0.5955403712776546
Energy: 0.025919115276654903
Energy: 0.5955403712776546
Energy: 0.025926983571291858
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.5955224311327213
Energy: 0.025665648064929512
Energy: 0.5955224311327213
Energy: 0.02565798760796386
Energy: 0.5955224311327213
Energy: 0.025658354119652997
Energy: 0.5955403712776546
Energy: 0.025920438281238124
Energy: 0.5955403712776546
Energy: 0.025923648034649336
Energy: 0.5955403712776546
Energy: 0.02592167164056266
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186
Energy: 0.0248715684869959
Energy: 0.05580155939615186

minimum gb energy = 0.0248715684869959 eV
minimum distance =  2.54481872464325 Angstroms
sigma value = 3


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

Energy: 0.5004830163256178
Energy: 0.40994493754691813
Energy: 0.5004830163256178
Energy: 0.40994493754744243
Energy: 0.5004830163256178
Energy: 0.40994493754691813
Energy: 0.40482212394387773
Energy: 0.386651204746409
Energy: 0.40482212394335343
Energy: 0.386651204746409
Energy: 0.40482212394387773
Energy: 0.386651204746409
Energy: 0.48539109333386127
Energy: 0.3866194499364639
Energy: 0.48539109333386127
Energy: 0.3866194499364639
Energy: 0.48539109333386127
Energy: 0.3866194499364639
Energy: 0.49557944670115717
Energy: 0.46504892463413305
Energy: 0.49557944670115717
Energy: 0.46504892339508525
Energy: 0.4955794467016816
Energy: 0.4650489217199575
Energy: 0.39188901875983506
Energy: 0.45148438868491825
Energy: 0.39188901875983506
Energy: 0.45148438868544255
Energy: 0.39188901875983506
Energy: 0.45148438868544255
Energy: 0.47699514481155336
Energy: 0.39024207111707987
Energy: 0.47699514481155336
Energy: 0.39024207111707987
Energy: 0.47699514481155336
Energy: 0.39024207111707987
Energy: 0.48458949765001186
Energy: 0.5536267307161762
Energy: 0.48458949765001186
Energy: 0.5536267307161762
Energy: 0.48458949765001186
Energy: 0.5536267307161762
Energy: 0.387746036682093
Energy: 0.4566956079247858
Energy: 0.38774603668261737
Energy: 0.4566956079247858
Energy: 0.387746036682093
Energy: 0.4566956079242615
Energy: 0.4850273350296309
Energy: 0.4363120720288888
Energy: 0.4850273350296309
Energy: 0.43631207203046185
Energy: 0.4850273350296309
Energy: 0.4363120720283644
Energy: 0.43598823105312356
Energy: 0.4309587028727053
Energy: 0.43598823105312356
Energy: 0.4309587028727053
Energy: 0.43598823105312356
Energy: 0.4309587028727053
Energy: 0.42321659013107393
Energy: 0.4629423422268269
Energy: 0.42321659013107393
Energy: 0.4629423422268269
Energy: 0.42321659013107393
Energy: 0.4629423422268269
Energy: 0.4965169058694153
Energy: 0.3430715271344315
Energy: 0.4965169058694153
Energy: 0.3429576250542572
Energy: 0.4965169058641717
Energy: 0.3430882696781479
Energy: 0.43233171555028516
Energy: 0.3977278789001171
Energy: 0.43233171555028516
Energy: 0.3977278789001171
Energy: 0.43233171555028516
Energy: 0.3977278789001171
Energy: 0.4440452296062649
Energy: 0.4380070009517263
Energy: 0.4440451825497865
Energy: 0.4380070009517263
Energy: 0.44404508546447347
Energy: 0.4380070009517263
Energy: 0.3668664909720402
Energy: 0.4487403048626698
Energy: 0.3668664909720402
Energy: 0.44874030230334544
Energy: 0.3668664909720402
Energy: 0.44874029890592093
Energy: 0.43416888808016324
Energy: 0.3901798563268938
Energy: 0.43416888808016324
Energy: 0.3901798563263693
Energy: 0.43416888808016324
Energy: 0.3901798563263693
Energy: 0.3457844676287594
Energy: 0.49412177838655963
Energy: 0.3463714863334727
Energy: 0.49412177838655963
Energy: 0.3464648765788008
Energy: 0.49412177838655963
Energy: 0.3863965959632078
Energy: 0.4584920943076737
Energy: 0.3863965959632078
Energy: 0.4584920943019057
Energy: 0.3863965959632078
Energy: 0.4584920942930153
Energy: 0.4496817415968543
Energy: 0.5717450937471287
Energy: 0.44968174159737867
Energy: 0.5717450937471287
Energy: 0.4496817415968543
Energy: 0.5717450937471287
Energy: 0.3752316408532498
Energy: 0.47023527039221735
Energy: 0.34794133918087966
Energy: 0.47023527039221735
Energy: 0.348226295339199
Energy: 0.47023527039221735
Energy: 0.3838639713899504
Energy: 0.3567196795941996
Energy: 0.3838639713899504
Energy: 0.35671967959367523
Energy: 0.3838639713899504
Energy: 0.35671967959367523
Energy: 0.3853064248711271
Energy: 0.4425458532008515
Energy: 0.3853064247966913
Energy: 0.4425458532008515
Energy: 0.3853064246761353
Energy: 0.4425458532008515
Energy: 0.47184728855698277
Energy: 0.4726185292712102
Energy: 0.47184726216541933
Energy: 0.4726185292712102
Energy: 0.47184700833036874
Energy: 0.4726185292712102
Energy: 0.4717495569276838
Energy: 0.3907412405023699
Energy: 0.4717495569276838
Energy: 0.3907412405023699
Energy: 0.471749556926635
Energy: 0.3907412405028942
Energy: 0.3871792612483444
Energy: 0.34326738526304007
Energy: 0.3871792612457226
Energy: 0.34244966870796106
Energy: 0.3871792612499175
Energy: 0.3426972413680434
Energy: 0.4570827694414352
Energy: 0.48349991472614556
Energy: 0.4570827694414352
Energy: 0.48349991472614556
Energy: 0.4570827694414352
Energy: 0.4834999147266699
Energy: 0.5415388184839873
Energy: 0.38954755974940863
Energy: 0.5415388184839873
Energy: 0.38954755974940863
Energy: 0.5415388184839873
Energy: 0.38954755974940863
Energy: 0.4829938711522405
Energy: 0.4495775655188332
Energy: 0.4829938711522405
Energy: 0.44957755838174146
Energy: 0.4829938711522405
Energy: 0.4495775479903288
Energy: 0.447185277832599
Energy: 0.4532654473285268
Energy: 0.447185277832599
Energy: 0.4532654473285268
Energy: 0.447185277832599
Energy: 0.4532654473285268
Energy: 0.5415137217561535
Energy: 0.4228710871822262
Energy: 0.5415137217561535
Energy: 0.4228710860621613
Energy: 0.5415137217561535
Energy: 0.4228710842051508
Energy: 0.5027943151003342
Energy: 0.4799036819848189
Energy: 0.5027943151003342
Energy: 0.47990368196436867
Energy: 0.5027943151003342
Energy: 0.47990368190881005
Energy: 0.435838180491597
Energy: 0.4258578420514758
Energy: 0.435838180491597
Energy: 0.4258578420514758
Energy: 0.435838180491597
Energy: 0.4258578420509515
Energy: 0.48147478605383465
Energy: 0.43821382664970127
Energy: 0.48147478605331034
Energy: 0.4382046298448091
Energy: 0.48147478605383465
Energy: 0.4381874982780008

minimum gb energy = 0.34244966870796106 eV
minimum distance =  2.42549935330027 Angstroms
sigma value = 67


