Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.066269248723984
cohesive_energy=3.355673813773726
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: -0.20329591813803935
Energy: 0.35818374782599244
Energy: -0.2032959181382872
Energy: 0.35818374782648815
Energy: -0.20329591813781905
Energy: 0.358183747826736
Energy: 0.3581837478262403
Energy: 0.3282317517708364
Energy: 0.3581837478262403
Energy: 0.37085508191870037
Energy: 0.358183747826736
Energy: 0.2575735606846759
Energy: -0.20329591813878292
Energy: 0.3581837478262403
Energy: -0.20329591813803935
Energy: 0.35818374782648815
Energy: -0.20329591813757117
Energy: 0.35818374782695633
Energy: 0.35818374782599244
Energy: 0.37085508191941635
Energy: 0.358183747826736
Energy: 0.2575735606851716
Energy: 0.3581837478257445
Energy: 0.25757356068541953
Energy: -0.2032959181382872
Energy: 0.358183747826736
Energy: -0.20329591813803935
Energy: 0.358183747826736
Energy: -0.2032959181404629
Energy: 0.3581837478262403
Energy: 0.35818374782599244
Energy: 0.25757356068588777
Energy: 0.3581837478262403
Energy: 0.2575735606846759
Energy: 0.35818374782648815
Energy: 0.2575735606849238

minimum gb energy = -0.2032959181404629 eV
minimum distance =  2.57676306865564 Angstroms
sigma value = 1


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

Energy: 0.367211019743412
Energy: 0.40545077030610505
Energy: 0.3672110197446053
Energy: 0.4054507703037184
Energy: 0.3672110197463952
Energy: 0.4054507703049117
Energy: 0.3949774473287393
Energy: 0.2517887069129206
Energy: 0.39497744732814266
Energy: 0.25178870691351724
Energy: 0.3949774473275461
Energy: 0.2517887069146834
Energy: 0.2478245624137153
Energy: 0.42797917002630625
Energy: 0.24782456241252204
Energy: 0.4279791700269029
Energy: 0.2478245624119254
Energy: 0.4279791700304827
Energy: 0.4122567078540792
Energy: 0.2772507388370077
Energy: 0.41225670785169266
Energy: 0.2772507388376043
Energy: 0.4122567078528859
Energy: 0.2772507388387976
Energy: 0.23951599332055257
Energy: 0.34731155400721414
Energy: 0.2395159933193593
Energy: 0.3473115540078107
Energy: 0.23951599331816606
Energy: 0.34731155400721414
Energy: 0.3127262879836545
Energy: 0.2656415136723556
Energy: 0.31272628798663765
Energy: 0.26564151367414557
Energy: 0.312726287986041
Energy: 0.26564151367175903
Energy: 0.22990142672672859
Energy: 0.26287641246760884
Energy: 0.22990142672971176
Energy: 0.262876412470592
Energy: 0.22990142672971176
Energy: 0.2628764124699953
Energy: 0.23557247807967707
Energy: 0.4207865171347866
Energy: 0.23557247807967707
Energy: 0.4207865171365765
Energy: 0.23557247807848378
Energy: 0.4207865171347866
Energy: 0.3252818200170427
Energy: 0.26522333106903123
Energy: 0.3252818200176393
Energy: 0.26522333106783796
Energy: 0.3252818200170427
Energy: 0.26522333106783796
Energy: 0.20988861586311638
Energy: 0.4072552923884268
Energy: 0.20988861586251975
Energy: 0.40725529239200664
Energy: 0.20988861586430962
Energy: 0.40725529238962005
Energy: 0.35120542815283046
Energy: 0.2305820009960939
Energy: 0.3512054281516372
Energy: 0.23058200099311074
Energy: 0.3512054281522338
Energy: 0.23058200099191747
Energy: 0.2169329011127318
Energy: 0.5153991108165855
Energy: 0.2169329011079587
Energy: 0.5153991108136025
Energy: 0.21693290111034527
Energy: 0.5153991108207621
Energy: 0.365328896301183
Energy: 0.2397349772763843
Energy: 0.3653288962993931
Energy: 0.23973497727698095
Energy: 0.3653288963017796
Energy: 0.23973497727519102
Energy: 0.2790935377343939
Energy: 0.3242666369790667
Energy: 0.2790935377343939
Energy: 0.32426663698264657
Energy: 0.27909353773200735
Energy: 0.3242666369790667
Energy: 0.42025763816106887
Energy: 0.21639053951149356
Energy: 0.4202576381598757
Energy: 0.2163905395126868
Energy: 0.4202576381580857
Energy: 0.21639053951149356
Energy: 0.3135711886566681
Energy: 0.37426856818102766
Energy: 0.31357118865786143
Energy: 0.3742685681798344
Energy: 0.31357118865845807
Energy: 0.37426856818162424
Energy: 0.24579471344501028
Energy: 0.2914195988010021
Energy: 0.2457947134456069
Energy: 0.2914195987992122
Energy: 0.2457947134468002
Energy: 0.29141959879980883
Energy: 0.24689217017329623
Energy: 0.2826725304944005
Energy: 0.24689217017448947
Energy: 0.2826725304932073
Energy: 0.24689217017508613
Energy: 0.2826725304973566
Energy: 0.28411659544353374
Energy: 0.27706032938006847
Energy: 0.28411659544293705
Energy: 0.2770603293794719
Energy: 0.28411659544353374
Energy: 0.2770603293812618
Energy: 0.3589701409656653
Energy: 0.2660996442558268
Energy: 0.3589701409656653
Energy: 0.26609964425702004
Energy: 0.3589701409656653
Energy: 0.2660996442564234
Energy: 0.2249378193486149
Energy: 0.48677826027390436
Energy: 0.22493781934801832
Energy: 0.48677826027509763
Energy: 0.22493781934682502
Energy: 0.48677826027509763
Energy: 0.34626207314978913
Energy: 0.26321167754216246
Energy: 0.3462620731485959
Energy: 0.26321167754395236
Energy: 0.3462620731479992
Energy: 0.26321167754395236
Energy: 0.1975271725286332
Energy: 0.4207836079162745
Energy: 0.19752717252982646
Energy: 0.4207836079156779
Energy: 0.1975271725304231
Energy: 0.4207836079180644

minimum gb energy = 0.1975271725286332 eV
minimum distance =  2.58868757057109 Angstroms
sigma value = 33


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

Energy: 0.3030484040153915
Energy: 0.3703118470035082
Energy: 0.3030484040143734
Energy: 0.37031184700791997
Energy: 0.3030484040150522
Energy: 0.37031184700282943
Energy: 0.4453064302221723
Energy: 0.29267692321442723
Energy: 0.4453064302235297
Energy: 0.2926769232232507
Energy: 0.44530643022183297
Energy: 0.2926769232242688
Energy: 0.35208651642253347
Energy: 0.40595509886851266
Energy: 0.3520865164218548
Energy: 0.40595509886647646
Energy: 0.3520865164272846
Energy: 0.40595509886511905
Energy: 0.33645498879314545
Energy: 0.33680787798086725
Energy: 0.33645498879653907
Energy: 0.3368078779822247
Energy: 0.3364549887948422
Energy: 0.33680787797815237
Energy: 0.31893879091387173
Energy: 0.45277036050803915
Energy: 0.3189387909162473
Energy: 0.45277036050769975
Energy: 0.31893879091760474
Energy: 0.45277036050803915
Energy: 0.37565935768066494
Energy: 0.352977682383895
Energy: 0.37565935768066494
Energy: 0.35297768238966426
Energy: 0.3756593576776107
Energy: 0.35297768238559185
Energy: 0.3446701484323116
Energy: 0.3426752395041127
Energy: 0.34467014842688176
Energy: 0.3426752395027553
Energy: 0.3446701484282392
Energy: 0.34267523949936163
Energy: 0.2515261032217207
Energy: 0.4301206774911204
Energy: 0.2515237318827598
Energy: 0.4301206774843331
Energy: 0.25074773942417494
Energy: 0.4301206774822969
Energy: 0.3860631167749741
Energy: 0.26861393166099384
Energy: 0.3860631167793858
Energy: 0.2686139317366414
Energy: 0.3860631167790465
Energy: 0.26861393188590016
Energy: 0.23560853412684668
Energy: 0.38606692543248805
Energy: 0.23560853412582863
Energy: 0.3860669254368998
Energy: 0.23560853413024035
Energy: 0.3860669254372392
Energy: 0.3869954818072864
Energy: 0.23731896396213645
Energy: 0.3869954818028747
Energy: 0.23731896396417265
Energy: 0.38699548179710547
Energy: 0.2373189639624758
Energy: 0.26771614728588966
Energy: 0.38668545780426483
Energy: 0.2677161472777449
Energy: 0.38668545780765845
Energy: 0.2677161472736725
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Energy: 0.4318758199314103
Energy: 0.2501970876342442
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Energy: 0.25019708761829407
Energy: 0.431875819932089
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Energy: 0.37020981292227595
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Energy: 0.3033019875315292
Energy: 0.37020981291582805
Energy: 0.42721963906445337
Energy: 0.3761186849160588
Energy: 0.4272198361227762
Energy: 0.37611868491571937
Energy: 0.427220156178788
Energy: 0.3761186849201312
Energy: 0.3523470505608024
Energy: 0.40546597662744577
Energy: 0.35234705056046306
Energy: 0.4054659766315182
Energy: 0.3523470505614811
Energy: 0.40546597662405215
Energy: 0.33841196015815095
Energy: 0.33419416641333954
Energy: 0.33841196015815095
Energy: 0.33419416641300015
Energy: 0.3384119601571328
Energy: 0.3341941664082491
Energy: 0.4077138598109517
Energy: 0.3529279248377661
Energy: 0.40771385981604225
Energy: 0.3529279248391235
Energy: 0.4077138598112911
Energy: 0.3529279248408203
Energy: 0.2934063859802322
Energy: 0.5127994370846235
Energy: 0.29340638597683855
Energy: 0.5127994370893746
Energy: 0.29340638598735885
Energy: 0.5127994370863203
Energy: 0.371757332628546
Energy: 0.30475075156571063
Energy: 0.37175733262684924
Energy: 0.30475075156604997
Energy: 0.37175733262314703
Energy: 0.30475075156604997
Energy: 0.25078214265133525
Energy: 0.43146448955001176
Energy: 0.2507821426516746
Energy: 0.4314644895561203
Energy: 0.2507821426615162
Energy: 0.43146448955510225
Energy: 0.5379901244290035
Energy: 0.2690135891145637
Energy: 0.5379901364466831
Energy: 0.26901358832520117
Energy: 0.5379902612079586
Energy: 0.2690135887905937
Energy: 0.23986297372564952
Energy: 0.3873343667724654
Energy: 0.2398629737225952
Energy: 0.38733436677993144
Energy: 0.23986297372123777
Energy: 0.3873343667741622
Energy: 0.3857738562991841
Energy: 0.28545291398724215
Energy: 0.38577385629477234
Energy: 0.2854529139790974
Energy: 0.38577385630088096
Energy: 0.2854529139899571
Energy: 0.3521203869847682
Energy: 0.37605096865771354
Energy: 0.3521203869783203
Energy: 0.3760509686637913
Energy: 0.35212038698307147
Energy: 0.37605096865904014
Energy: 0.3441356235690505
Energy: 0.35824738392317884
Energy: 0.34413562356192384
Energy: 0.3582473839180884
Energy: 0.34413562357040794
Energy: 0.3582473839248448
Energy: 0.34252572982291535
Energy: 0.3583327498215486
Energy: 0.3425257297829012
Energy: 0.35833274982222735
Energy: 0.34252572992876634
Energy: 0.35833274982222735
Energy: 0.35196914135653173
Energy: 0.3761265713608411
Energy: 0.3519691413561924
Energy: 0.3761265713591443
Energy: 0.3519691413494051
Energy: 0.37612657136219857
Energy: 0.38571865493038265
Energy: 0.28552161327431713
Energy: 0.38571865492359536
Energy: 0.28552161326311803
Energy: 0.38571865493038265
Energy: 0.2855216132634575
Energy: 0.23935291968787045
Energy: 0.3873242857905747
Energy: 0.23935291968753108
Energy: 0.38732428578819916
Energy: 0.23935291968719172
Energy: 0.38732428578921724
Energy: 0.5379109970211399
Energy: 0.2686224178811749
Energy: 0.5379109970140132
Energy: 0.26862241123493086
Energy: 0.5379109970112983
Energy: 0.2686224060551439
Energy: 0.250819660362707
Energy: 0.43070324775979
Energy: 0.250819660362707
Energy: 0.4307032477574145
Energy: 0.2508196603596527
Energy: 0.43070324775537827
Energy: 0.3717342452266269
Energy: 0.30466814162357087
Energy: 0.37173424522730564
Energy: 0.304668141624589
Energy: 0.371734245227645
Energy: 0.30466814162492833
Energy: 0.2933178990718506
Energy: 0.5128089149970244
Energy: 0.2933178990749048
Energy: 0.5128089149966851
Energy: 0.2933178990793166
Energy: 0.5128089150000789
Energy: 0.4077727757338087
Energy: 0.35294085532439123
Energy: 0.40777277573211185
Energy: 0.3529408553226944
Energy: 0.407772775734148
Energy: 0.35294085532337316
Energy: 0.3385261939451141
Energy: 0.33418421540542964
Energy: 0.3385261939447747
Energy: 0.33418421540984133
Energy: 0.3385261939437566
Energy: 0.33418421540407217
Energy: 0.3524982635366516
Energy: 0.4055379251268131
Energy: 0.352498263534276
Energy: 0.405537925130546
Energy: 0.35249826353461544
Energy: 0.40553792512952797
Energy: 0.4275856039506009
Energy: 0.3760300474406997
Energy: 0.4275828953154324
Energy: 0.3760300474434146
Energy: 0.42758323105364693
Energy: 0.37603004744477203
Energy: 0.3031489419237575
Energy: 0.37009978643558106
Energy: 0.3031489419217213
Energy: 0.3700997864338842
Energy: 0.3031489419152734
Energy: 0.3700997864345629
Energy: 0.43200580378386455
Energy: 0.2501627834148577
Energy: 0.43200580378488257
Energy: 0.2501627834701742
Energy: 0.4320058037869188
Energy: 0.2501627833996171
Energy: 0.26752721821978476
Energy: 0.38668331919235027
Energy: 0.2675272182262327
Energy: 0.3866833191909928
Energy: 0.2675272182262327
Energy: 0.386683319189296

minimum gb energy = 0.23560853412582863 eV
minimum distance =  2.57221389354546 Angstroms
sigma value = 51


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

Energy: 0.46720196934837643
Energy: 0.4697160548011627
Energy: 0.46720196934837643
Energy: 0.469716054801949
Energy: 0.4672019693491627
Energy: 0.469716054801949
Energy: 0.45533691320126074
Energy: 0.39066285602574213
Energy: 0.45533691320126074
Energy: 0.3906628560265285
Energy: 0.45533691320126074
Energy: 0.39066285602574213
Energy: 0.33630992378628227
Energy: 0.5417733650272251
Energy: 0.33630992378785485
Energy: 0.5417733650264387
Energy: 0.33630992378628227
Energy: 0.5417733650272251
Energy: 0.3703807809374065
Energy: 0.37200434255385606
Energy: 0.3703807809374065
Energy: 0.37200434255306974
Energy: 0.3703807809381929
Energy: 0.37200434255385606
Energy: 0.4379653095178648
Energy: 0.4032278500000683
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Energy: 0.4032278499984957
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Energy: 0.4032278500000683
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Energy: 0.4269146856100849
Energy: 0.5075197742510553
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Energy: 0.414315071273096
Energy: 0.3988905694678844
Energy: 0.414315071273096
Energy: 0.39889056946709817
Energy: 0.414315071273096
Energy: 0.39889056946709817
Energy: 0.35331485383093886
Energy: 0.4026666544793475
Energy: 0.35331485383251143
Energy: 0.4026666544793475
Energy: 0.3533148538317252
Energy: 0.4026666544801339
Energy: 0.4873231988932317
Energy: 0.373367371274074
Energy: 0.4873231988932317
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Energy: 0.4873231988932317
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Energy: 0.5072221987598525
Energy: 0.39528387154690325
Energy: 0.5072221987606389
Energy: 0.395283871546117
Energy: 0.5072221987590664
Energy: 0.5388591326751658
Energy: 0.359597284062675
Energy: 0.5388591326767384
Energy: 0.3595972840618886
Energy: 0.5388591326759521
Energy: 0.3595972840618886
Energy: 0.46887798078081283
Energy: 0.4199185589508022
Energy: 0.46887798078081283
Energy: 0.4199185589508022
Energy: 0.46887798078002646
Energy: 0.4199185589492296
Energy: 0.4726703479573832
Energy: 0.39177094808893687
Energy: 0.4726703479573832
Energy: 0.39177094808893687
Energy: 0.47267034795659696
Energy: 0.39177094808893687
Energy: 0.37526505248063546
Energy: 0.38199718031172686
Energy: 0.37526505248063546
Energy: 0.38199718030936797
Energy: 0.3752650524822081
Energy: 0.3819971803101542
Energy: 0.3644243835508431
Energy: 0.4139287248539246
Energy: 0.36442438354927037
Energy: 0.4139287248554972
Energy: 0.36442438354927037
Energy: 0.41392872485471094
Energy: 0.43901542412469885
Energy: 0.42703869474973283
Energy: 0.43901542412627137
Energy: 0.42703869475051914
Energy: 0.4390154241270577
Energy: 0.42703869475051914
Energy: 0.4797920275920335
Energy: 0.48591464639191884
Energy: 0.4797920275920335
Energy: 0.4859146463927051
Energy: 0.4797920275920335
Energy: 0.4859146463934914
Energy: 0.3959081681598925
Energy: 0.39959412252021304
Energy: 0.39590816815910623
Energy: 0.3995941225217857
Energy: 0.3959081681598925
Energy: 0.39959412252099935

minimum gb energy = 0.33630992378628227 eV
minimum distance =  2.46067176390018 Angstroms
sigma value = 19


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

Energy: 0.43280660376474483
Energy: 0.37819182523789996
Energy: 0.432806603763812
Energy: 0.3781918252374335
Energy: 0.4328066037642784
Energy: 0.37819182523650063
Energy: 0.39952028197029604
Energy: 0.4512488774067608
Energy: 0.39952028197029604
Energy: 0.4512488775191238
Energy: 0.3995202819754265
Energy: 0.4512488773433499
Energy: 0.3206443140498182
Energy: 0.4623043690563535
Energy: 0.32064431404935173
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Energy: 0.3206443140516626
Energy: 0.46230436905868555
Energy: 0.41519791798088224
Energy: 0.320811602884845
Energy: 0.41519791798088224
Energy: 0.3208116028820465
Energy: 0.41519791798274785
Energy: 0.320811602884845
Energy: 0.36197140690248264
Energy: 0.41491805792324166
Energy: 0.36197140689968416
Energy: 0.4149180579209095
Energy: 0.36197140690574753
Energy: 0.4149180579218424
Energy: 0.36196758649816796
Energy: 0.41489468141344205
Energy: 0.36196758649490307
Energy: 0.4148946814125093
Energy: 0.36196758649397026
Energy: 0.41489468141344205
Energy: 0.415498024257853
Energy: 0.32081657342498165
Energy: 0.4154980242583194
Energy: 0.32081657342638087
Energy: 0.4154980242560086
Energy: 0.32081657342591446
Energy: 0.3206190029830494
Energy: 0.4623265895794427
Energy: 0.3206190029830494
Energy: 0.46232658958130846
Energy: 0.3206190029835158
Energy: 0.4623265895794427
Energy: 0.3995195057371233
Energy: 0.4512301822947354
Energy: 0.39951950573248035
Energy: 0.451230182296601
Energy: 0.39951950573248035
Energy: 0.451230182296601
Energy: 0.43280660376474483
Energy: 0.3781918252374335
Energy: 0.4328066037652112
Energy: 0.37819182523696715
Energy: 0.4328066037624127
Energy: 0.37819182523650063
Energy: 0.3995202819698295
Energy: 0.45124887731491997
Energy: 0.39952028197029604
Energy: 0.45124887750233295
Energy: 0.3995202819716952
Energy: 0.45124887738903713
Energy: 0.3206443140516626
Energy: 0.46230436905775274
Energy: 0.32064431404935173
Energy: 0.46230436905775274
Energy: 0.32064431405072974
Energy: 0.4623043690558871
Energy: 0.4151979179804158
Energy: 0.3208116028834458
Energy: 0.41519791798274785
Energy: 0.3208116028839122
Energy: 0.41519791798274785
Energy: 0.32081160288437865
Energy: 0.36197140690248264
Energy: 0.41491805791764463
Energy: 0.3619714069038819
Energy: 0.4149180579223088
Energy: 0.3619714069001506
Energy: 0.4149180579195103
Energy: 0.36196758649303745
Energy: 0.4148946814120428
Energy: 0.36196758649723515
Energy: 0.41489468141344205
Energy: 0.3619675864935039
Energy: 0.41489468141344205
Energy: 0.41549802426018506
Energy: 0.32081657342684733
Energy: 0.41549802426018506
Energy: 0.3208165734273137
Energy: 0.4154980242592522
Energy: 0.3208165734245152
Energy: 0.3206190029844486
Energy: 0.4623265895803756
Energy: 0.3206190029812049
Energy: 0.4623265895817749
Energy: 0.3206190029830494
Energy: 0.4623265895794427
Energy: 0.3995195057347912
Energy: 0.451230182298933
Energy: 0.3995195057347912
Energy: 0.45123018229426887
Energy: 0.39951950573619044
Energy: 0.4512301822970674
Energy: 0.4328066037652112
Energy: 0.3781918252397655
Energy: 0.43280660376334557
Energy: 0.3781918252388327
Energy: 0.43280660376334557
Energy: 0.37819182523789996
Energy: 0.39952028196889683
Energy: 0.45124887750653064
Energy: 0.39952028196889683
Energy: 0.451248877392302
Energy: 0.39952028197029604
Energy: 0.4512488773368201
Energy: 0.32064431404935173
Energy: 0.4623043690558871
Energy: 0.3206443140484189
Energy: 0.46230436905821914
Energy: 0.3206443140484189
Energy: 0.4623043690563535
Energy: 0.4151979179841471
Energy: 0.32081160288577787
Energy: 0.41519791798461353
Energy: 0.3208116028834458
Energy: 0.4151979179818151
Energy: 0.32081160288158017
Energy: 0.36197140690294904
Energy: 0.41491805792137604
Energy: 0.36197140690248264
Energy: 0.41491805792137604
Energy: 0.36197140690294904
Energy: 0.4149180579218424
Energy: 0.36196758649583594
Energy: 0.41489468141390845
Energy: 0.36196758649583594
Energy: 0.41489468141344205
Energy: 0.3619675864967688
Energy: 0.41489468141390845
Energy: 0.41549802426205074
Energy: 0.32081657342591446
Energy: 0.4154980242597187
Energy: 0.3208165734287129
Energy: 0.4154980242625171
Energy: 0.3208165734273137
Energy: 0.3206190029844486
Energy: 0.4623265895808421
Energy: 0.3206190029830494
Energy: 0.46232658957851
Energy: 0.3206190029830494
Energy: 0.4623265895803756
Energy: 0.3995195057329468
Energy: 0.4512301823026643
Energy: 0.3995195057343248
Energy: 0.45123018229613454
Energy: 0.3995195057343248
Energy: 0.4512301822998659
Energy: 0.4328066037642784
Energy: 0.37819182523836636
Energy: 0.432806603763812
Energy: 0.3781918252397655
Energy: 0.432806603763812
Energy: 0.3781918252392992
Energy: 0.3995202819716952
Energy: 0.4512488774230852
Energy: 0.3995202819721616
Energy: 0.45124887737599884
Energy: 0.39952028196889683
Energy: 0.4512488773638721
Energy: 0.3206443140516626
Energy: 0.4623043690572864
Energy: 0.3206443140530618
Energy: 0.4623043690563535
Energy: 0.32064431405072974
Energy: 0.4623043690568199

minimum gb energy = 0.3206190029812049 eV
minimum distance =  2.48202309056981 Angstroms
sigma value = 27


