Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
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=2.865948021411896
cohesive_energy=4.290335425356015
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=[5.2308343399822196e-21, 4.26648422397762e-20, 1.223665608570768e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700975597574279e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.108292869156428e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18]
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: -2.38418579101562e-07 eV

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

Energy: 0.013162618644280033
Energy: 0.013519172062643404
Energy: 0.21691692157811648
Energy: 0.21698893698795935
Energy: 0.2168546608676692
Energy: 0.013271328338308085
Energy: 0.013519172062643404
Energy: 1.0848319749065445
Energy: 0.21687296440367884
Energy: 0.2169067351947577
Energy: 0.21700302223211287
Energy: 0.21686769648804105
Energy: 0.21691692157811648
Energy: 0.21687296440415008
Energy: 1.0862744395002046
Energy: 0.013407528532777109
Energy: 0.21687778552235157
Energy: 0.21732073531590673
Energy: 0.2169889369874881
Energy: 0.2169067351947577
Energy: 0.013407528532777109
Energy: 0.013299103964155715
Energy: 0.21715622816472036
Energy: 0.21686268921158694
Energy: 0.2168546608676692
Energy: 0.21700302223211287
Energy: 0.21687778552138134
Energy: 0.21715622816472036
Energy: 1.0841340869557035
Energy: 0.21693166252521656
Energy: 0.013271328338807047
Energy: 0.21686769648756982
Energy: 0.2173207353149088
Energy: 0.21686268921158694
Energy: 0.2169316625247453
Energy: 0.013262270357276337

minimum gb energy = 0.013162618644280033 eV
minimum distance =  2.48099425554999 Angstroms
sigma value = 1


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

Energy: 1.972027185900688
Energy: 1.388893588425879
Energy: 1.3360354985594691
Energy: 1.3347460770294848
Energy: 1.3339838731463456
Energy: 1.389290881348775
Energy: 1.214455033022441
Energy: 1.4093783574043566
Energy: 1.3187744330029187
Energy: 1.321908193626563
Energy: 1.3186424894258506
Energy: 1.3385437617076348
Energy: 1.2327854365591782
Energy: 1.3173092708046705
Energy: 1.4096607441502325
Energy: 1.2560506977655115
Energy: 1.3182031483138676
Energy: 1.317896064217922
Energy: 1.3117527577772934
Energy: 1.3110769598551653
Energy: 1.3991429746639021
Energy: 1.43784663446538
Energy: 1.311015001633807
Energy: 1.313165272232586
Energy: 1.258187250217864
Energy: 1.3176081253595113
Energy: 1.318393347240861
Energy: 1.3205458934835643
Energy: 1.4164541014729533
Energy: 1.3133847995090084
Energy: 1.257223841339051
Energy: 1.3979461300207596
Energy: 1.397929137775036
Energy: 1.3196624708211777
Energy: 1.3990467994367113
Energy: 1.3982547110217758
Energy: 1.2577357312390933
Energy: 1.3971767284873375
Energy: 1.3976299293150305
Energy: 1.4389433913367724
Energy: 1.3979655752105338
Energy: 1.397374529640583
Energy: 1.2583352968338666
Energy: 1.2570838630739314
Energy: 1.2305477692518338
Energy: 1.2330115281515244
Energy: 1.3531678137532994
Energy: 1.2568939397452343
Energy: 1.2139654510100268
Energy: 1.4005374219129327
Energy: 1.4013867115531222
Energy: 1.3189046070143633
Energy: 1.4011703926405394
Energy: 1.3530709065077102
Energy: 1.2194208386677654
Energy: 1.3977023774182993
Energy: 1.3985428205521955
Energy: 1.3207102981441468
Energy: 1.3983119064353078
Energy: 1.3986977855679723
Energy: 1.2571881685398048
Energy: 1.25784136322612
Energy: 1.317380382804218
Energy: 1.2315039719673968
Energy: 1.3174946578006026
Energy: 1.2578373910483747
Energy: 1.3134418201759275
Energy: 1.3114605434430655
Energy: 1.3821285637180576
Energy: 1.2185012900483891
Energy: 1.311573480242004
Energy: 1.313431973806507
Energy: 1.319767484025426
Energy: 1.311288671505313
Energy: 1.381960628218309
Energy: 1.2164344875272957
Energy: 1.311739740773062
Energy: 1.319399297130772
Energy: 1.3196287918488399
Energy: 1.318233632171449
Energy: 1.3177305883791655
Energy: 1.2322498853045187
Energy: 1.3171999233815148
Energy: 1.3175808176976056
Energy: 1.2557129044149857
Energy: 1.3110574119085496
Energy: 1.3109599117960522
Energy: 1.320206123375302
Energy: 1.3108916485826707
Energy: 1.3989190331472416
Energy: 1.2555761985703506
Energy: 1.3180419562201886
Energy: 1.316835899690419
Energy: 1.3142956241600494
Energy: 1.316906271711309
Energy: 1.3383917239419587
Energy: 1.3195641200317556
Energy: 1.3178879363339773
Energy: 1.2589629978950378
Energy: 1.2570740348348761
Energy: 1.3983313514497813
Energy: 1.3174354266581512
Energy: 1.31862110320012
Energy: 1.4010722926044006
Energy: 1.3992512428309747
Energy: 1.3988250075924527
Energy: 1.4000865514072036
Energy: 1.4426031150278376
Energy: 1.3185842829002594
Energy: 1.3985790018055533
Energy: 1.3430393294853735
Energy: 1.257465859198455
Energy: 1.4001260992529665
Energy: 1.4449018172307342
Energy: 1.230784589947154
Energy: 1.3986892114571787
Energy: 1.2569214813771041
Energy: 1.2572549632454895
Energy: 1.3976624882440782
Energy: 1.312837906037557
Energy: 1.3192394737544084
Energy: 1.3988048947403722
Energy: 1.3985942847543655
Energy: 1.3989306234536878
Energy: 1.398761459414203
Energy: 1.3975818333077008
Energy: 1.2321145229636778
Energy: 1.4013788590814185
Energy: 1.4010210769811537
Energy: 1.2169363457273785
Energy: 1.4009022683747583
Energy: 1.3175332295729003
Energy: 1.2142756891770952
Energy: 1.4098823423382962
Energy: 1.31418837602429
Energy: 1.313760820109967
Energy: 1.3178536595532877
Energy: 1.3388458680158422

