Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.882650256156921
cohesive_energy=3.880282732726341
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7940372859215e-19, 2.49059959931934e-19, 3.04448808345948e-19, 3.5054022575285995e-19, 3.8937698736101997e-19, 4.22655798225834e-19, 4.5148536457803e-19, 4.76625118142124e-19, 4.98618196797042e-19, 5.1806061025063195e-19, 5.351942871746279e-19, 5.50177843055796e-19, 5.632163565032879e-19, 5.74481260416942e-19, 5.841183528704519e-19, 5.92249399288002e-19, 5.9919002846649e-19, 6.05316751914906e-19, 6.102338320046519e-19, 6.14223251823312e-19, 6.175381552790579e-19, 6.19846891808652e-19, 6.211991288877479e-19, 6.21641329638732e-19, 6.21165483178434e-19, 6.19620984903258e-19, 6.1681397144049e-19, 6.125089228249319e-19, 6.06422253792366e-19, 5.982159050730179e-19, 5.874765150953159e-19, 5.742681709246199e-19, 5.5766641664311195e-19, 5.36772431159118e-19, 5.10663360731454e-19, 4.78184036007006e-19, 4.383026552334779e-19, 3.8972305751396396e-19, 3.29320998412164e-19, 2.5402830967396797e-19, 1.59806705093379e-19, 4.1228490887395196e-20, -1.0856605220245438e-19, -2.99964315947382e-19, -5.45843955260826e-19, -8.640762891890759e-19, -1.2881323897930258e-18, -1.86313916414592e-18, -2.6623369127178e-18, -3.81120971166018e-18, -5.529800499886619e-18, -8.23842429556068e-18, -1.2845611380758399e-17, -2.15878881841794e-17]
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: 0.011767037397906351
Energy: 0.29759881128086046
Energy: 0.2981064366818568
Energy: 0.2982526308602767
Energy: 0.2978975607415842
Energy: 0.011925285951383102
Energy: 0.29759881156527046
Energy: -0.3013914042598264
Energy: 0.29858960460910045
Energy: 0.29801825334914384
Energy: 0.29769140233437713
Energy: 0.29822075355567657
Energy: 0.29810643679466187
Energy: 0.2985896046115117
Energy: -0.2881041471584749
Energy: 0.012523011071082007
Energy: 0.2978323733693133
Energy: 0.29777219977833636
Energy: 0.29825263086123577
Energy: 0.29801825334719845
Energy: 0.012523011071082007
Energy: 0.011948295188705995
Energy: 0.2974539656276905
Energy: 0.2984038531403932
Energy: 0.2978975607439953
Energy: 0.2976914023348429
Energy: 0.2978323333783273
Energy: 0.2974539655900979
Energy: -0.2874278527669768
Energy: 0.29782191748435566
Energy: 0.011925285951383102
Energy: 0.29822073304801255
Energy: 0.2977742617206535
Energy: 0.2984038531423111
Energy: 0.2978219177726017
Energy: 0.011826654694289765

minimum gb energy = -0.3013914042598264 eV
minimum distance =  2.49568540457406 Angstroms
sigma value = 1


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

Energy: 1.4816604911054014
Energy: 1.3881900493704529
Energy: 1.3885640415514051
Energy: 1.3880760801316447
Energy: 1.3882782274839045
Energy: 1.2326470716935214
Energy: 1.4873316575942128
Energy: 1.2625127534461924
Energy: 1.3328728962446008
Energy: 1.3944897797253895
Energy: 1.3397020819548608
Energy: 1.3234905566341928
Energy: 1.4856834215288128
Energy: 1.3407792435879917
Energy: 1.2639802351055578
Energy: 1.4457928584991622
Energy: 1.3396544187927595
Energy: 1.3319705967176911
Energy: 1.5913461547426686
Energy: 1.3888448540160205
Energy: 1.2521086880036065
Energy: 1.4530136089588088
Energy: 1.3261037797948727
Energy: 1.389493047869064
Energy: 1.4890901241579535
Energy: 1.3221491814950257
Energy: 1.320590182700248
Energy: 1.3866004716119122
Energy: 1.2634686592879933
Energy: 1.3260343885898744
Energy: 1.4870269291451372
Energy: 1.2238808860571864
Energy: 1.2234467523209296
Energy: 1.3930776528687643
Energy: 1.2305035082937554
Energy: 1.223586369456763
Energy: 1.4864839008022466
Energy: 1.2230862094730832
Energy: 1.225023646924939
Energy: 1.2207086757766188
Energy: 1.2277241196359145
Energy: 1.2235037418323573
Energy: 1.487188811895214
Energy: 1.4072333017273275
Energy: 1.3374410958135114
Energy: 1.3933507958167912
Energy: 1.2329138102684987
Energy: 1.3987852387596627
Energy: 1.4844656951753756
Energy: 1.2242784592599716
Energy: 1.2241346194314398
Energy: 1.3312797568079318
Energy: 1.226491826414929
Energy: 1.359738785101377
Energy: 1.483705256002748
Energy: 1.2229275897988998
Energy: 1.223075712668776
Energy: 1.331278203798247
Energy: 1.2261333725140897
Energy: 1.2207505896509812
Energy: 1.4871704716459302
Energy: 1.335084590035489
Energy: 1.3302340659082212
Energy: 1.3899830528141441
Energy: 1.337298319123401
Energy: 1.392007983599629
Energy: 1.5908618047184169
Energy: 1.330803336854664
Energy: 1.2319506139554948
Energy: 1.4147262517109909
Energy: 1.3364521593744478
Energy: 1.333297236523914
Energy: 1.489144154415802
Energy: 1.3303734337522106
Energy: 1.2318033252050744
Energy: 1.4167382928397987
Energy: 1.3384401771594971
Energy: 1.332408530455629
Energy: 1.486325884899446
Energy: 1.3289362781051322
Energy: 1.3156067571159558
Energy: 1.3809384269387142
Energy: 1.332429898847529
Energy: 1.3245530444542646
Energy: 1.4807379252821555
Energy: 1.3415824550468542
Energy: 1.3863157712356402
Energy: 1.3929549940565304
Energy: 1.3267555245998306
Energy: 1.2515899512175337
Energy: 1.4825066108085638
Energy: 1.337105682243453
Energy: 1.3381980858897886
Energy: 1.3144748372366226
Energy: 1.334863483578922
Energy: 1.3237089233320645
Energy: 1.4865077688279253
Energy: 1.3299889329264833
Energy: 1.399268020682333
Energy: 1.3908319959563884
Energy: 1.2255433344788926
Energy: 1.3318172600741123
Energy: 1.5966718326025655
Energy: 1.2290012346254504
Energy: 1.2236197437017722
Energy: 1.2239711191958116
Energy: 1.223521241785641
Energy: 1.2237634157191015
Energy: 1.6010943902858674
Energy: 1.2289605154171095
Energy: 1.356430154947639
Energy: 1.4030161765736728
Energy: 1.2244004426136181
Energy: 1.2228595530116795
Energy: 1.48625859011025
Energy: 1.2254899907831813
Energy: 1.3973236247081255
Energy: 1.396409619528778
Energy: 1.2244659609146473
Energy: 1.3285332413858584
Energy: 1.5937382080923457
Energy: 1.2259292294991837
Energy: 1.2205200668560823
Energy: 1.373852190383933
Energy: 1.2228359381297467
Energy: 1.2228913313160845
Energy: 1.485611123902626
Energy: 1.2241906032137309
Energy: 1.2239346452575084
Energy: 1.409131490140775
Energy: 1.2246404887536617
Energy: 1.332126383137635
Energy: 1.4834641518114775
Energy: 1.2635734881196323
Energy: 1.3321606119707294
Energy: 1.3261269714625095
Energy: 1.3403748413046523
Energy: 1.323610393145018

minimum gb energy = 1.2205200668560823 eV
minimum distance =  2.29911373451722 Angstroms
sigma value = 33


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

Energy: 1.5744507059170763
Energy: 1.5442923448153751
Energy: 1.5443105374333161
Energy: 1.545259955165314
Energy: 1.5442874581816366
Energy: 1.3070483595602747
Energy: 1.5720352984728905
Energy: 1.3459561535025544
Energy: 1.5127072731213915
Energy: 1.5763450967720907
Energy: 1.5147424307815651
Energy: 1.3998088029908162
Energy: 1.574504069512464
Energy: 1.347754183163492
Energy: 1.4020313983886212
Energy: 1.5782968650236588
Energy: 1.3506369172093322
Energy: 1.3997291278579205
Energy: 1.7928775678444868
Energy: 1.3953604021131514
Energy: 1.3588539271937172
Energy: 1.5704732431422646
Energy: 1.3947467882060214
Energy: 1.402259197818825
Energy: 1.5746495807526157
Energy: 1.3979312091297562
Energy: 1.5142982361665858
Energy: 1.5727561374251107
Energy: 1.3989294706220348
Energy: 1.4047438331430753
Energy: 1.5745014229270085
Energy: 1.2743080883356384
Energy: 1.2712891601111562
Energy: 1.5751232028878874
Energy: 1.2753419242391342
Energy: 1.273071746678087
Energy: 1.574169632283136
Energy: 1.2728490400346701
Energy: 1.2728652084039567
Energy: 1.2817665215444467
Energy: 1.2741028818031088
Energy: 1.2730281450436682
Energy: 1.577647984707081
Energy: 1.5144017922400839
Energy: 1.5440952760973197
Energy: 1.5767003886446291
Energy: 1.2770362591627862
Energy: 1.5135195511240807
Energy: 1.5707367418155918
Energy: 1.3932003479931339
Energy: 1.3519880205390236
Energy: 1.3891481953633162
Energy: 1.3552593729002897
Energy: 1.5148500241991798
Energy: 1.575963304869761
Energy: 1.3505158740436853
Energy: 1.341740041407475
Energy: 1.6082990907070709
Energy: 1.3465674859764991
Energy: 1.289722215026239
Energy: 1.573465453711744
Energy: 1.551088078309169
Energy: 1.3502166513509413
Energy: 1.5740142263503512
Energy: 1.398058912809006
Energy: 1.509794470977485
Energy: 1.5739617364033498
Energy: 1.4975893376894829
Energy: 1.5152681283715665
Energy: 1.5666883444243755
Energy: 1.5163433901652879
Energy: 1.493897870341725
Energy: 1.6393828669453896
Energy: 1.4971552785958848
Energy: 1.5152482414395179
Energy: 1.5643660172283986
Energy: 1.4954819904811454
Energy: 1.4920604591072752
Energy: 1.580957090379278
Energy: 1.5852880779283425
Energy: 1.3511215743042704
Energy: 1.5741762141793016
Energy: 1.3979837844080927
Energy: 1.58277816146
Energy: 1.5770818263924151
Energy: 1.277831531672873
Energy: 1.2785812775091447
Energy: 1.570811305042114
Energy: 1.284122429457566
Energy: 1.2778998822253311
Energy: 1.6181416410729275
Energy: 1.2777720201523275
Energy: 1.2786459098727851
Energy: 1.3399041991809748
Energy: 1.2848480437320797
Energy: 1.6182508190415914
Energy: 1.582479789201608
Energy: 1.56128619192064
Energy: 1.4011602958808669
Energy: 1.573729390565813
Energy: 1.283654935507265
Energy: 1.5619752879395763
Energy: 1.5798068552567308
Energy: 1.2774867148312645
Energy: 1.2781509864378318
Energy: 1.2760407471262702
Energy: 1.2804899725242924
Energy: 1.2827914178635442
Energy: 1.5707422909689057
Energy: 1.2777757286317655
Energy: 1.277730733430099
Energy: 1.6584562440147927
Energy: 1.2808264114063856
Energy: 1.2770414052942114
Energy: 1.5835160736094618
Energy: 1.5148373660135295
Energy: 1.3372435803491562
Energy: 1.5738642296854435
Energy: 1.3474603365322437
Energy: 1.5466684614014676
Energy: 1.6350286265756595
Energy: 1.5444218225499662
Energy: 1.4169521309169
Energy: 1.5684338495221273
Energy: 1.4895344726203947
Energy: 1.5454366283693237
Energy: 1.5760517883112963
Energy: 1.5147065702931604
Energy: 1.3419107762845541
Energy: 1.5678813859538894
Energy: 1.5156422014970963
Energy: 1.5125596489487365
Energy: 1.5741278557436749
Energy: 1.4010022761836154
Energy: 1.3415048234525146
Energy: 1.5734575667742898
Energy: 1.396134884971846
Energy: 1.5146416767032433
Energy: 1.5700032683695675
Energy: 1.3938421774861725
Energy: 1.3998798224836104
Energy: 1.3927765690709721
Energy: 1.3944561216821794
Energy: 1.2984208704830917
Energy: 1.5740343787825606
Energy: 1.4479577295116361
Energy: 1.3975639029013633
Energy: 1.6578829342309767
Energy: 1.3950728470411469
Energy: 1.514164634614514
Energy: 1.5760029079428566
Energy: 1.2744190567673908
Energy: 1.2736225296117651
Energy: 1.5743965964629985
Energy: 1.2758919692621309
Energy: 1.5434594107554267
Energy: 1.6972702681819134
Energy: 1.2724935043864285
Energy: 1.273018063700511
Energy: 1.4923672806192014
Energy: 1.2741703811652232
Energy: 1.272631189257274
Energy: 1.5759673260104599
Energy: 1.2748167300244269
Energy: 1.5137492149114127
Energy: 1.576823279102224
Energy: 1.2770951822062317
Energy: 1.5137817282712385
Energy: 1.615326353733059
Energy: 1.3566977488159022
Energy: 1.514197972576404
Energy: 1.5705096846178668
Energy: 1.352453404335696
Energy: 1.3521564921469411
Energy: 1.5728231688591847
Energy: 1.3951219296991286
Energy: 1.287846858948281
Energy: 1.301309928273156
Energy: 1.393884759481561
Energy: 1.3961860747346586
Energy: 1.574154625423446
Energy: 1.3539965270260494
Energy: 1.5152612829717877
Energy: 1.573213275255375
Energy: 1.2802801503875432
Energy: 1.3503021085188727
Energy: 1.5699129407110937
Energy: 1.515366762173095
Energy: 1.5156279364277696
Energy: 1.5754848353506141
Energy: 1.5167441619890654
Energy: 1.5249615604575582
Energy: 1.5648620772869861
Energy: 1.5004599156054346
Energy: 1.5141284795665932
Energy: 1.5504777703677872
Energy: 1.516472023769047
Energy: 1.4093571918031869
Energy: 1.6174588068688531
Energy: 1.3413785801682576
Energy: 1.5133998251336158
Energy: 1.584494409697245
Energy: 1.5148468036160259
Energy: 1.3483492859042316
Energy: 1.5741497996359424
Energy: 1.2867199124145885
Energy: 1.2780051029427415
Energy: 1.5545248661942939
Energy: 1.278336536050735
Energy: 1.3497738833043098
Energy: 1.7924974765002697
Energy: 1.2848559048304629
Energy: 1.2777305082301778
Energy: 1.5561283970224602
Energy: 1.277368059989247
Energy: 1.2766357447639036
Energy: 1.5728714564975437
Energy: 1.3956131770517197
Energy: 1.5643636812397002
Energy: 1.5826387632463756
Energy: 1.5824704946515786
Energy: 1.5701849485616528
Energy: 1.5751071931519511
Energy: 1.2845612114299017
Energy: 1.2775993532567582
Energy: 1.5713296692015521
Energy: 1.277063385148684
Energy: 1.2768572813074137
Energy: 1.5765150491825972
Energy: 1.2829891392556367
Energy: 1.2778825133839413
Energy: 1.5639570206813285
Energy: 1.278093380814567
Energy: 1.3523944350806667
Energy: 1.5766174203041938
Energy: 1.3444425583510573
Energy: 1.5145440061918456
Energy: 1.577465850314785
Energy: 1.5159138184842151
Energy: 1.406313571525621
Energy: 1.5749269788259288
Energy: 1.4931976176518067
Energy: 1.491471806379663
Energy: 1.534744612785025
Energy: 1.4945646128365055
Energy: 1.3080793796236982

minimum gb energy = 1.2712891601111562 eV
minimum distance =  2.28541073529633 Angstroms
sigma value = 51


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

Energy: 3.0878170606242765
Energy: 1.46630079562581
Energy: 1.467242145113674
Energy: 1.4660654562903908
Energy: 1.4677103691937674
Energy: 1.2917446576969867
Energy: 1.71251785339946
Energy: 1.2717925033721702
Energy: 1.4678894959083053
Energy: 1.714405178233477
Energy: 1.4713846339847456
Energy: 1.4703150615638259
Energy: 1.713247182757066
Energy: 1.468580507043867
Energy: 1.2745411153956785
Energy: 1.711883434720282
Energy: 1.4660488921095356
Energy: 1.4716265567156035
Energy: 1.7117155923213834
Energy: 1.4689500085517497
Energy: 1.467966127060193
Energy: 1.5080508690104295
Energy: 1.4690734842094042
Energy: 1.470392828767658
Energy: 1.7140917478646598
Energy: 1.4702420258448103
Energy: 1.4690919228005377
Energy: 1.712913966263792
Energy: 1.2644057475420087
Energy: 1.4701888544759616
Energy: 1.714112937508107
Energy: 1.2799305404236274
Energy: 1.4671195511666268
Energy: 1.7140266733732215
Energy: 1.2775894352461212
Energy: 1.281389832205358
Energy: 1.7138155050379356
Energy: 1.28109414992583
Energy: 1.2746440409524256
Energy: 1.290264989232315
Energy: 1.280778670117959
Energy: 1.2806039089259595
Energy: 1.713826161641839
Energy: 1.4679343863111456
Energy: 1.4678309796681144
Energy: 1.7138908352259425
Energy: 1.2827975370696383
Energy: 1.467041241098224
Energy: 1.5741824092528527
Energy: 1.4650163883001452
Energy: 1.4688538044583028
Energy: 1.4661591045406752
Energy: 1.4675401007966193
Energy: 1.5724127350915718
Energy: 1.5746476770547393
Energy: 1.469350942009667
Energy: 1.469085955994467
Energy: 1.7132761721128982
Energy: 1.468240680121765
Energy: 1.2911535746909482
Energy: 1.7158755235619716
Energy: 1.46779045381194
Energy: 1.4712907248122409
Energy: 1.7142249559545129
Energy: 1.4716792927731575
Energy: 1.4702786416216858
Energy: 1.7135920629745987
Energy: 1.5117406638544395
Energy: 1.4652958103497944
Energy: 1.5099500246012558
Energy: 1.470793549885526
Energy: 1.4708112524094084
Energy: 1.71435068696361
Energy: 1.4672961917123803
Energy: 1.4657388631529886
Energy: 1.5067776449138321
Energy: 1.470691766592472
Energy: 1.4704371966771475
Energy: 1.7158775692993293
Energy: 1.4657137325856722
Energy: 1.4723147610384475
Energy: 1.7144942286722844
Energy: 1.471221874757727
Energy: 1.46518258368433
Energy: 1.7128088105513544
Energy: 1.2787935791057992
Energy: 1.2810850799190074
Energy: 1.6350438929391198
Energy: 1.2808862617186205
Energy: 1.279756207847932
Energy: 1.7134814607709732
Energy: 1.2813217058149036
Energy: 1.2806995734468245
Energy: 1.2875741597947945
Energy: 1.2806142927346311
Energy: 1.4687982937650208
Energy: 1.7129451802391111
Energy: 1.4703526597031042
Energy: 1.4661715897564338
Energy: 1.7140436916242177
Energy: 1.4700978365630213
Energy: 1.4713326614547855
Energy: 1.572895263547103
Energy: 1.4654502647255323
Energy: 1.4684941289953934
Energy: 1.4706935600137023
Energy: 1.470618940845759
Energy: 1.2912061202044023

minimum gb energy = 1.2644057475420087 eV
minimum distance =  2.28826107511491 Angstroms
sigma value = 19