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

Energy: 0.4225899864328048
Energy: 0.2970278991214987
Energy: 0.42258998643166235
Energy: 0.2970278991203562
Energy: 0.4225899864305199
Energy: 0.2970278991203562
Energy: 0.3591363738100063
Energy: 0.3491389251320492
Energy: 0.3591363738122912
Energy: 0.3491389251320492
Energy: 0.3591363738111487
Energy: 0.3491389251320492
Energy: 0.2788340833387004
Energy: 0.48006467984784634
Energy: 0.2788340833375578
Energy: 0.48006467984784634
Energy: 0.2788340833364154
Energy: 0.48006467984784634
Energy: 0.4093650415227925
Energy: 0.29499782697855104
Energy: 0.409365041523935
Energy: 0.29499782697855104
Energy: 0.40936504152507747
Energy: 0.2949978269796935
Energy: 0.46613097889472094
Energy: 0.29494897139306525
Energy: 0.4661309788958634
Energy: 0.29494897139306525
Energy: 0.4661309788958634
Energy: 0.2949489713942077
Energy: 0.39623585894340596
Energy: 0.4393887592397393
Energy: 0.3962358589456909
Energy: 0.4393887592408818
Energy: 0.3962358589456909
Energy: 0.4393887592408818
Energy: 0.29012015296105154
Energy: 0.3118193567007268
Energy: 0.3548899074192463
Energy: 0.3118193567007268
Energy: 0.3548899074203888
Energy: 0.3118193567018693
Energy: 0.4240600795055115
Energy: 0.29993102692787355
Energy: 0.4240600795055115
Energy: 0.29993102692787355
Energy: 0.424060079504369
Energy: 0.29993102692673107
Energy: 0.4162367016588758
Energy: 0.30555645360101485
Energy: 0.4162367016588758
Energy: 0.30555645360101485
Energy: 0.4162367016588758
Energy: 0.3055564535998724
Energy: 0.4357501038647783
Energy: 0.418768594382898
Energy: 0.43575010386820573
Energy: 0.418768594382898
Energy: 0.43575010386820573
Energy: 0.418768594382898
Energy: 0.2875835601235188
Energy: 0.3015395416368174
Energy: 0.3709537360490166
Energy: 0.3015395416368174
Energy: 0.3709537360478741
Energy: 0.3015395416368174
Energy: 0.4669057811787886
Energy: 0.41634258181023664
Energy: 0.46690578117764614
Energy: 0.41634258180909417
Energy: 0.46690578117764614
Energy: 0.41634258181023664

minimum gb energy = 0.2788340833364154 eV
minimum distance =  2.57902147194471 Angstroms
sigma value = 9


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

Energy: 0.4550113376384511
Energy: 0.3412565207144662
Energy: 0.455011337636525
Energy: 0.3412565207141452
Energy: 0.4550113376374881
Energy: 0.3412565207141452
Energy: 0.3875473207105317
Energy: 0.2684592307093457
Energy: 0.3875473207147048
Energy: 0.3025432754142734
Energy: 0.38754732071406284
Energy: 0.29000015403723417
Energy: 0.21940343244497867
Energy: 0.3785075067919044
Energy: 0.21940343244594165
Energy: 0.37850750679062045
Energy: 0.21940343244594165
Energy: 0.37850750678901535
Energy: 0.2505897047028385
Energy: 0.26373595311484965
Energy: 0.25058970470251746
Energy: 0.2637359531129236
Energy: 0.25058970470187547
Energy: 0.2637359531151706
Energy: 0.27845324766708357
Energy: 0.3085596357142432
Energy: 0.2784532476667626
Energy: 0.30855963571456413
Energy: 0.2784532476674046
Energy: 0.3085596357148852
Energy: 0.22977898275012973
Energy: 0.2325664279058004
Energy: 0.2297789827526978
Energy: 0.24538590779321168
Energy: 0.22977898275045075
Energy: 0.24538590779770578
Energy: 0.21506801586512375
Energy: 0.2136988399572145
Energy: 0.2150680158644817
Energy: 0.21369883996267164
Energy: 0.2150680158644817
Energy: 0.21369883995496744
Energy: 0.24285012241181328
Energy: 0.3121055123005823
Energy: 0.24285012241052928
Energy: 0.3121055123009033
Energy: 0.24285012240924525
Energy: 0.31210551229994027
Energy: 0.2993167707339171
Energy: 0.30846771123665295
Energy: 0.29931677071885887
Energy: 0.30846771123665295
Energy: 0.299316770720785
Energy: 0.3084677112347269
Energy: 0.19994224625742318
Energy: 0.2948002773408972
Energy: 0.19994224625934923
Energy: 0.2948002773412182
Energy: 0.19994224625710222
Energy: 0.2948002773421813
Energy: 0.1952634737747534
Energy: 0.26073783908713294
Energy: 0.19526347377667944
Energy: 0.26073783908873793
Energy: 0.19526347377603742
Energy: 0.26073783908584885
Energy: 0.25904344077040464
Energy: 0.23053841867521055
Energy: 0.25904344077136765
Energy: 0.2305384186774576
Energy: 0.25904344077136765
Energy: 0.23053841867842068
Energy: 0.26091438845581977
Energy: 0.22543576690760742
Energy: 0.2609143884580668
Energy: 0.22543576690600237
Energy: 0.26091438845389375
Energy: 0.2254357669069654
Energy: 0.34782611087576276
Energy: 0.37607788854620394
Energy: 0.3478261108770468
Energy: 0.37607788854652496
Energy: 0.3478261108767258
Energy: 0.3760778885455619
Energy: 0.24989376936160124
Energy: 0.3110571853745599
Energy: 0.2498937693651323
Energy: 0.31105718537552296
Energy: 0.24989376935903318
Energy: 0.3110571853735969
Energy: 0.34808035431034867
Energy: 0.22796493308139645
Energy: 0.3480803543113117
Energy: 0.22796493307947038
Energy: 0.3480803543113117
Energy: 0.2279649330762603
Energy: 0.3915911889755382
Energy: 0.27688882950764937
Energy: 0.39159118897232814
Energy: 0.2768888295050813
Energy: 0.3915911889720071
Energy: 0.2768888295047603
Energy: 0.22519412874316988
Energy: 0.27159779698268866
Energy: 0.22519412874252787
Energy: 0.2715977969830097
Energy: 0.22519412874381187
Energy: 0.27159779698365166
Energy: 0.21589755205106728
Energy: 0.38194284033688514
Energy: 0.2158975520507463
Energy: 0.38194284033498827
Energy: 0.21589755205106728
Energy: 0.38194284033752723
Energy: 0.25269327041983236
Energy: 0.299648025816102
Energy: 0.2526932704358827
Energy: 0.2996480258148179
Energy: 0.25269327042689455
Energy: 0.299648025816423
Energy: 0.216019668849996
Energy: 0.3817026526907727
Energy: 0.21601966885128004
Energy: 0.3817026526904517
Energy: 0.216019668850317
Energy: 0.38170265269205683
Energy: 0.2252672291017748
Energy: 0.27163477728867497
Energy: 0.2252672291033798
Energy: 0.27163477728931695
Energy: 0.2252672291033798
Energy: 0.27163477728771196
Energy: 0.3915648410215255
Energy: 0.2769418825926751
Energy: 0.3915648410202415
Energy: 0.2769418825929961
Energy: 0.3915648410202415
Energy: 0.2769418825981322
Energy: 0.3481502514574858
Energy: 0.21718252511473046
Energy: 0.3481502514587699
Energy: 0.2171825251160145
Energy: 0.34815025145652273
Energy: 0.21718252511729852
Energy: 0.250056927119885
Energy: 0.310652737733006
Energy: 0.25005692711956395
Energy: 0.310652737732685
Energy: 0.25005692712052696
Energy: 0.31065273773396906
Energy: 0.3475071615605622
Energy: 0.24988663000822417
Energy: 0.34750716156248823
Energy: 0.24988663001012099
Energy: 0.34750716155992023
Energy: 0.24988663000886616
Energy: 0.2611051164573335
Energy: 0.22551228557205755
Energy: 0.2611051164528394
Energy: 0.22551228557205755
Energy: 0.2611051164534814
Energy: 0.22551228557302055
Energy: 0.25905141159945694
Energy: 0.20212861470698495
Energy: 0.259051411599136
Energy: 0.20212861470794796
Energy: 0.25905141159945694
Energy: 0.20212861470634294
Energy: 0.19541386268960692
Energy: 0.260535862351414
Energy: 0.19541386269056993
Energy: 0.2605358623539821
Energy: 0.19541386269056993
Energy: 0.260535862351414
Energy: 0.19988478875381685
Energy: 0.2994333048011077
Energy: 0.19988478874771773
Energy: 0.29943330479950264
Energy: 0.19988478874418664
Energy: 0.29943330480014463
Energy: 0.2997274270345249
Energy: 0.3085931334500409
Energy: 0.2997274270290678
Energy: 0.30859313344939887
Energy: 0.29972742703645094
Energy: 0.30859313344939887
Energy: 0.24293452813947708
Energy: 0.31219647707672443
Energy: 0.24293452813819305
Energy: 0.31219647707704545
Energy: 0.24293452813819305
Energy: 0.3121964770789715
Energy: 0.21332657667636326
Energy: 0.22344789141297117
Energy: 0.21332657667636326
Energy: 0.22344789141136615
Energy: 0.2133265766750793
Energy: 0.22344789141265017
Energy: 0.229851162758132
Energy: 0.208807003391407
Energy: 0.22985116276163386
Energy: 0.2088070033869129
Energy: 0.229851162758774
Energy: 0.20880700339269104
Energy: 0.2784772950822306
Energy: 0.3085275787917664
Energy: 0.2784772950828726
Energy: 0.3085275787914455
Energy: 0.2784772950825516
Energy: 0.30852757879272946
Energy: 0.2504057247447954
Energy: 0.26372919521027793
Energy: 0.25040572474607936
Energy: 0.26372919521124094
Energy: 0.2504057247457584
Energy: 0.26372919521027793
Energy: 0.21954366934131872
Energy: 0.3785186392310575
Energy: 0.21954366934581285
Energy: 0.3785186392288104
Energy: 0.21954366934260278
Energy: 0.3785186392291315
Energy: 0.3876624544350359
Energy: 0.22259678034482916
Energy: 0.38766245443567793
Energy: 0.2225967803445081
Energy: 0.3876624544337519
Energy: 0.2225967803441871
Energy: 0.45501133763716706
Energy: 0.3412565207157503
Energy: 0.455011337636525
Energy: 0.34125652071607127
Energy: 0.45501133763492
Energy: 0.3412565207154292
Energy: 0.38754732071085274
Energy: 0.3023709559379228
Energy: 0.38754732070892667
Energy: 0.30237095593728075
Energy: 0.3875473207114948
Energy: 0.3023709559401698
Energy: 0.2194034324465837
Energy: 0.3785075067883734
Energy: 0.2194034324465837
Energy: 0.37850750678612627
Energy: 0.21940343244529964
Energy: 0.3785075067883734
Energy: 0.25058970470187547
Energy: 0.2637359531151706
Energy: 0.25058970470187547
Energy: 0.26373595311388665
Energy: 0.2505897047021965
Energy: 0.26373595311260256
Energy: 0.27845324766772567
Energy: 0.3085596357142432
Energy: 0.2784532476664416
Energy: 0.30855963571295913
Energy: 0.2784532476674046
Energy: 0.3085596357136012

minimum gb energy = 0.1952634737747534 eV
minimum distance =  2.51696509005132 Angstroms
sigma value = 57


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

Energy: 0.09373585801983551
Energy: 0.09701205824549924
Energy: 0.015649173912586863
Energy: 0.09701205824549924
Energy: 0.09373585801910478
Energy: 0.09701205824549924
Energy: 0.20173539580596347
Energy: 0.0926011386825155
Energy: 0.20173539580596347
Energy: 0.09260113868178475
Energy: 0.20173539580669422
Energy: 0.09260113868324624
Energy: 0.1378114920992397
Energy: 0.4411869193183237
Energy: 0.137811492098509
Energy: 0.441186919317593
Energy: 0.1378114920992397
Energy: 0.4411869193168622
Energy: 0.0986511705522675
Energy: 0.015686160989225366
Energy: 0.09865117055080606
Energy: 0.01568616099068682
Energy: 0.09865117055007533
Energy: 0.015686160988494634
Energy: 0.12072819079019385
Energy: 0.2016922933454562
Energy: 0.12072819078873241
Energy: 0.20169229334618693
Energy: 0.12072819078873241
Energy: 0.2016922933454562
Energy: 0.015842669713375435
Energy: 0.1400918101648776
Energy: 0.015842669712644707
Energy: 0.1400918101648776
Energy: 0.015842669713375435
Energy: 0.14009181016560834
Energy: 0.015789309163290625
Energy: 0.06289251005944646
Energy: 0.015789309164752078
Energy: 0.06289251005944646
Energy: 0.015789309164752078
Energy: 0.06289251005944646
Energy: 0.20163364752208132
Energy: 0.12043205917645478
Energy: 0.2016336475191584
Energy: 0.12043205917718551
Energy: 0.2016336475191584
Energy: 0.12043205917645478
Energy: 0.09871760542456356
Energy: 0.01571149812058712
Energy: 0.0987176054252943
Energy: 0.01571149812058712
Energy: 0.09871760542383284
Energy: 0.015711498121317852
Energy: 0.06053219928183537
Energy: 0.5626442152888922
Energy: 0.06053219928110465
Energy: 0.5626442152881614
Energy: 0.06053219928037392
Energy: 0.5626442152867001
Energy: 0.12045125356228106
Energy: 0.16461041763938314
Energy: 0.12045125356081962
Energy: 0.16461041763865245
Energy: 0.12045125356081962
Energy: 0.1646104176401139
Energy: 0.09373585801910478
Energy: 0.09701205824622997
Energy: 0.015649173911856138
Energy: 0.09701205824696069
Energy: 0.09373585801910478
Energy: 0.09701205824622997
Energy: 0.20173539580523278
Energy: 0.09260113868105405
Energy: 0.20173539580523278
Energy: 0.09260113868178475
Energy: 0.20173539580450203
Energy: 0.09260113868105405
Energy: 0.13781149210070118
Energy: 0.4411869193168622
Energy: 0.13781149209997046
Energy: 0.4411869193183237
Energy: 0.13781149209997046
Energy: 0.441186919317593
Energy: 0.09865117054934461
Energy: 0.015686160989225366
Energy: 0.09865117054934461
Energy: 0.01568616098776391
Energy: 0.09865117054861389
Energy: 0.015686160988494634
Energy: 0.12072819078654023
Energy: 0.20169229334764835
Energy: 0.12072819078873241
Energy: 0.2016922933454562
Energy: 0.12072819078800168
Energy: 0.2016922933454562
Energy: 0.01584266971118325
Energy: 0.1400918101648776
Energy: 0.01584266971191398
Energy: 0.1400918101648776
Energy: 0.01584266971118325
Energy: 0.14009181016706979
Energy: 0.015789309163290625
Energy: 0.06289251006090792
Energy: 0.015789309163290625
Energy: 0.06289251005871573
Energy: 0.015789309163290625
Energy: 0.06289251005871573
Energy: 0.2016336475184277
Energy: 0.12043205917645478
Energy: 0.2016336475191584
Energy: 0.12043205917791625
Energy: 0.2016336475184277
Energy: 0.12043205917645478

minimum gb energy = 0.015649173911856138 eV
minimum distance =  2.70992576113002 Angstroms
sigma value = 11


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

Energy: 0.29890371314371755
Energy: 0.2339215945750014
Energy: 0.29890371314211167
Energy: 0.2339215945750014
Energy: 0.29890371314318226
Energy: 0.23392159457339554
Energy: 0.27883464241325623
Energy: 0.15713051103253797
Energy: 0.2788346424111151
Energy: 0.15713051103414377
Energy: 0.2788346424137915
Energy: 0.15713051103253797
Energy: 0.20532703455612714
Energy: 0.4277054907509157
Energy: 0.23248961841560012
Energy: 0.42770549074930986
Energy: 0.21884445926157955
Energy: 0.4277054907487746
Energy: 0.23751409003822826
Energy: 0.20534109403889936
Energy: 0.23751409003715773
Energy: 0.20534109403782883
Energy: 0.23751409003715773
Energy: 0.20534109403515247
Energy: 0.215358264535675
Energy: 0.1268495095016404
Energy: 0.2153582645351397
Energy: 0.12684950950271096
Energy: 0.21535826453674553
Energy: 0.1268495095016404
Energy: 0.28385771308156876
Energy: 0.15285283562173604
Energy: 0.2838577130794277
Energy: 0.1528528356222713
Energy: 0.2838577130847804
Energy: 0.15285283561959495
Energy: 0.1899561761852853
Energy: 0.22815578768752987
Energy: 0.1899561761842147
Energy: 0.2281557876891357
Energy: 0.1899561761852853
Energy: 0.22815578769074152
Energy: 0.22790535114605093
Energy: 0.1030148913620863
Energy: 0.227905351148192
Energy: 0.10301489136048049
Energy: 0.2279053511465862
Energy: 0.1030148913620863
Energy: 0.22801086954866193
Energy: 0.08902390181749682
Energy: 0.22801086954866193
Energy: 0.0890239018142852
Energy: 0.2280108695470561
Energy: 0.08902390181535574
Energy: 0.12081791413953437
Energy: 0.2314696227101663
Energy: 0.12081791414167548
Energy: 0.23146962271177215
Energy: 0.12081791413685801
Energy: 0.23146962270909577
Energy: 0.2881967657768893
Energy: 0.18706326578845564
Energy: 0.2881967657779599
Energy: 0.18706326578417343
Energy: 0.2881967657752835
Energy: 0.187063265785244
Energy: 0.21613542406552805
Energy: 0.12696646697681077
Energy: 0.21613542406178113
Energy: 0.12696646697681077
Energy: 0.2161354240639222
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Energy: 0.2294834782084557
Energy: 0.20404105623241015
Energy: 0.22948347820684986
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Energy: 0.22948347820738513
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Energy: 0.24639214303377777
Energy: 0.30250749909163727
Energy: 0.246392143032172
Energy: 0.30250749909003144
Energy: 0.2463921430306148
Energy: 0.30250749909538416
Energy: 0.28110994225326097
Energy: 0.15828208843235533
Energy: 0.2811099422495141
Energy: 0.15828208843396116
Energy: 0.28110994225058455
Energy: 0.1582820884328906
Energy: 0.22188186387284686
Energy: 0.23449522605241585
Energy: 0.22188186387338213
Energy: 0.23449522605241585
Energy: 0.22188186387498793
Energy: 0.2344952260540217
Energy: 0.18222824677030852
Energy: 0.15309326586283736
Energy: 0.18222824676816737
Energy: 0.15309326586390792
Energy: 0.18222824676816737
Energy: 0.15309326586283736
Energy: 0.247271042679298
Energy: 0.3483189381870662
Energy: 0.24727104267876268
Energy: 0.3483189381849251
Energy: 0.24727104267983327
Energy: 0.34831893818224874
Energy: 0.23603974284022264
Energy: 0.20219027938827347
Energy: 0.23603974283915205
Energy: 0.2021902793855971
Energy: 0.23603974283754625
Energy: 0.20219027938666764
Energy: 0.21602694368934838
Energy: 0.16346714788504033
Energy: 0.21602694368827785
Energy: 0.16346714788718145
Energy: 0.21602694368667202
Energy: 0.16346714788343453
Energy: 0.12017925816542754
Energy: 0.15290149851923573
Energy: 0.12017925816596284
Energy: 0.15290149851923573
Energy: 0.12017925816810392
Energy: 0.1529014985208416
Energy: 0.22268699816391951
Energy: 0.23429719582407652
Energy: 0.22268699816713117
Energy: 0.23429719582568231
Energy: 0.22268699816499007
Energy: 0.23429719582461175
Energy: 0.22432387149415572
Energy: 0.2641143424936576
Energy: 0.22432387149576152
Energy: 0.2641143424920518
Energy: 0.22432387149576152
Energy: 0.26411434249044596
Energy: 0.22123367166601224
Energy: 0.15786392170570276
Energy: 0.22123367166601224
Energy: 0.15786392170784386
Energy: 0.22123367166868854
Energy: 0.1578639217067733
Energy: 0.11926033488903232
Energy: 0.2308950916662459
Energy: 0.11926033489063813
Energy: 0.23089509166892225
Energy: 0.11926033489384977
Energy: 0.23089509165661098
Energy: 0.43136072835609335
Energy: 0.1886809828307215
Energy: 0.43136072835609335
Energy: 0.1886809828307215
Energy: 0.4313607283555581
Energy: 0.1886809828301862

minimum gb energy = 0.0890239018142852 eV
minimum distance =  2.49092894635356 Angstroms
sigma value = 41