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

Energy: 0.6183843451265606
Energy: 0.5680847974544556
Energy: 0.6183843451258135
Energy: 0.5680847974544556
Energy: 0.6183843451258135
Energy: 0.5680847974544556
Energy: 0.5625105190910797
Energy: 0.5676117246584529
Energy: 0.5625105190910797
Energy: 0.5676117246584529
Energy: 0.5625105190910797
Energy: 0.5676117246584529
Energy: 0.6056211015673082
Energy: 0.5656388983716987
Energy: 0.6056211015673082
Energy: 0.5656388983716987
Energy: 0.6056211015673082
Energy: 0.5656388983716987
Energy: 0.6017683011012627
Energy: 0.5820902887023734
Energy: 0.6017683011020097
Energy: 0.5820902887023734
Energy: 0.6017683011012627
Energy: 0.5820902887016263
Energy: 0.5096032660130139
Energy: 0.5534211289667286
Energy: 0.5096032660130139
Energy: 0.5534211289667286
Energy: 0.5096032660130139
Energy: 0.5534211289667286
Energy: 0.6103073187017778
Energy: 0.5879558333475683
Energy: 0.6103073187017778
Energy: 0.5879558333475683
Energy: 0.6103073187017778
Energy: 0.5879558333475683
Energy: 0.5542527195743452
Energy: 0.5632417794237843
Energy: 0.5542527195743452
Energy: 0.5632417794237843
Energy: 0.5542527195743452
Energy: 0.5632417794237843
Energy: 0.5594612634393362
Energy: 0.5518787476656083
Energy: 0.5594612602115747
Energy: 0.5518787476656083
Energy: 0.5594612529001127
Energy: 0.5518787476656083
Energy: 0.6247993430024318
Energy: 0.6313006246893579
Energy: 0.6247993430024318
Energy: 0.6313006246893579
Energy: 0.6247993430024318
Energy: 0.6313006246893579
Energy: 0.5591310962125284
Energy: 0.5873984610087397
Energy: 0.5591310962125284
Energy: 0.5873984610087397
Energy: 0.5591310962125284
Energy: 0.5873984610087397
Energy: 0.6758598665631371
Energy: 0.595697122194416
Energy: 0.6758598665631371
Energy: 0.595697122195163
Energy: 0.6758598665631371
Energy: 0.595697122195163
Energy: 0.5590482890950065
Energy: 0.5956704306028423
Energy: 0.5590482890950065
Energy: 0.5956704306020951
Energy: 0.5590482890950065
Energy: 0.5956704306020951
Energy: 0.5593277395805695
Energy: 0.7265400997822724
Energy: 0.5593277395813165
Energy: 0.7265400997822724
Energy: 0.5593277395805695
Energy: 0.7265400997822724
Energy: 0.566639114127679
Energy: 0.5979243009546072
Energy: 0.5666391141269319
Energy: 0.5979243009546072
Energy: 0.5666391141246904
Energy: 0.5979243009546072
Energy: 0.5651998383207143
Energy: 0.5611514312706004
Energy: 0.5651998383207143
Energy: 0.5611514312706004
Energy: 0.5651998383207143
Energy: 0.5611514312706004
Energy: 0.6193610803236695
Energy: 0.5710075892470127
Energy: 0.6193610803236695
Energy: 0.5710075892470127
Energy: 0.6193610803229225
Energy: 0.5710075892470127
Energy: 0.6020331969577739
Energy: 0.5964814171351808
Energy: 0.6020331969577739
Energy: 0.5964814171351808
Energy: 0.6020331969577739
Energy: 0.5964814171351808
Energy: 0.5772812486293972
Energy: 0.5526967404321574
Energy: 0.5772812486293972
Energy: 0.5526967404321574
Energy: 0.5772812486279029
Energy: 0.5526967404321574
Energy: 0.5890801058086329
Energy: 0.6081728417149533
Energy: 0.5890801058086329
Energy: 0.6081728417149533
Energy: 0.5890801058086329
Energy: 0.6081728417149533
Energy: 0.7275360611702145
Energy: 0.5590830048022474
Energy: 0.7275360611702145
Energy: 0.5590830048022474
Energy: 0.7275360611702145
Energy: 0.5590830048015003
Energy: 0.6153682399823986
Energy: 0.5627255367404982
Energy: 0.6153682399823986
Energy: 0.5627255367404982
Energy: 0.6153682399823986
Energy: 0.5627255367404982
Energy: 0.6056630564639542
Energy: 0.6321767517657471
Energy: 0.6056630564639542
Energy: 0.6321767511257373
Energy: 0.6056630564639542
Energy: 0.6321767497074933
Energy: 0.6668020771347906
Energy: 0.5587006915632668
Energy: 0.6668020771347906
Energy: 0.5587006915632668
Energy: 0.5579372008223592
Energy: 0.5587006915632668

minimum gb energy = 0.5096032660130139 eV
minimum distance =  2.42515509457757 Angstroms
sigma value = 33