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

Energy: 1.735602724626153
Energy: 1.7067528479525989
Energy: 1.706967365160471
Energy: 1.6807092622440625
Energy: 1.7067184486771196
Energy: 1.6431916842352046
Energy: 1.7389085475213728
Energy: 1.4711998833032311
Energy: 1.7066021038833383
Energy: 1.7378177768823002
Energy: 1.611537309531437
Energy: 1.472706589563668
Energy: 1.7537718786940932
Energy: 1.4692095965961554
Energy: 1.4865561415695476
Energy: 1.7367414149290175
Energy: 1.4658573898459761
Energy: 1.466994933404884
Energy: 1.7534502376294312
Energy: 1.4718784573995827
Energy: 1.4650658192226549
Energy: 1.61121312661838
Energy: 1.4649218344612909
Energy: 1.4651289240596939
Energy: 1.7538426023011258
Energy: 1.4679049206272379
Energy: 1.6117920450211927
Energy: 1.7377688240856708
Energy: 1.4919616221882608
Energy: 1.4653679657294376
Energy: 1.7534908740629285
Energy: 1.4631415513721113
Energy: 1.6135341681410251
Energy: 1.737173350174891
Energy: 1.2642409423181113
Energy: 1.4553761141208568
Energy: 1.7537519447988594
Energy: 1.464946142964636
Energy: 1.2905156928299457
Energy: 1.2950095547909224
Energy: 1.4650266008616009
Energy: 1.4639980723757344
Energy: 1.7541020485943064
Energy: 1.4653070458787176
Energy: 1.6168339145683117
Energy: 1.7376917446635902
Energy: 1.2419942682288592
Energy: 1.4668407488749629
Energy: 1.7281248216978395
Energy: 1.5962140183028901
Energy: 1.6826234725482319
Energy: 1.7382962575902932
Energy: 1.6833155082950313
Energy: 1.4685219890433272
Energy: 1.7423616569569813
Energy: 1.6817372505668995
Energy: 1.7083906014459693
Energy: 1.7076501789257421
Energy: 1.7087068705457442
Energy: 1.5056773725624566
Energy: 1.7396257362177134
Energy: 1.4697058189105838
Energy: 1.6876769716692857
Energy: 1.6802795303984142
Energy: 1.6137285492169784
Energy: 1.4712583132462733
Energy: 1.7536587177118796
Energy: 1.258791104993566
Energy: 1.2209696466567903
Energy: 1.5827586402175617
Energy: 1.2587314934173561
Energy: 1.4567187750369925
Energy: 1.7320439495596454
Energy: 1.2669359941193286
Energy: 1.2669246454572267
Energy: 1.5808817705035787
Energy: 1.2672133274183572
Energy: 1.2562223104568815
Energy: 1.7535256307890457
Energy: 1.267883092878599
Energy: 1.472511962117933
Energy: 1.7541310800032548
Energy: 1.4646360990960627
Energy: 1.6109014841111435
Energy: 1.739159773116549
Energy: 1.6810017326479296
Energy: 1.4681582109320395
Energy: 1.7313906812288151
Energy: 1.6154800533653906
Energy: 1.6805440340652558
Energy: 1.7530596857214495
Energy: 1.709407729265528
Energy: 1.6412836917641884
Energy: 1.7252900000922113
Energy: 1.6818808738052136
Energy: 1.7098090748551606
Energy: 1.735896913830655
Energy: 1.6144322207919848
Energy: 1.4739935173027188
Energy: 1.7999575480798145
Energy: 1.4669446019156123
Energy: 1.7061365343908983
Energy: 1.742570056263101
Energy: 1.4657754680774266
Energy: 1.4706193521401076
Energy: 1.75341373988706
Energy: 1.467603357603027
Energy: 1.465372760374168
Energy: 1.7434232319544916
Energy: 1.4649440440830677
Energy: 1.4662253984934546
Energy: 1.466215630715247
Energy: 1.4662865023265175
Energy: 1.4893376628929018
Energy: 1.7357498880263036
Energy: 1.6121781209146724
Energy: 1.4713433536643332
Energy: 1.753816487395911
Energy: 1.223055368371528
Energy: 1.6129353578336794
Energy: 1.7299856088461254
Energy: 1.4567580752458056
Energy: 1.458852817260116
Energy: 1.462988063841641
Energy: 1.4611942193143581
Energy: 1.610779221789563
Energy: 1.7338654070904267
Energy: 1.4617944632044961
Energy: 1.4653183624393895
Energy: 1.6785808137282645
Energy: 1.4667210289708705
Energy: 1.2968002601193114
Energy: 1.7372580604895191
Energy: 1.614973558909705
Energy: 1.4674150552549503
Energy: 1.7382370547861872
Energy: 1.4686822328788767
Energy: 1.7060997038409673
Energy: 1.7535157129805923
Energy: 1.6801331721089947
Energy: 1.5020901755517007
Energy: 1.7284069318445605
Energy: 1.6810332724406207
Energy: 1.678214896997543
Energy: 1.8489624911726015
Energy: 1.6812633988804653
Energy: 1.2505507824668547
Energy: 1.7286052580763231
Energy: 1.6015649715467761
Energy: 1.679912917138539
Energy: 1.7530837232211947
Energy: 1.468380274863736
Energy: 1.4682235767765528
Energy: 1.7528605591320616
Energy: 1.4643690525126447
Energy: 1.6795055348112244
Energy: 1.8237010986497642
Energy: 1.2667756718498022
Energy: 1.2673678745204848
Energy: 1.6780236028889657
Energy: 1.2357983328596072
Energy: 1.2529254103294942
Energy: 1.7541079486803692
Energy: 1.2628668676383572
Energy: 1.2526600963782126
Energy: 1.2866825341173163
Energy: 1.1943896233130387
Energy: 1.4673119800049086
Energy: 1.7391050979100195
Energy: 1.472321129179038
Energy: 1.6119074559606859
Energy: 1.754351666013138
Energy: 1.6125269155255995
Energy: 1.4692491075074199
Energy: 1.7233201357824088
Energy: 1.6065405033000932
Energy: 1.6853542773664596
Energy: 1.7078917602263117
Energy: 1.6822194004660038
Energy: 1.640184408628317

minimum gb energy = 1.1943896233130387 eV
minimum distance =  2.27270298202441 Angstroms
sigma value = 27


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

Energy: 2.229936139148067
Energy: 1.476331719773918
Energy: 1.478127469259857
Energy: 1.734573544121259
Energy: 1.4779400768514372
Energy: 1.1124219446779988
Energy: 1.732150980952687
Energy: 1.0460477542295792
Energy: 1.4822457443675012
Energy: 1.7311682462462317
Energy: 1.0598898598691668
Energy: 1.4825740739741353
Energy: 1.7351752049959068
Energy: 1.4865632806992441
Energy: 1.0442872484005346
Energy: 1.7333018057636078
Energy: 1.042011696250319
Energy: 1.4853484004118231
Energy: 1.719675622915253
Energy: 1.478174617867055
Energy: 1.4777298038991156
Energy: 1.4767187452987371
Energy: 1.478105876491559
Energy: 1.4761046481149411
Energy: 1.7342029795237448
Energy: 1.0214415207450642
Energy: 1.0490433024730186
Energy: 1.7337495018016622
Energy: 1.0440345480789082
Energy: 1.47645659286373
Energy: 1.7361434212272686
Energy: 1.479473792407949
Energy: 1.049887619083451
Energy: 1.7342968313985383
Energy: 1.0347992256812346
Energy: 1.4796815179500669
Energy: 1.7343526228211106
Energy: 1.478215481192176
Energy: 1.124108279506926
Energy: 1.1160350527819827
Energy: 1.4767631210725427
Energy: 1.4779117907318229
Energy: 1.7309285321698888
Energy: 1.4808382524169186
Energy: 1.0451246899922761
Energy: 1.7340888004872264
Energy: 1.0398219121604109
Energy: 1.4780275283086168
Energy: 1.733223160338054
Energy: 1.0392807494999887
Energy: 1.485564002466606
Energy: 1.7359006423920593
Energy: 1.486541090079581
Energy: 1.0620992403321596
Energy: 1.7354707224312764
Energy: 1.4771472774608212
Energy: 1.4772769596715536
Energy: 1.4761470903928664
Energy: 1.4787156083557458
Energy: 1.4842505787465157
Energy: 1.7335959460650103
Energy: 1.0594035449256067
Energy: 1.4778722764451317
Energy: 1.7342628368558142
Energy: 1.0560216228736996
Energy: 1.0122137412328356
Energy: 1.7189544746043344
Energy: 1.0264680585545345
Energy: 1.4806277860870891
Energy: 1.736940807248826
Energy: 1.0481955833309822
Energy: 1.049852911836461

minimum gb energy = 1.0122137412328356 eV
minimum distance =  2.3039882245968 Angstroms
sigma value = 9


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

Energy: 1.8573127257973971
Energy: 1.734220778665208
Energy: 1.7343182205955714
Energy: 1.7386009398415492
Energy: 1.7341730102454715
Energy: 1.6206284477398027
Energy: 1.759825864366274
Energy: 1.4113122523808208
Energy: 1.7392523632839354
Energy: 1.7487070738919117
Energy: 1.5834463762362863
Energy: 1.4117548670837972
Energy: 1.74127408769245
Energy: 1.405603913616706
Energy: 1.4062866884758802
Energy: 1.7619508762882974
Energy: 1.4078667878472602
Energy: 1.5849297872777577
Energy: 1.736281517777825
Energy: 1.402504181568417
Energy: 1.403854501055852
Energy: 1.737498110810523
Energy: 1.404631593291033
Energy: 1.4016616896989929
Energy: 1.7625631399389003
Energy: 1.4061202998333908
Energy: 1.4050555284460575
Energy: 1.7428478746778284
Energy: 1.4066048476699686
Energy: 1.403365168524146
Energy: 1.7434859509432912
Energy: 1.7384819889299885
Energy: 1.4116242173208815
Energy: 1.7640849464513808
Energy: 1.4143742602560159
Energy: 1.7397838778481856
Energy: 1.7391409326096412
Energy: 1.7340744391546088
Energy: 1.6743620225749754
Energy: 1.552471263728425
Energy: 1.7339739259750535
Energy: 1.7343958462748286
Energy: 1.7365243345384067
Energy: 1.7376915792118035
Energy: 1.4115131947754826
Energy: 1.7637954078507938
Energy: 1.41328125259671
Energy: 1.738771772597525
Energy: 1.737753318247821
Energy: 1.5084733019764762
Energy: 1.5140566211328585
Energy: 1.7425108202792745
Energy: 1.5457069701042894
Energy: 1.5011062324445383
Energy: 1.7446821244528683
Energy: 1.5074679084185192
Energy: 1.5043942945404813
Energy: 1.764568727041009
Energy: 1.5038590807042125
Energy: 1.5019336651416482
Energy: 1.733427356679548
Energy: 1.51218810052593
Energy: 1.5179415773166547
Energy: 1.7778041338917538
Energy: 1.5103749442807564
Energy: 1.5049762898983845
Energy: 1.7347924974882014
Energy: 1.5106202162213103
Energy: 1.6748733699325578
Energy: 1.7426741472238554
Energy: 1.6686025023533075
Energy: 1.5064234904434597
Energy: 1.8413993019358106
Energy: 1.6631416034966213
Energy: 1.6687983096695889
Energy: 1.7495152450795655
Energy: 1.6633332252607245
Energy: 1.525085749435979
Energy: 1.7350111550426568
Energy: 1.5108748243387862
Energy: 1.6747299220591807
Energy: 1.7456395640434124
Energy: 1.6674663209378915
Energy: 1.5085285276518678
Energy: 1.7350052112824426
Energy: 1.5580816481960682
Energy: 1.666734461357909
Energy: 1.749324914598701
Energy: 1.5103362569976775
Energy: 1.604575166006301
Energy: 1.9186175050027947
Energy: 1.6663537731724645
Energy: 1.6675130182122608
Energy: 1.7487387681639002
Energy: 1.6656007678453386
Energy: 1.604688131209102
Energy: 1.732176499408916
Energy: 1.517880963791735
Energy: 1.6714561277424143
Energy: 1.7449968608423405
Energy: 1.6733254471447008
Energy: 1.6105139458102469
Energy: 1.7328169374341098
Energy: 1.517099290154263
Energy: 1.664765283758259
Energy: 1.832600836725876
Energy: 1.496104239575685
Energy: 1.5093068243455694
Energy: 1.7398626833384527
Energy: 1.508969227166811
Energy: 1.5006644157829185
Energy: 1.4306121671948047
Energy: 1.5008286100111747
Energy: 1.4997515305074534
Energy: 1.7452897614526235
Energy: 1.513469397249826
Energy: 1.5140286050383298
Energy: 1.7425549866017072
Energy: 1.5067304324764965
Energy: 1.5039909047095317
Energy: 1.735853356832182
Energy: 1.5893458913658494
Energy: 1.398891461519197
Energy: 1.7407907232958433
Energy: 1.4109095522946593
Energy: 1.7355122344873066
Energy: 1.735820448812156
Energy: 1.7365839684353124
Energy: 1.7296348953309484
Energy: 1.7314446524668028
Energy: 1.7369325597099436
Energy: 1.736917384040099
Energy: 1.7467540323107387
Energy: 1.7384819220518715
Energy: 1.4116468268412743
Energy: 1.7295194258963393
Energy: 1.592487740508239
Energy: 1.7411107906696435
Energy: 1.8335327394583958
Energy: 1.4054132916985949
Energy: 1.406577989709652
Energy: 1.7417326129845223
Energy: 1.4092207953239275
Energy: 1.722861871989673
Energy: 1.8455549977854382
Energy: 1.404529378646091
Energy: 1.4046183609216547
Energy: 1.7623091019843324
Energy: 1.406193413664874
Energy: 1.4052550813446425
Energy: 1.8329336657978255
Energy: 1.4047407659807982
Energy: 1.4035815399720877
Energy: 1.7363824569131663
Energy: 1.3977592730138184
Energy: 1.5871011035532323
Energy: 1.7436333464398246
Energy: 1.4081019330981968
Energy: 1.7349821936133831
Energy: 1.7765268310625102
Energy: 1.4054287208125553
Energy: 1.594505877440688
Energy: 1.8366898696908731
Energy: 1.7188257395334987
Energy: 1.736594539135578
Energy: 1.7376773534212389
Energy: 1.7366972678206734
Energy: 1.6831043706217037
Energy: 1.7351282924824718
Energy: 1.4112404329054873
Energy: 1.742464185383838
Energy: 1.7365333438470463
Energy: 1.7400970330367016
Energy: 1.5330251468886809
Energy: 1.7475807697002321
Energy: 1.4061583018932216
Energy: 1.5006859661359386
Energy: 1.7387941015433128
Energy: 1.507895664586697
Energy: 1.673733517510156
Energy: 1.7764699810290077
Energy: 1.5094868148495855
Energy: 1.510568088692547
Energy: 1.5024759717704996
Energy: 1.5134395161031837
Energy: 1.515384059931673
Energy: 1.7470109961235625
Energy: 1.5033487139122828
Energy: 1.503346470082307
Energy: 1.736756381987488
Energy: 1.5069784349294162
Energy: 1.414127360539696
Energy: 1.7421767561495902
Energy: 1.6660742588700026
Energy: 1.5068728056195593
Energy: 1.7349515477999735
Energy: 1.5082775074312118
Energy: 1.6717351288506441
Energy: 1.7478709562689694
Energy: 1.6656835026676537
Energy: 1.6662217425460466
Energy: 1.8284514076791394
Energy: 1.6654576528762033
Energy: 1.67198710352319
Energy: 1.7470768571709898
Energy: 1.6741092718351165
Energy: 1.5059198748485896
Energy: 1.8309739864132621
Energy: 1.6740446756601226
Energy: 1.6809649658699222
Energy: 1.7489370226649232
Energy: 1.600331553481243
Energy: 1.4078118829658965
Energy: 1.7329915634215276
Energy: 1.4040483162273338
Energy: 1.659208276795336
Energy: 1.759306317252457
Energy: 1.6787433381936514
Energy: 1.5059087114262601
Energy: 1.7319743927585791
Energy: 1.6670706706169383
Energy: 1.6808679719124442
Energy: 1.748137085755093
Energy: 1.6654313036913575
Energy: 1.602438346009778
Energy: 1.9190706016934402
Energy: 1.6646277177654534
Energy: 1.6671808664952348
Energy: 1.761023908926877
Energy: 1.6662003321173513
Energy: 1.510140959901083
Energy: 1.734708650757065
Energy: 1.5122800493115696
Energy: 1.667619566775966
Energy: 1.8420308602629274
Energy: 1.5034390078799293
Energy: 1.5058966448423352
Energy: 1.7357816229103618
Energy: 1.5108108035626397
Energy: 1.5037784597020702
Energy: 1.7614274977066642
Energy: 1.5096389388164106
Energy: 1.5114884551523073
Energy: 1.497406352139413
Energy: 1.516804196649944
Energy: 1.516737519233847
Energy: 1.7469610370483344
Energy: 1.4099766696659422
Energy: 1.506405998278584
Energy: 1.738553246358482
Energy: 1.508945646968867
Energy: 1.669659683780956
Energy: 1.7287013678462164
Energy: 1.4141209784780495
Energy: 1.7422728525536217
Energy: 1.7361120220281692
Energy: 1.747503327569633
Energy: 1.422478464499464

minimum gb energy = 1.3977592730138184 eV
minimum distance =  2.27602478079942 Angstroms
sigma value = 57


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

Energy: 3.08835293314032
Energy: 1.5310197791156488
Energy: 1.53213604926026
Energy: 1.5620892909043629
Energy: 1.5311882252070204
Energy: 1.4615386158677266
Energy: 1.567605293247516
Energy: 1.4616153789001913
Energy: 1.541766215029423
Energy: 1.58071428572295
Energy: 1.4528606999575506
Energy: 1.4362743106947913
Energy: 1.5808744812479538
Energy: 1.4599399529099892
Energy: 1.4583415400811148
Energy: 1.564890214831247
Energy: 1.4583317295657507
Energy: 1.436907968005688
Energy: 1.5559667718686585
Energy: 1.4575032179139116
Energy: 1.457614661666833
Energy: 1.5616864978249092
Energy: 1.4569500027658029
Energy: 1.4620202674538587
Energy: 1.5546843545171325
Energy: 1.4590454008337392
Energy: 1.4399171696540518
Energy: 1.5784872616315242
Energy: 1.4584003575773317
Energy: 1.5299185697758841
Energy: 1.5795283258183772
Energy: 1.5429202043223116
Energy: 1.4601400125416757
Energy: 1.5666063607364107
Energy: 1.4460668133662975
Energy: 1.5455560499208374
Energy: 1.5612254632464018
Energy: 1.5310330618624557
Energy: 1.5316607737524903
Energy: 1.6153450850754285
Energy: 1.5326484399886282
Energy: 1.5352335950743492
Energy: 1.566441541539413
Energy: 1.539752625732297
Energy: 1.4364475877862313
Energy: 1.534247266021669
Energy: 1.4401680847816907
Energy: 1.5389235934153358
Energy: 1.563558587000427
Energy: 1.4354035671628902
Energy: 1.4483571806598183
Energy: 1.564851757071619
Energy: 1.4388411575415927
Energy: 1.5661999948840375
Energy: 1.564038194508313
Energy: 1.5341797737646399
Energy: 1.471095141474953
Energy: 1.5540754820432174
Energy: 1.4315044049112773
Energy: 1.5329383083427957
Energy: 1.5683473132759744
Energy: 1.5394227319201894
Energy: 1.450866871165089
Energy: 1.5600966272688122
Energy: 1.4455769148660438
Energy: 1.5347941162880294
Energy: 1.5688911893095348
Energy: 1.4357469742002766
Energy: 1.4492011301540138
Energy: 1.582055389479719
Energy: 1.4566884362956602
Energy: 1.4312396909686573
Energy: 1.5643280756548907
Energy: 1.458126604859886
Energy: 1.4583996910566417
Energy: 1.532750833964814
Energy: 1.4585892512008867
Energy: 1.458576993319247
Energy: 1.5657637836273373
Energy: 1.458554284454362
Energy: 1.458121334097049
Energy: 1.555930251646338
Energy: 1.4580054296060359
Energy: 1.4343798598661621
Energy: 1.5787280620483364
Energy: 1.4602969629710323
Energy: 1.5316440212187759
Energy: 1.57789261756626
Energy: 1.4350181736788814
Energy: 1.4454965145670748
Energy: 1.549113966303337
Energy: 1.4292309700358554
Energy: 1.5314233739066783
Energy: 1.5645763368977261
Energy: 1.5309860272296807
Energy: 1.5182875493366843
Energy: 1.5498401482913213
Energy: 1.4459406718865977
Energy: 1.539678927283663
Energy: 1.5664285601453036
Energy: 1.5418068837427572
Energy: 1.4503947881474044
Energy: 1.582528572439876
Energy: 1.4345971081958513
Energy: 1.527668021631019
Energy: 1.5622815469323532
Energy: 1.4370425445519892
Energy: 1.4481683009085313
Energy: 1.5582879431006635
Energy: 1.4512018474639645
Energy: 1.548534540372054
Energy: 1.56461539489647
Energy: 1.5457251676923132
Energy: 1.438853460833221

minimum gb energy = 1.4292309700358554 eV
minimum distance =  2.27729984974832 Angstroms
sigma value = 11


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

Energy: 1.3097421589549751
Energy: 1.3822258809724983
Energy: 1.3828601985201219
Energy: 1.3426786717102888
Energy: 1.3820298455910631
Energy: 1.3940268329045746
Energy: 1.3499694168638485
Energy: 1.4582867606249066
Energy: 1.3859000947033766
Energy: 1.3260596716608706
Energy: 1.3833178560872321
Energy: 1.4565382653262455
Energy: 1.3331757120846306
Energy: 1.455943731100743
Energy: 1.4323998907065179
Energy: 1.3488944510748455
Energy: 1.4366357591801884
Energy: 1.441362737820474
Energy: 1.3213335134853141
Energy: 1.4302992402949197
Energy: 1.4324140971497892
Energy: 1.346896368307475
Energy: 1.4356057903515154
Energy: 1.467168863729535
Energy: 1.3210991456139471
Energy: 1.4341164087664757
Energy: 1.4314029384450266
Energy: 1.3294512911406753
Energy: 1.4385995801967297
Energy: 1.406295354622157
Energy: 1.323749940647743
Energy: 1.446455680461872
Energy: 1.4326925792165832
Energy: 1.328291169049032
Energy: 1.437617663951294
Energy: 1.4367693913709412
Energy: 1.345417155240108
Energy: 1.4329015212772858
Energy: 1.4255577500548053
Energy: 1.3854144965622492
Energy: 1.4254772150787072
Energy: 1.3781676939266787
Energy: 1.3368750671898804
Energy: 1.4443406565111143
Energy: 1.4346681632775553
Energy: 1.3426409682078089
Energy: 1.4370124484100564
Energy: 1.4403070989787794
Energy: 1.3313457563817734
Energy: 1.3784127225508578
Energy: 1.4560490511467696
Energy: 1.3350111183779885
Energy: 1.427522687695831
Energy: 1.3765461261582985
Energy: 1.341706675706953
Energy: 1.3772846618680636
Energy: 1.3787669404059961
Energy: 1.437187708546262
Energy: 1.3780997663105248
Energy: 1.3768962783356071
Energy: 1.340836438160211
Energy: 1.3782536434977903
Energy: 1.4034485453814967
Energy: 1.3103346087747845
Energy: 1.3803225487130906
Energy: 1.3800040455063107
Energy: 1.340320285293473
Energy: 1.3773634559451686
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Energy: 1.3357271670686044
Energy: 1.3864468335042948
Energy: 1.3387354607569404
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Energy: 1.3832997214220264
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Energy: 1.3272081403923828
Energy: 1.402625328302205
Energy: 1.3459474911723748
Energy: 1.3415182985250573
Energy: 1.3777946890773047
Energy: 1.396284691247086
Energy: 1.2986965885041963
Energy: 1.3856241716861222
Energy: 1.3435708332954865
Energy: 1.3274314403831673
Energy: 1.378447419052183
Energy: 1.4568040000805493
Energy: 1.3282677348348348
Energy: 1.429791652647656
Energy: 1.3795857212550162
Energy: 1.3511027937909024
Energy: 1.4395537354513088
Energy: 1.4589868389638405
Energy: 1.3283978655440012
Energy: 1.4331980266329574
Energy: 1.43142822616307
Energy: 1.3502752022202136
Energy: 1.4336118375804798
Energy: 1.4641292053673405
Energy: 1.3490302065902366
Energy: 1.4271038834588157
Energy: 1.3898965427759968
Energy: 1.323228769216567
Energy: 1.4422707622818427
Energy: 1.4322749851503151
Energy: 1.3185031708490644
Energy: 1.4381300865433173
Energy: 1.389773610193097
Energy: 1.3465556915719399
Energy: 1.4377722371144854
Energy: 1.436469118888015
Energy: 1.3250570024860604
Energy: 1.444396798642997
Energy: 1.4307565832218798
Energy: 1.3153418928380123
Energy: 1.4272099690690119
Energy: 1.4328010717499262
Energy: 1.3467200941819797
Energy: 1.434715434897125
Energy: 1.429302677792459
Energy: 1.3393615012579831
Energy: 1.4327734507329173
Energy: 1.4372020306887419
Energy: 1.3305470014664436
Energy: 1.442544718018274
Energy: 1.436020290640273
Energy: 1.3358902415555056
Energy: 1.4292027793561293
Energy: 1.3788799659032789
Energy: 1.3301534559136554
Energy: 1.380352252236847
Energy: 1.456637617930682
Energy: 1.3104396373316858
Energy: 1.3788337585773882
Energy: 1.3771524731243132
Energy: 1.3536184494932055
Energy: 1.377197593672
Energy: 1.454730237423716
Energy: 1.3142557079296837
Energy: 1.4026289628536277
Energy: 1.3826549346087444
Energy: 1.3448383656306726
Energy: 1.3838457642225708
Energy: 1.4587224121178408
Energy: 1.3359470480337463
Energy: 1.4288230265826727
Energy: 1.3781992719899068
Energy: 1.3460409592641096
Energy: 1.3881991274660506
Energy: 1.4550009379883786
Energy: 1.3326506783104202
Energy: 1.403701693564528
Energy: 1.3794592492148605
Energy: 1.345258153513933
Energy: 1.3794871234195552
Energy: 1.452350193258439

minimum gb energy = 1.2986965885041963 eV
minimum distance =  2.23252523203148 Angstroms
sigma value = 41