minimum gb energy = 1.2139654510100268 eV
minimum distance =  2.23458043034914 Angstroms
sigma value = 33


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

Energy: 2.520006782052227
Energy: 1.4002899756188263
Energy: 1.3686995388670247
Energy: 1.3518299793429718
Energy: 1.3688018024302304
Energy: 1.4820653818756884
Energy: 1.5682273928508985
Energy: 1.4337758062121857
Energy: 1.3380986829075139
Energy: 1.3441873738684769
Energy: 1.3380593801161487
Energy: 1.4343402388703435
Energy: 1.44296346556567
Energy: 1.4341815042084556
Energy: 1.4347969607056352
Energy: 1.3556239450741605
Energy: 1.43464639090185
Energy: 1.4362866899103122
Energy: 1.444871189321845
Energy: 1.4340688166225162
Energy: 1.434233351341922
Energy: 1.4625957599662485
Energy: 1.4336609126820816
Energy: 1.4358782278239492
Energy: 1.4800554904311143
Energy: 1.4438642802882269
Energy: 1.4244618989162678
Energy: 1.5078318570364473
Energy: 1.473271604360187
Energy: 1.4362127171159642
Energy: 1.3430789164425414
Energy: 1.4812978821983347
Energy: 1.4812192601778724
Energy: 1.3440214450840255
Energy: 1.4834276582430421
Energy: 1.4810531653062495
Energy: 1.343673430811625
Energy: 1.4817941171298539
Energy: 1.481331398971649
Energy: 1.5889100495435644
Energy: 1.4821030223196192
Energy: 1.4819153315077773
Energy: 1.3440572655497227
Energy: 1.3372054331786583
Energy: 1.3432310497212794
Energy: 1.3433488203740653
Energy: 1.4834160548597684
Energy: 1.3367932778212719
Energy: 1.4026573632487689
Energy: 1.434858692843395
Energy: 1.4427388312387042
Energy: 1.446790553707056
Energy: 1.4343263572598193
Energy: 1.5058474221811797
Energy: 1.3734535662640592
Energy: 1.4336818969786362
Energy: 1.4668667069773655
Energy: 1.471700463125086
Energy: 1.433630948195801
Energy: 1.4677715154045858
Energy: 1.3435341002099137
Energy: 1.4238142387485582
Energy: 1.443536850021732
Energy: 1.4435554666408843
Energy: 1.4437813756114877
Energy: 1.3458239839126813
Energy: 1.343590062967458
Energy: 1.3366504764389875
Energy: 1.3378977432728023
Energy: 1.316353877614873
Energy: 1.336820907859304
Energy: 1.3369732793021087
Energy: 1.3182380764430124
Energy: 1.3366892796086354
Energy: 1.3381389840832405
Energy: 1.3077908376138667
Energy: 1.3370199889641594
Energy: 1.33668599049799
Energy: 1.3094859523224007
Energy: 1.3585726272535357
Energy: 1.4436225201631754
Energy: 1.4425936277801072
Energy: 1.443788755753132
Energy: 1.3099181771060306
Energy: 1.343213484004759
Energy: 1.47453070514659
Energy: 1.5145758165837344
Energy: 1.4718141289436553
Energy: 1.476624122443265
Energy: 1.474494353509136
Energy: 1.3561200431682854
Energy: 1.4760179750590268
Energy: 1.4999726517152523
Energy: 1.4724302255302593
Energy: 1.4763660036011197
Energy: 1.542861261947294
Energy: 1.3589300162136417
Energy: 1.309183180321169
Energy: 1.4439484238207672
Energy: 1.447350821533769
Energy: 1.475102083624218
Energy: 1.3091287226393231
Energy: 1.2728972744063176
Energy: 1.474326067382314
Energy: 1.4745000748401274
Energy: 1.5746450691290452
Energy: 1.4753209235831781
Energy: 1.4771916175410826
Energy: 1.2712485487939327
Energy: 1.4748386746921718
Energy: 1.4751982700491608
Energy: 1.4718670265750746
Energy: 1.4764902919993839
Energy: 1.4749473512984415
Energy: 1.3203963590297627
Energy: 1.3380854527846604
Energy: 1.433752871626231
Energy: 1.4951133615418775
Energy: 1.640314148484164
Energy: 1.3211139856992806