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

Energy: 0.691285190130413
Energy: 0.6322229169574913
Energy: 0.691285190130413
Energy: 0.6322229169574913
Energy: 0.691285190130413
Energy: 0.6322229169574913
Energy: 0.6331965119543072
Energy: 0.6496284761514098
Energy: 0.6331965119543072
Energy: 0.6496284761514098
Energy: 0.6331965119543072
Energy: 0.6496284761514098
Energy: 0.6757172174279246
Energy: 0.6441030269580192
Energy: 0.6757172174279246
Energy: 0.6441030269575452
Energy: 0.6757172174279246
Energy: 0.6441030269575452
Energy: 0.6716140581135999
Energy: 0.666771411177854
Energy: 0.6716140581135999
Energy: 0.666771411177854
Energy: 0.6716140581135999
Energy: 0.666771411177854
Energy: 0.651727329284586
Energy: 0.6499584528933535
Energy: 0.651727329284586
Energy: 0.6499584528928795
Energy: 0.651727329284586
Energy: 0.6499584528933535
Energy: 0.7174599111929718
Energy: 0.7210353517464179
Energy: 0.7174599111962896
Energy: 0.7210353517464179
Energy: 0.7174599111958156
Energy: 0.7210353517464179
Energy: 0.6322624566849468
Energy: 0.6398257565419536
Energy: 0.6322624566849468
Energy: 0.6398257565419536
Energy: 0.6322624566849468
Energy: 0.6398257565419536
Energy: 0.6947232228460937
Energy: 0.681837820312493
Energy: 0.6947232228460937
Energy: 0.681837820312493
Energy: 0.6947232228460937
Energy: 0.681837820312493
Energy: 0.6527131893629782
Energy: 0.6923672469451408
Energy: 0.6527131893629782
Energy: 0.6923672469456148
Energy: 0.6527131893629782
Energy: 0.6923672469456148
Energy: 0.6813788360783766
Energy: 0.8688567171667668
Energy: 0.6813788360783766
Energy: 0.8688567171667668
Energy: 0.6813788360783766
Energy: 0.8688567171667668
Energy: 0.6820216942084117
Energy: 0.6553409091052183
Energy: 0.6820216942079378
Energy: 0.6553409091052183
Energy: 0.6820216942079378
Energy: 0.6553409091052183
Energy: 0.6362914506857232
Energy: 0.6469023621830103
Energy: 0.6362914506857232
Energy: 0.6469023621830103
Energy: 0.6362914506857232
Energy: 0.6469023621830103
Energy: 0.6614511248592294
Energy: 0.6284669298456449
Energy: 0.6614511248592294
Energy: 0.6284669298456449
Energy: 0.6614511248592294
Energy: 0.6284669298456449
Energy: 0.661046125945946
Energy: 0.6652010780365862
Energy: 0.661046125945946
Energy: 0.6652010780365862
Energy: 0.661046125945946
Energy: 0.6652010780365862
Energy: 0.644378478624299
Energy: 0.6494137755087994
Energy: 0.644378478624299
Energy: 0.6494137755087994
Energy: 0.644378478624299
Energy: 0.6494137755087994
Energy: 0.6722393666240927
Energy: 0.682107696721919
Energy: 0.6722393666236186
Energy: 0.6821076967290286
Energy: 0.6722393666236186
Energy: 0.6821076964911967
Energy: 0.8391653290058589
Energy: 0.659935576953314
Energy: 0.8391653290058589
Energy: 0.659935576953314
Energy: 0.8391653290058589
Energy: 0.659935576953314
Energy: 0.6874124359497353
Energy: 0.6901668453891608
Energy: 0.6874124359758044
Energy: 0.6901668432718767
Energy: 0.6874124359791007
Energy: 0.6901668392746452
Energy: 0.6249149008378325
Energy: 0.6932089934481929
Energy: 0.6249149008378325
Energy: 0.6932089934481929
Energy: 0.6249149008378325
Energy: 0.6932089934481929
Energy: 0.8208001810823177
Energy: 0.7108074637666887
Energy: 0.8208001810823177
Energy: 0.7108074637671626
Energy: 0.8208001810823177
Energy: 0.7108074637666887
Energy: 0.6704194324304413
Energy: 0.6876047354654444
Energy: 0.6704194324304413
Energy: 0.6876047354654444
Energy: 0.6704194324304413
Energy: 0.6876047354654444
Energy: 0.6552576178704538
Energy: 0.6391877615093576
Energy: 0.6552576178704538
Energy: 0.6391877615098317
Energy: 0.6552576178704538
Energy: 0.6391877615093576
Energy: 0.6727342771888819
Energy: 0.6557051709562959
Energy: 0.6727342771884078
Energy: 0.6557051709562959
Energy: 0.6727342771884078
Energy: 0.6557051709562959
Energy: 0.6633518449334662
Energy: 0.6421352599284952
Energy: 0.6633518449334662
Energy: 0.6421352599284952
Energy: 0.6633518449334662
Energy: 0.6421352599284952
Energy: 0.6334691612734661
Energy: 0.6432790502463909
Energy: 0.6334691612734661
Energy: 0.6432790502463909
Energy: 0.6334691612734661
Energy: 0.6432790502463909
Energy: 0.6733614025241313
Energy: 0.6755885448386868
Energy: 0.6733614025094379
Energy: 0.6755885448386868
Energy: 0.6733614024729626
Energy: 0.6755885448386868
Energy: 0.6320201306722566
Energy: 0.6401866215414889
Energy: 0.6320201306722566
Energy: 0.6401866215414889
Energy: 0.6320201306722566
Energy: 0.6401866215414889
Energy: 0.6697393821602753
Energy: 0.7634764149579578
Energy: 0.6697393821598013
Energy: 0.737909057247014
Energy: 0.6697393821602753
Energy: 0.737909057247488
Energy: 0.6556740325931959
Energy: 0.7093852311284057
Energy: 0.6556740325931959
Energy: 0.7093852311288797
Energy: 0.6556740325931959
Energy: 0.7093852311284057
Energy: 0.6377174003399685
Energy: 0.6382249080945763
Energy: 0.6377174003404424
Energy: 0.6382249080950503
Energy: 0.6377174003399685
Energy: 0.6382249080950503
Energy: 0.7183700353263512
Energy: 0.7154117057168423
Energy: 0.7183700353263512
Energy: 0.7154117057168423
Energy: 0.7183700353263512
Energy: 0.7154117057168423
Energy: 0.6532651396336603
Energy: 0.6496756529599975
Energy: 0.6532651396336603
Energy: 0.6496756529599975
Energy: 0.6532651396336603
Energy: 0.6496756529599975
Energy: 0.673779000411307
Energy: 0.6800654171042977
Energy: 0.673779000411307
Energy: 0.6800471636010486
Energy: 0.673779000411307
Energy: 0.680017614884056
Energy: 0.6536281902915521
Energy: 0.6486022399566381
Energy: 0.6536281902915521
Energy: 0.6486022399566381
Energy: 0.6536281902915521
Energy: 0.6486022399566381
Energy: 0.641204054573403
Energy: 0.6441963149516747
Energy: 0.641204054573403
Energy: 0.6441963149521488
Energy: 0.641204054573403
Energy: 0.6441963149516747
Energy: 0.6723922840147932
Energy: 0.6337305693989684
Energy: 0.6723922840147932
Energy: 0.6337305693989684
Energy: 0.6723922840147932
Energy: 0.6337305693989684
Energy: 0.6375809883275456
Energy: 0.6457323895387093
Energy: 0.6375809883275456
Energy: 0.6457323895387093
Energy: 0.6375809883275456
Energy: 0.6457323895387093

minimum gb energy = 0.6249149008378325 eV
minimum distance =  2.41247535018691 Angstroms
sigma value = 41