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

Energy: 0.3234784508571704
Energy: 0.3254012481540603
Energy: 0.32347845085674853
Energy: 0.3254012481540603
Energy: 0.3234784508584361
Energy: 0.3254012481519509
Energy: 0.5314583099933713
Energy: 0.38265149658880376
Energy: 0.5314583099925275
Energy: 0.38265149658964753
Energy: 0.5314583099933713
Energy: 0.38265149658880376
Energy: 0.43485971618788055
Energy: 0.5385888536238667
Energy: 0.43485971618788055
Energy: 0.5385888536251323
Energy: 0.4348597161891462
Energy: 0.5385888536234448
Energy: 0.31288458760357535
Energy: 0.3162959369416266
Energy: 0.31288458760399723
Energy: 0.31629593694247043
Energy: 0.3128845876099037
Energy: 0.31629593694078284
Energy: 0.26397597777348525
Energy: 0.33031571911141494
Energy: 0.26397597777221954
Energy: 0.33031571910972735
Energy: 0.2639759777709539
Energy: 0.3303157191101493
Energy: 0.5325731904512279
Energy: 0.45112437622361257
Energy: 0.5325731904520716
Energy: 0.4511243762223469
Energy: 0.5325731904516497
Energy: 0.4511243762219251
Energy: 0.29340154535520063
Energy: 0.4459186857605608
Energy: 0.2934015453556226
Energy: 0.44591868575971705
Energy: 0.2934015453556226
Energy: 0.44591868575971705
Energy: 0.30036143302485296
Energy: 0.3159553470209489
Energy: 0.30036143302485296
Energy: 0.3159553470209489
Energy: 0.3003614330235873
Energy: 0.31595534702221456
Energy: 0.2986463471230642
Energy: 0.3358196168267183
Energy: 0.2986463471230642
Energy: 0.33581961682503075
Energy: 0.2986463471234861
Energy: 0.33581961682503075
Energy: 0.4346017661783733
Energy: 0.42831735155581235
Energy: 0.4346017661787952
Energy: 0.42831735155665607
Energy: 0.4346017661787952
Energy: 0.4283173515562343
Energy: 0.4364966572941831
Energy: 0.43445239961814575
Energy: 0.4364966572946051
Energy: 0.43445239961772386
Energy: 0.43649665729629256
Energy: 0.43445239961772386
Energy: 0.2646767146872087
Energy: 0.40935060528574907
Energy: 0.2646767146876306
Energy: 0.40935060528532713
Energy: 0.2646767146872087
Energy: 0.40935060528532713
Energy: 0.2751814926487825
Energy: 0.31677084017788626
Energy: 0.27518149264793873
Energy: 0.31677084017788626
Energy: 0.27518149264920444
Energy: 0.31677084017788626
Energy: 0.2645698585196931
Energy: 0.43304688148783027
Energy: 0.26456985852011494
Energy: 0.43304688148825216
Energy: 0.26456985852011494
Energy: 0.43304688148783027
Energy: 0.5326158667673222
Energy: 0.45114052035277463
Energy: 0.5326158667664783
Energy: 0.45114052035277463
Energy: 0.5326158667673222
Energy: 0.45114052035488406
Energy: 0.2643668080352326
Energy: 0.3892778570117167
Energy: 0.2643668080373421
Energy: 0.3892778570108729
Energy: 0.2643668080364983
Energy: 0.40910078123661303
Energy: 0.27596235111812584
Energy: 0.31746639130335347
Energy: 0.27596235111896966
Energy: 0.31746639130377535
Energy: 0.2759623511164383
Energy: 0.31746639130377535
Energy: 0.36954040140203964
Energy: 0.5380928933711225
Energy: 0.36954040140203964
Energy: 0.5380928933707008
Energy: 0.36954040140161776
Energy: 0.5380928933694351
Energy: 0.5313317564910616
Energy: 0.3859211529887396
Energy: 0.5313317564906396
Energy: 0.3859211529883177
Energy: 0.5313317564914835
Energy: 0.3859211529891615
Energy: 0.4381804109079465
Energy: 0.3803327111256679
Energy: 0.4381804109079465
Energy: 0.38033271112482414
Energy: 0.43818041090921217
Energy: 0.3803327111260898
Energy: 0.27855595444023923
Energy: 0.460518451928093
Energy: 0.27855595444023923
Energy: 0.460518451928093
Energy: 0.27855595444023923
Energy: 0.4605184519272493
Energy: 0.43652467130164907
Energy: 0.537871433187233
Energy: 0.436524671302071
Energy: 0.5378714331855453
Energy: 0.43652467130080536
Energy: 0.5378714331855453
Energy: 0.31993075687036193
Energy: 0.31618081220348077
Energy: 0.31993075687036193
Energy: 0.31618081220348077
Energy: 0.3199307568716276
Energy: 0.3161808122047465
Energy: 0.26434854281223596
Energy: 0.37340956154443455
Energy: 0.2643485428126578
Energy: 0.37340956154612215
Energy: 0.26434854281307973
Energy: 0.3734095615452784
Energy: 0.2746849491055875
Energy: 0.45181730293361766
Energy: 0.2746849491043218
Energy: 0.45181730293319566
Energy: 0.2746849491051656
Energy: 0.4518173029327738
Energy: 0.29294408904604463
Energy: 0.41528375076142515
Energy: 0.29294408904604463
Energy: 0.41528375076226887
Energy: 0.2929440890452009
Energy: 0.4152837507605813
Energy: 0.27592352002880866
Energy: 0.31622240335222535
Energy: 0.2759235200279649
Energy: 0.31622240335475665
Energy: 0.27592352002880866
Energy: 0.3162224033509597
Energy: 0.3050290100322979
Energy: 0.40942259953748306
Energy: 0.30502901003271976
Energy: 0.40942259953959254
Energy: 0.3050290100331417
Energy: 0.40942259953748306
Energy: 0.438887287976963
Energy: 0.46967063122049574
Energy: 0.4388872879773849
Energy: 0.46967063122007385
Energy: 0.4388872879773849
Energy: 0.4696706312192301
Energy: 0.6356439155668581
Energy: 0.3993775744984397
Energy: 0.6356439155651705
Energy: 0.3993775744963303
Energy: 0.63564391556728
Energy: 0.39937757449886163
Energy: 0.3399820774648491
Energy: 0.38993616635371087
Energy: 0.33998207746400533
Energy: 0.389936166353289
Energy: 0.3399820774627397
Energy: 0.38993616635371087
Energy: 0.2745227138445669
Energy: 0.31584222228167397
Energy: 0.2745227138428794
Energy: 0.31584222228251774
Energy: 0.2745227138445669
Energy: 0.31584222228251774
Energy: 0.2747203170130545
Energy: 0.3906391786793008
Energy: 0.27472031701178884
Energy: 0.39063917867887893
Energy: 0.27472031701178884
Energy: 0.3906391786793008

minimum gb energy = 0.2639759777709539 eV
minimum distance =  2.56258833512856 Angstroms
sigma value = 33


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

Energy: 0.2906423673379628
Energy: 0.2319734599937762
Energy: 0.268016128487113
Energy: 0.2319734599973292
Energy: 0.2906423673379628
Energy: 0.23197345999318406
Energy: 0.4643689187961667
Energy: 0.1966109119382803
Energy: 0.46436891879942366
Energy: 0.1966109119382803
Energy: 0.4643689187952785
Energy: 0.19661091193620775
Energy: 0.45977404248045517
Energy: 0.5961503672509021
Energy: 0.45977404248045517
Energy: 0.59615036725031
Energy: 0.45977404248163944
Energy: 0.5961503672482374
Energy: 0.3563726702813496
Energy: 0.23661459393086284
Energy: 0.35637267028046143
Energy: 0.23661459393056677
Energy: 0.35637267028046143
Energy: 0.2366145939338237
Energy: 0.23077576232609934
Energy: 0.37218625898186025
Energy: 0.23083780746537708
Energy: 0.3721862589868667
Energy: 0.23077576232402675
Energy: 0.3721862589862746
Energy: 0.349006306188232
Energy: 0.3144188429049335
Energy: 0.349006306188232
Energy: 0.31441884290434136
Energy: 0.3490063061879358
Energy: 0.31441884290315697
Energy: 0.222620549097136
Energy: 0.43500724552288933
Energy: 0.2226205490974321
Energy: 0.4350072455231854
Energy: 0.22262054909683993
Energy: 0.43500724552259323
Energy: 0.24482346055326673
Energy: 0.24801196904647335
Energy: 0.24482346055385887
Energy: 0.24801196904528902
Energy: 0.2448234605556354
Energy: 0.24801196904706552
Energy: 0.5011825503898757
Energy: 0.2913786398411978
Energy: 0.5011819076754037
Energy: 0.29137863984001344
Energy: 0.5011825503916522
Energy: 0.29137863983971735
Energy: 0.6561212897949052
Energy: 0.28843422499501137
Energy: 0.656121289793721
Energy: 0.28843422499530746
Energy: 0.6561212897943131
Energy: 0.28843422499530746
Energy: 0.26652502587919774
Energy: 0.3574235723081078
Energy: 0.26652502588186255
Energy: 0.35742357230633137
Energy: 0.26652502587979
Energy: 0.35742357230633137
Energy: 0.5484671406803683
Energy: 0.23898632526798666
Energy: 0.5484671406821447
Energy: 0.2389863252688749
Energy: 0.548467140682441
Energy: 0.23898632526946706
Energy: 0.21025161237547593
Energy: 0.5008120993017032
Energy: 0.21025161237458767
Energy: 0.5008120993002229
Energy: 0.2102516123734033
Energy: 0.5008120993014071
Energy: 0.24185316527185247
Energy: 0.2675153475835609
Energy: 0.24185316527214856
Energy: 0.26751534758504125
Energy: 0.24185316527333287
Energy: 0.2675153475835609
Energy: 0.23379514433281495
Energy: 0.20151077433086714
Energy: 0.23379514432541285
Energy: 0.20151077432997888
Energy: 0.23379514433103843
Energy: 0.20151077432997888
Energy: 0.2870157138962175
Energy: 0.3817177424511237
Energy: 0.2870157138956253
Energy: 0.38171774245260415
Energy: 0.28701571389592145
Energy: 0.3817177424511237
Energy: 0.3412265074082332
Energy: 0.23321842967160666
Energy: 0.34122650740971366
Energy: 0.23321842966953407
Energy: 0.341226507414747
Energy: 0.2332184296704223
Energy: 0.23558339730057534
Energy: 0.24859851460613502
Energy: 0.23558751093892286
Energy: 0.24859851460583895
Energy: 0.23558339730175967
Energy: 0.24859851460909585
Energy: 0.6790845020630442
Energy: 0.4370947707444933
Energy: 0.6790845020636364
Energy: 0.43709477074360503
Energy: 0.679084502062156
Energy: 0.4370947707439012
Energy: 0.378899865958321
Energy: 0.21221145409859302
Energy: 0.37889986595447195
Energy: 0.21221145410036954
Energy: 0.37889986595772884
Energy: 0.21221145409948125
Energy: 0.23246955507665407
Energy: 0.26897889730555263
Energy: 0.23246955508139142
Energy: 0.26897889730081526
Energy: 0.2324695550796149
Energy: 0.2689788973022958
Energy: 0.19626251332846595
Energy: 0.4628284371158746
Energy: 0.19626663824496482
Energy: 0.4628284371123216
Energy: 0.19626251332905814
Energy: 0.4628284371161707
Energy: 0.2335560456557296
Energy: 0.3547899567913933
Energy: 0.23355604564980795
Energy: 0.354789956790505
Energy: 0.23355604565010402
Energy: 0.3547899567884325
Energy: 0.23689599598704653
Energy: 0.36472142022865983
Energy: 0.23689599599059952
Energy: 0.36472142023162063
Energy: 0.2368959959873426
Energy: 0.364721420229252
Energy: 0.5129750876876882
Energy: 0.23328175467297013
Energy: 0.5129750876891687
Energy: 0.23328175467208193
Energy: 0.5129750876876882
Energy: 0.2332817546744506
Energy: 0.3100072905494216
Energy: 0.24335756245469425
Energy: 0.3100072905494216
Energy: 0.24335756245262166
Energy: 0.31000729054705295
Energy: 0.24335756245380602
Energy: 0.3976214661260894
Energy: 0.2216555577447697
Energy: 0.3976214661260894
Energy: 0.22165555774417753
Energy: 0.3976214661263855
Energy: 0.22165555774595405
Energy: 0.29276234917806554
Energy: 0.23709875204066452
Energy: 0.26970453530206545
Energy: 0.23709875204214495
Energy: 0.292762349176289
Energy: 0.2370987520409606
Energy: 0.26256622991130213
Energy: 0.5004366364195814
Energy: 0.26256622991603945
Energy: 0.5004366364210618
Energy: 0.262566229914559
Energy: 0.5004366364210618
Energy: 0.28763566640533905
Energy: 0.6568088442164326
Energy: 0.2876356664047469
Energy: 0.6568088442146561
Energy: 0.28763566640445076
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Energy: 0.21792264916571039
Energy: 0.2340567630580747
Energy: 0.21792264916571039
Energy: 0.2340567630604434
Energy: 0.21792264916630252
Energy: 0.23405676305600215
Energy: 0.23694070742900164
Energy: 0.5495060016254746
Energy: 0.2360448177184994
Energy: 0.5495060016245863
Energy: 0.2369407074313703
Energy: 0.5495060016251784
Energy: 0.5080473913620563
Energy: 0.24686347976494638
Energy: 0.5080473913614642
Energy: 0.24686347976642678
Energy: 0.5080473913587994
Energy: 0.24686347976020903
Energy: 0.37430309702713876
Energy: 0.23456949361895585
Energy: 0.37430309702713876
Energy: 0.23456949362162063
Energy: 0.37430309702891523
Energy: 0.2345694936198441
Energy: 0.35944324175357545
Energy: 0.23392818882160954
Energy: 0.3594432417565094
Energy: 0.23392818882220173
Energy: 0.35944324175416764
Energy: 0.23392818882220173
Energy: 0.5154275873243459
Energy: 0.2950922726367754
Energy: 0.5154252467084423
Energy: 0.2950922726349989
Energy: 0.5154275873237538
Energy: 0.29509227263411064
Energy: 0.23456658254339424
Energy: 0.5133951418860836
Energy: 0.23456658254280208
Energy: 0.513395141886972
Energy: 0.23456658254369034
Energy: 0.5133951418863798
Energy: 0.25186013904228555
Energy: 0.24147329920254082
Energy: 0.25186013903962085
Energy: 0.24147329920254082
Energy: 0.2518601390390287
Energy: 0.2414732992010604
Energy: 0.3062636034389702
Energy: 0.676418429844443
Energy: 0.30626549009699444
Energy: 0.676418429844739
Energy: 0.30626360344015446
Energy: 0.6764184298453313
Energy: 0.21185609770521027
Energy: 0.5021027988006144
Energy: 0.2118560977066907
Energy: 0.5021027988020949
Energy: 0.21185609770757896
Energy: 0.5021027988000222
Energy: 0.2699284388458505
Energy: 0.23397520514701015
Energy: 0.2699284388470348
Energy: 0.23397520514434536
Energy: 0.2699284388467387
Energy: 0.23397520514612188
Energy: 0.464276846781788
Energy: 0.20173402064015458
Energy: 0.4642768467803075
Energy: 0.20173402064104282
Energy: 0.464276846782084
Energy: 0.2017340206395624
Energy: 0.33965125341756885
Energy: 0.23426490363457195
Energy: 0.33965125341756885
Energy: 0.23426490363605237
Energy: 0.3396512534160884
Energy: 0.2342649036381249
Energy: 0.4807913214677362
Energy: 0.23365246845427762
Energy: 0.4807913214665518
Energy: 0.23365246845013243
Energy: 0.4807913214674401
Energy: 0.23365246845368548
Energy: 0.23472406315858352
Energy: 0.25493515191700983
Energy: 0.23471388734350024
Energy: 0.2549351519232276
Energy: 0.23472406315917568
Energy: 0.2549351519196746
Energy: 0.4139679983127676
Energy: 0.32092447343976066
Energy: 0.4139679983127676
Energy: 0.32092447344035285
Energy: 0.4139679983130637
Energy: 0.32092447344035285
Energy: 0.19598738157979398
Energy: 0.39641776598770967
Energy: 0.19598738158157047
Energy: 0.3964177659874135
Energy: 0.19598738158245874
Energy: 0.3964177659874135

minimum gb energy = 0.19598738157979398 eV
minimum distance =  2.51756605647427 Angstroms
sigma value = 67


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

Energy: 0.3393130789861191
Energy: 0.25835694870376325
Energy: 0.3393130789888849
Energy: 0.25835694870376325
Energy: 0.3393130789888849
Energy: 0.2583569487031786
Energy: 0.30354798856506904
Energy: 0.22412087639549552
Energy: 0.30354798856547377
Energy: 0.22412087639529316
Energy: 0.30354798856646314
Energy: 0.22412087639430373
Energy: 0.3475751503017358
Energy: 0.4513962459514619
Energy: 0.3475751503017358
Energy: 0.45139624595107963
Energy: 0.347575150302343
Energy: 0.4513962459504725
Energy: 0.30352132956330213
Energy: 0.22420616227229295
Energy: 0.30352132956211036
Energy: 0.22420616227427176
Energy: 0.30352132956231276
Energy: 0.22420616227348472
Energy: 0.3393130789867037
Energy: 0.258356948704955
Energy: 0.3393130789859167
Energy: 0.2583569487005926
Energy: 0.3393130789867037
Energy: 0.25835694870356085
Energy: 0.3035479885658561
Energy: 0.22412087639311196
Energy: 0.3035479885652714
Energy: 0.22412087639491085
Energy: 0.30354798856468673
Energy: 0.22412087639410136
Energy: 0.22487396540527257
Energy: 0.4513962459516643
Energy: 0.2248739654050702
Energy: 0.4513962459516643
Energy: 0.2248739654050702
Energy: 0.45139624595107963

minimum gb energy = 0.22412087639311196 eV
minimum distance =  2.49622512400619 Angstroms
sigma value = 3