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

Energy: 1.1209298379728905
Energy: 1.218968864120133
Energy: 1.18497789538206
Energy: 1.178913619816837
Energy: 1.218271045578351
Energy: 1.3503480113660487
Energy: 1.159511975494876
Energy: 1.3152607933490374
Energy: 1.2271568772021553
Energy: 1.1658450864554302
Energy: 1.2190171825109786
Energy: 1.316157362362843
Energy: 1.1620548151926222
Energy: 1.3133537340168093
Energy: 1.2820545474079734
Energy: 1.1833643550816813
Energy: 1.2900578197052173
Energy: 1.3235243749027297
Energy: 1.1462843745691946
Energy: 1.2940038870518897
Energy: 1.278703815067951
Energy: 1.185471962422575
Energy: 1.2855638950967612
Energy: 1.3358460814469146
Energy: 1.1459941099746607
Energy: 1.2988085090446055
Energy: 1.2870012241604512
Energy: 1.1611408781266226
Energy: 1.2904887520301234
Energy: 1.3356604078534546
Energy: 1.1732323040349197
Energy: 1.3239312374141643
Energy: 1.2927204224020918
Energy: 1.1715834370148024
Energy: 1.311928145733614
Energy: 1.3194386163712506
Energy: 1.171523366709505
Energy: 1.3215859266837309
Energy: 1.323153989670401
Energy: 1.3224824354589952
Energy: 1.3229495775557392
Energy: 1.2890998032731693
Energy: 1.1721460755160436
Energy: 1.322747251321344
Energy: 1.3109606722243512
Energy: 1.1722872365985235
Energy: 1.3221569499913757
Energy: 1.3342544245873946
Energy: 1.166993554996803
Energy: 1.2991203354495102
Energy: 1.3236891956956123
Energy: 1.2262089224570922
Energy: 1.3252980115471402
Energy: 1.3022986128713978
Energy: 1.163425100184075
Energy: 1.2907486396311298
Energy: 1.2940956275928999
Energy: 1.5062899078271659
Energy: 1.2886501627242035
Energy: 1.2704991474561949
Energy: 1.1817539648370436
Energy: 1.3023583926262465
Energy: 1.3011252028089841
Energy: 1.2756129174311837
Energy: 1.298610748314597
Energy: 1.2721504244481152
Energy: 1.1877130725998524
Energy: 1.2721019053175304
Energy: 1.3280825400741996
Energy: 1.2782655635757831
Energy: 1.2878970392058122
Energy: 1.2150855066953778
Energy: 1.1705557558473296
Energy: 1.2220596632812581
Energy: 1.2801538361263463
Energy: 1.2783763516211784
Energy: 1.2192812659830223
Energy: 1.219688695053831
Energy: 1.1828775362328452
Energy: 1.2147891871867624
Energy: 1.2770399951064455
Energy: 1.2811702791299544
Energy: 1.2165339905190884
Energy: 1.182936630271146
Energy: 1.1750754755280748
Energy: 1.217013176573456
Energy: 1.3153471675320283
Energy: 1.3173484896855536
Energy: 1.2138006973493343
Energy: 1.2187367270144323
Energy: 1.183108266746557
Energy: 1.1783337868581951
Energy: 1.2728300583720267
Energy: 1.3166632467276544
Energy: 1.1854360205867822
Energy: 1.1807144790416122
Energy: 1.181515449260236
Energy: 1.2234686534243262
Energy: 1.1621563360520997
Energy: 1.3656306622796544
Energy: 1.2178192716086125
Energy: 1.1805506209232584
Energy: 1.1599561599187276
Energy: 1.2214486024142992
Energy: 1.2999781067680707
Energy: 1.323606630336362
Energy: 1.2555778285316745
Energy: 1.1779007822337566
Energy: 1.1800362060504086
Energy: 1.2357333495871505
Energy: 1.3310940219675964
Energy: 1.2784913288694246
Energy: 1.2715303319663636
Energy: 1.2146995983453706
Energy: 1.1572856420337636
Energy: 1.2959771141254057
Energy: 1.3019034226536443
Energy: 1.3373778443828448
Energy: 1.2996672339544972
Energy: 1.2931487346889656
Energy: 1.1770063063441252
Energy: 1.281689858251323
Energy: 1.3345103882709608
Energy: 1.1537399811923792
Energy: 1.2837379726957858
Energy: 1.2200701840477592
Energy: 1.163938388564466
Energy: 1.2987592935988663
Energy: 1.324093580324038
Energy: 1.2742594589933314
Energy: 1.3260125957238795
Energy: 1.3006729432632866
Energy: 1.1842762587342526
Energy: 1.323677665540203
Energy: 1.310957885573348
Energy: 1.1756400759110914
Energy: 1.322655353201891
Energy: 1.3244765151593956
Energy: 1.1700821361246128
Energy: 1.3225673400885893
Energy: 1.3232688868686426
Energy: 1.1732330642400846
Energy: 1.3230540110152875
Energy: 1.2894280645523926
Energy: 1.1769443483147284
Energy: 1.3240990060168938
Energy: 1.290400771589463
Energy: 1.1838111547574053
Energy: 1.296918251497179
Energy: 1.3195589644939025
Energy: 1.1234159367985959
Energy: 1.3002251958589879
Energy: 1.2693913285879532
Energy: 1.1630570253088464
Energy: 1.2944380425461455
Energy: 1.2957855118200692
Energy: 1.155956420998996
Energy: 1.2929116934659854
Energy: 1.2720793514215452
Energy: 1.186989443227624
Energy: 1.2873542209581899
Energy: 1.2972112826338147
Energy: 1.1631343013243616
Energy: 1.2967733646939688
Energy: 1.2728451159311653
Energy: 1.1820377396597281
Energy: 1.2941687485491986
Energy: 1.3234382929366422
Energy: 1.1670928027954683
Energy: 1.2816391824251503
Energy: 1.2254021398526467
Energy: 1.1654461364058606
Energy: 1.218832684293057
Energy: 1.315914854903682
Energy: 1.123403234543456
Energy: 1.2206014035658732
Energy: 1.2185787770753331
Energy: 1.1844979396514206
Energy: 1.2188025490508063
Energy: 1.2748564135778264
Energy: 1.177835442331358
Energy: 1.213570895098079
Energy: 1.225661906337183
Energy: 1.1743191342675792
Energy: 1.2263651143380687
Energy: 1.3173625492644596
Energy: 1.1772359046251266
Energy: 1.2898270171888735
Energy: 1.1844058356913822
Energy: 1.18599735321019
Energy: 1.2141808041604938
Energy: 1.3152603382749932
Energy: 1.116936290629216
Energy: 1.220019510928522
Energy: 1.1796511438701256
Energy: 1.1857353057535964
Energy: 1.2159612540163107
Energy: 1.1661686450188993

minimum gb energy = 1.116936290629216 eV
minimum distance =  2.2693253156258 Angstroms
sigma value = 33


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

Energy: 1.2444911900491598
Energy: 1.010040158071747
Energy: 0.973860118110165
Energy: 0.9733184844553239
Energy: 1.009342710971002
Energy: 1.1327168637767882
Energy: 0.9441268235710589
Energy: 1.071616256207287
Energy: 0.9359383873985835
Energy: 0.9409989248043916
Energy: 0.9393749521064598
Energy: 1.131379920011304
Energy: 0.9491535301403647
Energy: 1.057345659051295
Energy: 0.9575184657144644
Energy: 1.1178208280303463
Energy: 0.9587495728312261
Energy: 1.1305815392558611
Energy: 0.9270428811788405
Energy: 0.9580480219727567
Energy: 0.9564465144415955
Energy: 0.95676139981768
Energy: 0.95655960389338
Energy: 1.142527019467032
Energy: 0.9259260819839273
Energy: 0.9592197868034864
Energy: 0.9566020098339751
Energy: 0.933464475727934
Energy: 0.9571055628012405
Energy: 1.1421082408819807
Energy: 0.9492209589761588
Energy: 1.1364469150309304
Energy: 1.0713449866670568
Energy: 0.9709798465795494
Energy: 1.0568599229393554
Energy: 1.141271438650619
Energy: 0.9452314916820029
Energy: 1.1395021816175002
Energy: 1.1442748449587021
Energy: 1.0591236628942244
Energy: 1.1440033359197883
Energy: 1.138604695487087
Energy: 0.9136672046562486
Energy: 1.128107463972538
Energy: 1.1298491917669073
Energy: 1.0593675348284142
Energy: 1.132512090351871
Energy: 1.1399708562253112
Energy: 0.9489119381832116
Energy: 1.1375857871461792
Energy: 1.1414097806047403
Energy: 1.2028305125621122
Energy: 1.1425568807974869
Energy: 1.1369343303330666
Energy: 0.9550105100824421
Energy: 1.1379580995962337
Energy: 1.1431173183531718
Energy: 1.077448063252958
Energy: 1.1448872492277589
Energy: 1.1376829565762399
Energy: 0.969107403493794
Energy: 1.1426254939267761
Energy: 1.1395284716280583
Energy: 1.0796442959850994
Energy: 1.1437882119276066
Energy: 1.1428670050159948
Energy: 0.9695979543223504
Energy: 1.1417551038618357
Energy: 1.1433771434644495
Energy: 1.0773068212748698
Energy: 1.1458798500264655
Energy: 1.139555913562347
Energy: 0.9371532438185034
Energy: 1.1483173280872132
Energy: 1.1395072817875198
Energy: 1.1366290286344667
Energy: 1.1406382245350453
Energy: 1.1390951465062396
Energy: 0.9344972039347312
Energy: 1.0711827694743912
Energy: 1.057504645286455
Energy: 1.1487947835369552
Energy: 1.0570595098018438
Energy: 1.057314659466473
Energy: 1.2596401132462112
Energy: 1.1443064195984527
Energy: 1.1382023800023655
Energy: 1.1374887811604033
Energy: 1.137116524470652
Energy: 1.143216980706682
Energy: 0.9602356887173024
Energy: 1.0573683116204513
Energy: 1.1281366598623699
Energy: 1.1402433261669822
Energy: 1.0715258855830063
Energy: 1.056969498836303
Energy: 0.9348778686773783
Energy: 1.0874124506802223
Energy: 1.0556296188320526
Energy: 1.1495615192008122
Energy: 1.061096043867069
Energy: 1.0460190342711024
Energy: 1.1047234038223401
Energy: 1.051754604017619
Energy: 1.0575806425354652
Energy: 1.146403310017743
Energy: 1.057155477106944
Energy: 1.0032008114889417
Energy: 1.095555033848755
Energy: 0.9582622728526872
Energy: 1.058006294992483
Energy: 1.1428648900331788
Energy: 1.0721836614883984
Energy: 0.956443193934233
Energy: 0.961391791661337
Energy: 0.959041192079488
Energy: 1.0568943484212265
Energy: 1.1469659220035293
Energy: 0.951475197589576
Energy: 0.9566749736578538
Energy: 0.9730128442542131
Energy: 1.0008892120986788
Energy: 0.9510167579854355
Energy: 1.158314107828975
Energy: 1.0000476585032738
Energy: 0.9724332891879276
Energy: 0.9558144962547741
Energy: 0.9590184323681504
Energy: 1.1323818846469502
Energy: 1.136741481992807
Energy: 0.9562046292530281
Energy: 0.9356566147504484
Energy: 0.924769503650509
Energy: 0.9371360499062423
Energy: 1.0550424732100705
Energy: 1.1379416880185875
Energy: 0.9580142426907524
Energy: 0.9348165835894746
Energy: 0.9733742062303468
Energy: 0.9745627901107232
Energy: 0.9082586769962397
Energy: 1.1462781788985916
Energy: 0.9999738220417275
Energy: 0.9532046408755636
Energy: 0.9414824259854443
Energy: 0.9383527533766672
Energy: 1.057803131359588
Energy: 1.147214748879899
Energy: 0.9378407004987506
Energy: 0.9367943742505843
Energy: 1.1169208154401025
Energy: 0.9568977756053668
Energy: 1.1317139348075738
Energy: 1.1463117694053935
Energy: 1.0565443038610969
Energy: 0.9567933768963048
Energy: 1.1180656832676923
Energy: 0.9569926452948488
Energy: 1.056767577957798
Energy: 1.1512991621964401
Energy: 0.9567708147662407
Energy: 0.957031362345001
Energy: 0.9454158853467699
Energy: 0.9714904003811166
Energy: 1.1421059992931557
Energy: 1.1521737990537693
Energy: 0.9573452455311973
Energy: 1.093707592605712
Energy: 0.9666124159472045
Energy: 1.0565144908941115
Energy: 1.1378811176743564
Energy: 1.1385489516571727
Energy: 1.1295339756498275
Energy: 1.0563394577149545
Energy: 0.9562396329586833
Energy: 1.1441206525682726
Energy: 1.1381461255649432
Energy: 1.1379683143339279
Energy: 1.139240015347026
Energy: 1.1401137266648664
Energy: 0.9398085134515785
Energy: 1.1307983797664707
Energy: 1.1381584267014866
Energy: 1.1526694276694607
Energy: 1.127668971510193
Energy: 1.0563916250077101
Energy: 0.9364801030867433
Energy: 1.1456846807428547
Energy: 1.1382606691824309
Energy: 1.1384465414232512
Energy: 1.1384151117909465
Energy: 1.1424357818679538
Energy: 0.9641883071091257
Energy: 1.142747596036123
Energy: 1.1384171891110568
Energy: 1.0756049203079028
Energy: 1.1469686594738928
Energy: 1.1411928829895035
Energy: 0.9652479577900364
Energy: 1.1430565714919898
Energy: 1.141149721014463
Energy: 1.1393574090350136
Energy: 1.144876424337572
Energy: 1.1409375401719428
Energy: 0.9550845206099314
Energy: 1.143373029703938
Energy: 1.1416349794004663
Energy: 1.1383853447597208
Energy: 1.1449559107127516
Energy: 1.13856838309026
Energy: 0.9406875291374632
Energy: 1.1387798504369187
Energy: 1.1441670448831265
Energy: 1.2023572099544648
Energy: 1.1467203997153717
Energy: 1.1377936712671057
Energy: 0.9625367490862362
Energy: 1.128003399620274
Energy: 1.0572264099859212
Energy: 0.9361290834354551
Energy: 1.128221593115544
Energy: 1.1478883358341427
Energy: 0.9449893318536985
Energy: 1.13869945447691
Energy: 1.1391227661564445
Energy: 0.9540668292125032
Energy: 1.1500356007402215
Energy: 1.1373666288380972
Energy: 0.9478822472039473
Energy: 1.1301214306590508
Energy: 1.0569181126821428
Energy: 0.9699307270851304
Energy: 1.0563975604171116
Energy: 1.1390589593838982
Energy: 0.9347431466067723
Energy: 0.9577649195808566
Energy: 0.9560846794264489
Energy: 0.9351331891167675
Energy: 0.9558623707155307
Energy: 1.1506435281824603
Energy: 0.9358040036796667
Energy: 1.0536905744489449
Energy: 0.9582363933857759
Energy: 0.9583548026726131
Energy: 0.9583508504059924
Energy: 1.0576121625762263
Energy: 0.9479378718501802
Energy: 1.0568479348317783
Energy: 0.9583718038236174
Energy: 0.9594631634835782
Energy: 0.9576712376068974
Energy: 1.0576530794308874
Energy: 0.9372516494560438
Energy: 0.935580126898379
Energy: 0.9476538434063949
Energy: 0.9431829749605153
Energy: 0.9439204466937042
Energy: 1.1316096930108825
Energy: 0.911795038560494
Energy: 1.0001323466840153
Energy: 1.0105123008693033
Energy: 0.9736825302276298
Energy: 1.0144934167782584
Energy: 1.0551882502918435
Energy: 0.9506753787102841
Energy: 0.956678060364056
Energy: 0.943469166533673
Energy: 0.9273881603613415
Energy: 0.9407677240070309
Energy: 1.1311869287205742
Energy: 0.9433935569089805
Energy: 0.9570230752624517
Energy: 0.9343314884987558
Energy: 0.9289662658932268
Energy: 0.9386809499255359
Energy: 1.1332788843441184
Energy: 0.9216309345052025
Energy: 0.956412162121523
Energy: 0.9544778498460106
Energy: 0.971923319783965
Energy: 0.9559022220193212
Energy: 0.9101069303944282

minimum gb energy = 0.9082586769962397 eV
minimum distance =  2.28792587244097 Angstroms
sigma value = 67


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

Energy: 0.19655537013904453
Energy: -0.10132872425382776
Energy: -0.10031239103365228
Energy: -0.14842320032067471
Energy: -0.09374922065142888
Energy: 0.19424520899640738
Energy: -0.19304544978529412
Energy: -0.11608316172076122
Energy: -0.09959207156301943
Energy: -0.23313068598414854
Energy: -0.10443596765962612
Energy: -0.08890619102196888
Energy: -0.41755843664791065
Energy: -0.1686076916768315
Energy: -0.2488499423006381
Energy: -0.27689050644747226
Energy: -0.25437275632907663
Energy: -0.2872061534521403
Energy: 0.1983989695230933
Energy: -0.13963688145519165
Energy: -0.23865324091021306
Energy: -0.0979155232880356
Energy: -0.2840941297816693
Energy: 0.19776332158150095
Energy: 0.20053196902060194
Energy: -0.19688958231953282
Energy: -0.2813559748783476
Energy: -0.1742763260010127
Energy: -0.20258532921376832
Energy: 0.1989653428998148
Energy: -0.4206083226237133
Energy: -0.23983232276810873
Energy: -0.23627203705097538
Energy: -0.08940640956725772
Energy: -0.22518488871648312
Energy: -0.2319381820071892
Energy: 0.21758358603342093
Energy: -0.21747498519597594
Energy: -0.2734669605633577
Energy: -0.2345222445766921
Energy: -0.17880305178331224
Energy: -0.22463693926234407

minimum gb energy = -0.4206083226237133 eV
minimum distance =  2.425274003907 Angstroms
sigma value = 3