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

Energy: 0.7983423343901123
Energy: 0.8667356657323019
Energy: 0.7983423343901123
Energy: 0.8667356657323019
Energy: 0.7983423343901123
Energy: 0.8667356657323019
Energy: 0.792542539992773
Energy: 0.7801480874851587
Energy: 0.792542539992773
Energy: 0.7801480874851587
Energy: 0.792542539992773
Energy: 0.7801480874851587
Energy: 0.8612829364516306
Energy: 0.777211721610858
Energy: 0.8612829364516306
Energy: 0.777211721610858
Energy: 0.8612829364516306
Energy: 0.777211721610858
Energy: 0.783971153759557
Energy: 0.8254275758371391
Energy: 0.783971153759557
Energy: 0.8254275758371391
Energy: 0.783971153759557
Energy: 0.8254275758371391
Energy: 0.8241946184021623
Energy: 0.8255977042351141
Energy: 0.8241946184021623
Energy: 0.8255977042351141
Energy: 0.8241946184021623
Energy: 0.8255977042351141
Energy: 0.8566799601332818
Energy: 0.838919813156926
Energy: 0.8566799601332818
Energy: 0.8389198131556319
Energy: 0.8566799601332818
Energy: 0.838919813156926
Energy: 0.8033442970078006
Energy: 0.7627061735191106
Energy: 0.8033442970078006
Energy: 0.7627061735191106
Energy: 0.8033442970078006
Energy: 0.7627061735191106
Energy: 0.7954621655960421
Energy: 0.7807264251554393
Energy: 0.7954621655960421
Energy: 0.7807264251554393
Energy: 0.7954621655960421
Energy: 0.7807264251554393
Energy: 0.7965182569819725
Energy: 0.7666547334719972
Energy: 0.7965182569819725
Energy: 0.7666547334719972
Energy: 0.7965182569819725
Energy: 0.7666547334719972
Energy: 0.790540479375977
Energy: 0.8340464372206754
Energy: 0.790540479375977
Energy: 0.8340464372206754
Energy: 0.790540479375977
Energy: 0.8340464372206754
Energy: 0.7655955418747057
Energy: 0.777868856699831
Energy: 0.7655955418747057
Energy: 0.777868856699831
Energy: 0.7655955418747057
Energy: 0.777868856699831
Energy: 0.791062462821734
Energy: 0.828106536242566
Energy: 0.791062462821734
Energy: 0.828106536242566
Energy: 0.791062462821734
Energy: 0.828106536242566
Energy: 0.8523531335639719
Energy: 0.8220408759684995
Energy: 0.8523531335652659
Energy: 0.8220408759684995
Energy: 0.8523531335652659
Energy: 0.8220408759684995
Energy: 0.7815375181637929
Energy: 0.7799906529773023
Energy: 0.7815375181624987
Energy: 0.7799906529773023
Energy: 0.7815375181624987
Energy: 0.7799906529773023

minimum gb energy = 0.7627061735191106 eV
minimum distance =  2.38894157377182 Angstroms
sigma value = 11


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

Energy: 0.9570751378641774
Energy: 1.0006883511080515
Energy: 0.9570751378641774
Energy: 1.0006883511080515
Energy: 0.9570751378641774
Energy: 1.0006883511080515
Energy: 0.9130403885338055
Energy: 0.942397320525849
Energy: 0.9130403885338055
Energy: 0.942397320525849
Energy: 0.9130403885338055
Energy: 0.942397320525849
Energy: 0.9588644721712444
Energy: 0.8857404098651218
Energy: 0.9588644721712444
Energy: 0.8857404098651218
Energy: 0.9588644721712444
Energy: 0.8857404098651218
Energy: 0.9184863022529941
Energy: 0.9202560569432435
Energy: 0.9184863022529941
Energy: 0.9202560569432435
Energy: 0.9184863022529941
Energy: 0.9202560569432435
Energy: 0.9739707523605995
Energy: 0.9322508256280818
Energy: 0.9739707523605995
Energy: 0.9322508256280818
Energy: 0.9739707523605995
Energy: 0.9322508256280818
Energy: 0.9564421993542482
Energy: 0.9423826279811914
Energy: 0.9564421993542482
Energy: 0.9423826279811914
Energy: 0.9564421993542482
Energy: 0.9423826279811914
Energy: 0.9330680563680157
Energy: 0.9493398154824891
Energy: 0.9330680563680157
Energy: 0.9493398154824891
Energy: 0.9330680563680157
Energy: 0.9493398154824891
Energy: 0.9082674727181778
Energy: 0.915479402055085
Energy: 0.9082674727181778
Energy: 0.915479402055085
Energy: 0.9082674727181778
Energy: 0.915479402055085
Energy: 0.9138142326255614
Energy: 0.9373237016678432
Energy: 0.9138142326255614
Energy: 0.9373237016684117
Energy: 0.9138142326255614
Energy: 0.9373237016678432
Energy: 0.9620308622434939
Energy: 0.9496057478330326
Energy: 0.9620308622434939
Energy: 0.9496057478330326
Energy: 0.9620308622434939
Energy: 0.9496057478330326
Energy: 0.9196989425817056
Energy: 0.9269359078648245
Energy: 0.9196989425817056
Energy: 0.9269359078648245
Energy: 0.9196989425817056
Energy: 0.9269359078648245
Energy: 0.9497445215278089
Energy: 0.9372776622235273
Energy: 0.9497445215278089
Energy: 0.9372776622235273
Energy: 0.9497445215278089
Energy: 0.9372776622235273
Energy: 0.9158412436253289
Energy: 0.9142860526567038
Energy: 0.9158412436253289
Energy: 0.9142860526567038
Energy: 0.9158412436253289
Energy: 0.9142860526567038
Energy: 0.9844773788633134
Energy: 0.9090547271545592
Energy: 0.984477378863882
Energy: 0.9090547271545592
Energy: 0.984477378863882
Energy: 0.9090547271545592
Energy: 0.9365808512558343
Energy: 0.9445936278845191
Energy: 0.9365808512558343
Energy: 0.9445936278839505
Energy: 0.9365808512558343
Energy: 0.9445936278839505
Energy: 0.9480311743792463
Energy: 0.9475290130136056
Energy: 0.9480311743792463
Energy: 0.8200137191902915
Energy: 0.9480311743792463
Energy: 0.820090839223716
Energy: 1.011944288082175
Energy: 0.9012827682406215
Energy: 1.011944288082175
Energy: 0.9012827682406215
Energy: 1.011944288082175
Energy: 0.9012827682406215
Energy: 0.915347928828244
Energy: 0.9225981325596843
Energy: 0.915347928828244
Energy: 0.9225981325596843
Energy: 0.915347928828244
Energy: 0.9225981325596843
Energy: 0.9371244902167652
Energy: 0.9130761069568465
Energy: 0.9371244902167652
Energy: 0.9130761069568465
Energy: 0.9371244902167652
Energy: 0.9130761069568465
Energy: 0.9486266211089932
Energy: 0.9469030515875587
Energy: 0.9486266141502078
Energy: 0.9469030515875587
Energy: 0.9486265935647701
Energy: 0.9469030515875587
Energy: 0.9200195101246725
Energy: 0.9222147291327155
Energy: 0.9200195101246725
Energy: 0.9222147291327155
Energy: 0.9200195101246725
Energy: 0.922214729132147
Energy: 0.8999423883602333
Energy: 0.9671791396143721
Energy: 0.8999423883602333
Energy: 0.9671791396143721
Energy: 0.8999423883602333
Energy: 0.9671791396143721
Energy: 0.9170319661156688
Energy: 0.9011757479527402
Energy: 0.9170319661156688
Energy: 0.9011757479527402
Energy: 0.9170319661156688
Energy: 0.9011757479527402
Energy: 0.9294929264541086
Energy: 0.9076646149348239
Energy: 0.9294929264546772
Energy: 0.9076646149348239
Energy: 0.9294929264546772
Energy: 0.9076646149348239
Energy: 0.965564724658036
Energy: 1.0362675876591148
Energy: 0.965564724658036
Energy: 1.0362675876591148
Energy: 0.965564724658036
Energy: 1.0362675876591148
Energy: 0.9202892408139396
Energy: 0.9286177618825645
Energy: 0.9202892408139396
Energy: 0.9286177618825645
Energy: 0.9202892408139396
Energy: 0.9286177618825645
Energy: 0.9122949359295474
Energy: 0.9464808299035622
Energy: 0.9122949359295474
Energy: 0.9464808299035622
Energy: 0.9122949359295474
Energy: 0.9464808299035622
Energy: 0.885694693521331
Energy: 0.894774753616827
Energy: 0.885694693521331
Energy: 0.894774753616827
Energy: 0.885694693521331
Energy: 0.894774753616827
Energy: 0.9345023175141305
Energy: 0.9022654004828733
Energy: 0.9345023175141305
Energy: 0.9022654004823049
Energy: 0.9345023175141305
Energy: 0.9022654004828733
Energy: 0.9251754938039982
Energy: 0.9152706334793063
Energy: 0.9251754938039982
Energy: 0.9152706334793063
Energy: 0.9251754938039982
Energy: 0.9152706334793063
Energy: 0.936554360268693
Energy: 0.9698434199606817
Energy: 0.936554360268693
Energy: 0.9698434199606817
Energy: 0.936554360268693
Energy: 0.9698434199606817