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

Energy: 0.3369185652431666
Energy: 0.31166125677211765
Energy: 0.33691856524639796
Energy: 0.31166125677397816
Energy: 0.33691856524693653
Energy: 0.3116612567731948
Energy: 0.35696080161770694
Energy: 0.20809020764955036
Energy: 0.3569608016153079
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Energy: 0.3569608016120765
Energy: 0.20809020765601316
Energy: 0.21408865967239388
Energy: 0.4573923766685989
Energy: 0.21408865967156154
Energy: 0.4573923766683051
Energy: 0.21408865967371585
Energy: 0.4573923766688437
Energy: 0.39740807813242773
Energy: 0.2730953914542732
Energy: 0.39740807813027346
Energy: 0.27309539144942613
Energy: 0.39740807813135054
Energy: 0.2730953914502095
Energy: 0.2821382686008241
Energy: 0.28321976698773194
Energy: 0.28213826860111785
Energy: 0.28321976698640994
Energy: 0.28213826860136265
Energy: 0.28321976698479423
Energy: 0.2591328858425128
Energy: 0.2881829738050607
Energy: 0.2591328858408971
Energy: 0.28818297380398356
Energy: 0.2591328858432962
Energy: 0.288182973805893
Energy: 0.32525693454667104
Energy: 0.41770810395050223
Energy: 0.325256934550392
Energy: 0.41770810395510444
Energy: 0.32525693454882526
Energy: 0.4177081039534888
Energy: 0.3589702699912263
Energy: 0.2884900403025445
Energy: 0.35897026998882714
Energy: 0.28992388600185165
Energy: 0.35897026998990433
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Energy: 0.29976629146825207
Energy: 0.26731162046384555
Energy: 0.29976629146717493
Energy: 0.2673116204584599
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Energy: 0.2539793954177844
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Energy: 0.2539793954177844
Energy: 0.29957362163138807
Energy: 0.253979395418323
Energy: 0.2995736216308495
Energy: 0.3239201885082493
Energy: 0.4048004761404614
Energy: 0.323920188506095
Energy: 0.40480047613992287
Energy: 0.323920188507417
Energy: 0.40480047614021664
Energy: 0.2882765667598391
Energy: 0.243200869920681
Energy: 0.2882765667606225
Energy: 0.24320086992043619
Energy: 0.28827656675876195
Energy: 0.24320086992474468
Energy: 0.23681523407766686
Energy: 0.2733584212947591
Energy: 0.23681523407982108
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Energy: 0.23681523407658972
Energy: 0.2733584212945144
Energy: 0.33788259149580635
Energy: 0.3541150002017178
Energy: 0.3378825914961001
Energy: 0.3541150001947164
Energy: 0.3378825914961001
Energy: 0.3541150002041169
Energy: 0.46369493965023495
Energy: 0.3773025444448316
Energy: 0.4636949396491578
Energy: 0.3773025444459087
Energy: 0.4636949396486193
Energy: 0.3773025444445378
Energy: 0.34952387588943606
Energy: 0.26509195182360135
Energy: 0.34952387588267947
Energy: 0.2650919518230628
Energy: 0.3495238758832181
Energy: 0.2650919518238951
Energy: 0.31425827578468324
Energy: 0.26507806918372645
Energy: 0.3142582757836061
Energy: 0.26507806918558696
Energy: 0.31425827578389987
Energy: 0.26507806918372645
Energy: 0.3264014786683321
Energy: 0.34600218452203135
Energy: 0.326401478667255
Energy: 0.34600218452717224
Energy: 0.32640147866862584
Energy: 0.34600218452017084
Energy: 0.39405141405200994
Energy: 0.32740244356096154
Energy: 0.39405141405063915
Energy: 0.3274024435617449
Energy: 0.39405141405039434
Energy: 0.3274024435606678
Energy: 0.28827123621408896
Energy: 0.27679431912485736
Energy: 0.28827123621545986
Energy: 0.2767943191232416
Energy: 0.2882712362143828
Energy: 0.2767943191237802
Energy: 0.3079551563091589
Energy: 0.31479981321335426
Energy: 0.3079551563075431
Energy: 0.31479981321389283
Energy: 0.3079551563062212
Energy: 0.3147998132125219
Energy: 0.30829657601373034
Energy: 0.3830480469016169
Energy: 0.30829657601319177
Energy: 0.3830480469019107
Energy: 0.3082965760145626
Energy: 0.3830480469000012
Energy: 0.4359341585162466
Energy: 0.26269187869909927
Energy: 0.435934158512183
Energy: 0.262691878698267
Energy: 0.43593415851487577
Energy: 0.26269187869856075
Energy: 0.24654569861370423
Energy: 0.2973676140496015
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Energy: 0.29736761404876916
Energy: 0.24654569861478137
Energy: 0.2973676140482306
Energy: 0.3064087059797132
Energy: 0.31478568373696175
Energy: 0.30640870597809755
Energy: 0.31478568373779403
Energy: 0.3064087059767266
Energy: 0.31478568373779403
Energy: 0.26856209462437747
Energy: 0.34759720006955014
Energy: 0.2685620946219784
Energy: 0.34759720006876677
Energy: 0.2685620946265317
Energy: 0.34759720007116585
Energy: 0.3421853952137888
Energy: 0.2730603257876
Energy: 0.342185395211096
Energy: 0.27306032578813855
Energy: 0.3421853952116345
Energy: 0.27306032578515194
Energy: 0.26107482987435854
Energy: 0.2694861105947419
Energy: 0.2610748298719594
Energy: 0.2694861105955253
Energy: 0.2610748298741137
Energy: 0.2694861105968962
Energy: 0.31373302795237995
Energy: 0.2649787488529519
Energy: 0.3137330279539956
Energy: 0.2649787488545676
Energy: 0.31373302795130276
Energy: 0.2649787488553999
Energy: 0.3529831036795052
Energy: 0.26005914796357493
Energy: 0.35298310368165947
Energy: 0.26005914796465207
Energy: 0.35298310366927244
Energy: 0.26005914796357493
Energy: 0.4647066810017876
Energy: 0.26800891059518656
Energy: 0.46470668100100426
Energy: 0.2680089105973408
Energy: 0.46470668100394186
Energy: 0.2680089105973408
Energy: 0.30602527466904966
Energy: 0.26768175093532515
Energy: 0.30602527466904966
Energy: 0.2676817509358637
Energy: 0.3060252746679725
Energy: 0.2676817509347866
Energy: 0.2705534036023282
Energy: 0.27696322143785385
Energy: 0.27055340360071256
Energy: 0.27696322143623814
Energy: 0.2705534036014959
Energy: 0.27696322143653196
Energy: 0.37049776271854146
Energy: 0.2741158105928698
Energy: 0.37049776271854146
Energy: 0.27411581059233125
Energy: 0.37049776270723156
Energy: 0.2741158105931146
Energy: 0.30412559073145046
Energy: 0.32460724268387725
Energy: 0.30412559073335993
Energy: 0.3246072426871087
Energy: 0.30412559073120565
Energy: 0.32460724267854063
Energy: 0.2625707528206491
Energy: 0.3166557678813661
Energy: 0.2625707528214325
Energy: 0.3166557678808276
Energy: 0.26257075282388054
Energy: 0.31665576788405897
Energy: 0.22406512497714262
Energy: 0.27055593219236806
Energy: 0.22406512497714262
Energy: 0.27055593219099716
Energy: 0.22406512497660405
Energy: 0.2705559321920743
Energy: 0.4635613014384231
Energy: 0.26166806407559035
Energy: 0.4635613014392555
Energy: 0.26166806407182036
Energy: 0.463561301437346
Energy: 0.2616680640742684
Energy: 0.22666585634790218
Energy: 0.38106015269146515
Energy: 0.22666585634653127
Energy: 0.3810601526890661
Energy: 0.22666585634790218
Energy: 0.38106015269308086
Energy: 0.2891210535277968
Energy: 0.3164410356914907
Energy: 0.2891210535315668
Energy: 0.3164410356911969
Energy: 0.2891210535283354
Energy: 0.31644103568904264
Energy: 0.2848593538585232
Energy: 0.2870897926216017
Energy: 0.28485935386067746
Energy: 0.28708979262076945
Energy: 0.2848593538577398
Energy: 0.28708979261944745
Energy: 0.4789799786706186
Energy: 0.290920722576793
Energy: 0.4789799786706186
Energy: 0.29092072257708673
Energy: 0.47897997866929665
Energy: 0.2909207225784087
Energy: 0.24230509955257465
Energy: 0.3440602727903732
Energy: 0.24230509955125268
Energy: 0.34406027279061807
Energy: 0.2423050995507141
Energy: 0.3440602727919889
Energy: 0.31687581342418425
Energy: 0.2678652942903017
Energy: 0.31687581342550614
Energy: 0.2678652942910851
Energy: 0.316875813424429
Energy: 0.26786529429299455
Energy: 0.3466326688832316
Energy: 0.31360485217862827
Energy: 0.34663266887813965
Energy: 0.3136048521797054
Energy: 0.3466326688808325
Energy: 0.3136048521759354
Energy: 0.3600766810522395
Energy: 0.29693660319106263
Energy: 0.36007668105816365
Energy: 0.2969366031921398
Energy: 0.360076681066487
Energy: 0.2969366031892022
Energy: 0.21324735374883041
Energy: 0.3449391125507753
Energy: 0.21324735374990755
Energy: 0.3449391125513139
Energy: 0.213247353749369
Energy: 0.34493911255371296
Energy: 0.2361107019728226
Energy: 0.2552221056736794
Energy: 0.23611070197203923
Energy: 0.2552221056784776
Energy: 0.23611070197174547
Energy: 0.25522210567475656
Energy: 0.28438435295181075
Energy: 0.2744805254312985
Energy: 0.2843843529493627
Energy: 0.27448052543076
Energy: 0.2843843529525942
Energy: 0.27448052543076
Energy: 0.3972603645893077
Energy: 0.32504601537430605
Energy: 0.3972603645885244
Energy: 0.32504601537430605
Energy: 0.3972603645869086
Energy: 0.3250460153769989
Energy: 0.25489809467675417
Energy: 0.3272517736900523
Energy: 0.25489809467567703
Energy: 0.3272517736889752
Energy: 0.25489809467567703
Energy: 0.32725177370381026

minimum gb energy = 0.20809020764955036 eV
minimum distance =  2.46564414037783 Angstroms
sigma value = 81


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

Energy: 0.4305601725115263
Energy: 0.5126568419770847
Energy: 0.40594501544881895
Energy: 0.5126568419774543
Energy: 0.43056017251189593
Energy: 0.5126568419770847
Energy: 0.4102041825185291
Energy: 0.41387458535267624
Energy: 0.41020418252074664
Energy: 0.41387458535267624
Energy: 0.4102041825196379
Energy: 0.4138745853530458
Energy: 0.36871941036898176
Energy: 0.44047942534305423
Energy: 0.37626970113140507
Energy: 0.4404794253415759
Energy: 0.3687194103682426
Energy: 0.4404794253415759
Energy: 0.38924010880142573
Energy: 0.39577675277988184
Energy: 0.3892401088006866
Energy: 0.39577675278099056
Energy: 0.3892401088006866
Energy: 0.395776752780621
Energy: 0.47773575147366776
Energy: 0.3921305808701002
Energy: 0.4777357514740374
Energy: 0.3921305808704698
Energy: 0.4777357514732982
Energy: 0.39213058086936103
Energy: 0.3708174215795763
Energy: 0.4041325865319445
Energy: 0.3708174215773588
Energy: 0.4041325865326836
Energy: 0.3708174215788371
Energy: 0.4041325865326836
Energy: 0.4003142865683395
Energy: 0.5392418976948533
Energy: 0.39117532708489544
Energy: 0.5392418976948533
Energy: 0.40031428656796997
Energy: 0.5392418976933749
Energy: 0.42314690850202463
Energy: 0.4339021632693233
Energy: 0.4229847821472776
Energy: 0.4339021632678449
Energy: 0.42314690850202463
Energy: 0.4339021632667362
Energy: 0.4031004555884785
Energy: 0.36096126374408855
Energy: 0.4031004555892177
Energy: 0.36096126374408855
Energy: 0.4031004555892177
Energy: 0.3609612637448277
Energy: 0.3182707209977773
Energy: 0.5593754761865564
Energy: 0.3182707209970381
Energy: 0.5593754761847085
Energy: 0.3182707209962989
Energy: 0.5593754761843389
Energy: 0.4112009672395619
Energy: 0.5206832161730379
Energy: 0.4112009672417794
Energy: 0.5206832161730379
Energy: 0.41120096724104027
Energy: 0.52068321617119
Energy: 0.38853831170052855
Energy: 0.3759243366005761
Energy: 0.38855255623515444
Energy: 0.3759243366009457
Energy: 0.3885383117020069
Energy: 0.37592433660316327
Energy: 0.4230352232072663
Energy: 0.43970531630087795
Energy: 0.42303522320800546
Energy: 0.4397053163012475
Energy: 0.42303522320578796
Energy: 0.43970531630198667
Energy: 0.34789543458710426
Energy: 0.3960004558926911
Energy: 0.347895434588213
Energy: 0.3960004558923216
Energy: 0.34789543458932176
Energy: 0.3960004558937999
Energy: 0.4397528881863419
Energy: 0.45066235881475813
Energy: 0.4397528881870811
Energy: 0.4506623588154973
Energy: 0.4397528881837548
Energy: 0.4506623588166061
Energy: 0.4221339120048492
Energy: 0.3886943233313696
Energy: 0.4221339120048492
Energy: 0.38869432333063036
Energy: 0.42213391200337086
Energy: 0.38869432333244475
Energy: 0.3847446509348698
Energy: 0.39798571143122186
Energy: 0.3847446509352394
Energy: 0.3979857114308523
Energy: 0.38474465093154353
Energy: 0.3979857114301131
Energy: 0.3647714573056598
Energy: 0.6033091365376767
Energy: 0.3649167929693206
Energy: 0.6033091365361983
Energy: 0.3647714573067686
Energy: 0.6033091365361983
Energy: 0.4402115440108261
Energy: 0.3718603211100793
Energy: 0.4402115440119348
Energy: 0.3718603211097096
Energy: 0.44021154401156526
Energy: 0.37186032110934003
Energy: 0.39592198620848856
Energy: 0.3603324214425802
Energy: 0.39592198620848856
Energy: 0.3603324214425802
Energy: 0.3959219862095973
Energy: 0.3603324214440585
Energy: 0.3883405167492405
Energy: 0.4395506603447333
Energy: 0.38834051674997977
Energy: 0.43955066034584206
Energy: 0.3883405167481318
Energy: 0.43955066034436374
Energy: 0.4612456901020278
Energy: 0.46235351940473
Energy: 0.44788265408559635
Energy: 0.4623535194058388
Energy: 0.4612456901016582
Energy: 0.4623535194050996
Energy: 0.48662674340634954
Energy: 0.43019724918936864
Energy: 0.42814833731476426
Energy: 0.4301972491901079
Energy: 0.4866267434070887
Energy: 0.43019724918899904
Energy: 0.4229107153296582
Energy: 0.47884236566849747
Energy: 0.4229107153337237
Energy: 0.4788423656681278
Energy: 0.4229107153300277
Energy: 0.4788423656692366
Energy: 0.3674260343144814
Energy: 0.406056455566123
Energy: 0.3674260343137422
Energy: 0.4060564555639055
Energy: 0.3674260343137422
Energy: 0.40605645556353587
Energy: 0.5021941794492087
Energy: 0.4231873848468873
Energy: 0.5021941794499479
Energy: 0.4231873848468873
Energy: 0.5021941794514263
Energy: 0.42318738484540896
Energy: 0.3632606155345102
Energy: 0.3902098111673801
Energy: 0.36326061553377104
Energy: 0.3902098111677497
Energy: 0.3632606155341406
Energy: 0.3902098111677497
Energy: 0.39790166908124486
Energy: 0.39745807927835825
Energy: 0.39872962810372303
Energy: 0.397458079279467
Energy: 0.3979016690801361
Energy: 0.3974580792787278
Energy: 0.4382766672782688
Energy: 0.41784333967706716
Energy: 0.4382736247001152
Energy: 0.4178433396752192
Energy: 0.4382766672797471
Energy: 0.417843339676328
Energy: 0.4080652709801934
Energy: 0.3130662673535463
Energy: 0.4080652709787151
Energy: 0.31306626735095916
Energy: 0.4080652709801934
Energy: 0.313066267352068
Energy: 0.3811757012764252
Energy: 0.5841389387361651
Energy: 0.38117570127679484
Energy: 0.5841389387354259
Energy: 0.3811757012753164
Energy: 0.5841389387365346
Energy: 0.3909251508908714
Energy: 0.43843444504215506
Energy: 0.3909251508908714
Energy: 0.43843444504289425
Energy: 0.3909251508908714
Energy: 0.4384344450432638
Energy: 0.3872466464192156
Energy: 0.3921572385321876
Energy: 0.38724908603499064
Energy: 0.3921572385321876
Energy: 0.3872466464181068
Energy: 0.3921572385307093
Energy: 0.5035499253910066
Energy: 0.3621423917030177
Energy: 0.5035358940165071
Energy: 0.3621423917033873
Energy: 0.5035499253891587
Energy: 0.3621423917033873
Energy: 0.37889741789111486
Energy: 0.6657075829820047
Energy: 0.3788815383512293
Energy: 0.6657075829812655
Energy: 0.3788974178922236
Energy: 0.6657075829823743
Energy: 0.36226510713799925
Energy: 0.4021729810220491
Energy: 0.36226510713873844
Energy: 0.4021729810220491
Energy: 0.36226510713836885
Energy: 0.4021729810209404
Energy: 0.4385214653542009
Energy: 0.3902236593686999
Energy: 0.43852146535198333
Energy: 0.3902236593642649
Energy: 0.43852146535309205
Energy: 0.39022365936722153
Energy: 0.38493644068389826
Energy: 0.4815217190820653
Energy: 0.3849364406835286
Energy: 0.48152171908280444
Energy: 0.3849364406842678
Energy: 0.48152171908280444

minimum gb energy = 0.31306626735095916 eV
minimum distance =  2.24409532242256 Angstroms
sigma value = 43


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

Energy: 0.527048636952077
Energy: 0.39950135977200935
Energy: 0.527048636950715
Energy: 0.39950135977019346
Energy: 0.527048636951623
Energy: 0.3995013597711014
Energy: 0.5088816995826746
Energy: 0.4051408686747209
Energy: 0.5088816995826746
Energy: 0.40514086867426696
Energy: 0.5088816995822207
Energy: 0.40514086867426696
Energy: 0.3653899763180899
Energy: 0.5829320863629428
Energy: 0.3897194208954597
Energy: 0.5829320863620349
Energy: 0.37324284914080386
Energy: 0.5829320863633968
Energy: 0.4867870608022386
Energy: 0.4014574106182053
Energy: 0.48678706080133066
Energy: 0.40145741061775136
Energy: 0.48678706080178463
Energy: 0.4014574106191132
Energy: 0.4485629472444814
Energy: 0.42731726098433903
Energy: 0.4485629472449354
Energy: 0.427317260985701
Energy: 0.4485629472449354
Energy: 0.4273172609825232
Energy: 0.40764139305544755
Energy: 0.4572571907360675
Energy: 0.40764139305499364
Energy: 0.45725719073833726
Energy: 0.40764139305499364
Energy: 0.4572571907387913
Energy: 0.4577599313508783
Energy: 0.5830345834213682
Energy: 0.45775993134770043
Energy: 0.5830345834209142
Energy: 0.4577599313508783
Energy: 0.5830345834213682
Energy: 0.43474314648799456
Energy: 0.3884977687002273
Energy: 0.43474314648844853
Energy: 0.3884977687002273
Energy: 0.43474314648890244
Energy: 0.3884977687002273
Energy: 0.45826180918126275
Energy: 0.42872786070139307
Energy: 0.4582618091808087
Energy: 0.428727860703209
Energy: 0.4582618091803548
Energy: 0.428727860702301
Energy: 0.389595996293141
Energy: 0.520987732069613
Energy: 0.3895959962926871
Energy: 0.520987732069613
Energy: 0.3895959962926871
Energy: 0.520987732069159
Energy: 0.47674924959222126
Energy: 0.4925021330100213
Energy: 0.4767492495926752
Energy: 0.49250213300865947
Energy: 0.47674924959222126
Energy: 0.4925021330095674
Energy: 0.43458012177061234
Energy: 0.4491623518010111
Energy: 0.4345801217719742
Energy: 0.4491623517991952
Energy: 0.43458012177106625
Energy: 0.44916235180010317
Energy: 0.4411635968187696
Energy: 0.4834491707631853
Energy: 0.4411635968187696
Energy: 0.48344917076273136
Energy: 0.44116359681922357
Energy: 0.48344917076182337
Energy: 0.39023482363666473
Energy: 0.5235829463592454
Energy: 0.3902348236371187
Energy: 0.5235829463592454
Energy: 0.3902348236362107
Energy: 0.5235829463587914
Energy: 0.4290372722382616
Energy: 0.4206871970793119
Energy: 0.4290372722382616
Energy: 0.4206871970788579
Energy: 0.42903727223735366
Energy: 0.4206871970793119
Energy: 0.4377679224224227
Energy: 0.4382880094987656
Energy: 0.4377679224224227
Energy: 0.4382880094983117
Energy: 0.43776792242287665
Energy: 0.4382880094987656
Energy: 0.46991730620125294
Energy: 0.43712488062672833
Energy: 0.46991730620079897
Energy: 0.43712488062582044
Energy: 0.46991730620034505
Energy: 0.43712488062627436
Energy: 0.5298838105741643
Energy: 0.4280294084549511
Energy: 0.5298838105737104
Energy: 0.42802940845585896
Energy: 0.5298838105750724
Energy: 0.42802940845449705
Energy: 0.5484229518384126
Energy: 0.4275139960320411
Energy: 0.5484229518375047
Energy: 0.42751399603158713
Energy: 0.5484229518384126
Energy: 0.42751399603158713
Energy: 0.47000517106523926
Energy: 0.4201392528036588
Energy: 0.47000517106523926
Energy: 0.4201392528050208
Energy: 0.4700051710656932
Energy: 0.4201392528036588
Energy: 0.4381538778290882
Energy: 0.49579589020713455
Energy: 0.4381538778295421
Energy: 0.49579589020622666
Energy: 0.4381538778295421
Energy: 0.49579589020668063
Energy: 0.4838167870334243
Energy: 0.3479775094261481
Energy: 0.4838167870320624
Energy: 0.3479775094261481
Energy: 0.48381678703387826
Energy: 0.34797750942660205
Energy: 0.39112560451202133
Energy: 0.5059015366615722
Energy: 0.39112560451156736
Energy: 0.5059015366606644
Energy: 0.39112560451111344
Energy: 0.5059015366593025
Energy: 0.45494649223932254
Energy: 0.4667940876824396
Energy: 0.45494649223977646
Energy: 0.46679408768198566
Energy: 0.45494649223886857
Energy: 0.4667940876824396
Energy: 0.4355021893284995
Energy: 0.4282060353785634
Energy: 0.43550218932895346
Energy: 0.42820603537810936
Energy: 0.43550218932895346
Energy: 0.42820603537810936
Energy: 0.5499993941718605
Energy: 0.3882377482545707
Energy: 0.5499993941709526
Energy: 0.3882377482541167
Energy: 0.5499993941723145
Energy: 0.3882377482536627
Energy: 0.40879478855981893
Energy: 0.4643997121513469
Energy: 0.40879478855936496
Energy: 0.46439971215270875
Energy: 0.40879478856027296
Energy: 0.46439971215588655
Energy: 0.444790518563975
Energy: 0.432423010885868
Energy: 0.4447905185626131
Energy: 0.43242301088496
Energy: 0.4447905185626131
Energy: 0.432423010885414
Energy: 0.43539233252470533
Energy: 0.38944175923746727
Energy: 0.43539233252470533
Energy: 0.38944175923792124
Energy: 0.43539233252334353
Energy: 0.3894417592365593
Energy: 0.5181657518609918
Energy: 0.48397838422337675
Energy: 0.5181657518623537
Energy: 0.4839783842256466
Energy: 0.5181657518614458
Energy: 0.48397838422610057
Energy: 0.4078994732063253
Energy: 0.45635088699060466
Energy: 0.40789947320541736
Energy: 0.45635088699105864
Energy: 0.4078994732045094
Energy: 0.45635088699378246

minimum gb energy = 0.3479775094261481 eV
minimum distance =  2.41930983255944 Angstroms
sigma value = 57