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

Energy: 0.8180238893242133
Energy: 0.975689492785064
Energy: 0.9769377888567703
Energy: 1.0012651673808866
Energy: 0.9760400860313992
Energy: 1.1469186544013694
Energy: 0.8356918994028527
Energy: 1.1230267864398233
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Energy: 0.8258297514887357
Energy: 0.8254793988429099
Energy: 1.1259273190099268
Energy: 0.8296994613692978
Energy: 1.1046818144825052
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Energy: 0.8252249610107749
Energy: 0.825266468068518
Energy: 1.1272216626487426
Energy: 0.8195247407193521
Energy: 0.9717001267667515
Energy: 0.8251721828907779
Energy: 0.8273508560549467
Energy: 0.9717164059282358
Energy: 1.1232302660483164
Energy: 0.8196778070035277
Energy: 0.9717841896150221
Energy: 0.9719247084565272
Energy: 0.8304240122770266
Energy: 0.9715954301363393
Energy: 1.122458853595325
Energy: 0.8291348636496609
Energy: 1.1042932633264178
Energy: 0.9718682082816422
Energy: 0.8319124686229681
Energy: 0.9722976229984688
Energy: 1.1399073546750316
Energy: 0.8353984451125694
Energy: 1.1208148863497571
Energy: 0.9760170836726473
Energy: 0.9891540880793783
Energy: 0.9950059651581831
Energy: 1.1264504754438418
Energy: 0.8165771404734158
Energy: 1.1252188323357502
Energy: 1.1298799143916427
Energy: 0.9931117288420444
Energy: 1.1249336882486198
Energy: 1.1533528358510707
Energy: 0.9985021881389208
Energy: 1.1249784708797157
Energy: 1.1249841891588626
Energy: 0.9832250035576381
Energy: 1.1255902162229687
Energy: 1.1244344772608437
Energy: 0.8256929389924053
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Energy: 1.1227497951737553
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Energy: 1.150546258813385
Energy: 0.826711878422184
Energy: 1.1403971472929502
Energy: 1.145002268590446
Energy: 1.141910556575519
Energy: 1.144594372400738
Energy: 1.1406201664363254
Energy: 0.8348742871738928
Energy: 1.1405301575772508
Energy: 1.146318907787018
Energy: 1.1400430702286433
Energy: 1.1464161464613718
Energy: 1.15074757298485
Energy: 1.0219078378155702
Energy: 1.1475421724734858
Energy: 1.1523507048280648
Energy: 1.1453469140382426
Energy: 1.1502098390465283
Energy: 1.1460312519518259
Energy: 0.9953431014599105
Energy: 1.1468466764279865
Energy: 1.148668564482656
Energy: 1.1383743405063718
Energy: 1.1512092818104656
Energy: 1.1492304461586444
Energy: 0.8345602740093905
Energy: 1.1537673925538994
Energy: 1.1504895668957777
Energy: 1.1406662127747056
Energy: 1.1573986512195884
Energy: 1.1499321946462724
Energy: 0.8308810193035582
Energy: 1.1468363880796297
Energy: 1.1466763906349702
Energy: 1.1473738357613161
Energy: 1.1523015883627592
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Energy: 0.8368507855832372
Energy: 1.1465259889241015
Energy: 1.1408696484820733
Energy: 1.1578165367059627
Energy: 1.1412946929135872
Energy: 1.1496776918605551
Energy: 0.8358306602580874
Energy: 1.1441579670155635
Energy: 1.1405384733969992
Energy: 1.145668829335539
Energy: 1.1409300409905536
Energy: 1.1427631510558693
Energy: 0.9904860956161166
Energy: 1.1449926698519794
Energy: 1.1409778084159614
Energy: 1.1468357866443344
Energy: 1.141055099750694
Energy: 1.1405086598317575
Energy: 0.8369689970306567
Energy: 1.1222466086317238
Energy: 1.14683588235702
Energy: 1.1531925319265224
Energy: 1.1231148101610668
Energy: 1.1233840038212903
Energy: 0.8390110335526866
Energy: 1.1229645857434523
Energy: 1.126693883419366
Energy: 1.1686143034155148
Energy: 1.125566462987078
Energy: 1.1245890115834003
Energy: 0.9923324727832824
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Energy: 1.1436630301022983
Energy: 1.1596385674834084
Energy: 1.1279391137908366
Energy: 1.0001725413166707
Energy: 0.8317156406181996
Energy: 0.9759182743630298
Energy: 1.1256221620125246
Energy: 1.1657702818620495
Energy: 1.121000297691955
Energy: 0.9757611981991849
Energy: 0.8311471739066371
Energy: 0.9724340789999492
Energy: 1.1054461085118796
Energy: 1.1465327226588746
Energy: 1.1047680429704891
Energy: 0.9727712743379711
Energy: 0.8288364929976928
Energy: 0.9727708743839976
Energy: 1.1049707387257663
Energy: 1.13813413790471
Energy: 0.9716401060626269
Energy: 0.9727647734281522
Energy: 0.8257322910866687
Energy: 0.8253278710072796
Energy: 1.1038755747803513
Energy: 1.1449004553095703
Energy: 0.9718947530084293
Energy: 0.8250220913164678
Energy: 0.8239569477534925
Energy: 0.8253882364400197
Energy: 1.104911399432485
Energy: 1.1356610833546206
Energy: 1.104476430066587
Energy: 0.8250894585951691
Energy: 0.8247568234791813
Energy: 0.8254094162943444
Energy: 1.1262798427150271
Energy: 1.1494815231306983
Energy: 0.9720165231693214
Energy: 0.8252686300727509
Energy: 0.8278083556036618
Energy: 0.97442130762457
Energy: 1.1377674145453456
Energy: 1.156538529659516
Energy: 0.9747919059188188
Energy: 0.8256217342604971
Energy: 0.8314522463320932
Energy: 0.9720914895322612
Energy: 1.1255686850250561
Energy: 1.142714276750695
Energy: 0.9737468906896172
Energy: 0.9730662987231204
Energy: 0.8306463199067843
Energy: 0.9727532092323239
Energy: 1.1255711770273267
Energy: 1.1527142555715157
Energy: 1.1252829294097573
Energy: 0.9728599392708545
Energy: 0.9885347470453232
Energy: 0.9953276469900763
Energy: 1.1226890236771514
Energy: 1.1593311091278347
Energy: 1.1215917653595944
Energy: 0.9960805774479268
Energy: 0.8388255510618694
Energy: 1.1219568313427069
Energy: 1.1207155584587614
Energy: 1.1524364809172254
Energy: 1.1207275774247023
Energy: 1.122447387040983
Energy: 0.8386585256167268
Energy: 1.121938303300439
Energy: 1.1409286462447479
Energy: 1.1499439267048506
Energy: 1.1210852679140384
Energy: 1.123171926168546
Energy: 0.8316908315626907
Energy: 1.1453763130115808
Energy: 1.1405871684101214
Energy: 1.1470923800292032
Energy: 1.140730721073532
Energy: 1.1204124157465516
Energy: 0.9928057925747701
Energy: 1.1494189835620139
Energy: 1.1490731126708082
Energy: 1.1503447957068147
Energy: 1.1426524877535862
Energy: 1.145334692165995
Energy: 0.8388340743568499
Energy: 1.1497010535280325
Energy: 1.1443891238498487
Energy: 1.156021072898692
Energy: 1.1445575664103942
Energy: 1.152223028843735
Energy: 0.9946582028750852
Energy: 1.1468680195417464
Energy: 1.1500035753292575
Energy: 1.1535417867219528
Energy: 1.1558801939638277
Energy: 1.1446693566991812
Energy: 0.8378610408688585
Energy: 1.1488492307385958
Energy: 1.146754487578857
Energy: 1.133168678591152
Energy: 1.1539474106608099
Energy: 1.1457942322642187
Energy: 0.8219335038613974
Energy: 1.147454686936884
Energy: 1.1466167816231425
Energy: 1.1553722012145196
Energy: 1.1517381331117142
Energy: 1.146344063157019
Energy: 0.8205615332913839
Energy: 1.147204625535316
Energy: 1.1453146736375197
Energy: 1.1481226980672796
Energy: 1.1531057316943627
Energy: 1.1460908705419464
Energy: 0.839101301806302
Energy: 1.1483299196362715
Energy: 1.1461520701367836
Energy: 1.1425604857921268
Energy: 1.1459339157053987
Energy: 1.1518670016810129
Energy: 1.0142441716475243
Energy: 1.141834032563512
Energy: 1.147607837283101
Energy: 1.1415824525400498
Energy: 1.1476114001505313
Energy: 1.147172889977243
Energy: 0.8241912667456819
Energy: 1.1453405409800914
Energy: 1.1481490151503324
Energy: 1.1622235063855264
Energy: 1.1496969707681732
Energy: 1.155779383628238
Energy: 0.8351738048774064
Energy: 1.1417964761662833
Energy: 1.1288720560785803
Energy: 0.9989965840823594
Energy: 1.126977844335422
Energy: 1.1417315312177543
Energy: 0.8313195939838487
Energy: 1.1214600890224975
Energy: 1.124431901927047
Energy: 0.9864218841362834
Energy: 1.1228595231609921
Energy: 1.1349208847457342
Energy: 0.8248184132607016
Energy: 1.1212897863913343
Energy: 1.1246243895897976
Energy: 0.9956918656936687
Energy: 1.1217314331248178
Energy: 1.1364096765718195
Energy: 0.8257484044378807
Energy: 1.120711338462226
Energy: 0.9975310418137032
Energy: 0.9889936041142879
Energy: 1.1207974576982171
Energy: 1.135438984141625
Energy: 0.8302200602549877
Energy: 1.1263535740947956
Energy: 0.9725901598117391
Energy: 0.8311368834855878
Energy: 0.9731056924046981
Energy: 1.1272832423098682
Energy: 0.8174187740733715
Energy: 1.1265647296586394
Energy: 0.9727203536068689
Energy: 0.8322545064870231
Energy: 0.9725841138814402
Energy: 1.1262438363461136

minimum gb energy = 0.8165771404734158 eV
minimum distance =  2.29515382088658 Angstroms
sigma value = 81


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

Energy: 1.0645533554370976
Energy: 0.9349002605658131
Energy: 0.9424525655094423
Energy: 0.9495484803687554
Energy: 0.9442222414301752
Energy: 1.384696921907085
Energy: 0.016479372991564375
Energy: 1.1555701323516743
Energy: 0.9362976369777277
Energy: 0.9479330179526056
Energy: 0.9447285102378201
Energy: 1.3689512164608724
Energy: 0.8296440941954857
Energy: 1.3410059912833736
Energy: 0.9416957944119844
Energy: 0.9419785082580316
Energy: 0.9418809312721179
Energy: 1.3705771448212722
Energy: 1.0819072145373065
Energy: 1.158115924465439
Energy: 0.9424147148820056
Energy: 0.9459691137020694
Energy: 1.050249272741888
Energy: 1.3530650726214162
Energy: 1.0831676956446776
Energy: 1.1573685823389874
Energy: 1.1571547705066032
Energy: 0.9461821306524238
Energy: 1.1571508081936517
Energy: 1.3508020715360958
Energy: 0.8464811065523539
Energy: 1.3400301442916804
Energy: 1.0528663552054622
Energy: 0.9485644015835358
Energy: 1.1565731422617753
Energy: 1.1498946556138958
Energy: 0.05819844486174157
Energy: 1.3607954404066838
Energy: 1.1606126048895227
Energy: 0.9437623033527495
Energy: 1.0531707503236247
Energy: 1.3607580637719494
Energy: 1.0653055495227344
Energy: 1.36278652226616
Energy: 1.3795640965847704
Energy: 0.9480514597019088
Energy: 1.3785960370682244
Energy: 1.370894932159964
Energy: 0.04822077517165598
Energy: 1.3669404785194796
Energy: 1.3672244747870375
Energy: 1.0722871149642021
Energy: 1.3622414219964765
Energy: 1.3639494752379369
Energy: 0.10962675464164613
Energy: 1.3746721516240332
Energy: 1.3659682917003375
Energy: 1.2070091024391174
Energy: 1.3611029610247658
Energy: 1.3775088036959764
Energy: 1.0643137263533697
Energy: 1.3744458829279993
Energy: 1.3718096117749599
Energy: 1.0550744616112526
Energy: 1.3746819072701253
Energy: 1.3749657880150945
Energy: 0.35807487052319886
Energy: 1.3732388631253598
Energy: 1.3737001802620088
Energy: 1.372091734514502
Energy: 1.3765990386596898
Energy: 1.3738631231451517
Energy: 0.2469865810308715
Energy: 1.3050812462057184
Energy: 1.3748113624839868
Energy: 1.3486504847394807
Energy: 1.3769721325447803
Energy: 1.2693748539338252
Energy: 0.04746509644359279
Energy: 1.2724773506791143
Energy: 1.3821532777386738
Energy: 1.372919582659653
Energy: 1.3664145314092828
Energy: 1.2725074305125414
Energy: 0.03750324605755363
Energy: 1.2834813508420664
Energy: 1.3677297441552598
Energy: 1.377134005841514
Energy: 1.2831388477634347
Energy: 1.2435020125084248
Energy: 1.049996411687329
Energy: 1.2692407672658768
Energy: 1.3661214471007095
Energy: 1.3601626853421025
Energy: 1.270847972477615
Energy: 1.2911160952528011
Energy: 1.0576583799271846
Energy: 1.2458514193578876
Energy: 1.3690293900955757
Energy: 1.3843830147545588
Energy: 1.2836842145060865
Energy: 1.2446954278178175
Energy: 1.0615396614933976
Energy: 1.2419085117545803
Energy: 1.3336933069445305
Energy: 1.3631863343080313
Energy: 1.3350068307196683
Energy: 1.2419019642950366
Energy: 1.0622800838427668
Energy: 1.241439322957301
Energy: 1.3335121718864753
Energy: 0.9275182073526201
Energy: 1.3330190629530514
Energy: 1.2425766732187058
Energy: 1.0621260827873653
Energy: 1.0444960145560924
Energy: 1.3344210413512774
Energy: 1.3782523669064857
Energy: 1.333708299864076
Energy: 1.0444336007892414
Energy: 1.0677198402738228
Energy: 1.0437780871384088
Energy: 1.334556261042093
Energy: 1.3780729464136388
Energy: 1.3365557969561048
Energy: 1.0430109636963412
Energy: 1.058532661397575
Energy: 1.0449823965328446
Energy: 1.3748207946202393
Energy: 1.3651990939501977
Energy: 1.0444337412647926
Energy: 1.0446936204688975
Energy: 1.0438932396669207
Energy: 1.0519878066097286
Energy: 1.362929913752058
Energy: 1.3878035905585324
Energy: 1.0504817267570503
Energy: 1.051808199844843
Energy: 0.03034088159821986
Energy: 1.065278198780151
Energy: 1.3596373953156895
Energy: 1.3682097457387272
Energy: 1.0444056805439186
Energy: 1.0471892687352973
Energy: 0.04506458581258109
Energy: 1.0468572264854783
Energy: 1.346037650388179
Energy: 1.37296322322273
Energy: 1.3548519143553306
Energy: 1.0466908946991247
Energy: 0.36637232740534614
Energy: 0.4934690763027621
Energy: 1.358037268215238
Energy: 1.3829680524403756
Energy: 1.3577229963440032
Energy: 0.8478864054827377
Energy: 0.3828335210856867
Energy: 1.3601492357607239
Energy: 1.3571885354498177
Energy: 1.3891420242573262
Energy: 1.3571221647662097
Energy: 1.3598581903292224
Energy: 1.0678203537597026
Energy: 1.3604884956616454
Energy: 1.3560636472167056
Energy: 1.3588138350939112
Energy: 1.3570600537293194
Energy: 1.3601721067235717
Energy: 0.407525152566607
Energy: 1.3557141827585475
Energy: 1.3786505441170975
Energy: 1.3769109500703707
Energy: 1.3826342968620977
Energy: 1.3565121244187197
Energy: -0.018949841567431323
Energy: 1.3877030760580955
Energy: 1.39075634318377
Energy: 1.157892855246128
Energy: 1.375501864254036
Energy: 1.3811113871633545
Energy: 1.0658365437331614
Energy: 1.3791506182105595
Energy: 1.387960229421074
Energy: 1.1992393030721604
Energy: 1.3776681732221907
Energy: 1.3499276774159725
Energy: 0.36461443556410356
Energy: 1.3789208435972933
Energy: 1.358443870021
Energy: 1.0431972312270852
Energy: 1.3767859220884133
Energy: 1.3783811129760049
Energy: 0.9492069742552458
Energy: 1.3611043965320355
Energy: 1.3669133706113366
Energy: 1.0507461964802436
Energy: 1.3621596571299452
Energy: 1.3735308960188912
Energy: 1.1057597517181743
Energy: 1.3613583994605174
Energy: 1.364995851649178
Energy: 1.2029911006557383
Energy: 1.3619077742445833
Energy: 1.3649963583737132
Energy: 1.0590391849778087
Energy: 1.3632150784033186
Energy: 1.193421543552106
Energy: 0.9393011083585913
Energy: 1.3631549018465727
Energy: 1.3934640372706486
Energy: 0.9286364277062099
Energy: 1.2814913916077795
Energy: 1.1573125800335364
Energy: 0.9445964564129534
Energy: 1.1575354120433792
Energy: 1.3688522292389145
Energy: 0.03038368331794762
Energy: 1.2498920113934227
Energy: 1.1593089870081776
Energy: 0.9432220378198894
Energy: 1.157441575628369
Energy: 1.3678937453009263
Energy: 1.0739448196798969
Energy: 1.161803447065751
Energy: 1.1607890475658644
Energy: 0.9469930986092225
Energy: 1.1604340905440396
Energy: 1.389878303831966

minimum gb energy = -0.018949841567431323 eV
minimum distance =  2.3143051513437 Angstroms
sigma value = 43


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

Energy: 1.0358997799725835
Energy: 1.0329359911731768
Energy: 1.0321514974842265
Energy: 1.0307973422497647
Energy: 1.0328711597413351
Energy: 1.5639999108726979
Energy: 1.030435412386594
Energy: 1.5075294783852236
Energy: 1.0276000142348929
Energy: 1.0267428507905476
Energy: 1.027503103187202
Energy: 1.5263828187592665
Energy: 0.9390671631402321
Energy: 1.504197592523306
Energy: 1.026962441490182
Energy: 1.027216661984965
Energy: 1.0266694174784365
Energy: 1.4984813621710427
Energy: 1.0138191545666275
Energy: 1.2913609751009245
Energy: 1.02950135276033
Energy: 1.0299187533478524
Energy: 1.030526396322413
Energy: 1.548190791792635
Energy: 1.014928345284241
Energy: 1.2903397167135948
Energy: 1.2901185511934739
Energy: 1.0320094953151124
Energy: 1.2900142071317657
Energy: 1.5362028730966353
Energy: 0.9398405328049934
Energy: 1.503176957332422
Energy: 1.2902187791779849
Energy: 1.0361083337309096
Energy: 1.2906414537647555
Energy: 1.5024180453189626
Energy: 1.0293016167690041
Energy: 1.525453628117975
Energy: 1.293953346492147
Energy: 1.0281868044973037
Energy: 1.2963967844470068
Energy: 1.5253371803004332
Energy: 1.0168994075594955
Energy: 1.5237821677412515
Energy: 1.5203050774169082
Energy: 1.0275500819851038
Energy: 1.5196894221422563
Energy: 1.5208155781082762
Energy: 1.0312977665971619
Energy: 1.5363457618436394
Energy: 1.5277485549559497
Energy: 1.031386279721127
Energy: 1.5228179331810219
Energy: 1.523881530360433
Energy: 1.0258798240087403
Energy: 1.5183055110428003
Energy: 1.5236997572900244
Energy: 1.0354006102921707
Energy: 1.52330791283013
Energy: 1.520097531751394
Energy: 1.02972743547632
Energy: 1.5233648384828058
Energy: 1.532968758945814
Energy: 1.0266420298210082
Energy: 1.5247455580606801
Energy: 1.502637619121528
Energy: 1.028623098633464
Energy: 1.5253107699376773
Energy: 1.524292450213455
Energy: 1.021157991935395
Energy: 1.5245676176256588
Energy: 1.5240570932771218
Energy: 1.0275997073932142
Energy: 1.3354009104904814
Energy: 1.5320570710213592
Energy: 1.5102257289841108
Energy: 1.5255824517971261
Energy: 1.292104305514846
Energy: 1.031534774007993
Energy: 1.290343133220723
Energy: 1.5362099715284019
Energy: 1.3341393529304804
Energy: 1.5065380427225197
Energy: 1.2900477467069773
Energy: 1.0356736905107617
Energy: 1.2908250237753578
Energy: 1.4981955605350328
Energy: 1.5253709996046978
Energy: 1.2948222808991878
Energy: 1.290291958828947
Energy: 1.0326443281834194
Energy: 1.2948777338289683
Energy: 1.5112268053118134
Energy: 1.5216394500406925
Energy: 1.2946371149914664
Energy: 1.030677716132893
Energy: 1.026301117985795
Energy: 1.0279949102226997
Energy: 1.528573300739964
Energy: 1.5630648870028971
Energy: 1.2907466754442778
Energy: 1.0280705796039917
Energy: 1.0242013381351693
Energy: 1.0268098981828364
Energy: 1.5035276278467076
Energy: 1.5370453224534728
Energy: 1.294543072101278
Energy: 1.0270164289113077
Energy: 1.0285530704301604
Energy: 1.0291280185967362
Energy: 1.2904131740349822
Energy: 1.0142456105594098
Energy: 1.2905366580145519
Energy: 1.0290666462984799
Energy: 1.0322577621632913
Energy: 1.2905531300035877
Energy: 1.2918324966230452
Energy: 1.5732813973428212
Energy: 1.2910903802570157
Energy: 1.2907886112861304
Energy: 1.036193747158706
Energy: 1.291098689422525
Energy: 1.502789582267859
Energy: 1.3398953337854445
Energy: 1.2905660234201537
Energy: 1.2906972044258402
Energy: 1.028741792161483
Energy: 1.2929477725702956
Energy: 1.5261925390305167
Energy: 1.3344654743067597
Energy: 1.5254099782827693
Energy: 1.292921459550383
Energy: 1.0267165195832872
Energy: 1.5200985538665865
Energy: 1.5388972214666439
Energy: 1.0137748787395742
Energy: 1.5390720657437704
Energy: 1.3385273612423867
Energy: 1.0306471922479377
Energy: 1.5225398132035728
Energy: 1.5362551727083877
Energy: 1.0332661939810817
Energy: 1.5256475223387853
Energy: 1.5021238906476797
Energy: 1.0281146582542287
Energy: 1.5229878315704382
Energy: 1.518757844164348
Energy: 1.0275969951702526
Energy: 1.521639082225261
Energy: 1.525005099976545
Energy: 1.0359303133539566
Energy: 1.522141529954825
Energy: 1.5240871443858834
Energy: 1.033329483797903
Energy: 1.5246952569184444
Energy: 1.5189814809710127
Energy: 1.0125697893102665
Energy: 1.524474690412119
Energy: 1.5248216417698068
Energy: 1.0341766564653803
Energy: 1.525646905764274
Energy: 1.5245283716904416
Energy: 1.0167192277228516
Energy: 1.5248563137119595
Energy: 1.336518807650868
Energy: 1.0271088706647766
Energy: 1.5206025075497844
Energy: 1.5084824236639458
Energy: 1.03237720034735
Energy: 1.5248735841614862
Energy: 1.290821843468848
Energy: 1.0303515606680989
Energy: 1.2908797241757075
Energy: 1.5361401676894542
Energy: 1.0321159764788181
Energy: 1.50551757587397
Energy: 1.2912027241026662
Energy: 1.0329748037779107
Energy: 1.0353478569599426
Energy: 1.5368187949454266
Energy: 0.9962258866640653
Energy: 1.2932557907692679
Energy: 1.2932681092572136
Energy: 1.0315140895912052
Energy: 1.2932980815508437
Energy: 1.5314888698360754

minimum gb energy = 0.9390671631402321 eV
minimum distance =  2.31910084921154 Angstroms
sigma value = 57