minimum gb energy = 0.8200137191902915 eV
minimum distance =  2.352109042062 Angstroms
sigma value = 57


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

Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 1.0203974212310156
Energy: 0.9585788165828578
Energy: 1.0203974212320273
Energy: 0.9585788165828578
Energy: 1.0203974212320273
Energy: 0.9585788165828578
Energy: 0.9829081634962702
Energy: 0.9532529780634568
Energy: 0.9829081634962702
Energy: 0.9532529780634568
Energy: 0.9829081634962702
Energy: 0.9616209960197049
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 0.9409523881311521
Energy: 0.9597081046840006
Energy: 0.9409523881311521
Energy: 0.9597081046840006
Energy: 0.9409523881311521
Energy: 0.9597081046840006
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 1.0203974212320273
Energy: 0.9585788165828578
Energy: 1.0203974212310156
Energy: 0.9585788165828578
Energy: 1.0203974212320273
Energy: 0.9585788165828578
Energy: 0.9829081634962702
Energy: 0.9934868988015744
Energy: 0.9829081634962702
Energy: 0.9934868988015744
Energy: 0.9829081634962702
Energy: 0.987830257144356
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 0.9409523881311521
Energy: 0.9597081046840006
Energy: 0.9409523881311521
Energy: 0.9597081046840006
Energy: 0.9409523881311521
Energy: 0.9597081046840006
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9724754976201163
Energy: 0.9716056212481046
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 0.9411114353725283
Energy: 0.9360590004766193
Energy: 0.9411114353715168
Energy: 0.9360590004766193
Energy: 1.0203974212310156
Energy: 0.9585788165828578
Energy: 1.0203974212320273
Energy: 0.9585788165828578
Energy: 1.0203974212320273
Energy: 0.9585788165828578
Energy: 0.9829081634962702
Energy: 0.9934868988015744
Energy: 0.9829081634962702
Energy: 0.9934868988015744
Energy: 0.9829081634962702
Energy: 0.9830200671554106
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 1.0201991103747332
Energy: 0.9586083058056881
Energy: 1.0201991103747332
Energy: 0.9586083058056881

minimum gb energy = 0.9360590004766193 eV
minimum distance =  2.35976863522999 Angstroms
sigma value = 9


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

Energy: 1.0614910062658702
Energy: 1.0411002116930077
Energy: 1.0614910062658702
Energy: 1.0411002116930077
Energy: 1.0614910062658702
Energy: 1.0411002116930077
Energy: 1.0125635417421661
Energy: 0.9738472632292781
Energy: 1.0125635417421661
Energy: 0.9738472632292781
Energy: 1.0125635417421661
Energy: 0.9738472632292781
Energy: 0.9955743882245488
Energy: 0.9996331465420536
Energy: 0.9955743882245488
Energy: 0.9996331465420536
Energy: 0.9955743882245488
Energy: 0.9996331465420536
Energy: 0.9555526994633405
Energy: 1.0748988901355052
Energy: 0.9555526994633405
Energy: 1.0748988901355052
Energy: 0.9555526994633405
Energy: 1.0748988901355052
Energy: 0.9909695743862748
Energy: 0.9786794868130987
Energy: 0.9909695743862748
Energy: 0.9786794868130987
Energy: 0.9909695743862748
Energy: 0.9786794868130987
Energy: 0.9778231616682371
Energy: 0.9941525816646061
Energy: 0.9778231616682371
Energy: 0.9941525816646061
Energy: 0.9778231616682371
Energy: 0.9941525816646061
Energy: 0.9900499617009104
Energy: 1.0062316675491034
Energy: 0.9900499617009104
Energy: 1.0062316675491034
Energy: 0.9900499617009104
Energy: 1.0062316675491034
Energy: 0.9581392046341463
Energy: 1.0365891494809774
Energy: 0.9581392046341463
Energy: 1.0365891494809774
Energy: 0.9581392046341463
Energy: 1.0365891494809774
Energy: 1.0399933840764048
Energy: 0.9799609786434471
Energy: 1.0399933840764048
Energy: 0.9799609786434471
Energy: 1.0399933840764048
Energy: 0.9799609786434471
Energy: 0.9801478549709042
Energy: 1.0285483186501594
Energy: 0.9801478549709042
Energy: 1.0285483186501594
Energy: 0.9801478549709042
Energy: 1.0285483186501594
Energy: 0.9807445095479445
Energy: 1.0098841599602721
Energy: 0.9807445095479445
Energy: 1.0098841599602721
Energy: 0.9807445095479445
Energy: 1.0098841599602721
Energy: 1.054619583776256
Energy: 1.000710485126737
Energy: 1.054619583776256
Energy: 1.000710485126737
Energy: 1.054619583776256
Energy: 1.000710485126737
Energy: 0.9791426832724017
Energy: 1.042311726349136
Energy: 0.9791426832724017
Energy: 1.042311726349136
Energy: 0.9791426832724017
Energy: 1.042311726349136
Energy: 1.0038483291362454
Energy: 0.9859834114812884
Energy: 1.0038483291362454
Energy: 0.9859834114812884
Energy: 1.0038483291362454
Energy: 0.9859834114812884
Energy: 1.0072859112188393
Energy: 0.9883180286006757
Energy: 1.0072859112188393
Energy: 0.9883180286006757
Energy: 1.0072859112188393
Energy: 0.9883180286006757
Energy: 1.0632755328511232
Energy: 1.0208188064456216
Energy: 1.0632755328511232
Energy: 1.0208188064456216
Energy: 1.0632755328511232
Energy: 1.0208188064456216
Energy: 0.9721583064375129
Energy: 1.008837188492137
Energy: 0.9721583064375129
Energy: 1.008837188492137
Energy: 0.9721583064375129
Energy: 1.008837188492137
Energy: 1.0982348146858871
Energy: 0.9809059040382964
Energy: 1.0982348146858871
Energy: 0.9809059040382964
Energy: 1.0982348146858871
Energy: 0.9809059040382964
Energy: 0.992114177079496
Energy: 0.9871950685046118
Energy: 0.992114177079496
Energy: 0.9871950685046118
Energy: 0.992114177079496
Energy: 0.9871950685046118
Energy: 0.9804322100053847
Energy: 1.0032249728711387
Energy: 0.9804322100053847
Energy: 1.0032249728711387
Energy: 0.9804322100053847
Energy: 1.0032249728711387
Energy: 1.0606572264720866
Energy: 1.0000484396090983
Energy: 1.0606572264720866
Energy: 1.0000484396090983
Energy: 1.0606572264720866
Energy: 1.0000484396090983