Energy: 1.321047452462622
Energy: 1.3369832156449177
Energy: 1.3929607593443794
Energy: 1.3621307533129412
Energy: 1.3376335589295905
Energy: 1.319235442490706
Energy: 1.343858092687373
Energy: 1.3373998095725677
Energy: 1.6437754809105034
Energy: 1.3529842946651351
Energy: 1.3372479004797893
Energy: 1.337891227030307
Energy: 1.5058419548448745
Energy: 1.6513478778678083
Energy: 1.4344649741471391
Energy: 1.4432695887191938
Energy: 1.4430571088504434
Energy: 1.4222341314493079
Energy: 1.3085139533716612
Energy: 1.4359443130382805
Energy: 1.4337257897453024
Energy: 1.4473070958580536
Energy: 1.4353197054548805
Energy: 1.4787043867912872
Energy: 1.5061313785623986
Energy: 1.4880909795513853
Energy: 1.435735245547434
Energy: 1.4473186796085182
Energy: 1.442054504483619
Energy: 1.422332459525384
Energy: 1.3432572540841703
Energy: 1.4820596387831302
Energy: 1.4808899944935092
Energy: 1.34371913761592
Energy: 1.4812451027721438
Energy: 1.3430322035867486
Energy: 1.4117380236541843
Energy: 1.4807922938050178
Energy: 1.4807671666179456
Energy: 1.457187166336391
Energy: 1.4809930098697002
Energy: 1.4819969064425613
Energy: 1.3433185731031503
Energy: 1.4811215129301907
Energy: 1.3375126839178224
Energy: 1.3435713040642003
Energy: 1.4814862882145086
Energy: 1.3431903356391428
Energy: 1.4472058252013211
Energy: 1.4438834555927553
Energy: 1.5039896778653583
Energy: 1.4392438119468218
Energy: 1.4367404135312498
Energy: 1.4422193360401996
Energy: 1.4712933192165178
Energy: 1.4422774491983255
Energy: 1.468502813465813
Energy: 1.4817814497672706
Energy: 1.4358456122958778
Energy: 1.4518629825427203
Energy: 1.4424931374565535
Energy: 1.4426417901721142
Energy: 1.4220926760200252
Energy: 1.344366252043826
Energy: 1.443527121042718
Energy: 1.4685492349167024
Energy: 1.4398817655200953
Energy: 1.3382234831669915
Energy: 1.3368305634257827
Energy: 1.3445543095360841
Energy: 1.3367217939994878
Energy: 1.7004322770515954
Energy: 1.418224099625583
Energy: 1.3378054377119333
Energy: 1.3365891819966906
Energy: 1.3186883250366668
Energy: 1.3365046076095417
Energy: 1.434975055054746
Energy: 1.4943105977163387
Energy: 1.4342319314396388
Energy: 1.3197350758951198
Energy: 1.3585607756586808
Energy: 1.3372200534141663
Energy: 1.4345412264060953
Energy: 1.4719220989693396
Energy: 1.4752023565179855
Energy: 1.4743926449821136
Energy: 1.3416254010424669
Energy: 1.4742129613437605
Energy: 1.4698658830297218
Energy: 1.4695904453820554
Energy: 1.475623789224569
Energy: 1.4746259761255662
Energy: 1.320285000162871
Energy: 1.4743467548977127
Energy: 1.497640347096431
Energy: 1.4419534246061332
Energy: 1.4270325342749983
Energy: 1.3089374725486767
Energy: 1.3096290905026247
Energy: 1.3089163124390182
Energy: 1.4441950183524346
Energy: 1.4713608837601388
Energy: 1.477150711732001
Energy: 1.4752171297570942
Energy: 1.2730433598556632
Energy: 1.4749599566544678
Energy: 1.4964759788742295
Energy: 1.4915870390866464
Energy: 1.4756541343140364
Energy: 1.4743801274810608
Energy: 1.2708040931533973
Energy: 1.4742966288398147
Energy: 1.5105140314577385
Energy: 1.4970169710260415
Energy: 1.4442322090917559
Energy: 1.3201199552927607
Energy: 1.3584887921687863
Energy: 1.3196357704605173
Energy: 1.4545786521010569
Energy: 1.2793238118853147
Energy: 1.3369481101049785
Energy: 1.3372477647592997
Energy: 1.3205234724214356
Energy: 1.3367214345832987
Energy: 1.4720439654778181