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

Energy: 2.35811508831426
Energy: 1.1439965914849488
Energy: 1.144976407578434
Energy: 1.4203208908632523
Energy: 1.1439269496771611
Energy: 1.1385087431733116
Energy: 1.1381212467738677
Energy: 1.4801806029833007
Energy: 1.1385714272083711
Energy: 1.138298907916448
Energy: 1.1383854751444533
Energy: 1.7658679499951704
Energy: 1.1381287935207038
Energy: 1.7802948383212167
Energy: 1.1378569314894744
Energy: 1.136759009994789
Energy: 1.1376587138450756
Energy: 1.7574112815828393
Energy: 1.1282251486162784
Energy: 1.4810958675849073
Energy: 1.1404006874210733
Energy: 1.1420462882739573
Energy: 1.1406674889303055
Energy: 1.1225019342585805
Energy: 1.1273349404651165
Energy: 1.4801627038953555
Energy: 1.480147807872785
Energy: 1.1456241591264082
Energy: 1.4802656284612161
Energy: 1.1215578812090652
Energy: 1.1389578880085538
Energy: 1.7620224587725308
Energy: 1.4805329806908254
Energy: 1.1421511042384762
Energy: 1.480993791430745
Energy: 1.5215558269287661
Energy: 1.139697881387368
Energy: 1.7657908197821655
Energy: 1.4828907791667494
Energy: 1.141715877350987
Energy: 1.14363984767519
Energy: 1.516794692334239
Energy: 1.128534909772026
Energy: 1.763122991621795
Energy: 1.5221708193632468
Energy: 1.14089315672103
Energy: 1.7794524229730753
Energy: 1.7580756744315404
Energy: 1.1399972474734283
Energy: 1.7785044176954836
Energy: 1.7726719357410425
Energy: 1.1386150108468258
Energy: 1.7627383179585128
Energy: 1.5226020289787519
Energy: 1.1419999410422659
Energy: 1.483731609365194
Energy: 1.7656323546648156
Energy: 1.140022367214982
Energy: 1.7666589835641666
Energy: 1.142860226162593
Energy: 1.1478528734839952
Energy: 1.480862180566231
Energy: 1.7745517246405489
Energy: 1.1389097090887814
Energy: 1.757586712392754
Energy: 1.1411692721239581
Energy: 1.1463291199575703
Energy: 1.4800759969825759
Energy: 1.4803395327723485
Energy: 1.1273077505777296
Energy: 1.4800184171114925
Energy: 1.141702220602156
Energy: 1.1423980453549747
Energy: 1.1408765133580667
Energy: 1.7750168076394384
Energy: 1.7624963637808315
Energy: 1.4820877006453872
Energy: 1.1407534207289467
Energy: 1.136152023401146
Energy: 1.1377926781986212
Energy: 1.758545463195303
Energy: 1.138232201564007
Energy: 1.4827172756251095
Energy: 1.1380100141293368
Energy: 1.137232183087839
Energy: 1.1382550857240945
Energy: 1.7592879456222543
Energy: 1.139053690560131
Energy: 1.4808126344021109
Energy: 1.1383764250108015
Energy: 1.1447722454007676
Energy: 1.1426159629503563
Energy: 1.5161391694323219
Energy: 1.1238126718937473
Energy: 1.483491107138827
Energy: 1.1425723649494772
Energy: 1.1465428821533765
Energy: 1.4797854702480548
Energy: 1.480199985282162
Energy: 1.1403549216307873
Energy: 1.4801355825202065
Energy: 1.1532139754489261
Energy: 1.1449349951790027
Energy: 1.479971178930089
Energy: 1.7612814900062845
Energy: 1.1387113621702598
Energy: 1.4795059690264387
Energy: 1.4798290930111377
Energy: 1.1410614511966348
Energy: 1.1433431806759138
Energy: 1.7633713260074773
Energy: 1.1468808176177152
Energy: 1.7656182361085204
Energy: 1.14321448155787
Energy: 1.1412166742017003
Energy: 1.764730693099974
Energy: 1.7621461970101664
Energy: 1.148864929881663
Energy: 1.7648691530754121
Energy: 1.517818100438252
Energy: 1.13396825600997
Energy: 1.7633336965643744
Energy: 1.5192653132597007
Energy: 1.1404736161682172
Energy: 1.7627478006504826
Energy: 1.1322992626895416
Energy: 1.1394774181710847
Energy: 1.767505137308126
Energy: 1.4813774489128475
Energy: 1.1434144462912783
Energy: 1.4810363866714498
Energy: 1.5181627303715766
Energy: 1.138208563101702
Energy: 1.7592680816100732
Energy: 1.482293943331533
Energy: 1.142982848489767
Energy: 1.483363101995116
Energy: 1.7807182498092158
Energy: 1.1244430614746246
Energy: 1.4821579795940565
Energy: 1.1452820794622514
Energy: 1.1461382400209124
Energy: 1.4818691282946663
Energy: 1.7593554838331302

minimum gb energy = 1.1215578812090652 eV
minimum distance =  2.30012356324909 Angstroms
sigma value = 17


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

Energy: 3.2138006764862306
Energy: 1.2979210500990161
Energy: 1.2998990616446182
Energy: 1.2994069793732024
Energy: 1.2964858117736453
Energy: 2.124846327191601
Energy: 1.2975390833343865
Energy: 1.7491380482602266
Energy: 1.2919619280872974
Energy: 1.2928851601267124
Energy: 1.2916917268351975
Energy: 1.293683685986576
Energy: 1.2961923504614454
Energy: 1.7543597128484496
Energy: 1.2912989422036498
Energy: 1.2912695813023134
Energy: 1.2909839532353586
Energy: 1.2961369283278328
Energy: 1.2806130914584293
Energy: 1.7485250504313066
Energy: 1.2944857836477057
Energy: 1.2956333831848559
Energy: 1.294366660781063
Energy: 1.4103494275006883
Energy: 1.2825024696885374
Energy: 1.4078858444864422
Energy: 1.294882471219826
Energy: 1.3005588073953416
Energy: 1.7489184197971854
Energy: 1.4072296395636161
Energy: 1.2968596328527768
Energy: 1.407893946021554
Energy: 1.752560168567737
Energy: 1.2862149024954665
Energy: 1.7518166428850963
Energy: 1.2951226048572806
Energy: 1.3014475878465785
Energy: 1.7502086678709197
Energy: 1.2949046783374503
Energy: 1.298572679671137
Energy: 1.4084990794962273
Energy: 1.2940477447419332
Energy: 1.3020661625651726
Energy: 1.7509677383925397
Energy: 1.2926792017408386
Energy: 1.2982770712301177
Energy: 1.7520782073087195
Energy: 1.2942478242733695
Energy: 1.3013817840656454
Energy: 1.2946914740975686
Energy: 1.2851129051365926
Energy: 1.2858288060997756
Energy: 1.7487056139935118
Energy: 1.296702586260693
Energy: 1.2936989083331767
Energy: 1.2933557278826655
Energy: 1.4088772328924264
Energy: 1.28652104994388
Energy: 1.7479429118466838
Energy: 1.2932214237627702
Energy: 1.2898575607284883
Energy: 1.291313898778462
Energy: 1.2958406280286772
Energy: 1.2965213921009175
Energy: 1.2909788205756236
Energy: 1.2913295011035217
Energy: 1.294796296841704
Energy: 1.293699964506254
Energy: 1.4105109354120997
Energy: 1.2809268031364656
Energy: 1.748218499232948
Energy: 1.2938311041625559
Energy: 1.300635301274335
Energy: 1.7490045315043932
Energy: 1.4092229327836934
Energy: 1.2810965768026672
Energy: 1.748353372635263
Energy: 1.2975709201957601
Energy: 1.286216437813397
Energy: 1.752871956198326
Energy: 1.760452465850716
Energy: 1.297110557500582
Energy: 1.7551486985697868
Energy: 1.2832953898499944
Energy: 1.2994466085584202
Energy: 1.7493985360790183
Energy: 1.2951812518801669
Energy: 1.2996672901077648
Energy: 1.408455504970947
Energy: 1.2944589768474273
Energy: 1.297280704100458
Energy: 1.4080483709131366
Energy: 1.7531491163172053
Energy: 1.2931598008081067
Energy: 1.7528325717232462
Energy: 1.2951581779165453
Energy: 1.2850331595878064
Energy: 1.74791726584675
Energy: 1.2959169648766047
Energy: 1.3019477201074252
Energy: 1.7479451059943272
Energy: 1.2856436232861665

minimum gb energy = 1.2806130914584293 eV
minimum distance =  2.32211321915737 Angstroms
sigma value = 17


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

Energy: 1.4140552012593683
Energy: 1.2329408830226571
Energy: 1.2351014110132053
Energy: 1.2347268910271092
Energy: 1.2330811500069787
Energy: 1.2343356663180116
Energy: 1.3201378532453882
Energy: 1.3205959937498566
Energy: 1.3206227389527452
Energy: 1.3218842875096772
Energy: 1.320484684102298
Energy: 1.314653666080696
Energy: 1.3262807176549902
Energy: 1.6021266894549218
Energy: 1.3203548770610798
Energy: 1.3203703538548088
Energy: 1.3199063008992982
Energy: 1.2334651135886778
Energy: 1.4036778910386865
Energy: 1.321314871356635
Energy: 1.3220294426928654
Energy: 1.3268923535055703
Energy: 1.3222166837107168
Energy: 1.582152631076443
Energy: 1.3303518433020138
Energy: 1.5792151484485513
Energy: 1.3271092607394765
Energy: 1.329480074043664
Energy: 1.3209752667886916
Energy: 1.5808086971463522
Energy: 1.3250525915004858
Energy: 1.3237814371204593
Energy: 1.2296648168488697
Energy: 1.2345132056178811
Energy: 1.3227882269829825
Energy: 1.3244444622612028
Energy: 1.320064627868889
Energy: 1.3203579425622387
Energy: 1.32801385393785
Energy: 1.328604110321607
Energy: 1.3249656211541416
Energy: 1.3204280998288567
Energy: 1.3206805143269797
Energy: 1.3206360141062259
Energy: 1.3225060403734563
Energy: 1.3223550206648504
Energy: 1.3205949138206208
Energy: 1.320796888876533
Energy: 1.3279971289788992
Energy: 1.322249069309561
Energy: 1.597216362965696
Energy: 1.3216726047766756
Energy: 1.3228646759055884
Energy: 1.3229897354531217
Energy: 1.7448240152735093
Energy: 1.321379437496159
Energy: 1.3227870081770972
Energy: 1.4146568618146795
Energy: 1.320431484148049
Energy: 1.321507501096792
Energy: 1.4917551220146466
Energy: 1.3210146888914371
Energy: 1.2350078047121238
Energy: 1.326170766571657
Energy: 1.664834926225583
Energy: 1.321057547560005
Energy: 1.7381137464645182
Energy: 1.3221955396235379
Energy: 1.2317091204232578
Energy: 1.236571524313936
Energy: 1.2316821647085134
Energy: 1.3228754722171883
Energy: 1.4206136367986866
Energy: 1.2318883138697485
Energy: 1.2313430037074984
Energy: 1.313281519569139
Energy: 1.2314810802966718
Energy: 1.3270929142595749
Energy: 1.2345743548486325
Energy: 1.2335132680742202
Energy: 1.234193745528794
Energy: 1.2342162198379072
Energy: 1.235289079581714
Energy: 1.9031189769063666
Energy: 1.41169124737187
Energy: 1.231547007762993
Energy: 1.2313108007679272
Energy: 1.2328902672795203
Energy: 1.2312959933235559
Energy: 1.5979164018708993
Energy: 1.4180574993355037
Energy: 1.2312438475771104
Energy: 1.2306719112543794
Energy: 1.2309839672750704
Energy: 1.2309910012245129
Energy: 1.2350352397510822
Energy: 1.3260480822355631
Energy: 1.2325085033071437
Energy: 1.2323635364674173
Energy: 1.2345007082477713
Energy: 1.2321524292208001
Energy: 1.5808423591929874
Energy: 1.326137406867038
Energy: 1.5994423907171307
Energy: 1.2328731541357498
Energy: 1.6179038498783758
Energy: 1.2328793288837023
Energy: 1.5807999520930816
Energy: 1.4189142694930887
Energy: 1.6653293632288197
Energy: 1.2312550667071593
Energy: 1.2323526768663053
Energy: 1.2313736440844913
Energy: 1.326604206232787
Energy: 1.7191981647445025
Energy: 1.3210637610238498
Energy: 1.2328048253563333
Energy: 1.6194359913424612
Energy: 1.5995376430031538
Energy: 1.321788155904468
Energy: 1.4923346718707666
Energy: 1.3209285611135513
Energy: 1.3259249885747983
Energy: 1.3236272412403143
Energy: 1.3226060425742137
Energy: 1.3211376228214204
Energy: 1.3292450187963294
Energy: 1.3231015958430754
Energy: 1.2314829992827003
Energy: 1.4080007993237293
Energy: 1.3222560792971785
Energy: 1.3239609077698886
Energy: 1.3234551422329854
Energy: 1.3216212419690303
Energy: 1.3226696368250523
Energy: 1.7421276155736876
Energy: 1.321484248385836
Energy: 1.3216909247330357
Energy: 1.323746958424371
Energy: 1.3200164564873005
Energy: 1.2351388349671295
Energy: 1.3236345999358319
Energy: 1.3225601685148574
Energy: 1.3200104644490525
Energy: 1.32319449507682
Energy: 1.3214167901002183
Energy: 1.580344348562776
Energy: 1.6528134512311807
Energy: 1.578705398416463
Energy: 1.3217115977129024
Energy: 1.329374181387276
Energy: 1.3192591200492754
Energy: 1.580862433451587
Energy: 1.2319135078448447
Energy: 1.3224473980220244
Energy: 1.325496138806763
Energy: 1.23734469136936
Energy: 1.3218750163031645
Energy: 1.3259472574643667
Energy: 1.3279691062074375
Energy: 1.3208959758233365
Energy: 1.2298132964080004
Energy: 1.2349647442674598
Energy: 1.3202952200879015
Energy: 1.3215918778218152
Energy: 1.323261610853897
Energy: 1.3211566137640498
Energy: 1.5805293797209228
Energy: 1.325291437570378
Energy: 1.3214849385928384
Energy: 1.3201268057370437
Energy: 1.3267641857985495
Energy: 1.3188550046977279
Energy: 1.2348558700725913
Energy: 1.3225088759077253
Energy: 1.322328135977524
Energy: 1.3217941053628648
Energy: 1.3244298884611978
Energy: 1.3218121180903688
Energy: 1.4098156399864268
Energy: 1.3222006327081677
Energy: 1.3214755486759455
Energy: 1.3230593190919677
Energy: 1.4149961404729698
Energy: 1.3231840051404034
Energy: 1.4093445423196944
Energy: 1.3234796858869071
Energy: 1.320366199394109
Energy: 1.3208487462247605
Energy: 1.3221749325577292
Energy: 1.3202976726484374
Energy: 1.2358306641842716
Energy: 1.6502011209833947
Energy: 1.2324320214358124
Energy: 1.3215531475311628
Energy: 1.3230169511254852
Energy: 1.3209413227899547
Energy: 1.232677124936071
Energy: 1.9766507840353258
Energy: 1.231429297775309
Energy: 1.3248647862867309
Energy: 1.419369914536059
Energy: 1.5974399753075834
Energy: 1.2313637270741924
Energy: 1.3276881584468185
Energy: 1.2325952386134498
Energy: 1.8989147727534201
Energy: 1.233185428649794
Energy: 1.2325880743120443
Energy: 1.232511291546658
Energy: 1.2332870539991245
Energy: 1.2319720211260285
Energy: 1.5969657519774714
Energy: 1.233548873176656
Energy: 1.2323329468054185
Energy: 1.232264502839859
Energy: 1.2295829517965184
Energy: 1.2310052206797242
Energy: 1.235040071653574
Energy: 1.4190424304440024
Energy: 1.230764251708226
Energy: 1.230643176232598
Energy: 1.231954508612321
Energy: 1.2313525256549
Energy: 1.5970831437907083
Energy: 1.7402288289148973
Energy: 1.2315431997507156
Energy: 1.2313995541281673
Energy: 1.2345519730986834
Energy: 1.2350718747181981
Energy: 1.3179942756223837
Energy: 1.3263173117313112
Energy: 1.2336712353679065
Energy: 1.23466901088246
Energy: 1.5664009180895926
Energy: 1.2315668881615816
Energy: 1.4100537468016607
Energy: 1.4208623192976206
Energy: 1.2318348821162737
Energy: 1.2315225385994952
Energy: 1.4089130643270773
Energy: 1.2319313110338135
Energy: 1.3225173815377047
Energy: 1.7404290356305288
Energy: 1.3216865686094132
Energy: 1.2315254590667724
Energy: 1.3251351489479826
Energy: 1.8832353016731316
Energy: 1.3209205753216098
Energy: 1.3214041922384556
Energy: 1.321508278049367
Energy: 1.2348364735453061
Energy: 1.7422751616790957
Energy: 1.3234409067857744
Energy: 1.321911755098324
Energy: 1.494610271558195
Energy: 1.321635813515306
Energy: 1.230373643097905

minimum gb energy = 1.2295829517965184 eV
minimum distance =  2.33678233488165 Angstroms
sigma value = 57


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

Energy: 2.711343579998569
Energy: 1.2582511680772124
Energy: 1.2586701393422983
Energy: 1.2592053462776935
Energy: 1.2580946693866673
Energy: 1.083897132463593
Energy: 1.2674270657845286
Energy: 1.262848442768977
Energy: 1.2632254153990656
Energy: 1.267943364716041
Energy: 1.2633131216378146
Energy: 1.2387263424503014
Energy: 1.2637549213993549
Energy: 1.176604698333188
Energy: 1.2637056768307702
Energy: 1.2691280119400052
Energy: 1.2653697658199279
Energy: 1.260002423017293
Energy: 0.2275700880170617
Energy: 1.175712934745223
Energy: 1.2618653663770332
Energy: 1.266191476149506
Energy: 1.2600774464138966
Energy: 1.1612267297032726
Energy: 1.2597371583587846
Energy: 1.1709852936017227
Energy: 1.1622747003289884
Energy: 1.0888474509224044
Energy: 1.1739676713930172
Energy: 1.1628032151805565
Energy: 1.2646729102904293
Energy: 1.259522655181692
Energy: 1.0986188285254934
Energy: 1.110240145153931
Energy: 1.172893390533498
Energy: 1.2602521011792536
Energy: 1.2679629681230473
Energy: 1.2639748228426004
Energy: 1.1616623057314461
Energy: 1.262671519339514
Energy: 1.258220812381513
Energy: 1.2642027854252584
Energy: 1.2680731564842251
Energy: 1.2637242024430875
Energy: 1.2621573492828522
Energy: 1.2673199769333625
Energy: 1.2643022546201086
Energy: 1.2641055719416046
Energy: 1.2640215651888638
Energy: 1.2590023195215556
Energy: 1.16456638950974
Energy: 1.165697560643407
Energy: 1.258468361593789
Energy: 1.2594724962408632
Energy: 1.2583735663549869
Energy: 1.262574751376592
Energy: 1.2629858348524905
Energy: 1.2613602588257402
Energy: 1.2616861963075563
Energy: 1.2629889972421584
Energy: 1.4247103038605953
Energy: 1.2649917825015828
Energy: 1.2558216060870242
Energy: 1.2653168779856119
Energy: 1.6764624857116524
Energy: 1.26501391666774
Energy: 1.262479924432355
Energy: 1.2611134114000322
Energy: 1.2639994735644715
Energy: 1.2678456572236325
Energy: 1.2658953803083266
Energy: 1.2610580245982739
Energy: 1.2681419937263532
Energy: 1.2620842067634572
Energy: 1.2637726749609866
Energy: 1.2664596210776025
Energy: 1.2615565824751327
Energy: 1.2515515913496205
Energy: 0.21375113340491436
Energy: 1.2566380641541925
Energy: 1.2565297355277358
Energy: 1.263171674169826
Energy: 1.2555221459472823
Energy: 1.0800557821068564
Energy: 1.4242912798026608
Energy: 1.2627829460788123
Energy: 1.2628792157343944
Energy: 1.267889429007562
Energy: 1.2633831815358683
Energy: 1.2624553893777883
Energy: 1.264616549812827
Energy: 1.1750090496938992
Energy: 1.263550928345169
Energy: 1.2686283949337154
Energy: 1.2661432127945824
Energy: 1.2592178917070724
Energy: 0.22696447976617332
Energy: 1.1763933092801624
Energy: 1.2619852745963527
Energy: 1.2660979461686679
Energy: 1.263072678687487
Energy: 1.1620205486468773
Energy: 1.2603499153499453
Energy: 1.1715304530969255
Energy: 1.1625896298945633
Energy: 1.260908992735747
Energy: 1.1745046209882113
Energy: 1.1624962327108894
Energy: 1.26457286050633
Energy: 0.684527728637938
Energy: 1.0977361837312478
Energy: 1.11127706742938
Energy: 1.172142779655469
Energy: 1.2590523780474228
Energy: 1.2676679505246162
Energy: 1.2635144118259196
Energy: 1.1613557582028757
Energy: 1.2618600518378478
Energy: 1.1747934386383079
Energy: 1.2641325173185876
Energy: 1.267552021282312
Energy: 1.2639399766570538
Energy: 1.2640836229174013
Energy: 1.2672217117270999
Energy: 1.2642973176655707
Energy: 1.2639971030685677
Energy: 1.26460260271903
Energy: 1.2596018026950833
Energy: 1.1649814291225729
Energy: 1.268542653254894
Energy: 1.2586712285159714
Energy: 1.2606837686697256
Energy: 1.2597534431255504
Energy: 1.2621140941814974
Energy: 1.2621978494716801
Energy: 0.12536843019796043
Energy: 1.2606663727551157
Energy: 1.262047384303735
Energy: 1.4252828989180495
Energy: 1.2630464346817736
Energy: 1.253212894665721
Energy: 1.2661166892541333
Energy: 0.18428966148664244
Energy: 1.2658091468802382
Energy: 1.2622236174758492
Energy: 1.261261826735851
Energy: 1.263505876749494
Energy: 1.2671661456870524
Energy: 1.2626951231737742
Energy: 1.2616494039055488
Energy: 1.2680929373164849
Energy: 1.2620112084056019
Energy: 1.2642757856501357
Energy: 1.2669239309682758
Energy: 1.2631710464896773
Energy: 1.2534492023967807
Energy: 0.22986231516757993
Energy: 1.2574841228735125
Energy: 1.2553845342470005
Energy: 1.2625059649770884
Energy: 1.2586040659965179
Energy: 1.0873318744728282

minimum gb energy = 0.12536843019796043 eV
minimum distance =  2.38748920128867 Angstroms
sigma value = 43