minimum gb energy = 0.9555526994633405 eV
minimum distance =  2.35738681370152 Angstroms
sigma value = 27


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

Energy: 1.051548625198552
Energy: 0.8916029900170217
Energy: 1.051548625198552
Energy: 0.891898760968412
Energy: 1.051548625198552
Energy: 0.892455359442343
Energy: 1.049969967038732
Energy: 0.9340179580811471
Energy: 1.049969967038732
Energy: 0.9340179580811471
Energy: 1.049969967038732
Energy: 0.9340179580811471
Energy: 0.9752344934102039
Energy: 0.9548883600923693
Energy: 0.9752344934095075
Energy: 0.9548883600923693
Energy: 0.9752344934102039
Energy: 0.9548883600923693
Energy: 0.9654983563291152
Energy: 0.9299223722885416
Energy: 0.9654983563291152
Energy: 0.9299223722885416
Energy: 0.9654983563291152
Energy: 0.9299223722885416
Energy: 0.9834109676525989
Energy: 0.9806397611507024
Energy: 0.9834109676525989
Energy: 0.9806397611507024
Energy: 0.9834109676525989
Energy: 0.9806397611507024
Energy: 1.0229463883825158
Energy: 1.0286210351539142
Energy: 1.0229463608697476
Energy: 1.0286210351539142
Energy: 1.0229462377708087
Energy: 1.0286210351539142
Energy: 0.9889390808220587
Energy: 0.9977363596214669
Energy: 0.9889390808220587
Energy: 0.9977363596214669
Energy: 0.9889390808220587
Energy: 0.9977363596214669
Energy: 1.0139725298296807
Energy: 1.0221523104003867
Energy: 1.0139725298296807
Energy: 1.0221523104003867
Energy: 1.0139725298296807
Energy: 1.0221523104003867
Energy: 1.02437685617554
Energy: 0.9654328371089492
Energy: 1.0243768561762363
Energy: 0.9654328371082529
Energy: 1.02437685617554
Energy: 0.9654328371089492
Energy: 0.9810759123759897
Energy: 0.94103303756668
Energy: 0.9810759123759897
Energy: 0.94103303756668
Energy: 0.9810759123711157
Energy: 0.94103303756668
Energy: 1.03136094853732
Energy: 0.9331561085280305
Energy: 1.03136094853732
Energy: 0.9331561085273342
Energy: 1.03136094853732
Energy: 0.9331561085280305
Energy: 0.9762233043098438
Energy: 1.004595444697014
Energy: 0.9762233043098438
Energy: 1.004595444697014
Energy: 0.9762233043098438
Energy: 1.004595444697014
Energy: 1.058742521435431
Energy: 0.9319126630897209
Energy: 1.058742521435431
Energy: 0.9319126630897209
Energy: 1.058742521435431
Energy: 0.9319126630897209
Energy: 1.0202634382220575
Energy: 0.9838268557015329
Energy: 1.0202634382220575
Energy: 0.9838268557015329
Energy: 1.0202634382220575
Energy: 0.9838268557008366
Energy: 0.9491360678461302
Energy: 1.0212007776620617
Energy: 0.9491360678447377
Energy: 1.0212007776613654
Energy: 0.9491360678398638
Energy: 1.0212007776620617
Energy: 0.9297388232403274
Energy: 0.9806751603412619
Energy: 0.9297388232403274
Energy: 0.9806751603412619
Energy: 0.9297388232403274
Energy: 0.9806751603412619
Energy: 1.0012845382138083
Energy: 0.9829398282511195
Energy: 1.0012845382138083
Energy: 0.9829398282511195
Energy: 1.0012845382138083
Energy: 0.9829398282518157
Energy: 0.9356972571796011
Energy: 0.9545698690699908
Energy: 0.9356972571796011
Energy: 0.9545698690699908
Energy: 0.9356972571796011
Energy: 0.9545698690699908
Energy: 0.960937599825361
Energy: 0.9630573720516008
Energy: 0.960937599825361
Energy: 0.9630573720516008
Energy: 0.960937599825361
Energy: 0.9630573720516008
Energy: 1.0515486251992483
Energy: 0.8916012232322332
Energy: 1.051548625198552
Energy: 0.8919038972803832
Energy: 1.051548625198552
Energy: 0.8921513261556141
Energy: 1.049969967038732
Energy: 0.9340179580811471
Energy: 1.049969967038732
Energy: 0.9340179580811471
Energy: 1.049969967038732
Energy: 0.9340179580811471
Energy: 0.9752344934095075
Energy: 0.9548883600916731
Energy: 0.9752344934102039
Energy: 0.9548883600923693
Energy: 0.9752344934095075
Energy: 0.9548883600923693
Energy: 0.9654983563291152
Energy: 0.9299223722885416
Energy: 0.9654983563291152
Energy: 0.9299223722885416
Energy: 0.9654983563291152
Energy: 0.9299223722885416
Energy: 0.9834109676525989
Energy: 0.9806397611507024
Energy: 0.9834109676525989
Energy: 0.9806397611507024
Energy: 0.9834109676525989
Energy: 0.9806397611507024
Energy: 1.022946387865408
Energy: 1.0286210351539142
Energy: 1.0229463655744506
Energy: 1.0286210351539142
Energy: 1.0229462398468672
Energy: 1.0286210351539142

minimum gb energy = 0.8916012232322332 eV
minimum distance =  2.34392531349088 Angstroms
sigma value = 19