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

Energy: 0.4575088172751062
Energy: 0.3053158893668598
Energy: 0.4575088172751062
Energy: 0.30531588936921106
Energy: 0.457508817275694
Energy: 0.30531588936921106
Energy: 0.4042130965745208
Energy: 0.32464548231991036
Energy: 0.4042130965745208
Energy: 0.32464548231991036
Energy: 0.40421309657393295
Energy: 0.3246454823193225
Energy: 0.31410916439527625
Energy: 0.4659431846273317
Energy: 0.31410916439410075
Energy: 0.4659431846326218
Energy: 0.3141091643946885
Energy: 0.4659431846296828
Energy: 0.6230779779162849
Energy: 0.3648189209467685
Energy: 0.6230779779174604
Energy: 0.3648189209467685
Energy: 0.6230779779180484
Energy: 0.3648189209467685
Energy: 0.39817451066749004
Energy: 0.4085932258117221
Energy: 0.39817451066631443
Energy: 0.4085932258117221
Energy: 0.3981745106657266
Energy: 0.4085932258117221
Energy: 0.31303594290675313
Energy: 0.3497708449549079
Energy: 0.31303594290734094
Energy: 0.3497708449554957
Energy: 0.31303594290616527
Energy: 0.3497708449566713
Energy: 0.3637047818623535
Energy: 0.46377642515771306
Energy: 0.3637047818623535
Energy: 0.46377642515653755
Energy: 0.36370478186411687
Energy: 0.4637764251583009
Energy: 0.45796212904443656
Energy: 0.34366279459076365
Energy: 0.45796212904443656
Energy: 0.34366279459135146
Energy: 0.4579621290426731
Energy: 0.34366279459193927
Energy: 0.35124522445972867
Energy: 0.3579280253843191
Energy: 0.351245224461492
Energy: 0.35792802538490687
Energy: 0.35124522445855305
Energy: 0.35792802538490687
Energy: 0.2361686238792898
Energy: 0.34134627319566363
Energy: 0.2361686238792898
Energy: 0.34134627319390026
Energy: 0.23616862387870202
Energy: 0.34134627319742705
Energy: 0.3638110371297492
Energy: 0.4527478656177727
Energy: 0.3638110371356271
Energy: 0.4527478656183605
Energy: 0.363811037136215
Energy: 0.4527478656177727
Energy: 0.4220567635046462
Energy: 0.4105187427821923
Energy: 0.4220567635046462
Energy: 0.4105187427821923
Energy: 0.4220567635017072
Energy: 0.4105187427821923
Energy: 0.28411992988214724
Energy: 0.3538756092749863
Energy: 0.28411992988273505
Energy: 0.3538756092767496
Energy: 0.28411992988155943
Energy: 0.35387560927557404
Energy: 0.3803858293307536
Energy: 0.3177453337993768
Energy: 0.38038582933134135
Energy: 0.317745333798789
Energy: 0.38038582933134135
Energy: 0.317745333798789
Energy: 0.3697614306713116
Energy: 0.342783662275505
Energy: 0.3697614306724872
Energy: 0.3427836622766806
Energy: 0.36976143067189937
Energy: 0.3427836622766806
Energy: 0.350986497771762
Energy: 0.4014661818298384
Energy: 0.350986497771762
Energy: 0.40146618182866284
Energy: 0.3509864977700254
Energy: 0.40146618182866284
Energy: 0.23569401288003583
Energy: 0.35269642683912766
Energy: 0.23569401287886022
Energy: 0.3526964268403032
Energy: 0.23569401288003583
Energy: 0.3526964268397154
Energy: 0.3502466039032738
Energy: 0.2838840581663602
Energy: 0.3502466039032738
Energy: 0.2838840581651846
Energy: 0.3502466039032738
Energy: 0.2838840581663602
Energy: 0.2361369972269087
Energy: 0.35274822182599797
Energy: 0.2361369972269087
Energy: 0.3527482218248224
Energy: 0.2361369972269087
Energy: 0.35274822182658583
Energy: 0.35179037811143143
Energy: 0.4014570803432228
Energy: 0.35179037811201924
Energy: 0.4014570803443984
Energy: 0.35179037811201924
Energy: 0.4014570803438106
Energy: 0.36961647236864675
Energy: 0.34281794528809373
Energy: 0.3696164723692346
Energy: 0.3428179452886815
Energy: 0.36961647236864675
Energy: 0.34281794528750587
Energy: 0.3804878470677162
Energy: 0.3271315988781526
Energy: 0.38048784706712846
Energy: 0.3271315988781526
Energy: 0.3804878470683041
Energy: 0.32713159887932813
Energy: 0.28410982673864765
Energy: 0.3538968357350395
Energy: 0.2841098267409989
Energy: 0.35389683573386393
Energy: 0.28410982673923546
Energy: 0.35389683573386393
Energy: 0.42212275693465884
Energy: 0.4105165713925424
Energy: 0.42212275693465884
Energy: 0.4105165713913667
Energy: 0.4221227569352466
Energy: 0.4105165713925424

minimum gb energy = 0.23569401287886022 eV
minimum distance =  2.58315693995324 Angstroms
sigma value = 17


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

Energy: 0.4266811603178258
Energy: 0.38740466796843315
Energy: 0.42668116031865705
Energy: 0.3874046679692644
Energy: 0.42668116031865705
Energy: 0.38740466796843315
Energy: 0.3079245660912393
Energy: 0.3350707952943813
Energy: 0.3079245660912393
Energy: 0.3350707952918874
Energy: 0.3079245660912393
Energy: 0.33507079529271866
Energy: 0.3017047792223883
Energy: 0.5507902318441098
Energy: 0.30170477922321953
Energy: 0.550790231844941
Energy: 0.3017047792223883
Energy: 0.5507902318466036
Energy: 0.3336097479077071
Energy: 0.366571855874862
Energy: 0.3336097479085384
Energy: 0.3665718558756933
Energy: 0.3336097479077071
Energy: 0.366571855874862
Energy: 0.34613364062142427
Energy: 0.3628955453260777
Energy: 0.346133640620593
Energy: 0.36289554533023405
Energy: 0.3461336406222556
Energy: 0.362895545326909
Energy: 0.38792927260618504
Energy: 0.3907095194325006
Energy: 0.3879292726070164
Energy: 0.39070951943166937
Energy: 0.3879292726070164
Energy: 0.39070951943166937
Energy: 0.3474539425536196
Energy: 0.3608419719208406
Energy: 0.3474539425527883
Energy: 0.36084197192250317
Energy: 0.3474539425536196
Energy: 0.3608419719216719
Energy: 0.3332447455257493
Energy: 0.3963018142737432
Energy: 0.33324474552491795
Energy: 0.39630181427457456
Energy: 0.3332447455257493
Energy: 0.39630181427457456
Energy: 0.277235476342859
Energy: 0.37305435738544146
Energy: 0.277235476342859
Energy: 0.37305435738544146
Energy: 0.2772354763420278
Energy: 0.37305435738544146
Energy: 0.41419213880543293
Energy: 0.3076934777887863
Energy: 0.4141921388062642
Energy: 0.3076934777896176
Energy: 0.4141921388062642
Energy: 0.30769347778712375
Energy: 0.3988871386545061
Energy: 0.3174398806535529
Energy: 0.3988871386536748
Energy: 0.3174398806527216
Energy: 0.3988871386536748
Energy: 0.3174398806527216
Energy: 0.3396126022018942
Energy: 0.39198143310709427
Energy: 0.3396126022027255
Energy: 0.39198143310792555
Energy: 0.33961260220355677
Energy: 0.39198143310709427
Energy: 0.3391255262408873
Energy: 0.43943613510638074
Energy: 0.3391255262408873
Energy: 0.43943613510554946
Energy: 0.3391255262408873
Energy: 0.43943613510638074
Energy: 0.3178159546840707
Energy: 0.2743797695058475
Energy: 0.3178159546840707
Energy: 0.2743797695058475
Energy: 0.3178159546840707
Energy: 0.2743797695058475
Energy: 0.32065503647093935
Energy: 0.36921308132469516
Energy: 0.3206550364692768
Energy: 0.36921308132386393
Energy: 0.32065503647093935
Energy: 0.36921308132469516
Energy: 0.2745284422140948
Energy: 0.5073826837748019
Energy: 0.2745284422140948
Energy: 0.5073826837756331
Energy: 0.27452844221492606
Energy: 0.5073826837756331
Energy: 0.3170091897053026
Energy: 0.2748029060942297
Energy: 0.3170091897053026
Energy: 0.2748029060942297
Energy: 0.31700918970447134
Energy: 0.27480290609339836

minimum gb energy = 0.2743797695058475 eV
minimum distance =  2.51282304084045 Angstroms
sigma value = 17


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

Energy: 0.3149629948353786
Energy: 0.3665706318849315
Energy: 0.3149629948334526
Energy: 0.36657063188525246
Energy: 0.3149629948353786
Energy: 0.36657063188525246
Energy: 0.2375028000683877
Energy: 0.25411520071795735
Energy: 0.23750280006806668
Energy: 0.25411520071956234
Energy: 0.23750280006646166
Energy: 0.25411520071892035
Energy: 0.17571380892887395
Energy: 0.25409633035307166
Energy: 0.17571380892951596
Energy: 0.25409633035178764
Energy: 0.17571380892951596
Energy: 0.2540963303521086
Energy: 0.2620076060051965
Energy: 0.16273051124110854
Energy: 0.2620076060045545
Energy: 0.16273051124207155
Energy: 0.2620076060051965
Energy: 0.1627305112398245
Energy: 0.3423916898371919
Energy: 0.20482752527864084
Energy: 0.3423916898384759
Energy: 0.20482752528120887
Energy: 0.3423916898368709
Energy: 0.20482752528152987
Energy: 0.15146784134052294
Energy: 0.17817264583783995
Energy: 0.15146784134052294
Energy: 0.17817264583783995
Energy: 0.15146784134020191
Energy: 0.178172645839766
Energy: 0.3396055276023043
Energy: 0.23265070344794372
Energy: 0.3396055276045513
Energy: 0.2326507034485857
Energy: 0.33960552760201246
Energy: 0.23265070344665967
Energy: 0.26844929557030034
Energy: 0.3091056984234257
Energy: 0.2684492955699793
Energy: 0.3091056984246806
Energy: 0.2684492955693373
Energy: 0.3091056984262856
Energy: 0.24101015180986268
Energy: 0.3216217468543383
Energy: 0.2410101518092207
Energy: 0.32162174686107947
Energy: 0.2410101518092207
Energy: 0.3216217468617215
Energy: 0.17672043969113363
Energy: 0.20227788029414245
Energy: 0.17672043969145462
Energy: 0.2022778802947845
Energy: 0.17672043969049156
Energy: 0.20227788029382146
Energy: 0.24394950152746886
Energy: 0.2573074711095398
Energy: 0.2439495015293949
Energy: 0.25730747110986074
Energy: 0.24394950153099992
Energy: 0.2573074711111448
Energy: 0.18401817641089413
Energy: 0.27470362733797726
Energy: 0.18401817641217816
Energy: 0.2747036273392613
Energy: 0.18401817640896811
Energy: 0.2747036273402243
Energy: 0.28675532596095754
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Energy: 0.2867553259497223
Energy: 0.21028127322216966
Energy: 0.2867553259538954
Energy: 0.2102812732224907
Energy: 0.24831743022319017
Energy: 0.20767959160395535
Energy: 0.2483174302244742
Energy: 0.20767959160202934
Energy: 0.24831743022672126
Energy: 0.2076795916033133
Energy: 0.26946461573513325
Energy: 0.2912422868651794
Energy: 0.26946461573545416
Energy: 0.2912422868671054
Energy: 0.2694646157344912
Energy: 0.2912422868642164
Energy: 0.22913381563668145
Energy: 0.24018585834360057
Energy: 0.2291338156379655
Energy: 0.24018585834263753
Energy: 0.22913381563668145
Energy: 0.24018585834199555
Energy: 0.20148023193172548
Energy: 0.15408273822088955
Energy: 0.20148023193461456
Energy: 0.15408273821992652
Energy: 0.20148023193268852
Energy: 0.15408273821960553
Energy: 0.22777189396465405
Energy: 0.25759010204452265
Energy: 0.22777189395983893
Energy: 0.25759010204420163
Energy: 0.22777189396337003
Energy: 0.25759010204452265
Energy: 0.25669553032194337
Energy: 0.31769340000648993
Energy: 0.2566955303229064
Energy: 0.317693400009379
Energy: 0.2566955303209803
Energy: 0.31769340000584795
Energy: 0.20101789346682494
Energy: 0.19270190259132527
Energy: 0.20101789346682494
Energy: 0.19270190259132527
Energy: 0.20101789346875096
Energy: 0.16940162572161363
Energy: 0.2567517427812562
Energy: 0.3175674424929739
Energy: 0.2567517427812562
Energy: 0.31756744249843105
Energy: 0.25675174278093515
Energy: 0.317567442497147
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Energy: 0.25752552278339114
Energy: 0.22780070515793782
Energy: 0.2575255227840331
Energy: 0.22780070515761677
Energy: 0.25752552278435414
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Energy: 0.15399930070497753
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Energy: 0.2014594447934578
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Energy: 0.2292846391329495
Energy: 0.2777352211241959
Energy: 0.22928463913455455
Energy: 0.2777352211238749
Energy: 0.22928463913134448
Energy: 0.27773522112130683
Energy: 0.2695238003867009
Energy: 0.2912013121935331
Energy: 0.26952380038349083
Energy: 0.2912013121922491
Energy: 0.26952380038573787
Energy: 0.29120131219160705
Energy: 0.24848745238416886
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Energy: 0.24848745238288483
Energy: 0.20800752129885997
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Energy: 0.28736331118116965
Energy: 0.2108862393143826
Energy: 0.28736331117956465
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Energy: 0.2873633111798856
Energy: 0.21088623931470363
Energy: 0.18395892878581058
Energy: 0.27483999925084324
Energy: 0.18395892878548956
Energy: 0.27483999925116426
Energy: 0.18395892878388453
Energy: 0.2748399992505222
Energy: 0.24392755916642633
Energy: 0.2574026142299288
Energy: 0.24392755916835235
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Energy: 0.2205535724489487
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Energy: 0.19338832225970498
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Energy: 0.3216319333478346
Energy: 0.24108409272330006
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Energy: 0.24108409272394207
Energy: 0.32163193334269846
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Energy: 0.3088613130602075
Energy: 0.26837988957038567
Energy: 0.3088613130592444
Energy: 0.2683798895716697
Energy: 0.30886131305956543
Energy: 0.33940475821958116
Energy: 0.23279486530954702
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Energy: 0.232794865308905
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Energy: 0.1634307666408163
Energy: 0.15133246380206153
Energy: 0.1634307666421003
Energy: 0.1513324638039876
Energy: 0.16343076663921124
Energy: 0.34250090437401676
Energy: 0.20475240449907262
Energy: 0.3425009043749798
Energy: 0.20475240450131968
Energy: 0.3425009043736958
Energy: 0.20475240449907262
Energy: 0.26216183568760354
Energy: 0.25238642786908544
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Energy: 0.2523864278665174
Energy: 0.2621618356882455
Energy: 0.25238642786780147
Energy: 0.1756266522941276
Energy: 0.253819821876933
Energy: 0.1756266522941276
Energy: 0.253819821876612
Energy: 0.1756266522950906
Energy: 0.25381982187821706
Energy: 0.22691728957512836
Energy: 0.2539768509946243
Energy: 0.22691728957577037
Energy: 0.25397685099366124
Energy: 0.22691728957320234
Energy: 0.25397685099526623
Energy: 0.3149629948382677
Energy: 0.3665706318868575
Energy: 0.3149629948373047
Energy: 0.36657063188717853
Energy: 0.3149629948395517
Energy: 0.3665706318855735
Energy: 0.2375028000658196
Energy: 0.25032503365835623
Energy: 0.23750280006646166
Energy: 0.25032503365867725
Energy: 0.23750280006806668
Energy: 0.2503250336602823
Energy: 0.17571380892855293
Energy: 0.2540963303549977
Energy: 0.17571380892855293
Energy: 0.2540963303505036
Energy: 0.17571380893208402
Energy: 0.25409633035082463
Energy: 0.2620076060068015
Energy: 0.1627305112407875
Energy: 0.2620076060071226
Energy: 0.16273051124303456
Energy: 0.2620076060058385
Energy: 0.1627305112398245
Energy: 0.34239168983751295
Energy: 0.2048275252818509
Energy: 0.3423916898387969
Energy: 0.2048275252824929
Energy: 0.3423916898384759
Energy: 0.20482752528217188

minimum gb energy = 0.15133246380206153 eV
minimum distance =  2.47002705990227 Angstroms
sigma value = 57


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

Energy: 0.21005316626948908
Energy: 0.23997215890515913
Energy: 0.21005316626635304
Energy: 0.2399721589062045
Energy: 0.21005316627053444
Energy: 0.23997215890724985
Energy: 0.10607013697240453
Energy: 0.14662616918243843
Energy: 0.10607013697083652
Energy: 0.14662616918191573
Energy: 0.10607013697188186
Energy: 0.1466261691808704
Energy: 0.06890641966610651
Energy: 0.14421148143362453
Energy: 0.06890641966453849
Energy: 0.14421148143101115
Energy: 0.06890641966610651
Energy: 0.14421148143676057
Energy: 0.166319714500505
Energy: 0.06396481967721308
Energy: 0.16631971450102767
Energy: 0.06396481967669042
Energy: 0.16631971449789162
Energy: 0.06396481967616774
Energy: 0.1065757797926729
Energy: 0.13343658484461804
Energy: 0.10657577979110486
Energy: 0.13343658484723142
Energy: 0.1065757797921502
Energy: 0.13343658484305002
Energy: 0.05830625246255761
Energy: 0.06292503787728015
Energy: 0.05830625246151227
Energy: 0.0629250378830296
Energy: 0.058306252462034934
Energy: 0.06292503788198424
Energy: 0.1381997698855983
Energy: 0.1320558431145154
Energy: 0.13819976988821167
Energy: 0.13205584311503807
Energy: 0.1381997698855983
Energy: 0.13205584311242471
Energy: 0.1413656204941235
Energy: 0.10936199091413396
Energy: 0.14136562049307816
Energy: 0.10936199091465663
Energy: 0.14136562049464618
Energy: 0.10936199091413396
Energy: 0.10262904152566908
Energy: 0.06365235193547893
Energy: 0.10262904152671443
Energy: 0.06365235193652427
Energy: 0.1026290415230557
Energy: 0.06365235193495623
Energy: 0.15739692587978274
Energy: 0.11776796255694534
Energy: 0.15739692588344145
Energy: 0.1177679625553773
Energy: 0.15739692587769202
Energy: 0.117767962557468
Energy: 0.12451709410315244
Energy: 0.19379702576256017
Energy: 0.12451709410472046
Energy: 0.19379702576465088
Energy: 0.12451709410210708
Energy: 0.1937970257656962
Energy: 0.04361313664504648
Energy: 0.1346733591135401
Energy: 0.04361313664765985
Energy: 0.1346733591166761
Energy: 0.043613136646614516
Energy: 0.1346733591177215
Energy: 0.10922589527742575
Energy: 0.0881204793561532
Energy: 0.10922589527690306
Energy: 0.08812047935667587
Energy: 0.10922589527115363
Energy: 0.08812047935563053
Energy: 0.18820344589192395
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Energy: 0.07444525936968327
Energy: 0.17564446347029714
Energy: 0.07444525936811525
Energy: 0.17564446347552393
Energy: 0.07444525937020595
Energy: 0.17564446346977447
Energy: 0.1365411613068929
Energy: 0.09327388312624518
Energy: 0.13654116130793825
Energy: 0.09327388312519984
Energy: 0.1365411613068929
Energy: 0.09327388312572252
Energy: 0.14173162932149985
Energy: 0.09827126330352373
Energy: 0.1417316293183638
Energy: 0.0982712633045691
Energy: 0.1417316293225452
Energy: 0.09827126330561445
Energy: 0.17390742077238486
Energy: 0.1904199559395387
Energy: 0.17390742077029414
Energy: 0.19041995594215208
Energy: 0.17390742077029414
Energy: 0.1904199559400614
Energy: 0.14193662742005442
Energy: 0.1345961461743078
Energy: 0.14193662741744104
Energy: 0.1345961461696037
Energy: 0.14193662741691834
Energy: 0.13459614617012639
Energy: 0.12548144127141042
Energy: 0.05789922630046478
Energy: 0.12548144127245578
Energy: 0.05789922629837409
Energy: 0.1254814412646156
Energy: 0.057899226295760706
Energy: 0.11056019085365126
Energy: 0.15792134032047705
Energy: 0.11056019085574198
Energy: 0.15792134032099972
Energy: 0.11056019085678734
Energy: 0.15792134031838634
Energy: 0.1120815918334633
Energy: 0.1969756622258516
Energy: 0.11208159183450865
Energy: 0.19697566223525978
Energy: 0.11208159183555401
Energy: 0.19697566222532892
Energy: 0.09199685494932336
Energy: 0.034881168089695457
Energy: 0.0919968549440966
Energy: 0.034881168090218136
Energy: 0.09199685494775532
Energy: 0.034881168088650105
Energy: 0.12029476462625417
Energy: 0.2408333677637742
Energy: 0.12029476462677685
Energy: 0.2408333677642969
Energy: 0.12029476462155009
Energy: 0.240833367769001
Energy: 0.10282262787858008
Energy: 0.14313977207176304
Energy: 0.10282262787648937
Energy: 0.14313977207019501
Energy: 0.10282262787544402
Energy: 0.14313977207071768
Energy: 0.06979107210596758
Energy: 0.035103880066585866
Energy: 0.0697910721054449
Energy: 0.035103880065540514
Energy: 0.06979107209551405
Energy: 0.03510388006763121
Energy: 0.10435012097287204
Energy: 0.19631684544026057
Energy: 0.10435012097862147
Energy: 0.19631684544182862
Energy: 0.10435012097234936
Energy: 0.19631684544026057

minimum gb energy = 0.034881168088650105 eV
minimum distance =  2.36861505282632 Angstroms
sigma value = 43