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

Energy: 3.571316407271253
Energy: 1.3426156800452387
Energy: 1.346356794692383
Energy: 1.3462284110826055
Energy: 1.3471913798089932
Energy: 1.3148559014523287
Energy: 1.31909077164144
Energy: 1.405839239293338
Energy: 1.4054758931385796
Energy: 1.4093352090789724
Energy: 1.4056705187888188
Energy: 1.7330335929758849
Energy: 1.5140092719842075
Energy: 1.408319588392533
Energy: 1.4049315361560537
Energy: 1.407353388788343
Energy: 1.405102775397859
Energy: 1.4079652305715382
Energy: 0.6463006032394828
Energy: 1.31730218986113
Energy: 1.4085321505516413
Energy: 1.408857472857203
Energy: 1.6976433959998574
Energy: 1.3157091468044688
Energy: 1.513456865506575
Energy: 1.3160894830854375
Energy: 1.40929218649447
Energy: 1.4936226073987842
Energy: 1.409633312829022
Energy: 1.3159571360000435
Energy: 1.3191174459375468
Energy: 1.3180754843736722
Energy: 1.3151058852797708
Energy: 1.3150574878864274
Energy: 1.317619936140565
Energy: 1.317825216040985
Energy: 1.3171954800844567
Energy: 1.315271987439687
Energy: 1.410096921508824
Energy: 1.406969191014555
Energy: 1.3154784856437909
Energy: 1.3153614339898059
Energy: 1.3162302812581732
Energy: 1.3148368993275201
Energy: 1.4104088401590702
Energy: 1.4079979530575857
Energy: 1.3150211751119154
Energy: 1.3149990471992006
Energy: 1.3182987799490313
Energy: 1.3175067185992586
Energy: 1.4097222088391645
Energy: 1.314482730096718
Energy: 1.3161441824020494
Energy: 1.3176869360874675
Energy: 0.8015777415982547
Energy: 1.3166340949688993
Energy: 1.409189827434706
Energy: 1.5127966099003811
Energy: 1.408875314765873
Energy: 1.3164869447869703
Energy: 1.49508526194809
Energy: 1.3174870432839274
Energy: 1.408639162940969
Energy: 1.4092581821854868
Energy: 1.6983140032655177
Energy: 1.3145078760084326
Energy: 1.5133902735045008
Energy: 1.3162713865034843
Energy: 1.4056571184911808
Energy: 1.4082817889374328
Energy: 1.4054726793770678
Energy: 1.407903775196352
Energy: 1.4084496824098895
Energy: 1.4059858874605011
Energy: 1.4053290254907167
Energy: 1.4084254789499784
Energy: 1.4051964270794386
Energy: 1.410166739311662
Energy: 1.449585245065677
Energy: 1.4066157218649018
Energy: 1.4091009983499554
Energy: 1.4090958189974216
Energy: 1.4088585166758463
Energy: 1.4067532245071435
Energy: 1.404134054749618
Energy: 1.4057537515053502
Energy: 1.4066805491444718
Energy: 1.407214385181426
Energy: 1.4062078702001761
Energy: 1.4055606197988124
Energy: 1.5137052899097347
Energy: 1.4071428159632444
Energy: 1.4055313606739446
Energy: 1.4068953937180475
Energy: 1.4055194883155138
Energy: 1.407938463118149
Energy: 1.5148661760089643
Energy: 1.40527447935126
Energy: 1.4076174177933758
Energy: 1.513244768977814
Energy: 1.582001821489328
Energy: 1.4054296721978303
Energy: 1.5147023651733142
Energy: 1.4055983338011742
Energy: 1.4055947356795873
Energy: 0.4484086953720976
Energy: 1.4055081193246257
Energy: 1.4064551369838063
Energy: 1.3458446542167695
Energy: 0.6830798749513767
Energy: 1.3198736767254298
Energy: 1.31451301589566
Energy: 0.6926904127670669
Energy: 1.3464183132292609
Energy: 1.4082416105014122
Energy: 1.4055272125183247
Energy: 1.4055834891030297
Energy: 1.3158494172114856
Energy: 1.4055821484084712
Energy: 1.4053960320832595
Energy: 1.406293330466356
Energy: 1.4050604404412754
Energy: 1.3167207599596358
Energy: 1.5132927896992994
Energy: 1.4048515519388018
Energy: 1.4049647792244095
Energy: 1.4089853740718064
Energy: 1.4084143034449068
Energy: 1.3177843683771229
Energy: 1.3158285944890167
Energy: 1.3177181100565605
Energy: 1.4084036933958377
Energy: 1.493786960961576
Energy: 1.409034134424548
Energy: 1.3160104544179723
Energy: 1.406962755067458
Energy: 1.3172995711648907
Energy: 1.4088392124013067
Energy: 1.4953318937028095
Energy: 1.3162004303129071
Energy: 1.3177934097193267
Energy: 1.3189188556119127
Energy: 1.3172851036562931
Energy: 1.3149568909880012
Energy: 1.4070270881852243
Energy: 1.409451905483751
Energy: 1.315331627441016
Energy: 1.3186319272957394
Energy: 1.315264984836086
Energy: 1.5125198232466743
Energy: 1.4080119324956135
Energy: 1.3190551507108268
Energy: 1.315034300588332
Energy: 1.3176077684422711
Energy: 1.3148288473715475
Energy: 1.511949321609118
Energy: 1.509360382263618
Energy: 1.3164144311758745
Energy: 1.3175813215956949
Energy: 1.3183576581091379
Energy: 1.317633326877246
Energy: 1.314352466581944
Energy: 0.8060266012398857
Energy: 1.408875790585844
Energy: 1.3164393052504342
Energy: 1.5126258808974342
Energy: 1.316149583324226
Energy: 1.4088861066220633
Energy: 1.4093939058235485
Energy: 1.4084012808995914
Energy: 1.3172538042075501
Energy: 1.315228754905717
Energy: 1.317670467720611
Energy: 1.4087029396509605
Energy: 1.4071480672492178
Energy: 1.405639634416029
Energy: 1.3165252380804133
Energy: 1.513277620548115
Energy: 1.406873333790351
Energy: 1.4055165932294176
Energy: 1.40753623975242
Energy: 1.4052390286065943
Energy: 1.4055740036413755
Energy: 1.4067111112099968
Energy: 1.4053742962291018
Energy: 1.4052051144244657
Energy: 1.409021397830805
Energy: 1.4091038903222701
Energy: 1.4077596858043397
Energy: 1.3139743628643552
Energy: 1.4078845707913836
Energy: 1.408977224330727
Energy: 1.5133806961164105
Energy: 1.4065389023772148
Energy: 1.4056827203531443
Energy: 1.4038732039653767
Energy: 1.4056047439011166
Energy: 1.406565280781326
Energy: 1.4949955492144087
Energy: 1.4053602741071394
Energy: 1.4077678227771653
Energy: 1.513119781974321
Energy: 1.407691960348038
Energy: 1.405591526473981
Energy: 1.5136685698578793
Energy: 1.4073931090629999
Energy: 1.4053676436568274
Energy: 1.4076173480178353
Energy: 1.4054674993209177
Energy: 1.4077366135930525
Energy: 0.9745227316425248
Energy: 1.4054402039548728
Energy: 1.4057456187018333
Energy: 1.4076498115113427
Energy: 1.4055378111295294
Energy: 2.068488312286269

minimum gb energy = 0.4484086953720976 eV
minimum distance =  2.29064671342478 Angstroms
sigma value = 81


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

Energy: 1.4434892747081467
Energy: 1.5676467686498132
Energy: 1.4472704821345843
Energy: 1.4472808430738369
Energy: 1.5671208844848845
Energy: 1.4436641742695835
Energy: 1.4472271790604987
Energy: 1.5720110491308186
Energy: 1.447170184063618
Energy: 1.4470449513334216
Energy: 1.4475203969384227
Energy: 1.5671005575825236
Energy: 1.5688877021886822
Energy: 1.567202886797093
Energy: 1.447418710373341
Energy: 1.446585735432713
Energy: 1.447369874155973
Energy: 1.5669201309646883
Energy: 1.5665485153081604
Energy: 1.5671718251954707
Energy: 1.447264033867591
Energy: 1.4473102630946073
Energy: 1.5669883434134646
Energy: 1.567195304249275
Energy: 1.566594139557745
Energy: 1.570647398461444
Energy: 1.5671565358228958
Energy: 1.4438308991149016
Energy: 1.5693933526358497
Energy: 1.5671806952182703
Energy: 1.4472836593800262
Energy: 1.4471587825421095
Energy: 1.4438139734994409
Energy: 1.4455353143931327
Energy: 1.5671409397264808
Energy: 1.4475676418646808
Energy: 1.4467881316024176
Energy: 1.4471995022998851
Energy: 1.5673025842685209
Energy: 1.5667557480793899
Energy: 1.5698194472320735
Energy: 1.4473738422628506
Energy: 1.4473440968287619
Energy: 1.4476247448578883
Energy: 1.567384180161323
Energy: 1.5663319948429388
Energy: 1.567274423246651
Energy: 1.447432103463969
Energy: 1.4472566165217826
Energy: 1.4471229892036075
Energy: 1.5670647240645137
Energy: 1.5672794703250232
Energy: 1.5675515440842283
Energy: 1.4471994192296642
Energy: 1.4438410683172165
Energy: 1.5710033239790138
Energy: 1.5673640935471655
Energy: 1.5663521570172365
Energy: 1.5684648148019573
Energy: 1.5671916242125747

minimum gb energy = 1.4434892747081467 eV
minimum distance =  2.32172701729474 Angstroms
sigma value = 3


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

Energy: 3.3243452127107345
Energy: 0.5155236381848127
Energy: 1.1840295367669238
Energy: 1.192314219491635
Energy: 0.502302280395354
Energy: 1.1845700952359002
Energy: 0.5107763777738316
Energy: 1.239268743509193
Energy: 1.5254427962537411
Energy: 1.5344092383296866
Energy: 1.241955689080897
Energy: 0.526101814487877
Energy: 1.522076403472035
Energy: 1.2374735466212141
Energy: 1.5796916616489827
Energy: 1.5193986863822946
Energy: 1.243665830079393
Energy: 1.549265375909454
Energy: 1.532567469464294
Energy: 1.5796178644970982
Energy: 1.2426714543944777
Energy: 0.5250530162015034
Energy: 1.1972375204441943
Energy: 1.5270410125068716
Energy: 1.5317904014374182
Energy: 1.5422821038933525
Energy: 1.241575743229003
Energy: 1.0761074786233742
Energy: 1.2407624319305184
Energy: 1.5490751709323012
Energy: 1.2041198326944837
Energy: 1.1912535162583784
Energy: 1.2063449875538659
Energy: 1.240941756656728
Energy: 1.5172131350536948
Energy: 1.2000060176325047
Energy: 1.8882618044216937
Energy: 1.5351141412340008
Energy: 1.6678481871457982
Energy: 0.5156458161893173
Energy: 1.5742799087843853
Energy: 1.5425046135438552
Energy: 1.8851894270296674
Energy: 1.5751907378006915
Energy: 0.5053385855903808
Energy: 0.5427283850217698
Energy: 0.49339916549373586
Energy: 1.535735777402371
Energy: 1.2505760858287542
Energy: 1.2663039852270936
Energy: 1.2681950913312334
Energy: 1.2742831455368375
Energy: 1.266284775765953
Energy: 1.5387479768452204
Energy: 1.190351181681075
Energy: 1.23950973428007
Energy: 1.243711867948534
Energy: 1.2419595858272174
Energy: 1.2480563821048243
Energy: 1.236430630509237
Energy: 1.8505181436327507
Energy: 1.2352294610961065
Energy: 1.238120526855145
Energy: 1.2487951596159539
Energy: 1.2361924018567556
Energy: 1.5597315516811943
Energy: 1.2509709028330622
Energy: 1.238272694371951
Energy: 1.241563540975418
Energy: 1.1900247294203599
Energy: 1.2404924372242032
Energy: 1.259217623587342
Energy: 1.246586616192121
Energy: 1.2429483835450466
Energy: 1.239619869089883
Energy: 1.1893460578171675
Energy: 1.2502220096835215
Energy: 1.2441852036293028
Energy: 1.2728386531525315
Energy: 1.261162225846274
Energy: 0.5014654320776887
Energy: 1.186936563770203
Energy: 0.5389629472966214
Energy: 1.2512795917972257
Energy: 0.5116823240180216
Energy: 0.5206677572411155
Energy: 1.572713986464711
Energy: 1.5357064873198951
Energy: 1.3724661871795996
Energy: 0.5389957782864379
Energy: 0.5357312619525512
Energy: 1.2367735391009844
Energy: 1.525817504578882
Energy: 1.5409903114409562
Energy: 1.5743112683653377
Energy: 0.5202693059866278
Energy: 0.7198519561024244
Energy: 1.2334879131040886
Energy: 1.5171182566017756
Energy: 1.1980003427543104
Energy: 1.5470524124692362
Energy: 0.6476560984480131
Energy: 0.7676064654401534
Energy: 1.2338633477029564
Energy: 1.5515196500636184
Energy: 1.5321070951101812
Energy: 1.2418856565162015
Energy: 1.3027481494633997
Energy: 0.5372718542278028
Energy: 0.8346857874504328
Energy: 1.523686698802264
Energy: 1.530266374083274
Energy: 1.5377325576905339
Energy: 1.5462664401609143
Energy: 1.5392235919445667
Energy: 1.2421025337289688
Energy: 1.243519024243523
Energy: 1.5422169509502237
Energy: 1.1954330953748775
Energy: 1.5333188871096006
Energy: 1.5415885023456677
Energy: 1.5347764450415278
Energy: 0.8283178470462658
Energy: 0.5250476135130544
Energy: 1.521141057506171
Energy: 1.531705756681161
Energy: 0.5384307969462121
Energy: 1.5158095942705707
Energy: 1.205817998156026
Energy: 1.2393791559093423
Energy: 1.5375817236204503
Energy: 0.5385382441314797
Energy: 1.5745685080299412
Energy: 1.550613184092946
Energy: 1.3709694696915744
Energy: 1.084000523595797
Energy: 1.2381034236825592
Energy: 1.5181696514676086
Energy: 1.88544690148455
Energy: 1.5792448417741416
Energy: 0.5421064332898713
Energy: 0.5406712796163519
Energy: 0.5255247026579707
Energy: 1.9415775923689893
Energy: 1.568619429288337
Energy: 1.2298672555636967
Energy: 0.5427150137727604
Energy: 1.2720411530736957
Energy: 0.5402135905956963
Energy: 1.547396595273361
Energy: 1.2049656663441413
Energy: 0.5419953254844114
Energy: 1.252452031903458
Energy: 1.2710025009906458
Energy: 0.5403219319396675
Energy: 1.237800331869219
Energy: 1.0116778894567702
Energy: 1.2346759206070557
Energy: 1.2403988807987096
Energy: 1.2463284622589994
Energy: 1.2360753367975514
Energy: 1.5453940885005124
Energy: 1.19204193465851
Energy: 1.2387929840675296
Energy: 1.2398978682457928
Energy: 1.1866634335657256
Energy: 1.2405462742998454
Energy: 1.240912625098889
Energy: 1.2477092493224111
Energy: 1.2383903326005987
Energy: 1.188997903340641
Energy: 1.1913982665783944
Energy: 1.237367382572722
Energy: 1.2426683081099914
Energy: 1.2705119640658245
Energy: 1.25386884455827
Energy: 1.2377852034082206
Energy: 1.198751260018433
Energy: 0.5391984914392802
Energy: 1.2518821961707545
Energy: 1.2701739304968789
Energy: 0.5412502052259296
Energy: 1.2404119480410531
Energy: 1.5703098570074971
Energy: 1.2539197891227223
Energy: 0.5420207111837698
Energy: 0.5385958710375253
Energy: 0.5198997585265351
Energy: 1.5785141427708944
Energy: 1.5348401545381218
Energy: 1.546338073256444
Energy: 0.538328896786711
Energy: 1.2677959348045995
Energy: 1.2332454808046525
Energy: 1.5361028256532754
Energy: 1.5743059309449199
Energy: 1.2410239092581268
Energy: 1.3023544663299607

minimum gb energy = 0.49339916549373586 eV
minimum distance =  2.32426052874757 Angstroms
sigma value = 67


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

Energy: 2.1750625979394824
Energy: 1.646409155269506
Energy: 1.1593234445110763
Energy: 1.607276833020699
Energy: 1.1589570453606917
Energy: 1.1556592991508452
Energy: 1.1605152496881719
Energy: 1.7172888235695367
Energy: 1.725398477788707
Energy: 1.6585017468969152
Energy: 1.7164662531608852
Energy: 1.7494065786937403
Energy: 1.6563315433166634
Energy: 1.2123023740011643
Energy: 1.7211997451257781
Energy: 1.6678568885399745
Energy: 1.716492877756631
Energy: 1.65707763232167
Energy: 1.6691697616225247
Energy: 1.7176949751025206
Energy: 1.2148923890103904
Energy: 1.1653229706428951
Energy: 1.2114461951487698
Energy: 1.717970638827007
Energy: 1.655185994320857
Energy: 1.6613368131164856
Energy: 1.7175733235086659
Energy: 1.1601508177301523
Energy: 1.7164914312316673
Energy: 1.657775399187511
Energy: 1.1686228415759103
Energy: 1.1585897983102
Energy: 1.7119454625393278
Energy: 1.663442308368394
Energy: 1.7050288164661205
Energy: 1.1596009127347862
Energy: 2.150908880796698
Energy: 1.7191229134042811
Energy: 1.7460554278382276
Energy: 1.1605752634997848
Energy: 1.7470870876222138
Energy: 1.6588019612588334
Energy: 2.158085913538624
Energy: 1.718294185888412
Energy: 1.1565739198724043
Energy: 1.1632870444646113
Energy: 1.1558882910924875
Energy: 2.1567589058542955
Energy: 1.1720810189304207
Energy: 1.1576344787413542
Energy: 1.1591464832335978
Energy: 1.1588375083135933
Energy: 1.1584774502331958
Energy: 1.2127700221017668
Energy: 1.6603176043934187
Energy: 1.157193897906079
Energy: 1.1577939462515643
Energy: 1.1617826940968095
Energy: 1.1567256843821287
Energy: 1.7232698250727625
Energy: 1.660040733895084
Energy: 1.7169615354109404
Energy: 1.1559814691190018
Energy: 1.1688212691338478
Energy: 1.7430566195386645
Energy: 1.7195546569735263
Energy: 1.1703195813592708
Energy: 1.6554446789374309
Energy: 1.155835937030899
Energy: 1.158123170266084
Energy: 1.1584250504571716
Energy: 1.6592885682513183
Energy: 1.1634696687238752
Energy: 1.6552492151043878
Energy: 1.1559197575891698
Energy: 1.1583233323650677
Energy: 1.208619021357039
Energy: 1.6563847357064123
Energy: 1.667650880899067
Energy: 1.7179047394831
Energy: 1.2145614341782134
Energy: 1.1677031263982427
Energy: 1.7157998608617546
Energy: 1.7194391433959069
Energy: 1.6575530057153083
Energy: 1.211909484237003
Energy: 1.7262741461600282
Energy: 1.6590878492503558
Energy: 1.209787284377734
Energy: 1.7222538791491095
Energy: 1.1661541450396398
Energy: 1.714251969820791
Energy: 1.7202723773841422
Energy: 1.6637639207857489
Energy: 1.7170431738316312
Energy: 1.2056735574794204
Energy: 1.6550105223253662
Energy: 1.7173058877607916
Energy: 1.1584226415137004
Energy: 1.1647396847346967
Energy: 1.6565083930020439
Energy: 1.6601420778116607
Energy: 1.6546458658149206
Energy: 1.7170777553014034
Energy: 1.656984268195211
Energy: 1.6591638674967677
Energy: 1.6560190985765422
Energy: 1.7170429105075606
Energy: 1.1666647406483297
Energy: 1.1558541193233687
Energy: 2.261772461668167
Energy: 2.1465378211933874
Energy: 1.7166300911311358
Energy: 1.1569732570429292
Energy: 1.160004797258032
Energy: 1.1573586465731658
Energy: 1.7439538982150795
Energy: 1.6602819901529786
Energy: 1.156742088772764
Energy: 1.1582787182536587
Energy: 1.1584838565907059
Energy: 1.1586164193602297
Energy: 1.1569079297653155
Energy: 1.1614504613233776
Energy: 1.1571251332622285
Energy: 1.1592538456682824
Energy: 1.163370615931618
Energy: 1.1556536620694369
Energy: 1.7217993220489851
Energy: 1.6658639711487986
Energy: 1.7456552301653063
Energy: 1.1566055763568994
Energy: 1.156921470857547
Energy: 1.7471516432792784
Energy: 1.7259932557545512
Energy: 1.6600372864292237
Energy: 1.7169677908932202
Energy: 1.7546316634026322

minimum gb energy = 1.1556536620694369 eV
minimum distance =  2.31722078363002 Angstroms
sigma value = 33