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

Energy: 0.987269754442073
Energy: 1.0607127094114173
Energy: 0.987269754441472
Energy: 1.0607127094114173
Energy: 0.987269754441472
Energy: 1.0607127094114173
Energy: 0.9479929356872061
Energy: 0.9384593991771979
Energy: 0.9479929356872061
Energy: 0.9384593991771979
Energy: 0.9479929356872061
Energy: 0.9384593991771979
Energy: 0.9371794544390696
Energy: 0.9541904279055085
Energy: 0.9371794544390696
Energy: 0.9541904279055085
Energy: 0.9371794544390696
Energy: 0.9541904279055085
Energy: 0.9405745328085442
Energy: 0.9651844137809871
Energy: 0.9405745328085442
Energy: 0.9651844137809871
Energy: 0.9405745328085442
Energy: 0.9651844137809871
Energy: 0.9208812383477456
Energy: 0.9385842868052858
Energy: 0.9208812383477456
Energy: 0.9385842868052858
Energy: 0.9208812383477456
Energy: 0.9385842868052858
Energy: 0.9605310844038438
Energy: 0.9708302897127629
Energy: 0.9605310844038438
Energy: 0.9708302897121617
Energy: 0.9605310844038438
Energy: 0.9708302897121617
Energy: 0.9337136536539438
Energy: 0.938895177424517
Energy: 0.9337136536539438
Energy: 0.9388951774239159
Energy: 0.9337136536539438
Energy: 0.938895177421512
Energy: 0.9315894998345855
Energy: 0.94481798135377
Energy: 0.9315894998345855
Energy: 0.94481798135377
Energy: 0.9315894998345855
Energy: 0.94481798135377
Energy: 0.9663951357719387
Energy: 0.9376714960676766
Energy: 0.9663951357286931
Energy: 0.9376714960676766
Energy: 0.9663951356193631
Energy: 0.9376714960676766
Energy: 0.937880319005076
Energy: 0.9228199380103771
Energy: 0.937880319005076
Energy: 0.9228199380103771
Energy: 0.937880319005076
Energy: 0.9228199380103771
Energy: 0.9466319789075697
Energy: 0.9762626302926786
Energy: 0.9466319789075697
Energy: 0.9762609374407966
Energy: 0.9466319789075697
Energy: 0.976257503153349
Energy: 0.9363440511571742
Energy: 0.930580551308329
Energy: 0.9363440511571742
Energy: 0.930580551308329
Energy: 0.9363440511571742
Energy: 0.930580551308329
Energy: 0.9212185318950213
Energy: 0.9748084863383927
Energy: 0.9212185318950213
Energy: 0.9748084863383927
Energy: 0.9212185318950213
Energy: 0.9748084863383927
Energy: 0.9574704969815887
Energy: 0.95136259816784
Energy: 0.9574704969815887
Energy: 0.95136259816784
Energy: 0.9574704969815887
Energy: 0.95136259816784
Energy: 0.9458114977305878
Energy: 0.9230741205091109
Energy: 0.9458114977305878
Energy: 0.9230741205091109
Energy: 0.9458114977305878
Energy: 0.9230741205091109
Energy: 0.9645838974271145
Energy: 0.9284287094805699
Energy: 0.9645838974265133
Energy: 0.9284287094805699
Energy: 0.9645838974229072
Energy: 0.9284287094805699
Energy: 0.948941552147839
Energy: 0.951439972302052
Energy: 0.948941552147839
Energy: 0.951439972302052
Energy: 0.948941552147839
Energy: 0.951439972302052
Energy: 0.9791167961594865
Energy: 0.9386704085708655
Energy: 0.9791167961594865
Energy: 0.9386704085714664
Energy: 0.9791167961594865
Energy: 0.9386704085714664
Energy: 0.9905899303573412
Energy: 0.9591338664289636
Energy: 0.9905899303573412
Energy: 0.9591338664289636
Energy: 0.9905899303573412
Energy: 0.9591338664289636
Energy: 0.9299555526652252
Energy: 0.958088244060124
Energy: 0.9299555526652252
Energy: 0.958088244060124
Energy: 0.9299555526652252
Energy: 0.958088244060124
Energy: 0.9186986185882161
Energy: 0.9609361011460089
Energy: 0.9186986185882161
Energy: 0.9609361011460089
Energy: 0.9186986185882161
Energy: 0.9609361011460089
Energy: 0.9823075856938058
Energy: 0.94221350658547
Energy: 0.9823073570696336
Energy: 0.94221350658547
Energy: 0.9823065780025386
Energy: 0.94221350658547
Energy: 0.9559811566556631
Energy: 0.9335052122093499
Energy: 0.9559811566556631
Energy: 0.9335052122093499
Energy: 0.9559811566556631
Energy: 0.9335052122093499
Energy: 0.9809583803460844
Energy: 0.978114872246195
Energy: 0.9809583803460844
Energy: 0.978114872246195
Energy: 0.9809583803454834
Energy: 0.9781148722455939
Energy: 0.9622257521819848
Energy: 0.9311903748788659
Energy: 0.9622257521819848
Energy: 0.9311903748788659
Energy: 0.9622257521819848
Energy: 0.9311903748788659
Energy: 0.9284960927027079
Energy: 0.9343750939586675
Energy: 0.9284960927027079
Energy: 0.9343750939586675
Energy: 0.9284960927027079
Energy: 0.9343750939586675
Energy: 0.9320822284146261
Energy: 0.9649606236405613
Energy: 0.9320822284146261
Energy: 0.9649606236405613
Energy: 0.9320822284146261
Energy: 0.9649606236405613
Energy: 0.9463504797258088
Energy: 0.9400973036248906
Energy: 0.9463504797258088
Energy: 0.9400973036248906
Energy: 0.9463504797258088
Energy: 0.9400973036248906
Energy: 0.9515176678869204
Energy: 0.944339405367557
Energy: 0.9515176678869204
Energy: 0.944339405367557
Energy: 0.9515176678869204
Energy: 0.944339405367557

minimum gb energy = 0.9186986185882161 eV
minimum distance =  2.32379121345642 Angstroms
sigma value = 101