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

Energy: 0.2979818676452645
Energy: 0.3140319601245303
Energy: 0.29798186764602613
Energy: 0.3140319601268152
Energy: 0.297981867646407
Energy: 0.3140319601252919
Energy: 0.18294726644670814
Energy: 0.30084656927811737
Energy: 0.18294726644670814
Energy: 0.30084656928230635
Energy: 0.18294726644785061
Energy: 0.30084656928154474
Energy: 0.15513581812485658
Energy: 0.23154654336324454
Energy: 0.15513581812333327
Energy: 0.23154654336057875
Energy: 0.1551358181237141
Energy: 0.23154654335981714
Energy: 0.25950290625708744
Energy: 0.1400843984167887
Energy: 0.25950290625670663
Energy: 0.14008439841831202
Energy: 0.25950290625594497
Energy: 0.14008439841755035
Energy: 0.2510125598730601
Energy: 0.25647057045817684
Energy: 0.2510125598722984
Energy: 0.25647057045817684
Energy: 0.2510125598722984
Energy: 0.25647057045665356
Energy: 0.1303228873817851
Energy: 0.19238480030203378
Energy: 0.13032288738140424
Energy: 0.1923848002989872
Energy: 0.13032288738254671
Energy: 0.19238480030203378
Energy: 0.2172948677908029
Energy: 0.18309624470915717
Energy: 0.21729486777671242
Energy: 0.18309624470763386
Energy: 0.2172948677877563
Energy: 0.18309624470763386
Energy: 0.29572607499633446
Energy: 0.2240215583423557
Energy: 0.29572607499519205
Energy: 0.22402155834273652
Energy: 0.2957260749982386
Energy: 0.22402155834273652
Energy: 0.10979964859654663
Energy: 0.20587708004780952
Energy: 0.10979964859578499
Energy: 0.20587708005466435
Energy: 0.10979964859502334
Energy: 0.205877080048952
Energy: 0.3063216483802338
Energy: 0.16802890777288101
Energy: 0.3063216483790913
Energy: 0.16802890777364263
Energy: 0.30632164837832965
Energy: 0.16802890777211935
Energy: 0.19349078607218548
Energy: 0.22965882676687227
Energy: 0.19349078607294717
Energy: 0.22965882676496813
Energy: 0.19349078607447046
Energy: 0.2296588267687764
Energy: 0.1527320269332675
Energy: 0.2056182594481316
Energy: 0.15273202693402915
Energy: 0.2056182594469891
Energy: 0.15273202693250584
Energy: 0.20561825944889328
Energy: 0.3041026685091787
Energy: 0.14811891083962805
Energy: 0.3041026685087979
Energy: 0.14811891084077053
Energy: 0.30410266851070195
Energy: 0.14811891083962805
Energy: 0.23305004558890594
Energy: 0.23151152739357767
Energy: 0.23305004558395523
Energy: 0.2315115273947201
Energy: 0.23305004558700182
Energy: 0.23151152739205436
Energy: 0.16299660239086833
Energy: 0.30163588412258757
Energy: 0.16299660239010666
Energy: 0.30163588412373005
Energy: 0.16299660239048747
Energy: 0.30163588412182596
Energy: 0.229559833662571
Energy: 0.128713166351604
Energy: 0.229559833662571
Energy: 0.12871316635236568
Energy: 0.22955983366561758
Energy: 0.12871316635046154
Energy: 0.247787963101594
Energy: 0.228380504832904
Energy: 0.24778796310083231
Energy: 0.22838050483328481
Energy: 0.24778796310121315
Energy: 0.2283805048317615
Energy: 0.11718495212664647
Energy: 0.2274492207792981
Energy: 0.11718495212550398
Energy: 0.22744922077967894
Energy: 0.11718495212512317
Energy: 0.22744922077967894
Energy: 0.2436380258607882
Energy: 0.156708805537644
Energy: 0.24363802586154984
Energy: 0.15670880553840566
Energy: 0.24363802586878552
Energy: 0.156708805537644
Energy: 0.26865616225134425
Energy: 0.24840024956415505
Energy: 0.2686561622502018
Energy: 0.2484002495652975
Energy: 0.2686561622502018
Energy: 0.2484002495652975
Energy: 0.14649143245449964
Energy: 0.2621665303708744
Energy: 0.1464914324518339
Energy: 0.26216653036820864
Energy: 0.14649143245335716
Energy: 0.2621665303712552
Energy: 0.2608874918024707
Energy: 0.1730643934958636
Energy: 0.2608874918001858
Energy: 0.17306439349967187
Energy: 0.26088749180056653
Energy: 0.17306439349624445
Energy: 0.3154367013535951
Energy: 0.1731604202652927
Energy: 0.3154367013524526
Energy: 0.17316042026491188
Energy: 0.3154367013532143
Energy: 0.17316042026491188
Energy: 0.2188780769871691
Energy: 0.2732123882306414
Energy: 0.21887807698793071
Energy: 0.2732123882294989
Energy: 0.21887807698678824
Energy: 0.2732123882355921
Energy: 0.19942277177780865
Energy: 0.157117921614928
Energy: 0.1994227717789511
Energy: 0.15711792161416635
Energy: 0.1994227717785703
Energy: 0.15711792161759378
Energy: 0.2801236821271874
Energy: 0.13507291396958135
Energy: 0.28012368212985317
Energy: 0.13507291397034302
Energy: 0.28012368212947236
Energy: 0.1350729139699622
Energy: 0.21089471099225243
Energy: 0.2374720283615501
Energy: 0.21089471099187163
Energy: 0.23747202836116926
Energy: 0.2263139718382229
Energy: 0.23747202836078843
Energy: 0.16555482446983855
Energy: 0.24460544898591602
Energy: 0.16555482447021938
Energy: 0.2446054489851544
Energy: 0.1655548244706002
Energy: 0.24460544898591602
Energy: 0.31490383181275866
Energy: 0.10822132657278091
Energy: 0.31490383181275866
Energy: 0.10822132657354257
Energy: 0.31490383181275866
Energy: 0.10822132657316175
Energy: 0.16030367951337035
Energy: 0.21045240229223938
Energy: 0.160303679514132
Energy: 0.2104524022926202
Energy: 0.1603036795126087
Energy: 0.21045240229300102
Energy: 0.22537074218991626
Energy: 0.25787433477215177
Energy: 0.23714056630597766
Energy: 0.2578743347710093
Energy: 0.23714056630407357
Energy: 0.25787433477139016
Energy: 0.29830305269205476
Energy: 0.09087495103993447
Energy: 0.29830305269167395
Energy: 0.09087495104069612
Energy: 0.29830305269319723
Energy: 0.09087495104031527
Energy: 0.15071007289809982
Energy: 0.25129901315856856
Energy: 0.15071007289886149
Energy: 0.25129901315856856
Energy: 0.15071007289886149
Energy: 0.2512990131589493
Energy: 0.2277319067503401
Energy: 0.2282041561153405
Energy: 0.22773190674805513
Energy: 0.22820415611495967
Energy: 0.22773190674805513
Energy: 0.22820415611419806
Energy: 0.20238353724251285
Energy: 0.14138392112628173
Energy: 0.20238353724517863
Energy: 0.14138392112628173
Energy: 0.2023835372398471
Energy: 0.14138392112590095
Energy: 0.1342858251960024
Energy: 0.2567923692173338
Energy: 0.13428582519714488
Energy: 0.25679236921695286
Energy: 0.13428582519524074
Energy: 0.25679236921581045

minimum gb energy = 0.09087495103993447 eV
minimum distance =  2.4269580212758 Angstroms
sigma value = 81


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

Energy: -0.14488514971981065
Energy: -0.12279994180954938
Energy: -0.14488514971995375
Energy: -0.12279994181051931
Energy: -0.14488514972023997
Energy: -0.12279994180716433
Energy: -0.017841858594173608
Energy: -0.1223314663391987
Energy: -0.017841858594300812
Energy: -0.12235287023001061
Energy: -0.017841858595572843
Energy: -0.12236233923980587
Energy: -0.01784189836171358
Energy: -0.12225844593770199
Energy: -0.017841898360727755
Energy: -0.12226835370376399
Energy: -0.017841898358772004
Energy: -0.12223288536373435
Energy: -0.14488514971869765
Energy: -0.12279994180689403
Energy: -0.14488514971911104
Energy: -0.12279994180870667
Energy: -0.14488514971954033
Energy: -0.12279994180829326
Energy: -0.017841858595700047
Energy: -0.12235885479195657
Energy: -0.01784185859584315
Energy: -0.12233264943541042
Energy: -0.017841858594873226
Energy: -0.12241339392609822
Energy: -0.017841898360028138
Energy: -0.12243326345177302
Energy: -0.01784189836058465
Energy: -0.12223866223235257
Energy: -0.01784189836101396
Energy: -0.1224380214606881
Energy: -0.14488514971939725
Energy: -0.12279994180772084
Energy: -0.14488514972009686
Energy: -0.12279994180926318
Energy: -0.14488514971869765
Energy: -0.12279994180870667
Energy: -0.01784185859360119
Energy: -0.12232668049712221
Energy: -0.01784185859584315
Energy: -0.12236888537801821
Energy: -0.017841858595986256
Energy: -0.12232414912648776
Energy: -0.0178418983586289
Energy: -0.12224829081749587
Energy: -0.017841898361570477
Energy: -0.12229233858853057
Energy: -0.017841898361284268
Energy: -0.1222990999306343
Energy: -0.14488514971869765
Energy: -0.12279994180702121
Energy: -0.1448851497181411
Energy: -0.12279994180899287
Energy: -0.14488514971884076
Energy: -0.12279994180716433

minimum gb energy = -0.14488514972023997 eV
minimum distance =  2.84008524342481 Angstroms
sigma value = 3


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

Energy: 0.2949894781740997
Energy: 0.20937390087426627
Energy: 0.29498947817661203
Energy: 0.20937390087677868
Energy: 0.2949894781761933
Energy: 0.20937390087635993
Energy: 0.17290487410900174
Energy: 0.25871543477468006
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Energy: 0.2587154347738426
Energy: 0.19805477222186635
Energy: 0.2579077483253458
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Energy: 0.22114418622759394
Energy: 0.25790774832995184
Energy: 0.251523245002902
Energy: 0.20327468009734098
Energy: 0.25152324500373946
Energy: 0.20327468009775976
Energy: 0.25152324500373946
Energy: 0.2032746800985972
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Energy: 0.2758554902210172
Energy: 0.19605658230509337
Energy: 0.275855490219761
Energy: 0.19605658230467465
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Energy: 0.2065707960022843
Energy: 0.2503781862895666
Energy: 0.2065707960018656
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Energy: 0.20657079600270303
Energy: 0.2503781862895666
Energy: 0.1985833327136539
Energy: 0.24331660767456034
Energy: 0.19858333271407264
Energy: 0.24331660767665395
Energy: 0.19858333271532883
Energy: 0.24331660767749144
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Energy: 0.21686413992256073
Energy: 0.19845164844548752
Energy: 0.2168641399192109
Energy: 0.19845164844297516
Energy: 0.21686413992339817
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Energy: 0.20418071495177129
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Energy: 0.22014755366231767
Energy: 0.21275379530179886
Energy: 0.22014755366231767
Energy: 0.21275379530012395
Energy: 0.22014755366106148
Energy: 0.21275379530138014
Energy: 0.17782788664222526
Energy: 0.21597384392801905
Energy: 0.17782788664180657
Energy: 0.21597384392550673
Energy: 0.17782788664222526
Energy: 0.21597384392801905
Energy: 0.20780803647862847
Energy: 0.2349318778767109
Energy: 0.2078080364773723
Energy: 0.23493187787712966
Energy: 0.20780803647067272
Energy: 0.23493187787754835
Energy: 0.19659010209023936
Energy: 0.2442599944374087
Energy: 0.19659010208940192
Energy: 0.24425999443657126
Energy: 0.19659010208856448
Energy: 0.24425999443657126
Energy: 0.12849188987978005
Energy: 0.2784567997946888
Energy: 0.12849188987936136
Energy: 0.27845679979345167
Energy: 0.12849188988061752
Energy: 0.27845679979303295
Energy: 0.2415477930475531
Energy: 0.22938065586951617
Energy: 0.24154779304671567
Energy: 0.22938065587035364
Energy: 0.24154779304880933
Energy: 0.22938065586867873
Energy: 0.18430609272981593
Energy: 0.24810842790041107
Energy: 0.18430609272814105
Energy: 0.24810842790585452
Energy: 0.18430609272479123
Energy: 0.24810842790082982
Energy: 0.1816990561153851
Energy: 0.3085703221537972
Energy: 0.1816990561158038
Energy: 0.3085703221537972
Energy: 0.18169905611622256
Energy: 0.30857032215295976
Energy: 0.16515365627990952
Energy: 0.2970884476771495
Energy: 0.16515365628032824
Energy: 0.29708844767673076
Energy: 0.1651536562794908
Energy: 0.2970884476771495

minimum gb energy = 0.12849188987936136 eV
minimum distance =  2.58509842660271 Angstroms
sigma value = 67


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

Energy: 0.2032965050466328
Energy: 0.16241519781723213
Energy: 0.2032965050484227
Energy: 0.16241519781961866
Energy: 0.2032965050472294
Energy: 0.16241519781723213
Energy: 0.1330762802284887
Energy: 0.24833010223626933
Energy: 0.13307628022729545
Energy: 0.2483301022344794
Energy: 0.13307628022729545
Energy: 0.24833010223567267
Energy: 0.15100073904690686
Energy: 0.24923535019314158
Energy: 0.1732408491244691
Energy: 0.24923535019433488
Energy: 0.17324084912327584
Energy: 0.24923535019493154
Energy: 0.1766753206163249
Energy: 0.12515300348434805
Energy: 0.176675320614535
Energy: 0.12515300348494468
Energy: 0.17667532061513164
Energy: 0.12515300348375138
Energy: 0.17181149669413398
Energy: 0.142831391461055
Energy: 0.17181149669413398
Energy: 0.14283139146045837
Energy: 0.17181149669294069
Energy: 0.14283139146284493
Energy: 0.181508415731243
Energy: 0.18420319353681835
Energy: 0.18150841573183962
Energy: 0.18420319353681835
Energy: 0.18150841573183962
Energy: 0.1842031935380116
Energy: 0.24742794018014108
Energy: 0.2031909845929361
Energy: 0.24742794018073774
Energy: 0.2031909845941294
Energy: 0.24742794018073774
Energy: 0.20319098459472598
Energy: 0.240300264358675
Energy: 0.12337358637055665
Energy: 0.24030026435628846
Energy: 0.12337358637353985
Energy: 0.24030026435748172
Energy: 0.12337358637174994
Energy: 0.23135894641148622
Energy: 0.19006733651201724
Energy: 0.23135894641088958
Energy: 0.19006733651261387
Energy: 0.23135894641267946
Energy: 0.19006733651321048
Energy: 0.2229793568802543
Energy: 0.17513896708501303
Energy: 0.22297935687846443
Energy: 0.17513896708501303
Energy: 0.22297935687965767
Energy: 0.1751389670844164
Energy: 0.2892678028941212
Energy: 0.1468863528626893
Energy: 0.2892678028923312
Energy: 0.14688635286209267
Energy: 0.28926780289292786
Energy: 0.1468863528626893
Energy: 0.22528788399581196
Energy: 0.15078150521622355
Energy: 0.22528788399521532
Energy: 0.15078150521622355
Energy: 0.2252878839946187
Energy: 0.15078150521503025
Energy: 0.22641519407874727
Energy: 0.1887661490899228
Energy: 0.22641519407755403
Energy: 0.18876614908872955
Energy: 0.22641519407755403
Energy: 0.1887661490899228
Energy: 0.2501099309658706
Energy: 0.19149930770316673
Energy: 0.25010993096766054
Energy: 0.1914993077025701
Energy: 0.2501099309664673
Energy: 0.1914993077073432
Energy: 0.16904660502012858
Energy: 0.1389408884036532
Energy: 0.16904660502072522
Energy: 0.13894088840186328
Energy: 0.16904660501953198
Energy: 0.13894088840305657
Energy: 0.1559604563617338
Energy: 0.18538076357894082
Energy: 0.1559604563629271
Energy: 0.18538076358073075
Energy: 0.15596045636113717
Energy: 0.18538076357953745
Energy: 0.1766542929183093
Energy: 0.19648309421711405
Energy: 0.17665429291890594
Energy: 0.19648309421651738
Energy: 0.17665429291890594
Energy: 0.19648309421771068
Energy: 0.17161821026659602
Energy: 0.1219474074781317
Energy: 0.17161821026898255
Energy: 0.1219474074781317
Energy: 0.17161821026659602
Energy: 0.1219474074781317
Energy: 0.17772613283898414
Energy: 0.1872077897147338
Energy: 0.17772613283958077
Energy: 0.18720778971413718
Energy: 0.17772613283958077
Energy: 0.18720778971533045
Energy: 0.18199968569140074
Energy: 0.22443130222471158
Energy: 0.18199968569140074
Energy: 0.22443130222590482
Energy: 0.18199968569140074
Energy: 0.22443130222650146
Energy: 0.1659273987650697
Energy: 0.1080982224856222
Energy: 0.16592739876208654
Energy: 0.10809822248920202
Energy: 0.1659273987585067
Energy: 0.10809822248681547
Energy: 0.1614365976508166
Energy: 0.23597658373200533
Energy: 0.16143659764843007
Energy: 0.23597658373200533
Energy: 0.16143659764962334
Energy: 0.23597658373081207
Energy: 0.0796992436246694
Energy: 0.32792174119409634
Energy: 0.07969924362347613
Energy: 0.327921741194693
Energy: 0.07969924362526605
Energy: 0.32792174119409634

minimum gb energy = 0.07969924362347613 eV
minimum distance =  2.58283708377947 Angstroms
sigma value = 33