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

Energy: 1.8240068552998063
Energy: 0.9340489322967689
Energy: 0.9260768386411883
Energy: 0.9263444681085226
Energy: 0.9257112871220561
Energy: 1.6536994440608674
Energy: 0.9281070962109693
Energy: 1.7011241076300265
Energy: 1.650023799810024
Energy: 1.2451932536430343
Energy: 1.3399404471468697
Energy: 1.3462962077682072
Energy: 1.241815994352654
Energy: 0.9176245319630973
Energy: 1.3387883896179258
Energy: 1.5447433332362253
Energy: 1.3431820691533876
Energy: 1.2360595617465397
Energy: 1.2401108099618545
Energy: 1.2939829729197823
Energy: 1.295094890999319
Energy: 1.244695162660861
Energy: 0.918581892155424
Energy: 1.2953101502663444
Energy: 1.2448987911219194
Energy: 1.2372065531091552
Energy: 0.9901437799042467
Energy: 0.9264641827993485
Energy: 1.2392484501954362
Energy: 1.2349907555346713
Energy: 0.9294568087385986
Energy: 0.9154734091376971
Energy: 1.2956421796252564
Energy: 1.2380605856847993
Energy: 1.6529983942153683
Energy: 0.9205811815698004
Energy: 0.9228984977893638
Energy: 1.2386805412366768
Energy: 1.233185475495337
Energy: 0.9252142509434221
Energy: 0.918782338523499
Energy: 1.540199961885999
Energy: 0.9249922910265025
Energy: 0.9911944493025912
Energy: 1.2339168255505277
Energy: 1.2432959489528432
Energy: 1.232563557018483
Energy: 1.5419636576767932
Energy: 1.2406680520432891
Energy: 1.2930238032724137
Energy: 1.2398281539168803
Energy: 1.2429292825784102
Energy: 1.2394256202691898
Energy: 1.2935644675532523
Energy: 1.245872623754742
Energy: 1.3420500958859405
Energy: 1.2345051445968236
Energy: 1.243592008732534
Energy: 0.919761298343276
Energy: 1.3011516782316013
Energy: 1.2456260533147396
Energy: 1.3384994620859558
Energy: 0.9193090951102364
Energy: 1.2428863087224669
Energy: 1.3448852620390257
Energy: 2.028057849210398
Energy: 1.2434286649722146
Energy: 1.2401230126772873
Energy: 0.9204888905394248
Energy: 1.2364094064053073
Energy: 0.9205245470758107
Energy: 1.2432078363781673
Energy: 0.9341567504239521
Energy: 1.2400766926993432
Energy: 0.9202930040769085
Energy: 1.2370196013336794
Energy: 0.9208850571345072
Energy: 0.9331878152942089
Energy: 0.9258617502421571
Energy: 1.3390321748531586
Energy: 0.9165468457858293
Energy: 0.9262717791186258
Energy: 0.9937673657907652
Energy: 1.2342973379425648
Energy: 0.9237733991627455
Energy: 0.9144364624496985
Energy: 0.9164404005781542
Energy: 0.9374744437652871
Energy: 0.9153583313473972
Energy: 0.9809714945652788
Energy: 0.934948911732002
Energy: 0.9146218411218529
Energy: 0.9178046691645644
Energy: 0.9339329697859261
Energy: 0.9167415727350662
Energy: 0.9837674825831525
Energy: 1.2375057978578166
Energy: 0.917371878801169
Energy: 0.9163307685326232
Energy: 0.9266364224300532
Energy: 0.9136026553590554
Energy: 1.2972348621654357
Energy: 0.9356341728044545
Energy: 1.3389901935478075
Energy: 1.2387563898893403
Energy: 0.9258450193786233
Energy: 1.2924675151639304
Energy: 1.2443012801453528
Energy: 0.9376481989305775
Energy: 0.9366492005280437
Energy: 0.9156600936041243
Energy: 1.5409854479221115
Energy: 1.2398846707455615
Energy: 0.9364707962443817
Energy: 1.2452499289639818
Energy: 1.298578032305254
Energy: 0.9191974444604866
Energy: 0.9240119768300652
Energy: 1.3503378427993873
Energy: 1.244690800364859
Energy: 1.5425378182932228
Energy: 1.3396482944802175
Energy: 1.229979749078359
Energy: 1.2411304771928509
Energy: 0.9873762063441349
Energy: 1.3373447211268066
Energy: 1.2446109406595574
Energy: 0.9934982730702854
Energy: 1.2929948089466174
Energy: 1.2412611976283976
Energy: 1.2400668729014686
Energy: 1.2457635259301711
Energy: 0.9287560962333247
Energy: 0.9191263455090719
Energy: 1.23634822403724
Energy: 1.2430300039649105
Energy: 1.2393233201225609
Energy: 0.9822030461868348
Energy: 1.2997641449487207
Energy: 0.9134119150102645
Energy: 0.9174918623715195
Energy: 0.9264804524931393
Energy: 0.91459180741646
Energy: 1.2863549614270353
Energy: 0.9256281808599168
Energy: 1.240582337243283
Energy: 1.2346000529997956
Energy: 0.924984076535258
Energy: 1.2399944428873366
Energy: 1.2342586648992357
Energy: 1.243567166638103
Energy: 1.2325765612602955
Energy: 1.2352817491327657
Energy: 0.92008643477659
Energy: 0.9187452645150987
Energy: 1.2353053363141642
Energy: 1.242553879310598
Energy: 1.241721516243777
Energy: 1.292913661674981
Energy: 1.239340085897067
Energy: 1.2391128623880943
Energy: 1.2357365882505766
Energy: 1.2437606421001115
Energy: 1.2370982628476208
Energy: 1.2954972596363246
Energy: 1.245401070398064
Energy: 0.9898138557523359
Energy: 1.2330941276564522
Energy: 1.2428077311302772
Energy: 0.9862903814908848
Energy: 1.295572440494003
Energy: 1.245889016058909
Energy: 1.3392534201556394
Energy: 1.2357515183698404
Energy: 0.9134218150825645
Energy: 0.9193629677126804
Energy: 1.242953407246944
Energy: 1.244566152539033
Energy: 1.2342269536514614
Energy: 1.2262874524234044
Energy: 0.9237789292721054
Energy: 0.9215003569769862
Energy: 1.2408443241691902
Energy: 0.9341739912250573
Energy: 1.2399934540442528
Energy: 1.228876093121152
Energy: 0.9262915250719916
Energy: 1.3443162980561636
Energy: 1.3379168480071508
Energy: 0.9237582060439979
Energy: 1.3433533841422274
Energy: 0.919505571848868
Energy: 0.934569296153163
Energy: 0.9153953468818713
Energy: 0.9892939965216042
Energy: 0.9259745856696262
Energy: 0.9138253192966527
Energy: 0.9174457621827278
Energy: 0.9329091652544141
Energy: 0.9169494468528856
Energy: 0.914450547414471
Energy: 0.934520752995017
Energy: 0.9152927069426295
Energy: 0.9183584424985596
Energy: 0.9352797584571426
Energy: 0.9148259439048912
Energy: 0.9905833255964884
Energy: 1.2457992630982042
Energy: 0.9143118433263381
Energy: 0.9176880166061552
Energy: 0.9258909766865858
Energy: 1.2388720840528797
Energy: 1.295982797570608
Energy: 1.2457336350830475
Energy: 1.7011671700189144
Energy: 0.9201886368484605
Energy: 0.9277289527826862
Energy: 0.9205510584973744
Energy: 0.9369606610233953
Energy: 0.9318367093673521
Energy: 1.240823545038504
Energy: 1.5383690627981692

minimum gb energy = 0.9134119150102645 eV
minimum distance =  2.29083875321906 Angstroms
sigma value = 41


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

Energy: 2.5435669460073496
Energy: 1.0400903539959814
Energy: 1.04280630322163
Energy: 1.0893849872304817
Energy: 1.0463045953424888
Energy: 0.3756104453457534
Energy: 1.0882045983881279
Energy: 0.5059351482716593
Energy: 0.49852279416578804
Energy: 1.0787988633454832
Energy: 0.5058698176480189
Energy: 1.0424601279039483
Energy: 1.0709321666899625
Energy: 0.5009144174590641
Energy: 0.49703270469952765
Energy: 0.387390263083494
Energy: 0.5009628465980623
Energy: 1.040685780023031
Energy: 1.0672536190247193
Energy: 0.5020910846254178
Energy: 0.500621744125784
Energy: 1.0739173339107495
Energy: 0.5101199991671156
Energy: 0.46669543936757185
Energy: 1.08438063886877
Energy: 1.0436133132921543
Energy: 0.5015062405004892
Energy: 1.0645607311612848
Energy: 0.49693409548216194
Energy: 1.0420512384371665
Energy: 1.0694827660495065
Energy: 1.0451629827845306
Energy: 0.4995622644664064
Energy: 0.9581793881443053
Energy: 1.0438116879380452
Energy: 1.045588513964262
Energy: 1.6321109445786834
Energy: 0.5069282171832943
Energy: 1.0477806946058574
Energy: 1.0978683916513854
Energy: 0.4949060437779679
Energy: 1.5981538376599251
Energy: 1.6558346281135303
Energy: 0.4993860126641049
Energy: 1.0392250660466111
Energy: 1.0743353992796831
Energy: 1.0401483539502472
Energy: 1.046615540740014
Energy: 1.0806184564330121
Energy: 0.502100788251334
Energy: 0.4894221932599848
Energy: 0.3871209003279145
Energy: 0.5077616359488025
Energy: 1.0429294483842748
Energy: 1.0715743746687243
Energy: 0.5089412628292668
Energy: 0.4919957661881317
Energy: 1.069265728560934
Energy: 0.49950726644930016
Energy: 1.0672314372808893
Energy: 1.0713256148573913
Energy: 0.5002196009858436
Energy: 0.495957603671402
Energy: 1.0972486527340017
Energy: 0.5008213952846203
Energy: 1.0479309275721809
Energy: 1.0738332337717484
Energy: 1.0419523603818992
Energy: 0.502920749577479
Energy: 0.9644066453132938
Energy: 0.5059401739652882
Energy: 1.0637083237224185
Energy: 1.0930419690543454
Energy: 1.04282234177321
Energy: 0.5016715666472205
Energy: 1.0791629116034391
Energy: 0.4922892510809552
Energy: 1.0588219722958154
Energy: 1.6459473921060277
Energy: 0.5014267564400384
Energy: 1.0359341824798705
Energy: 1.0978851700801096
Energy: 1.03043050145157
Energy: 1.0585240610965299

minimum gb energy = 0.3756104453457534 eV
minimum distance =  2.40058232196211 Angstroms
sigma value = 11


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

Energy: 1.2576327393129823
Energy: 1.2869892637432856
Energy: 1.28608617902118
Energy: 1.4527845992659727
Energy: 1.2866373659733297
Energy: 1.2617394264963453
Energy: 1.283736797708758
Energy: 1.283970457517191
Energy: 1.2762406960278325
Energy: 1.2760481207181185
Energy: 1.3287609267162979
Energy: 1.2834521208597505
Energy: 1.2863427962329217
Energy: 1.277314308688692
Energy: 1.335828557803987
Energy: 1.2713483423884775
Energy: 1.2819094224121115
Energy: 1.280649998222382
Energy: 1.2800192704708526
Energy: 1.2837893876538113
Energy: 1.2761609991394862
Energy: 1.2804834855697935
Energy: 1.2819323580787128
Energy: 1.2852482044324716
Energy: 1.280655290568803
Energy: 1.284717153239598
Energy: 1.3312075368875838
Energy: 1.275883090994908
Energy: 1.2832797739362307
Energy: 1.2853412460123468
Energy: 1.2840601901139916
Energy: 1.28055388971727
Energy: 1.3317959292807882
Energy: 1.2764636105390461
Energy: 1.3316047551084758
Energy: 1.2817905361532138
Energy: 1.2719448803990836
Energy: 1.2845150455356498
Energy: 1.2753214186557182
Energy: 1.2801903372723604
Energy: 1.2748490771106769
Energy: 1.2645288719962031
Energy: 1.2734657801907436
Energy: 1.3317640541463067
Energy: 1.2802834502977571
Energy: 1.2859903707195524
Energy: 1.2792650420133282
Energy: 1.2655603330275975
Energy: 1.2868245340366768
Energy: 1.2799646239210236
Energy: 1.27836710182747
Energy: 1.2672417111386525
Energy: 1.2824539990376485
Energy: 1.2807242408606176
Energy: 1.283151909033956
Energy: 1.283918852953301
Energy: 1.328993234544528
Energy: 1.2674020472186007
Energy: 1.2833114697958998
Energy: 1.2845329744258638
Energy: 1.2816040639904969
Energy: 1.2850417301449741
Energy: 1.2823286292235558
Energy: 1.288584305770368
Energy: 1.3352938965622811
Energy: 1.284044916570574
Energy: 1.281906434739887
Energy: 1.3302451051391586
Energy: 1.2850626701370498
Energy: 1.2819402362297077
Energy: 1.3303133897309007
Energy: 1.2840339169558057
Energy: 1.2805074004669266
Energy: 1.283867097139179
Energy: 1.2829133221120257
Energy: 1.2821407485710514
Energy: 1.2843464256339892
Energy: 1.2801034036818102
Energy: 1.2648588272981278
Energy: 1.2824162904990253
Energy: 1.2784612876394552
Energy: 1.2847271999211187
Energy: 1.2779545354384731
Energy: 1.3269828019625745
Energy: 1.2831211520365393
Energy: 1.3284242966343673
Energy: 1.284249997789095
Energy: 1.2832145282289258
Energy: 1.2842184043908673
Energy: 1.276563351099624
Energy: 1.2833516104013287
Energy: 1.2821258863126619
Energy: 1.2689310295577325
Energy: 1.2563954538706394
Energy: 1.2803877980541967
Energy: 1.282727198156976
Energy: 1.2757895536184634
Energy: 1.2767480979058345
Energy: 1.284989249502719
Energy: 1.2662855395047241
Energy: 1.2838197244499348
Energy: 1.2760301469053716
Energy: 1.2694785502313493
Energy: 1.3335201858066723
Energy: 1.2822303275203737
Energy: 1.2841223415414487
Energy: 1.2820686541641113
Energy: 1.270038368819178
Energy: 1.2801448844438255
Energy: 1.2828489749574503
Energy: 1.2831152140617643
Energy: 1.2819853818969142
Energy: 1.2827379047572485
Energy: 1.2759105522612697
Energy: 1.2761762833923258
Energy: 1.2837901148231652
Energy: 1.2856118863205293
Energy: 1.2821581432241262
Energy: 1.2849638397694865
Energy: 1.2769248404677116
Energy: 1.2768844627154037
Energy: 1.27910311081274
Energy: 1.281598236521198
Energy: 1.2836735388906728
Energy: 1.280682184196643
Energy: 1.2771983833623168
Energy: 1.2796604764729194
Energy: 1.2752810998698187
Energy: 1.2847877691567544
Energy: 1.2709835729754118
Energy: 1.2842588648760125
Energy: 1.2756907614657245
Energy: 1.2844188683551254
Energy: 1.280474506548996
Energy: 1.2647907708106176
Energy: 1.263100048869536
Energy: 1.2755177644832278
Energy: 1.28136942825168
Energy: 1.2672942626530928
Energy: 1.283364619747165
Energy: 1.2800559402608582
Energy: 1.287390861258047
Energy: 1.284082441345108
Energy: 1.267233638899696
Energy: 1.2675334277450756
Energy: 1.2832216410183257
Energy: 1.2835092865793234
Energy: 1.2835325402439806
Energy: 1.2838580709981522
Energy: 1.3210859446606735
Energy: 1.2883944764542878
Energy: 1.3360664802655169
Energy: 1.2852930817671595
Energy: 1.28187768398468
Energy: 1.2846990187881475
Energy: 1.282895802842795
Energy: 1.2818910356511952
Energy: 1.3310012241073859
Energy: 1.282848692323715
Energy: 1.2819665983183144
Energy: 1.3307222566458758
Energy: 1.2831268485548364
Energy: 1.2818359689416254
Energy: 1.2851204000324616
Energy: 1.2822730254606889
Energy: 1.2814357382373993
Energy: 1.2813296150255524
Energy: 1.2833724131229338
Energy: 1.2848196486649297
Energy: 1.280603759392617
Energy: 1.2825903187937457
Energy: 1.263879969387949
Energy: 1.287261082591516
Energy: 1.280792064630024
Energy: 1.2843784642378058
Energy: 1.2840977299111604
Energy: 1.2782928412673578
Energy: 1.2838516605769743
Energy: 1.2835404903145513
Energy: 1.2798537072048621
Energy: 1.2557777999743243
Energy: 1.2803384982339965
Energy: 1.2814477082287627
Energy: 1.284451444614502
Energy: 1.2805428061426172
Energy: 1.2700836920456637

minimum gb energy = 1.2557777999743243 eV
minimum distance =  2.27933348681377 Angstroms
sigma value = 57


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

Energy: 2.9400554079222614
Energy: 1.6454323277846719
Energy: 1.6467349154947195
Energy: 1.6449558682602248
Energy: 1.6468457906930418
Energy: 1.6100919923199029
Energy: 1.5793520048961847
Energy: 1.6052636998334755
Energy: 1.580062423797595
Energy: 1.5770654543452547
Energy: 1.6035954280507683
Energy: 1.5793099204680123
Energy: 1.5775848805438664
Energy: 1.5790328225277017
Energy: 1.603043755850851
Energy: 1.5579460311766773
Energy: 1.603178162191009
Energy: 1.579305610324692
Energy: 1.5781307625661027
Energy: 1.57954016409336
Energy: 1.6052710185787318
Energy: 1.5796481824143835
Energy: 1.5798739833627118
Energy: 1.5797153826915173
Energy: 1.579172369994022
Energy: 1.5795335294795658
Energy: 1.6063582815089608
Energy: 1.5767188300072097
Energy: 1.602121718719394
Energy: 1.580026228104669
Energy: 1.5942546700219393
Energy: 1.5833047120905215
Energy: 1.6041993252615088
Energy: 1.5760100834478656
Energy: 1.6034276835633918
Energy: 1.5800557087551208
Energy: 1.5691759523976172
Energy: 1.6044471248009313
Energy: 1.5785760262815498
Energy: 1.5772946156306076
Energy: 1.5784816789668061
Energy: 1.6019534795483057
Energy: 1.5815318960529492
Energy: 1.6035378296334024
Energy: 1.5790868559508027
Energy: 1.5768822662696909
Energy: 1.5790084237997963
Energy: 1.6032101632460973
Energy: 1.5775683886240035
Energy: 1.581770885381663
Energy: 1.5582103211545464
Energy: 1.5565427408235817
Energy: 1.6034573254953897
Energy: 1.5787083002243976
Energy: 1.577065739058355
Energy: 1.5783542577014031
Energy: 1.5583611276856562
Energy: 1.5569862494770732
Energy: 1.6031261114778848
Energy: 1.5863423809400818
Energy: 1.5581067159159676
Energy: 1.6039553426663258
Energy: 1.5777083061744461
Energy: 1.577646468885642
Energy: 1.6035448097979645
Energy: 1.6033278944817282
Energy: 1.557541114273383
Energy: 1.6046869950524092
Energy: 1.5797308014973046
Energy: 1.5793516074524725
Energy: 1.5790208626325792
Energy: 1.6027372044156047
Energy: 1.578169840672259
Energy: 1.6039890273862156
Energy: 1.5800893399897717
Energy: 1.5786158346471553
Energy: 1.5794443358894548
Energy: 1.5782965576287218
Energy: 1.59336367667436
Energy: 1.6029370843170705
Energy: 1.5792947018462087
Energy: 1.5782582730362
Energy: 1.5782792711347424
Energy: 1.603950568354502
Energy: 1.5769226171758506
Energy: 1.5787908559341817
Energy: 1.603410667569243
Energy: 1.5789551170948468
Energy: 1.6045062339317533
Energy: 1.5788936235122917
Energy: 1.6450488593561614
Energy: 1.5778931998998365
Energy: 1.576953936750573
Energy: 1.566713450632039
Energy: 1.578705500995392
Energy: 1.6483662508153967
Energy: 1.5569774132089593
Energy: 1.5800298605884726
Energy: 1.5795574040978577
Energy: 1.5799213849099176
Energy: 1.6040003396261142
Energy: 1.5791472544840512

minimum gb energy = 1.5565427408235817 eV
minimum distance =  2.27798211923568 Angstroms
sigma value = 9