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

Energy: 0.9226645114900066
Energy: 0.9255900575891646
Energy: 0.9226645114900066
Energy: 0.9255900575891646
Energy: 0.9226645114900066
Energy: 0.9255900575891646
Energy: 0.9154781250910787
Energy: 0.9008400567155616
Energy: 0.9154781250910787
Energy: 0.9008400567155616
Energy: 0.9154781250916072
Energy: 0.9008400567155616
Energy: 0.9118007119168781
Energy: 0.8954019971445554
Energy: 0.9118007119168781
Energy: 0.8954019971445554
Energy: 0.9118007119168781
Energy: 0.8954019971445554
Energy: 0.8882253485467204
Energy: 0.928230298815983
Energy: 0.8882253485467204
Energy: 0.928230298815983
Energy: 0.8882253485467204
Energy: 0.928230298815983
Energy: 0.8850610358880998
Energy: 0.9028707095490776
Energy: 0.8850610358880998
Energy: 0.9028707095490776
Energy: 0.8850610358880998
Energy: 0.9028707095490776
Energy: 0.9152713714890742
Energy: 0.9056979850686812
Energy: 0.9152713714890742
Energy: 0.9056979850686812
Energy: 0.9152713714890742
Energy: 0.9056979850686812
Energy: 0.8879822668525675
Energy: 0.9066991976370541
Energy: 0.8879822668525675
Energy: 0.9066991976370541
Energy: 0.8879822668525675
Energy: 0.9066991976370541
Energy: 0.9021117821036083
Energy: 0.9139139446051059
Energy: 0.90211178210308
Energy: 0.9139139446051059
Energy: 0.9021117821036083
Energy: 0.9139139446056344
Energy: 0.9394133272781336
Energy: 0.8876505681314109
Energy: 0.9394133272781336
Energy: 0.8876505681314109
Energy: 0.9394133272781336
Energy: 0.8876505681314109
Energy: 0.8971331136560844
Energy: 0.906954969084701
Energy: 0.897133113655556
Energy: 0.906954969084701
Energy: 0.897133113655556
Energy: 0.906954969084701
Energy: 0.8699313862205461
Energy: 1.0331034057958852
Energy: 0.8699313862205461
Energy: 1.0331034057816204
Energy: 0.8699313862205461
Energy: 1.033103405756285
Energy: 0.9260261885998924
Energy: 0.9017814034662577
Energy: 0.9260261885998924
Energy: 0.9017814034662577
Energy: 0.926026188599364
Energy: 0.9017814034662577
Energy: 0.910381218766184
Energy: 0.9027946128252957
Energy: 0.9103812187667124
Energy: 0.9027946128252957
Energy: 0.910381218766184
Energy: 0.9027946128252957
Energy: 0.9222192002550998
Energy: 0.9518254353167486
Energy: 0.9222192002550998
Energy: 0.9518254353162204
Energy: 0.9222192002550998
Energy: 0.9518254353167486
Energy: 0.9149259118454826
Energy: 0.9553460444661818
Energy: 0.9149259118454826
Energy: 0.9553460444661818
Energy: 0.9149259118454826
Energy: 0.9553460444661818
Energy: 0.9100498034446006
Energy: 0.8969486141578495
Energy: 0.9100498034446006
Energy: 0.8969486141578495
Energy: 0.9100498034446006
Energy: 0.8969486141578495
Energy: 0.8751980637854964
Energy: 0.9156844552788521
Energy: 0.8751980637854964
Energy: 0.9156844552793804
Energy: 0.8751980637854964
Energy: 0.9156844552788521
Energy: 0.8806082771843274
Energy: 0.9245570877901327
Energy: 0.8806082771843274
Energy: 0.9245570877901327
Energy: 0.8806082771843274
Energy: 0.9245570877901327
Energy: 0.9128173058761637
Energy: 0.8875892352984875
Energy: 0.9128173058766921
Energy: 0.8875892352984875
Energy: 0.9128173058761637
Energy: 0.8875892352984875
Energy: 0.8888282075732735
Energy: 0.9200015274580734
Energy: 0.8888282075732735
Energy: 0.9200015274580734
Energy: 0.8888282075732735
Energy: 0.9200015274580734
Energy: 0.8743969025711835
Energy: 1.0109668573725783
Energy: 0.8743969025711835
Energy: 1.0109668573725783
Energy: 0.8743969025711835
Energy: 1.0109668573725783
Energy: 0.9398447576638046
Energy: 0.8873499573829252
Energy: 0.939844757662748
Energy: 0.8873499573829252
Energy: 0.9398447576601303
Energy: 0.8873499573829252
Energy: 0.9370669806908432
Energy: 0.8837896558291864
Energy: 0.9370669806908432
Energy: 0.8837896558291864
Energy: 0.9370669806908432
Energy: 0.8837896558291864
Energy: 0.8881923321700845
Energy: 0.9323049836484419
Energy: 0.8881923321700845
Energy: 0.9320645614528654
Energy: 0.8881923321700845
Energy: 0.8239057746765039
Energy: 0.928190133511582
Energy: 0.8912984816933387
Energy: 0.928190133511582
Energy: 0.8912984816933387
Energy: 0.928190133511582
Energy: 0.8912984816933387
Energy: 0.9134070389933224
Energy: 0.8966908108212045
Energy: 0.9134070389933224
Energy: 0.8966908108212045
Energy: 0.9134070389933224
Energy: 0.8966908108212045
Energy: 0.922057245726493
Energy: 0.9243043360249104
Energy: 0.9220572457270212
Energy: 0.9243043360249104
Energy: 0.922057245726493
Energy: 0.9243043360249104
Energy: 0.9154804212217831
Energy: 0.8894651015126899
Energy: 0.9154804212212548
Energy: 0.8894651015126899
Energy: 0.9154804212212548
Energy: 0.8894651015126899
Energy: 0.9732909689853241
Energy: 0.8762658680474363
Energy: 0.8440835757991103
Energy: 0.8762658680474363
Energy: 0.8252657027917782
Energy: 0.8762658680474363
Energy: 0.8807687773219015
Energy: 0.9091281260329088
Energy: 0.8807687773219015
Energy: 0.9091281260329088
Energy: 0.8807687773219015
Energy: 0.9091281260329088
Energy: 0.8754003381321238
Energy: 0.928790382643166
Energy: 0.8754003381321238
Energy: 0.928790382643166
Energy: 0.8754003381321238
Energy: 0.928790382643166
Energy: 0.9256602606345484
Energy: 0.8873548463171396
Energy: 0.9256602606340203
Energy: 0.8873548463171396
Energy: 0.9256602606340203
Energy: 0.8873548463171396
Energy: 0.9398376082368478
Energy: 0.8862767454480048
Energy: 0.9398376082368478
Energy: 0.8862767454474767
Energy: 0.9398376082368478
Energy: 0.8862767454474767

minimum gb energy = 0.8239057746765039 eV
minimum distance =  2.33624796460524 Angstroms
sigma value = 33


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

Energy: 0.011116426374463728
Energy: 0.6596769399134799
Energy: 0.011116426374463728
Energy: 0.6596769399130652
Energy: 0.011116426374463728
Energy: 0.6596769399134799
Energy: 0.011741191368902872
Energy: 0.20462714949764144
Energy: 0.011741191369317451
Energy: 0.204627149498056
Energy: 0.011741191369317451
Energy: 0.204627149498056
Energy: 0.6599849950504477
Energy: 0.20524765213451632
Energy: 0.6599812356224247
Energy: 0.20524765213451632
Energy: 0.6599633727730435
Energy: 0.20524765213410176
Energy: 0.011741191369317451
Energy: 0.20462714949764144
Energy: 0.011741191369317451
Energy: 0.20462714949764144
Energy: 0.011741191369317451
Energy: 0.20462714949764144

minimum gb energy = 0.011116426374463728 eV
minimum distance =  2.55066734858425 Angstroms
sigma value = 1