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

Energy: 0.33562471080656703
Energy: 0.2795183418158148
Energy: 0.33562471080656703
Energy: 0.2795183418158148
Energy: 0.33562471080845957
Energy: 0.27951834181619334
Energy: 0.26130384300173337
Energy: 0.2848500699773388
Energy: 0.26130384300173337
Energy: 0.2848500699773388
Energy: 0.26130384300211185
Energy: 0.2848500699773388
Energy: 0.294724295274436
Energy: 0.28518212038440255
Energy: 0.294724295273679
Energy: 0.2851821203840241
Energy: 0.294724295273679
Energy: 0.2851821203847811
Energy: 0.3079475454846107
Energy: 0.24211778229533623
Energy: 0.3079475454846107
Energy: 0.24211778229533623
Energy: 0.3079475454872601
Energy: 0.24211778229457923
Energy: 0.3217308940275628
Energy: 0.29817759279909356
Energy: 0.32173089402718424
Energy: 0.29817759280022904
Energy: 0.3217308940283197
Energy: 0.29817759279909356
Energy: 0.3784442845258289
Energy: 0.3105111016647931
Energy: 0.3784442845277214
Energy: 0.3105111016651716
Energy: 0.3784442845258289
Energy: 0.31051110166555007
Energy: 0.2596316114487844
Energy: 0.3304498087344707
Energy: 0.2596316114506768
Energy: 0.3304498087363632
Energy: 0.25963161145256936
Energy: 0.33044980873560625
Energy: 0.4249300277570194
Energy: 0.26156531855788784
Energy: 0.42493002775815486
Energy: 0.26156531855675236
Energy: 0.4249300277577764
Energy: 0.2615653185582663
Energy: 0.25064580926605634
Energy: 0.27593352140249194
Energy: 0.2506458092675703
Energy: 0.2759335214040059
Energy: 0.25064580926681335
Energy: 0.27593352140249194
Energy: 0.42232377385645475
Energy: 0.31866908500206104
Energy: 0.4223237738549752
Energy: 0.33389395188652227
Energy: 0.4223237738538398
Energy: 0.33389395188652227
Energy: 0.2823036691430901
Energy: 0.3044674414974363
Energy: 0.28230366912684923
Energy: 0.30446744149705784
Energy: 0.28230366913517607
Energy: 0.30446744149705784
Energy: 0.27246808049753213
Energy: 0.25394711512643914
Energy: 0.2724680804960182
Energy: 0.2539471151241681
Energy: 0.27246808049980303
Energy: 0.25394711512378965
Energy: 0.34672983388052786
Energy: 0.2715085383318689
Energy: 0.34672983388696227
Energy: 0.27150853832732696
Energy: 0.34672983388885475
Energy: 0.2715085383314904
Energy: 0.35342304740804914
Energy: 0.3040942235149614
Energy: 0.35342304740804914
Energy: 0.30409422351458293
Energy: 0.35342304740842767
Energy: 0.30409422351798937
Energy: 0.30183124892261376
Energy: 0.2811688215057109
Energy: 0.3018312489290482
Energy: 0.2811688215045754
Energy: 0.30183124892602026
Energy: 0.2811688215057109
Energy: 0.3079670865945511
Energy: 0.38847972782324014
Energy: 0.3079670865945511
Energy: 0.38847972782361856
Energy: 0.3079670865934156
Energy: 0.38847972782437556
Energy: 0.2988077792152048
Energy: 0.34017813875791536
Energy: 0.2988077792155833
Energy: 0.34017813875791536
Energy: 0.2988077792170973
Energy: 0.34017813875867237
Energy: 0.3110751509194901
Energy: 0.37982880800382124
Energy: 0.31107515092100413
Energy: 0.37982880800344276
Energy: 0.3110751509198686
Energy: 0.3798288080041997
Energy: 0.26860921828091294
Energy: 0.47314156356202314
Energy: 0.2686092182839409
Energy: 0.4731415635635371
Energy: 0.26860921828015594
Energy: 0.47314156356202314
Energy: 0.3471008539775111
Energy: 0.330856815450885
Energy: 0.3471008539775111
Energy: 0.33085681545164203
Energy: 0.3471008539775111
Energy: 0.33085681545050655
Energy: 0.3737981822720046
Energy: 0.31728271925111307
Energy: 0.3737981822720046
Energy: 0.31728271925149154
Energy: 0.37379818227124767
Energy: 0.31728271925149154
Energy: 0.3000315272365692
Energy: 0.3127719126965905
Energy: 0.3000315272342982
Energy: 0.31277191269583354
Energy: 0.3000315272354337
Energy: 0.312771912696212
Energy: 0.26146725745552085
Energy: 0.30071264850505547
Energy: 0.26146725745324984
Energy: 0.30071264850429846
Energy: 0.26146725745400684
Energy: 0.3007126485058125
Energy: 0.3303148244968994
Energy: 0.30176602228418264
Energy: 0.3303148244953854
Energy: 0.3017660222838041
Energy: 0.3303148244908435
Energy: 0.30176602228342564
Energy: 0.2725414101071513
Energy: 0.2530711937678862
Energy: 0.2725414101082868
Energy: 0.25307119376750775
Energy: 0.2725414101075298
Energy: 0.25307119376940024
Energy: 0.2818605468989164
Energy: 0.28479972025275424
Energy: 0.2818605468958884
Energy: 0.2847997202519972
Energy: 0.2818605468992949
Energy: 0.2847997202531327
Energy: 0.2599688822207126
Energy: 0.3131379740432867
Energy: 0.2599688822203341
Energy: 0.31313797404366517
Energy: 0.25996888221882014
Energy: 0.3131379740444222
Energy: 0.3861206501893886
Energy: 0.27391908338365145
Energy: 0.3861206501890102
Energy: 0.27391908338289445
Energy: 0.38612065019014563
Energy: 0.27391908338365145
Energy: 0.3475305799541468
Energy: 0.3300759156137933
Energy: 0.3475305799537683
Energy: 0.33007591561341476
Energy: 0.3475305799530113
Energy: 0.3300759156137933
Energy: 0.2603703414455246
Energy: 0.3305742638750505
Energy: 0.260370341449688
Energy: 0.3305742638742935
Energy: 0.26037034144741705
Energy: 0.33057426387580746
Energy: 0.3778271129502695
Energy: 0.319063122280033
Energy: 0.3778271129506479
Energy: 0.31906312227889755
Energy: 0.37782711295140503
Energy: 0.319063122280033
Energy: 0.3357991242229929
Energy: 0.29923236115724217
Energy: 0.3357991242218574
Energy: 0.2992323611606486
Energy: 0.3357991242226144
Energy: 0.2992323611579991
Energy: 0.30702395895296597
Energy: 0.44894609929113494
Energy: 0.307023958953723
Energy: 0.44894609929227036
Energy: 0.30702395895410145
Energy: 0.44894609929151336
Energy: 0.3005493484839573
Energy: 0.2846619020242524
Energy: 0.3005493484805509
Energy: 0.28466190202198144
Energy: 0.3005493484828219
Energy: 0.28466190202500935
Energy: 0.25227025580539286
Energy: 0.3126958306277896
Energy: 0.2522702558084208
Energy: 0.31269583063233153
Energy: 0.25227025580274337
Energy: 0.3126958306262756
Energy: 0.34703212861095123
Energy: 0.2802767067517142
Energy: 0.34703212861322214
Energy: 0.2802767067536066
Energy: 0.3470321286124652
Energy: 0.2802767067524711
Energy: 0.27166702395077685
Energy: 0.2989569192780781
Energy: 0.27166702395153386
Energy: 0.29895691927959206
Energy: 0.2716670239511554
Energy: 0.2989569192780781

minimum gb energy = 0.24211778229457923 eV
minimum distance =  2.57696587645356 Angstroms
sigma value = 41


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

Energy: 0.38230429584284686
Energy: 0.303056574156882
Energy: 0.38230429584181336
Energy: 0.303056574156882
Energy: 0.38230429584078
Energy: 0.30305657415894877
Energy: 0.3731916194244099
Energy: 0.3437565292829859
Energy: 0.3731916194244099
Energy: 0.3437565292819525
Energy: 0.3731916194223431
Energy: 0.3437565292829859
Energy: 0.3605994022218939
Energy: 0.3448243406134713
Energy: 0.3796094903902513
Energy: 0.3448243406134713
Energy: 0.36742566403008975
Energy: 0.3448243406134713
Energy: 0.3909320453658362
Energy: 0.4164335179215547
Energy: 0.3909320453658362
Energy: 0.41643351792052136
Energy: 0.3909320453637694
Energy: 0.41643351792258815
Energy: 0.4487882527920585
Energy: 0.31331827521331046
Energy: 0.4487882527920585
Energy: 0.31331827521434386
Energy: 0.448788252791025
Energy: 0.31331827521434386
Energy: 0.47840930119889674
Energy: 0.3732426449768674
Energy: 0.47840930119889674
Energy: 0.3732426449768674
Energy: 0.47840930119889674
Energy: 0.3732426449768674
Energy: 0.3852513211239431
Energy: 0.26702673916894304
Energy: 0.38525132112600996
Energy: 0.26702673916894304
Energy: 0.3852513211280768
Energy: 0.2670267391710098
Energy: 0.43780896839115124
Energy: 0.3309279361625574
Energy: 0.4378089683921847
Energy: 0.33092793616049065
Energy: 0.4378089683901179
Energy: 0.33092793616152405
Energy: 0.31248171985513384
Energy: 0.3159877636691144
Energy: 0.31248171985616724
Energy: 0.3159877636691144
Energy: 0.31248171985513384
Energy: 0.3159877636691144
Energy: 0.38245511077180355
Energy: 0.32450974209796457
Energy: 0.38245511077180355
Energy: 0.32450974209899797
Energy: 0.38245511077180355
Energy: 0.3245097421000313
Energy: 0.3729969756354743
Energy: 0.34489813586274026
Energy: 0.3729969756354743
Energy: 0.3448981358648071
Energy: 0.3729969756354743
Energy: 0.3448981358637737
Energy: 0.35324234412881345
Energy: 0.3439985030845074
Energy: 0.35324234412881345
Energy: 0.34399850308554086
Energy: 0.35324234412881345
Energy: 0.34399850308554086
Energy: 0.3796533841010686
Energy: 0.4328975046996765
Energy: 0.3796533841010686
Energy: 0.4328975047007099
Energy: 0.3796533841000352
Energy: 0.4328975047007099
Energy: 0.4462551544650469
Energy: 0.3386938480650826
Energy: 0.44625515446709024
Energy: 0.338693848066116
Energy: 0.44625515446608033
Energy: 0.338693848066116

minimum gb energy = 0.26702673916894304 eV
minimum distance =  2.47297567335589 Angstroms
sigma value = 11


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

Energy: 0.531581350149921
Energy: 0.534906702959496
Energy: 0.5315813501508291
Energy: 0.5349067029586086
Energy: 0.531581350149921
Energy: 0.5349067029599499
Energy: 0.5805578811002052
Energy: 0.49536537814047443
Energy: 0.580557881101567
Energy: 0.4953653781400205
Energy: 0.5805578811006591
Energy: 0.4953653781395665
Energy: 0.4733155023993873
Energy: 0.530691977146804
Energy: 0.4576585817740301
Energy: 0.530691977146804
Energy: 0.47331550239984127
Energy: 0.530691977146804
Energy: 0.5372947536560172
Energy: 0.4419033902489435
Energy: 0.5372947536555631
Energy: 0.4419033902475816
Energy: 0.5372947536560172
Energy: 0.44190339024803554
Energy: 0.5551311584975954
Energy: 0.476083275707673
Energy: 0.5551311584975954
Energy: 0.476083275707673
Energy: 0.5551311584980495
Energy: 0.4760832757072191
Energy: 0.5900877621183842
Energy: 0.5014841111287504
Energy: 0.5900877621179303
Energy: 0.5014841111292043
Energy: 0.5900877621179303
Energy: 0.5014841111287504
Energy: 0.5149523712379118
Energy: 0.44193634303680984
Energy: 0.5149523712383659
Energy: 0.4419363430363559
Energy: 0.514952371237004
Energy: 0.44193634303726387
Energy: 0.5000843082276712
Energy: 0.5012806979174437
Energy: 0.5000843082281251
Energy: 0.5012806979183516
Energy: 0.5000843082281251
Energy: 0.5012806979183516
Energy: 0.48396734122818147
Energy: 0.5399645715408486
Energy: 0.48396734122818147
Energy: 0.5399645715417566
Energy: 0.4839673412272735
Energy: 0.5399645715417566
Energy: 0.49620854568342193
Energy: 0.49032910618466896
Energy: 0.49620854568251394
Energy: 0.49032910618512293
Energy: 0.49620854568342193
Energy: 0.49032910618512293
Energy: 0.5613645368759816
Energy: 0.5054117824736026
Energy: 0.5613645368768896
Energy: 0.5054117824731488
Energy: 0.5613645368759816
Energy: 0.5054117824731488
Energy: 0.5155690980728623
Energy: 0.4944076117568213
Energy: 0.5155690980728623
Energy: 0.4944076117577292
Energy: 0.5155690980724084
Energy: 0.49440761175636727
Energy: 0.5451430311467866
Energy: 0.4735786837332886
Energy: 0.5451430311467866
Energy: 0.4735786837323807
Energy: 0.5451430311476945
Energy: 0.4735786837328347
Energy: 0.49008311664154025
Energy: 0.5014212529459879
Energy: 0.4900831166406323
Energy: 0.501421252946442
Energy: 0.4900831166410862
Energy: 0.501421252946896
Energy: 0.47685952518081565
Energy: 0.5111692841548182
Energy: 0.4768595251839935
Energy: 0.5111692841552721
Energy: 0.47685952518172364
Energy: 0.5111692841548182
Energy: 0.5173146322270754
Energy: 0.44767599396165236
Energy: 0.5173146322266213
Energy: 0.44767599396210633
Energy: 0.5173146322275294
Energy: 0.44767599396210633
Energy: 0.549870591981153
Energy: 0.49898871214851626
Energy: 0.5498705919816069
Energy: 0.49898871214806223
Energy: 0.5498705919820609
Energy: 0.49898871214806223
Energy: 0.5406440718134438
Energy: 0.514267471293336
Energy: 0.5406440718134438
Energy: 0.5142674712956059
Energy: 0.5406440718129898
Energy: 0.514267471292882
Energy: 0.4720307425252019
Energy: 0.4396398075655735
Energy: 0.47203074252656385
Energy: 0.4396398075646656
Energy: 0.4720307425206621
Energy: 0.4396398075651196
Energy: 0.5454677332716069
Energy: 0.48552520730428006
Energy: 0.5454677332720609
Energy: 0.48552520730428006
Energy: 0.545467733270699
Energy: 0.4855252073038261
Energy: 0.5018693422374667
Energy: 0.4713481918276784
Energy: 0.5018693422379206
Energy: 0.4713481918272244
Energy: 0.5018693422374667
Energy: 0.4713481918254292
Energy: 0.5372090585412939
Energy: 0.5343647574611354
Energy: 0.5372090585426557
Energy: 0.5343647574602275
Energy: 0.5372090585422018
Energy: 0.5343647574597735
Energy: 0.4884200659473483
Energy: 0.494780619740925
Energy: 0.4884200659468944
Energy: 0.4947806197400171
Energy: 0.4884200659459863
Energy: 0.49478061974183296
Energy: 0.5703576641816098
Energy: 0.5205473896060674
Energy: 0.5703576641811557
Energy: 0.5205473896056134
Energy: 0.5703576641816098
Energy: 0.5205473896065212
Energy: 0.4891803990917984
Energy: 0.5234592708541026
Energy: 0.4891803990913445
Energy: 0.5234592708554644
Energy: 0.4891803990917984
Energy: 0.5234592708541026
Energy: 0.48161888654151297
Energy: 0.5009080913230723
Energy: 0.481618886541059
Energy: 0.5009080913244343
Energy: 0.481618886541059
Energy: 0.5009080913235263
Energy: 0.4805557308198879
Energy: 0.4806801894166192
Energy: 0.4805557308194339
Energy: 0.4806801894143493
Energy: 0.4805557308198879
Energy: 0.4806801894148033
Energy: 0.5273964990497381
Energy: 0.5141544273150968
Energy: 0.5273964990506461
Energy: 0.5141544273155506
Energy: 0.5273964990492842
Energy: 0.5141544273160046
Energy: 0.4885199059673945
Energy: 0.49401498059902255
Energy: 0.4885199059664866
Energy: 0.49401498059902255
Energy: 0.48851990596784844
Energy: 0.49401498059902255
Energy: 0.4899681054985954
Energy: 0.5523608715837882
Energy: 0.4899681054976874
Energy: 0.5523608715833342
Energy: 0.4899681054985954
Energy: 0.5523608715837882
Energy: 0.5083839751203448
Energy: 0.5918737661135733
Energy: 0.508383975118983
Energy: 0.5918737661135733
Energy: 0.508383975119891
Energy: 0.5918737661140274

minimum gb energy = 0.4396398075646656 eV
minimum distance =  2.52718289381351 Angstroms
sigma value = 57


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

Energy: 0.5139298386446974
Energy: 0.41948551932782907
Energy: 0.5139298386446974
Energy: 0.4194855193286369
Energy: 0.5139298386455053
Energy: 0.4194855193286369
Energy: 0.4549252496825478
Energy: 0.40799622752779624
Energy: 0.4549252496809321
Energy: 0.40799622752779624
Energy: 0.45492524968174
Energy: 0.407996227529412
Energy: 0.4510796011274753
Energy: 0.3883624598751536
Energy: 0.45107960112828316
Energy: 0.38836245987596146
Energy: 0.451079601129091
Energy: 0.3883624598751536
Energy: 0.44122403436072627
Energy: 0.5778978652840977
Energy: 0.44122403436072627
Energy: 0.6139901844614676
Energy: 0.4412240343615342
Energy: 0.5389396570988039
Energy: 0.4511294583543352
Energy: 0.38839349055461697
Energy: 0.45112945835352736
Energy: 0.3883934905538091
Energy: 0.451129458355143
Energy: 0.3883934905538091
Energy: 0.4549012399307137
Energy: 0.41338663723703867
Energy: 0.4549012399307137
Energy: 0.42674459295271766
Energy: 0.45490123992990583
Energy: 0.39989149068003416
Energy: 0.5139298386446974
Energy: 0.41948551932782907
Energy: 0.5139298386446974
Energy: 0.4194855193270213
Energy: 0.5139298386446974
Energy: 0.41948551932782907
Energy: 0.4549252496825478
Energy: 0.40799622752698844
Energy: 0.4549252496825478
Energy: 0.40799622752698844
Energy: 0.45492524968174
Energy: 0.40799622752698844
Energy: 0.4510796011298988
Energy: 0.38836245987434576
Energy: 0.4510796011307067
Energy: 0.3883624598751536
Energy: 0.4510796011307067
Energy: 0.3883624598751536
Energy: 0.4412240343615342
Energy: 0.5662999907326585
Energy: 0.44122403436072627
Energy: 0.5662999907326585
Energy: 0.44122403436234203
Energy: 0.5662999907318507
Energy: 0.45112945835595086
Energy: 0.38839349055461697
Energy: 0.45112945835595086
Energy: 0.3883934905538091
Energy: 0.45112945835595086
Energy: 0.3883934905538091
Energy: 0.4549012399315215
Energy: 0.39989149068084207
Energy: 0.4549012399315215
Energy: 0.3998914906816499
Energy: 0.4549012399315215
Energy: 0.3998914906816499
Energy: 0.5139298386455053
Energy: 0.41948551932782907
Energy: 0.5139298386455053
Energy: 0.4194855193270213
Energy: 0.5139298386446974
Energy: 0.41948551932782907
Energy: 0.45492524968174
Energy: 0.40799622752698844
Energy: 0.45492524968174
Energy: 0.40799622752779624
Energy: 0.45492524968174
Energy: 0.40799622752698844
Energy: 0.4510796011307067
Energy: 0.38836245987434576
Energy: 0.4510796011298988
Energy: 0.3883624598767693
Energy: 0.4510796011307067
Energy: 0.3883624598751536
Energy: 0.4412240343615342
Energy: 0.5662999907334664
Energy: 0.4412240343615342
Energy: 0.5662999907334664
Energy: 0.4412240343599185
Energy: 0.5662999907334664
Energy: 0.45112945835595086
Energy: 0.3883934905538091
Energy: 0.4511294583567588
Energy: 0.38839349055461697
Energy: 0.4511294583583744
Energy: 0.3883934905530012

minimum gb energy = 0.38836245987434576 eV
minimum distance =  2.5155942734617 Angstroms
sigma value = 9