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

Energy: 3.0736963646347597
Energy: 1.5127726737532652
Energy: 1.5133511642334454
Energy: 1.512891232447449
Energy: 1.5138559717203666
Energy: 1.4173004903757813
Energy: 1.5110045883356156
Energy: 1.453577799689402
Energy: 1.5356725983139603
Energy: 1.5331902783085716
Energy: 1.4515996545625374
Energy: 1.5235656911630848
Energy: 1.5159572650049078
Energy: 1.515873954194673
Energy: 1.4155256933622942
Energy: 1.414870414323892
Energy: 1.4593076214880067
Energy: 1.5207528788608162
Energy: 1.5147318779105647
Energy: 1.515641275335732
Energy: 1.4585820175565811
Energy: 1.5210868079929263
Energy: 1.4534947571350225
Energy: 1.5210302285990245
Energy: 1.5150494074347505
Energy: 1.5136910490436644
Energy: 1.516072255810348
Energy: 1.5150173101256668
Energy: 1.5150064815259088
Energy: 1.5172828368963074
Energy: 1.5212043812092864
Energy: 1.5233390591723737
Energy: 1.517661119313898
Energy: 1.5156865532689225
Energy: 1.5155730034183146
Energy: 1.5271741058839805
Energy: 1.5318008814292745
Energy: 1.4527826665109476
Energy: 1.5181252808314092
Energy: 1.5157781933597148
Energy: 1.5157716917766697
Energy: 1.4568091910185819
Energy: 1.531791640568884
Energy: 1.4536954577568035
Energy: 1.5161153494074484
Energy: 1.5120085800272485
Energy: 1.4560792824816415
Energy: 1.4566747143645544
Energy: 1.5121314592993471
Energy: 1.5243184413216084
Energy: 1.4546853371764075
Energy: 1.5225544665536466
Energy: 1.5227778909064704
Energy: 1.523467522281733
Energy: 1.5063712476260507
Energy: 1.52458174693833
Energy: 1.4560352020305203
Energy: 1.5224972539308126
Energy: 1.4535702569384275
Energy: 1.5167684483918529
Energy: 1.5929295115494893
Energy: 1.4536121409052734
Energy: 1.5150297172801326
Energy: 1.5063495936486186
Energy: 1.5138488575406672
Energy: 1.4106595893337472
Energy: 1.593064921117477
Energy: 1.4539481233015858
Energy: 1.5248120442577664
Energy: 1.522350061711254
Energy: 1.5233254425044347
Energy: 1.5608443359479607
Energy: 1.512493127979472
Energy: 1.5151775444256033
Energy: 1.4555305574474129
Energy: 1.4156260261718028
Energy: 1.4540143094787445
Energy: 1.5181260115186983
Energy: 1.5148808388401576
Energy: 1.5223126345669709
Energy: 1.4545523198110062
Energy: 1.4120265808137311
Energy: 1.4590595670976612
Energy: 1.5175441700631207
Energy: 1.5152280659680668
Energy: 1.5171165855528643
Energy: 1.5211492267794726
Energy: 1.5216154401167996
Energy: 1.4548140769732156
Energy: 1.5169570547668265
Energy: 1.5138513079390972
Energy: 1.5154766072357495
Energy: 1.5190854359868418
Energy: 1.5331895859864761
Energy: 1.5149871847876144
Energy: 1.5207656507888918
Energy: 1.5305786770106926
Energy: 1.4544753495337346
Energy: 1.5187340358907166
Energy: 1.515457127121486
Energy: 1.5159656032745954
Energy: 1.5208681288004808
Energy: 0.684111729416339
Energy: 1.4567086938556526
Energy: 1.518281514090168
Energy: 1.515734611692768
Energy: 1.5158717206099006
Energy: 1.4581313818514217
Energy: 1.5203466736608708
Energy: 1.536194869057465
Energy: 1.4550798777910166
Energy: 1.5128662841214497
Energy: 1.451616683375771
Energy: 1.535819058836812
Energy: 1.5144695138099307
Energy: 1.509138233966269
Energy: 1.5212082384663226
Energy: 1.523213954045843
Energy: 1.516187157927437
Energy: 1.5142909136482705
Energy: 1.5935200551799182
Energy: 1.451995007353047
Energy: 1.5251601284075673
Energy: 1.5121901419657329
Energy: 1.4544032029123373
Energy: 1.5343074620053185

minimum gb energy = 0.684111729416339 eV
minimum distance =  2.28567415555672 Angstroms
sigma value = 27


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

Energy: 1.5822318393027048
Energy: 1.505990406320801
Energy: 1.5061123126078684
Energy: 1.5412732414427577
Energy: 1.506253007222662
Energy: 1.5507124699220258
Energy: 1.5387512115730984
Energy: 1.505697446883803
Energy: 1.5470428876480598
Energy: 1.5387364373206123
Energy: 1.502841914137066
Energy: 1.515024467996691
Energy: 1.5083347966366596
Energy: 1.5048265417798286
Energy: 1.5248675151877724
Energy: 1.5655670062960174
Energy: 1.504716095364331
Energy: 1.5047138665137902
Energy: 1.50623023609719
Energy: 1.505608618616309
Energy: 1.5043323382715155
Energy: 1.5429417285488574
Energy: 1.5376091578277713
Energy: 1.5057573801366424
Energy: 1.5237284489305714
Energy: 1.511563749211451
Energy: 1.5321832423451842
Energy: 1.5310207068119401
Energy: 1.6527958587331668
Energy: 1.5126231747738894
Energy: 1.504984029169923
Energy: 1.5066264924575665
Energy: 1.5321072725361486
Energy: 1.530532641183847
Energy: 1.5320673182466393
Energy: 1.5072982626440177
Energy: 1.5129482418518925
Energy: 1.5391505741574039
Energy: 1.68396253074617
Energy: 1.5435469907086592
Energy: 1.6829483245693428
Energy: 1.5113903905599768
Energy: 1.5143575403676195
Energy: 1.5411366195379508
Energy: 1.530368019300132
Energy: 1.5305764991397643
Energy: 1.5037667590435282
Energy: 1.5112041183539844
Energy: 1.509001780328293
Energy: 1.5057982480952843
Energy: 1.505389714534609
Energy: 1.500744759024309
Energy: 1.5067783749559052
Energy: 1.5056085439093736
Energy: 1.5119632957161644
Energy: 1.509588393138509
Energy: 1.7073976568459566
Energy: 1.5010342376034647
Energy: 1.5059897454114557
Energy: 1.512363754757584
Energy: 1.5251734886695991
Energy: 1.5589289903115269
Energy: 1.5321301521739579
Energy: 1.5402139576517846
Energy: 1.5298603911189084
Energy: 1.5252934022672633
Energy: 1.5250298689203436
Energy: 1.5770000688145793
Energy: 1.5372999490507804
Energy: 1.5969834400244869
Energy: 1.5610720088099135
Energy: 1.535454032488616
Energy: 1.51177022120289
Energy: 1.5054488118044136
Energy: 1.53350205137828
Energy: 1.5333223826828377
Energy: 1.53576790052187
Energy: 1.5132433376351657
Energy: 1.5083480447839024
Energy: 1.5323890004223772
Energy: 1.574330577571113
Energy: 1.5338482466914143
Energy: 1.5329982194779457
Energy: 1.5075499087968127
Energy: 1.5246801117472306
Energy: 1.5591336939246063
Energy: 1.5389683590204009
Energy: 1.5335148189967915
Energy: 1.5339629038107607
Energy: 1.5250647438701588
Energy: 1.524302847093216
Energy: 1.5763397035230968
Energy: 1.5014873761640155
Energy: 1.501325595992737
Energy: 1.5023488308535902
Energy: 1.5355340495855287
Energy: 1.5138016082070296
Energy: 1.5105017471878759
Energy: 1.541658410051928
Energy: 1.5242531498515115
Energy: 1.6647310603745769
Energy: 1.5109145786995002
Energy: 1.541567663503384
Energy: 1.6621056534283325
Energy: 1.5360833242447804
Energy: 1.5017292612477333
Energy: 1.5488935846019396
Energy: 1.6598802040170582
Energy: 1.51258904015376
Energy: 1.5064362346847935
Energy: 1.5041510630296266
Energy: 1.502060320905786
Energy: 1.5069933157743993
Energy: 1.5082277865613913
Energy: 1.5121636106245155
Energy: 1.506899295235626
Energy: 1.7037812664572758
Energy: 1.5014344142874332
Energy: 1.7049605537912944
Energy: 1.5117773816870204
Energy: 1.5037460243620588
Energy: 1.5432138744107327
Energy: 1.5034114709123223
Energy: 1.5030452060015878
Energy: 1.5024732930874771
Energy: 1.508881554785421
Energy: 1.5246355844872854
Energy: 1.542757429367157
Energy: 1.5036037781348255
Energy: 1.5009033121115563
Energy: 1.5022381540869814
Energy: 1.5416794305510113
Energy: 1.5062076307298589
Energy: 1.511813173803369
Energy: 1.5433105950586135
Energy: 1.525303110873289
Energy: 1.5055861167364033
Energy: 1.5132197229738158
Energy: 1.5389237908946012
Energy: 1.5098803690419074
Energy: 1.5260524318787336
Energy: 1.5251271220601488
Energy: 1.5112536538030517
Energy: 1.5383986297591283
Energy: 1.5245448233022127
Energy: 1.5413947065511544
Energy: 1.54296520000449
Energy: 1.5415951644164252
Energy: 1.5428147786867024
Energy: 1.5246231939999688

minimum gb energy = 1.500744759024309 eV
minimum distance =  2.30621446667632 Angstroms
sigma value = 19


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

Energy: 1.4683173557345706
Energy: 1.434025372669212
Energy: 1.4234833355847802
Energy: 1.432365047312017
Energy: 1.4234532654518817
Energy: 1.425119006753851
Energy: 1.4294891775896024
Energy: 1.4229815215970276
Energy: 1.4377142497119793
Energy: 1.4228507913177235
Energy: 1.4233013176775084
Energy: 1.438143712709294
Energy: 1.422496938841614
Energy: 1.423912064370322
Energy: 1.4088312436998078
Energy: 1.408480959425352
Energy: 1.4232027845281627
Energy: 1.423355897906541
Energy: 1.4231062574624205
Energy: 1.4239397298131877
Energy: 1.4229280103231852
Energy: 1.4360774816993966
Energy: 1.4236351742410436
Energy: 1.423747839671591
Energy: 1.4182406180301872
Energy: 1.4223893469028122
Energy: 1.4240341155350593
Energy: 1.4233171025458924
Energy: 1.4233179277727595
Energy: 1.4239781071090052
Energy: 1.4229546903385044
Energy: 1.4227032923308875
Energy: 1.4243785025732778
Energy: 1.4216368085837787
Energy: 1.4232331959173374
Energy: 1.4227106739984372
Energy: 1.4382048024362821
Energy: 1.585794388939499
Energy: 1.4694698845206084
Energy: 1.5860335992652523
Energy: 1.4689570954196671
Energy: 1.5871364205051788
Energy: 1.4356692841087182
Energy: 1.5865094583344996
Energy: 1.424090161466231
Energy: 1.4243756181966538
Energy: 1.5861855815550763
Energy: 1.4368795286037161
Energy: 1.4170739731636184
Energy: 1.4238862855046455
Energy: 1.4234617610757627
Energy: 1.4345481725331328
Energy: 1.423340175187777
Energy: 1.4180831331179515
Energy: 1.4393070747878194
Energy: 1.4244725842413735
Energy: 1.423606191931869
Energy: 1.4226935557042655
Energy: 1.4239670880866635
Energy: 1.4368278678156496
Energy: 1.4100692479237584
Energy: 1.4231743572451063
Energy: 1.4229366812248065
Energy: 1.4236594998642822
Energy: 1.4234833570658976
Energy: 1.423760564618328
Energy: 1.423894483446361
Energy: 1.4238061907660022
Energy: 1.4233400324228709
Energy: 1.4367804090770975
Energy: 1.4233847057531737
Energy: 1.438789632560445
Energy: 1.4302117721071772
Energy: 1.4351058820087723
Energy: 1.4110875637831475
Energy: 1.411063377870275
Energy: 1.4228023548920548
Energy: 1.424456699625706
Energy: 1.423108797590258
Energy: 1.4233330195684135
Energy: 1.476726836545339
Energy: 1.410692647616229
Energy: 1.4233786778127275
Energy: 1.4286248736064973
Energy: 1.425512016866491
Energy: 1.4233483587024855
Energy: 1.4238221140551297
Energy: 1.4341849289534878
Energy: 1.4249545965888162
Energy: 1.4087264920022353
Energy: 1.416103088653693
Energy: 1.4790520168037535
Energy: 1.4251513595678016
Energy: 1.422987919143778
Energy: 1.423030332476216
Energy: 1.4244613608082528
Energy: 1.4321366964331717
Energy: 1.4228014684271746
Energy: 1.407937659469539
Energy: 1.4066739488316724
Energy: 1.423295756837982
Energy: 1.4219284948912148
Energy: 1.423539492620445
Energy: 1.4223980714499933
Energy: 1.4235471415850023
Energy: 1.4068867542196313
Energy: 1.4232344706089153
Energy: 1.4222876847102166
Energy: 1.4174802397531814
Energy: 1.424397656952465
Energy: 1.4237461017889614
Energy: 1.436221076533644
Energy: 1.4234470099932448
Energy: 1.422039549257391
Energy: 1.4230477888384718
Energy: 1.4241251131104977
Energy: 1.422780538635432
Energy: 1.423388534355273
Energy: 1.4240169746314935
Energy: 1.423906997650123
Energy: 1.43439179136809
Energy: 1.5870684526227594
Energy: 1.4704552020777413
Energy: 1.4377598377369514
Energy: 1.4664032339986388
Energy: 1.4357808219013903
Energy: 1.4384698615759504
Energy: 1.469955423020965
Energy: 1.4253668768495624
Energy: 1.4224735328757243
Energy: 1.5891293135937068
Energy: 1.5868993441895316
Energy: 1.4223148888816095
Energy: 1.4238607261093585
Energy: 1.4584144089607187
Energy: 1.422486011327869
Energy: 1.4231028298072756
Energy: 1.423592667042294
Energy: 1.4364219518862877
Energy: 1.424232620901185
Energy: 1.4225082684181751
Energy: 1.4357036382571366
Energy: 1.4231249299223168
Energy: 1.425339927564157
Energy: 1.423160221830124
Energy: 1.4236494478181023
Energy: 1.422583823975613
Energy: 1.42477284910376
Energy: 1.422739016457585
Energy: 1.4245460997829618
Energy: 1.410141931158585
Energy: 1.4236890728824785
Energy: 1.4334482134727884
Energy: 1.4347597058678818
Energy: 1.4238371929099936
Energy: 1.423559246502873
Energy: 1.4227945573961727
Energy: 1.4233302252685813
Energy: 1.4672931405130052
Energy: 1.4108991718692034
Energy: 1.4232780251519057
Energy: 1.4227715583193061
Energy: 1.4334959095842459
Energy: 1.423893901404656
Energy: 1.4103726397207965
Energy: 1.4110486461297396
Energy: 1.4225944811329925
Energy: 1.4295307627389089
Energy: 1.4259366469455934
Energy: 1.423169661084816
Energy: 1.434832492240573
Energy: 1.433162264971203
Energy: 1.4230472524775437
Energy: 1.4703307571083595

minimum gb energy = 1.4066739488316724 eV
minimum distance =  2.31438491486303 Angstroms
sigma value = 101


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

Energy: 1.4194387539290776
Energy: 1.3993127216571435
Energy: 1.4003642667824112
Energy: 1.3964953428140432
Energy: 1.3986106765955981
Energy: 1.389781627417128
Energy: 1.4038234219193402
Energy: 1.3942615988427813
Energy: 1.4016993073616832
Energy: 1.394369525991258
Energy: 1.3934810868988419
Energy: 1.3982885134152578
Energy: 1.402070061937879
Energy: 1.3944826622474287
Energy: 1.3892143999128528
Energy: 1.390814728369827
Energy: 1.3961289530419307
Energy: 1.3943867167177841
Energy: 1.3993372886495634
Energy: 1.3920562866244328
Energy: 1.3951347963846465
Energy: 1.3935752227660965
Energy: 1.3965473607067191
Energy: 1.3932672809687687
Energy: 1.3859342169437212
Energy: 1.411330124773907
Energy: 1.4098359763910557
Energy: 1.4118343788527554
Energy: 1.4100364254403746
Energy: 1.398751938834499
Energy: 1.3970024734678745
Energy: 1.3926774392439405
Energy: 1.413518537828135
Energy: 1.4098369670879636
Energy: 1.4111736333952398
Energy: 1.4041964327604761
Energy: 1.39646503521691
Energy: 1.5411962629847091
Energy: 1.542155659414509
Energy: 1.550654312470851
Energy: 1.54237474173331
Energy: 1.396438119122221
Energy: 1.399214190421809
Energy: 1.393062902903683
Energy: 1.4113987824895347
Energy: 1.4103987064653702
Energy: 1.4110200937458117
Energy: 1.3929457554861655
Energy: 1.3965371673676374
Energy: 1.5409258876133773
Energy: 1.5416311002048049
Energy: 1.3943569993961895
Energy: 1.5426822897356152
Energy: 1.5395105299292258
Energy: 1.3965050288295497
Energy: 1.393013878740255
Energy: 1.410786129682329
Energy: 1.3963962672645256
Energy: 1.541403507085774
Energy: 1.3933394043786482
Energy: 1.399712565301174
Energy: 1.411938488523681
Energy: 1.3959746236140638
Energy: 1.4104359372354556
Energy: 1.4113218686579059
Energy: 1.411219709959432
Energy: 1.4070030321936715
Energy: 1.3940534677358265
Energy: 1.4109362417642357
Energy: 1.394178929447912
Energy: 1.3970412357265358
Energy: 1.3947683645395486
Energy: 1.3987245162320818
Energy: 1.3952537409696122
Energy: 1.3952930357724707
Energy: 1.3973538779506978
Energy: 1.3946830382150386
Energy: 1.393553995279155
Energy: 1.3992969598450282
Energy: 1.395034688459613
Energy: 1.3899484083385227
Energy: 1.3912400645523921
Energy: 1.3941130291199102
Energy: 1.413720170623788
Energy: 1.384256966672614
Energy: 1.411498281659685
Energy: 1.3960083993665167
Energy: 1.3952797436680502
Energy: 1.4102788922118605
Energy: 1.3911810257692747
Energy: 1.3902218690257213
Energy: 1.4385736569639844
Energy: 1.3956577569648931
Energy: 1.403173789265469
Energy: 1.4006389709196116
Energy: 1.400102543995498
Energy: 1.39853511459753
Energy: 1.3974565352935995
Energy: 1.3919897615238241
Energy: 1.4067130835096546
Energy: 1.3934602223937382
Energy: 1.3982185600769281
Energy: 1.3991749577412544
Energy: 1.4101207040960468
Energy: 1.3926619212145535
Energy: 1.4110625136629504
Energy: 1.3951127982187095
Energy: 1.398014144692316
Energy: 1.4081010156799287
Energy: 1.3958210476352408
Energy: 1.3950223636455843
Energy: 1.4086954472976254
Energy: 1.3959425329580306
Energy: 1.3928141178926294
Energy: 1.3929337009011653
Energy: 1.4361274979090541
Energy: 1.3929038064723165
Energy: 1.3977721652748167
Energy: 1.3925469167977418
Energy: 1.392053970292126
Energy: 1.4096357732205174
Energy: 1.411814689153459
Energy: 1.4110838807174313
Energy: 1.3908466804965303
Energy: 1.411172576633131
Energy: 1.415946974341495
Energy: 1.4112376158966609
Energy: 1.4106870286789133
Energy: 1.3927644548091436
Energy: 1.400572754602355
Energy: 1.3950501070262027
Energy: 1.4098148693257921
Energy: 1.3979604204649316
Energy: 1.5401979409750728
Energy: 1.3940300373863679
Energy: 1.4006557256446737
Energy: 1.5423001947826462
Energy: 1.541726051781022
Energy: 1.4099317988432751
Energy: 1.4118223723010848
Energy: 1.5404763072542829
Energy: 1.3964994650562876
Energy: 1.5422722002411537
Energy: 1.4128513182461753
Energy: 1.3973607914065596
Energy: 1.5396688131110177
Energy: 1.5401962713867832
Energy: 1.3970006560455717
Energy: 1.6543450115456064
Energy: 1.4103698834170784
Energy: 1.393281142618049
Energy: 1.5417809400301812
Energy: 1.3884401235636097
Energy: 1.4003029314033173
Energy: 1.5410988303486746
Energy: 1.5399948374303176
Energy: 1.412295309040995
Energy: 1.414273234365201
Energy: 1.4120729633888052
Energy: 1.407720258584016
Energy: 1.4131530793543134
Energy: 1.4122694728657244
Energy: 1.3943876785389575
Energy: 1.410555843599621
Energy: 1.4105290772101535
Energy: 1.400722695097987
Energy: 1.411722455666738
Energy: 1.4117002894278268
Energy: 1.393810797678328
Energy: 1.394911545979733
Energy: 1.3930310468708078
Energy: 1.398046980299914
Energy: 1.3934012317552753
Energy: 1.393818826132751
Energy: 1.3948525341251696
Energy: 1.3942927522135828
Energy: 1.395976469680523
Energy: 1.4101174832442727
Energy: 1.4103331500298177
Energy: 1.391116544488367
Energy: 1.3948700771103808
Energy: 1.3983916817196003
Energy: 1.3970723618293142
Energy: 1.3893492836471442
Energy: 1.4129934929233052
Energy: 1.3949713649294757
Energy: 1.403663603165121
Energy: 1.3964893782904746
Energy: 1.3940849613893147
Energy: 1.3854970637343167
Energy: 1.4126362042622194
Energy: 1.3991561716291787
Energy: 1.4005156974581776
Energy: 1.3948665304393917
Energy: 1.3971674066422552
Energy: 1.4033142870793989
Energy: 1.3952057027731
Energy: 1.3923201473420181

minimum gb energy = 1.384256966672614 eV
minimum distance =  2.32884426498661 Angstroms
sigma value = 33


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

Energy: 0.013312883101234093
Energy: 0.030142178938270765
Energy: 0.031732203572588435
Energy: 0.03854060659387464
Energy: 0.030046050273708092
Energy: 0.02006943200477501
Energy: 0.13908879011633385
Energy: 0.14616912488817954
Energy: 0.14414285071982869
Energy: 0.1398217873330115
Energy: 0.13921787702269844
Energy: 0.1424719652127928
Energy: 0.8955709830794921
Energy: 0.03085409306936136
Energy: 0.021743937481190558
Energy: 0.014390012783577813
Energy: 0.03006227856426257
Energy: 0.032552184894392724
Energy: 0.013919153797236508
Energy: 0.1461691248902139
Energy: 0.14414285071982869
Energy: 0.1398217873330115
Energy: 0.13921787702610838
Energy: 0.14247196521347094

minimum gb energy = 0.013312883101234093 eV
minimum distance =  2.47145898841457 Angstroms
sigma value = 1