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

Energy: 0.45032904246167327
Energy: 0.3967306129109061
Energy: 0.45032904246035405
Energy: 0.39673061291024647
Energy: 0.45032904246167327
Energy: 0.39673061291024647
Energy: 0.4211723716146149
Energy: 0.42928470795253904
Energy: 0.42117237161857257
Energy: 0.42928470795187934
Energy: 0.421172371617913
Energy: 0.42928470795253904
Energy: 0.5270730888210357
Energy: 0.47634681309283483
Energy: 0.5270730888203761
Energy: 0.47634681309283483
Energy: 0.5270730888183972
Energy: 0.47634681309217525
Energy: 0.43645904548798975
Energy: 0.4341042959284994
Energy: 0.43645904548798975
Energy: 0.43410429592915895
Energy: 0.4364590454873301
Energy: 0.4341042959284994
Energy: 0.5296034373444864
Energy: 0.41774457359773276
Energy: 0.5296034373458056
Energy: 0.41774457359707323
Energy: 0.5296034373458056
Energy: 0.4177445735983924
Energy: 0.4767103159467867
Energy: 0.44273664835706805
Energy: 0.47671031594810603
Energy: 0.44273664835706805
Energy: 0.4767103159487656
Energy: 0.44273664835706805
Energy: 0.41753561808129097
Energy: 0.3708329878529462
Energy: 0.41753561808063133
Energy: 0.3708329878529462
Energy: 0.41753561808063133
Energy: 0.3708329878522867
Energy: 0.4999700081501934
Energy: 0.41191932067621234
Energy: 0.499970008150853
Energy: 0.41191932067753156
Energy: 0.4999700081501934
Energy: 0.41191932067687187
Energy: 0.5461406602237794
Energy: 0.4160625796564293
Energy: 0.5461406602231197
Energy: 0.4160625796564293
Energy: 0.5461406602231197
Energy: 0.41606257965576976
Energy: 0.4162948057905948
Energy: 0.44958771376176465
Energy: 0.4162948057912544
Energy: 0.44958771376176465
Energy: 0.4162948057905948
Energy: 0.44958771376242435
Energy: 0.4669786950402443
Energy: 0.46825647596246905
Energy: 0.4669786950428827
Energy: 0.4682564759618094
Energy: 0.46697869504222306
Energy: 0.46825647595983066
Energy: 0.39352206712786536
Energy: 0.44642322546470414
Energy: 0.39352206712786536
Energy: 0.4464232254653638
Energy: 0.39352206712852494
Energy: 0.4464232254633849
Energy: 0.4252469841276132
Energy: 0.474030606588379
Energy: 0.4252469841256343
Energy: 0.4740306065864001
Energy: 0.4252469841262939
Energy: 0.4740306065896982
Energy: 0.5709070328813276
Energy: 0.4590029535353748
Energy: 0.5709070328813276
Energy: 0.4590029535360344
Energy: 0.5709070328800082
Energy: 0.4590029535340555
Energy: 0.35981479758553014
Energy: 0.4608824146983777
Energy: 0.35981479758487045
Energy: 0.46088241469903735
Energy: 0.3598147975861898
Energy: 0.46088241469903735
Energy: 0.43439578334231105
Energy: 0.3991805293485821
Energy: 0.43439578334297063
Energy: 0.39918052934990134
Energy: 0.4343957833442899
Energy: 0.3991805293485821
Energy: 0.4484809492449204
Energy: 0.3995877512149301
Energy: 0.448480949242282
Energy: 0.39958775121558976
Energy: 0.448480949242282
Energy: 0.3995877512129513
Energy: 0.3769368629921795
Energy: 0.4998065621515748
Energy: 0.3769368629921795
Energy: 0.49980656215025554
Energy: 0.37693686299283913
Energy: 0.4998065621476171
Energy: 0.4683307323162094
Energy: 0.45922460990607944
Energy: 0.4683307323155499
Energy: 0.45922460990673913
Energy: 0.4683307323162094
Energy: 0.45922460990607944
Energy: 0.4212186963663504
Energy: 0.6067255748423405
Energy: 0.42121869636569076
Energy: 0.6067255748410213
Energy: 0.42121869636437154
Energy: 0.6067255748403616
Energy: 0.3908986362846601
Energy: 0.44630716514570556
Energy: 0.3908986362840005
Energy: 0.4463071651450459
Energy: 0.39089863628334093
Energy: 0.4463071651450459

minimum gb energy = 0.35981479758487045 eV
minimum distance =  2.50467870447323 Angstroms
sigma value = 27


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

Energy: 0.9300379473966788
Energy: 0.6122994393357746
Energy: 0.9300379473966788
Energy: 0.6122994393352186
Energy: 0.9300379473972348
Energy: 0.6122994393352186
Energy: 0.39398599016175756
Energy: 0.43795033205398287
Energy: 0.3939859901612015
Energy: 0.43795033205398287
Energy: 0.3939859901600895
Energy: 0.43795033205509487
Energy: 0.46729242905291113
Energy: 0.368561980752249
Energy: 0.4672924290523552
Energy: 0.368561980752249
Energy: 0.4672924290523552
Energy: 0.36856198075391694
Energy: 0.41010373622404933
Energy: 0.41294895867515774
Energy: 0.4101037362257173
Energy: 0.4129489586757137
Energy: 0.41010373622182533
Energy: 0.41294895867738174
Energy: 0.49209949305169
Energy: 0.3496433729322555
Energy: 0.49209949305002193
Energy: 0.3496433729328115
Energy: 0.49209949305113393
Energy: 0.3496433729328115
Energy: 0.5037132185928952
Energy: 0.7616752477732444
Energy: 0.5037132185923392
Energy: 0.7616752477726884
Energy: 0.5037132185940071
Energy: 0.7616752477726884
Energy: 0.43926559397075465
Energy: 0.3933890645707817
Energy: 0.43926559396908665
Energy: 0.39338906457411776
Energy: 0.43926559397075465
Energy: 0.39338906457244976
Energy: 0.412667515718942
Energy: 0.465722770745899
Energy: 0.41266751572005406
Energy: 0.465722770747011
Energy: 0.41266751571949806
Energy: 0.46572277074478696
Energy: 0.3499058719265963
Energy: 0.41193691986426784
Energy: 0.3499058719277083
Energy: 0.4119369198664917
Energy: 0.3499058719271523
Energy: 0.4119369198631558
Energy: 0.5726129392928023
Energy: 0.5129632248590797
Energy: 0.5726129392939143
Energy: 0.5129632248596357
Energy: 0.5726129392933584
Energy: 0.5129632248590797
Energy: 0.8648629316801224
Energy: 0.5961421768494124
Energy: 0.8648629316812345
Energy: 0.5961421768488564
Energy: 0.8648629316840143
Energy: 0.5961421768494124
Energy: 0.39362519155266384
Energy: 0.4313549948849031
Energy: 0.39362519155099585
Energy: 0.4313549948849031
Energy: 0.39362519155099585
Energy: 0.43135499488545914
Energy: 0.46613776374133997
Energy: 0.41386126932833184
Energy: 0.4661377637424519
Energy: 0.41386126932999984
Energy: 0.46613776374189586
Energy: 0.4138612693277758
Energy: 0.4511990157531865
Energy: 0.3514745503867387
Energy: 0.4511990157531865
Energy: 0.3514745503872947
Energy: 0.4511990157526305
Energy: 0.35147455038507064
Energy: 0.5047800964331269
Energy: 0.5712510789381359
Energy: 0.504780096433683
Energy: 0.571251078938692
Energy: 0.5047800964331269
Energy: 0.5712510789392479
Energy: 0.439458937862389
Energy: 0.42056582926027736
Energy: 0.439458937862389
Energy: 0.42056582925916536
Energy: 0.439458937861833
Energy: 0.4205658292597214
Energy: 0.43181099563920733
Energy: 0.4655627146521713
Energy: 0.4318109956375393
Energy: 0.4655627146521713
Energy: 0.4318109956414314
Energy: 0.4655627146527273
Energy: 0.4136864864261498
Energy: 0.4208298345790558
Energy: 0.41368648642726186
Energy: 0.4208298345790558
Energy: 0.41368648642837386
Energy: 0.4208298345790558
Energy: 0.3408867140852861
Energy: 0.49104885805944615
Energy: 0.3408867140852861
Energy: 0.49104885805944615
Energy: 0.3408867140858421
Energy: 0.49104885806055815
Energy: 0.9300379473950108
Energy: 0.6122994393346625
Energy: 0.9300379473933427
Energy: 0.6122994393352186
Energy: 0.9300379473944548
Energy: 0.6122994393352186
Energy: 0.3939859901606455
Energy: 0.4379503320506468
Energy: 0.3939859901600895
Energy: 0.4379503320500908
Energy: 0.3939859901612015
Energy: 0.4379503320512028
Energy: 0.46729242905179913
Energy: 0.36856198075391694
Energy: 0.4672924290523552
Energy: 0.36856198075280494
Energy: 0.46729242905291113
Energy: 0.36856198075280494
Energy: 0.4101037362234933
Energy: 0.4129489586746018
Energy: 0.4101037362234933
Energy: 0.41294895867404574
Energy: 0.41010373622182533
Energy: 0.41294895867404574
Energy: 0.49209949305224593
Energy: 0.34964337293169945
Energy: 0.49209949305113393
Energy: 0.3496433729311435
Energy: 0.49209949305113393
Energy: 0.34964337293169945
Energy: 0.5037132185934511
Energy: 0.7616752477738004
Energy: 0.5037132185940071
Energy: 0.7616752477732444
Energy: 0.5037132185934511
Energy: 0.7616752477738004

minimum gb energy = 0.3408867140852861 eV
minimum distance =  2.53032812311635 Angstroms
sigma value = 19


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

Energy: 0.6598713189752538
Energy: 0.5305997831053354
Energy: 0.6598713189757338
Energy: 0.5305997831053354
Energy: 0.6598713189752538
Energy: 0.5305997831058153
Energy: 0.5285719920325431
Energy: 0.4965956607201279
Energy: 0.5285719920325431
Energy: 0.49659566072060785
Energy: 0.5285719920320632
Energy: 0.496595660719168
Energy: 0.5483146132352934
Energy: 0.5287431852181058
Energy: 0.6124444509072885
Energy: 0.5287431852181058
Energy: 0.54520178851781
Energy: 0.5287431852185858
Energy: 0.5260727061866491
Energy: 0.4873365333903391
Energy: 0.5260727061866491
Energy: 0.48733653338985916
Energy: 0.526072706187609
Energy: 0.48733653339129895
Energy: 0.4884755391039666
Energy: 0.5238351333741528
Energy: 0.48847553910300684
Energy: 0.523835133373193
Energy: 0.48847553910300684
Energy: 0.5238351333736729
Energy: 0.4470638153232339
Energy: 0.6375636902092874
Energy: 0.4470638153227539
Energy: 0.6375636902092874
Energy: 0.44706381532227396
Energy: 0.6375636902088074
Energy: 0.4887860571101926
Energy: 0.6126578830321961
Energy: 0.4887860571101926
Energy: 0.612657883033636
Energy: 0.48878605710923273
Energy: 0.612657883033156
Energy: 0.46839355006117367
Energy: 0.5724839861606177
Energy: 0.46839355006117367
Energy: 0.5724839861620575
Energy: 0.46839355006117367
Energy: 0.5724839861606177
Energy: 0.4242040017412328
Energy: 0.5215955885863528
Energy: 0.4242040017412328
Energy: 0.5215955885863528
Energy: 0.4242040017412328
Energy: 0.5215955885877926
Energy: 0.540031782152512
Energy: 0.5070003710339265
Energy: 0.540031782152512
Energy: 0.5070003710344064
Energy: 0.540031782152512
Energy: 0.5070003710348863
Energy: 0.4789936611892033
Energy: 0.5583830299609881
Energy: 0.4789936611892033
Energy: 0.5583830299609881
Energy: 0.4789936611901632
Energy: 0.558383029961468
Energy: 0.525877431744778
Energy: 0.5273390662913954
Energy: 0.525877431745258
Energy: 0.5273390662913954
Energy: 0.525877431745258
Energy: 0.527339066293315
Energy: 0.5620262446834922
Energy: 0.523888791270876
Energy: 0.5620262446839721
Energy: 0.5238887912703961
Energy: 0.5620262446839721
Energy: 0.5238887912703961
Energy: 0.5878720379861527
Energy: 0.4256206959811099
Energy: 0.5878720379866327
Energy: 0.4256206959815898
Energy: 0.5878720379866327
Energy: 0.4256206959811099
Energy: 0.543339021039021
Energy: 0.5095692491097908
Energy: 0.5433390210409408
Energy: 0.5095692491112306
Energy: 0.5433390210395009
Energy: 0.5095692491117105
Energy: 0.4936082571065332
Energy: 0.524455998302166
Energy: 0.4936082571055734
Energy: 0.524455998302166
Energy: 0.4936082571065332
Energy: 0.5244559983016861
Energy: 0.4864695749019545
Energy: 0.48699137195048453
Energy: 0.48646957490051473
Energy: 0.48699137195000464
Energy: 0.4864695749019545
Energy: 0.48699137194856484
Energy: 0.5500807795385168
Energy: 0.5391314114828104
Energy: 0.5500807795380369
Energy: 0.5391314114823305
Energy: 0.550080779535659
Energy: 0.5391314114823305
Energy: 0.4264322589209553
Energy: 0.544872951962369
Energy: 0.4264322589209553
Energy: 0.5448729519628489
Energy: 0.4264322589209553
Energy: 0.544872951962369
Energy: 0.5102244858270079
Energy: 0.5012005074553956
Energy: 0.5102244858274879
Energy: 0.5012005074558755
Energy: 0.5102244858284477
Energy: 0.5012005074544357
Energy: 0.41930419855673345
Energy: 0.5158746926684643
Energy: 0.4193041985557736
Energy: 0.5158746926694242
Energy: 0.419304198553374
Energy: 0.5158746926689443
Energy: 0.4236315081748895
Energy: 0.5736249855849678
Energy: 0.4236315081748895
Energy: 0.5736249855840078
Energy: 0.4236315081748895
Energy: 0.5736249855849678
Energy: 0.5575286772226601
Energy: 0.502868247627321
Energy: 0.5575286772221801
Energy: 0.502868247626841
Energy: 0.5575286772226601
Energy: 0.502868247627321
Energy: 0.5091972320209517
Energy: 0.4770222367591925
Energy: 0.5091972320199919
Energy: 0.4770222367591925
Energy: 0.5091972320214316
Energy: 0.4770222367591925
Energy: 0.4797048441507667
Energy: 0.5273117951061684
Energy: 0.4797048441512466
Energy: 0.5273117951056885
Energy: 0.4797048441507667
Energy: 0.5273117951052085
Energy: 0.5716546807869337
Energy: 0.5486477846955438
Energy: 0.5716546807883734
Energy: 0.5486477846950639
Energy: 0.5716546807883734
Energy: 0.5486477846950639
Energy: 0.4229328771554578
Energy: 0.40905058470802885
Energy: 0.42293287715593764
Energy: 0.4090505847085088
Energy: 0.42293287715641764
Energy: 0.40905058470802885
Energy: 0.5104753703046745
Energy: 0.5432539904145935
Energy: 0.5104753703051544
Energy: 0.5432539904155533
Energy: 0.5104753703061142
Energy: 0.5432539904141135
Energy: 0.5022117309306704
Energy: 0.5443065992684675
Energy: 0.5022117309301904
Energy: 0.5443065992694273
Energy: 0.5022117309301904
Energy: 0.5443065992689473

minimum gb energy = 0.40905058470802885 eV
minimum distance =  2.51729807862753 Angstroms
sigma value = 101


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

Energy: 0.5530556294769311
Energy: 0.40612846776853256
Energy: 0.5530556294786187
Energy: 0.40612846776853256
Energy: 0.5530556294769311
Energy: 0.40612846776853256
Energy: 0.575609131539153
Energy: 0.43110765965733644
Energy: 0.575609131539575
Energy: 0.43110765965733644
Energy: 0.575609131539575
Energy: 0.43110765965733644
Energy: 0.37794222969654484
Energy: 0.4655903586492278
Energy: 0.3779422296961229
Energy: 0.46559035865007165
Energy: 0.37794222969654484
Energy: 0.4655903586492278
Energy: 0.3529864020003171
Energy: 0.5170423166538758
Energy: 0.35298640200158277
Energy: 0.5571083796017561
Energy: 0.3529864020003171
Energy: 0.5170423166534539
Energy: 0.4371309535204291
Energy: 0.412455360185627
Energy: 0.4371309535200072
Energy: 0.41245536018225193
Energy: 0.43713095352085096
Energy: 0.41245536018436135
Energy: 0.3768314374215951
Energy: 0.5435697197828288
Energy: 0.37683143742117314
Energy: 0.5435697197824069
Energy: 0.37683143742243885
Energy: 0.5435697197819849
Energy: 0.4100076875721728
Energy: 0.4678688752708081
Energy: 0.4100076875725948
Energy: 0.4678688752691206
Energy: 0.4100076875730167
Energy: 0.46786887526996435
Energy: 0.3577113517645249
Energy: 0.6007705389911124
Energy: 0.3577113517598841
Energy: 0.6248974020761272
Energy: 0.3577113517619936
Energy: 0.5739932567106877
Energy: 0.3771477424386596
Energy: 0.4618937486919451
Energy: 0.37714774243823773
Energy: 0.4618937486927889
Energy: 0.37714774243823773
Energy: 0.46189374869236693
Energy: 0.43727786193141654
Energy: 0.4834274594339621
Energy: 0.4372778619301509
Energy: 0.4834274594335401
Energy: 0.437277861929729
Energy: 0.4834274594331183
Energy: 0.3519276143265325
Energy: 0.38607306090308685
Energy: 0.3519276143269544
Energy: 0.38607306090350874
Energy: 0.3519276143269544
Energy: 0.38607306090308685
Energy: 0.5974603962708122
Energy: 0.46076910220660844
Energy: 0.5974603962708122
Energy: 0.4659549636859295
Energy: 0.5974603962708122
Energy: 0.4659549636859295
Energy: 0.37751644757911246
Energy: 0.3880887968149942
Energy: 0.37751644757869063
Energy: 0.3880887968137286
Energy: 0.37751644757784686
Energy: 0.3880887968149942
Energy: 0.47283440268913424
Energy: 0.4877041250824448
Energy: 0.47283440268913424
Energy: 0.4566456711660086
Energy: 0.47283440268913424
Energy: 0.45664567116516486
Energy: 0.541662532241679
Energy: 0.4569196080644155
Energy: 0.5416625322412572
Energy: 0.45691960806357174
Energy: 0.541662532241679
Energy: 0.4569196080644155
Energy: 0.3761981712616864
Energy: 0.4657172197527729
Energy: 0.376198171262952
Energy: 0.4657172197544604
Energy: 0.37619817126210825
Energy: 0.46571721975319474
Energy: 0.35199361631620196
Energy: 0.49588383386545487
Energy: 0.35199361631873327
Energy: 0.49588383386545487
Energy: 0.3519936163174676
Energy: 0.49588383386545487
Energy: 0.3518506932889845
Energy: 0.5162058027378785
Energy: 0.35185069329025015
Energy: 0.5162058027387222
Energy: 0.35185069329067203
Energy: 0.5162058027374566
Energy: 0.3787907668280509
Energy: 0.4623732243150402
Energy: 0.3787907668284728
Energy: 0.4623732243154621
Energy: 0.3787907668284728
Energy: 0.4623732243141964
Energy: 0.44237799466326594
Energy: 0.5830423047066471
Energy: 0.44237799466326594
Energy: 0.583042304707069
Energy: 0.4423779946636879
Energy: 0.5830423047066471
Energy: 0.35905689302086574
Energy: 0.3808713658294412
Energy: 0.359056893020022
Energy: 0.38087136583070685
Energy: 0.35905689302086574
Energy: 0.3808713658285974
Energy: 0.511367707115328
Energy: 0.5459494330264956
Energy: 0.511367707118703
Energy: 0.5459494330264956
Energy: 0.511367707118703
Energy: 0.5459494330260738
Energy: 0.4462925174699422
Energy: 0.38221007026307274
Energy: 0.4462925174699422
Energy: 0.38221007026433845
Energy: 0.4462925174699422
Energy: 0.38221007026265086
Energy: 0.35306398840307873
Energy: 0.3537977327391635
Energy: 0.3530639884035006
Energy: 0.35379773273831966
Energy: 0.3530639884035006
Energy: 0.3537977327387416
Energy: 0.48805111137499224
Energy: 0.5779371304076373
Energy: 0.4880511113741485
Energy: 0.5779371304080592
Energy: 0.488051111375836
Energy: 0.5779371304076373
Energy: 0.37590162715784076
Energy: 0.5458603054136494
Energy: 0.375901627156997
Energy: 0.5458603054153369
Energy: 0.37590162715952824
Energy: 0.5458603054136494
Energy: 0.47315013177986076
Energy: 0.3600264299538491
Energy: 0.47315013177861426
Energy: 0.36002642995342726
Energy: 0.47315013177986076
Energy: 0.36002642995511475
Energy: 0.5389483987721718
Energy: 0.385565012998888
Energy: 0.5389483987717499
Energy: 0.3855650129993099
Energy: 0.5389483987725937
Energy: 0.385565012998888
Energy: 0.3538912800435206
Energy: 0.5456925032222814
Energy: 0.35389128004478615
Energy: 0.5456925032231251
Energy: 0.35389128004478615
Energy: 0.5456925032231251
Energy: 0.35186771673040923
Energy: 0.6142274396257728
Energy: 0.351867716730831
Energy: 0.614227439624929
Energy: 0.35186771672956535
Energy: 0.6142274396245072
Energy: 0.3522137453353332
Energy: 0.34912778005998846
Energy: 0.35221374533617694
Energy: 0.3491277800595666
Energy: 0.3522137453353332
Energy: 0.3491277800608322
Energy: 0.4731348213410907
Energy: 0.5458743433058589
Energy: 0.4731348213415125
Energy: 0.5458743433058589
Energy: 0.4731348213410907
Energy: 0.5458743433054369
Energy: 0.5117898153629866
Energy: 0.3818262045190187
Energy: 0.5117898153629866
Energy: 0.38182620451817495
Energy: 0.5117898153634085
Energy: 0.38182620451817495

minimum gb energy = 0.3491277800595666 eV
minimum distance =  2.55374380648029 Angstroms
sigma value = 33


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

Energy: -0.1559518959703298
Energy: 0.11885050091315463
Energy: -0.1559518959703298
Energy: 0.11885050091247304
Energy: -0.15595189597066086
Energy: 0.11885050091350516
Energy: -0.15480853241887213
Energy: 1.0444559819766281
Energy: -0.1548085324192032
Energy: 1.0444559819762775
Energy: -0.15480853241955375
Energy: 1.044455981976959
Energy: 0.11911918979707034
Energy: 1.9540018926426328
Energy: 0.781248938137253
Energy: 1.9540018926429639
Energy: 0.7812489381348576
Energy: 1.954001892643665
Energy: -0.15480853242023532
Energy: 1.0444559819773098
Energy: -0.15480853241955375
Energy: 1.044455981976959
Energy: -0.15480853241990428
Energy: 1.044455981976959

minimum gb energy = -0.15595189597066086 eV
minimum distance =  2.73703738101569 Angstroms
sigma value = 1