minimum gb energy = 1.2708040931533973 eV
minimum distance =  2.23617580400021 Angstroms
sigma value = 51


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

Energy: 2.35609793569225
Energy: 1.5146897031953575
Energy: 1.4166513034736115
Energy: 1.4559619100866694
Energy: 1.4167220545118708
Energy: 1.5151409685096844
Energy: 1.3035627023318803
Energy: 1.5298392072898261
Energy: 1.4156079590879205
Energy: 1.4926655268969498
Energy: 1.4162725901441866
Energy: 1.4194291505082248
Energy: 1.4662895913533271
Energy: 1.416176874847947
Energy: 1.5296495352877428
Energy: 1.45540250129268
Energy: 1.4163753498267677
Energy: 1.4161358864162903
Energy: 1.4503358111688678
Energy: 1.4160672338832467
Energy: 1.415954695590438
Energy: 1.4536650131264852
Energy: 1.4158397228630855
Energy: 1.4165818844856775
Energy: 1.4545224415089748
Energy: 1.4283444761879291
Energy: 1.4198620454314126
Energy: 1.4543523154623
Energy: 1.5189344684020378
Energy: 1.4284374119548573
Energy: 1.4787596613058338
Energy: 1.5224829180009225
Energy: 1.4165179486138446
Energy: 1.4985140918815505
Energy: 1.5225630050423613
Energy: 1.522800820191812
Energy: 1.4793449460985646
Energy: 1.523287260320825
Energy: 1.5243100985389981
Energy: 1.6179098730807546
Energy: 1.5258662048665697
Energy: 1.5224117825746852
Energy: 1.4829371904192041
Energy: 1.4164258028429246
Energy: 1.4167650075750908
Energy: 1.4968957972400692
Energy: 1.521781603406758
Energy: 1.4158299385190483
Energy: 1.2765217296888514
Energy: 1.416432914294215
Energy: 1.4163837612040346
Energy: 1.4541197802547239
Energy: 1.416186880094412
Energy: 1.5059537603937125
Energy: 1.2738236203891393
Energy: 1.4156885511497987
Energy: 1.416448486413689
Energy: 1.4903446316521882
Energy: 1.4161339901185992
Energy: 1.5045459318434495
Energy: 1.479202243108265
Energy: 1.4196821984952266
Energy: 1.4279726908731514
Energy: 1.4839855148830323
Energy: 1.4202432520631405
Energy: 1.4290446277976263
Energy: 1.4659016066064259
Energy: 1.415536274764504
Energy: 1.4156383199616902
Energy: 1.4677025427655086
Energy: 1.415051157411122
Energy: 1.4153854510081774
Energy: 1.4489616980847795
Energy: 1.4155997222555496
Energy: 1.416004409739937
Energy: 1.4674783330898362
Energy: 1.4150650968934853
Energy: 1.4158176557338433
Energy: 1.4549753197513557
Energy: 1.4194066626312154
Energy: 1.4192448700558056
Energy: 1.4540038251981533
Energy: 1.4449323303089598
Energy: 1.4285865049147226
Energy: 1.480300657564293
Energy: 1.5206621137149572
Energy: 1.521039447510025
Energy: 1.6706814014638365
Energy: 1.520908730539053
Energy: 1.520662340020518
Energy: 1.4641124997110233
Energy: 1.5206874811587063
Energy: 1.5209719275553442
Energy: 1.6227413454878301
Energy: 1.52060315906834
Energy: 1.4160429752014672
Energy: 1.4539435118464048
Energy: 1.419722416375736
Energy: 1.419432543311588
Energy: 1.4157784147146288
Energy: 1.4200413113444887
Energy: 1.4192886021300113
Energy: 1.2734773704368534
Energy: 1.4159845129574624
Energy: 1.4155248126219362
Energy: 1.4498393358745942
Energy: 1.4161718357834077
Energy: 1.5041476707121602

minimum gb energy = 1.2734773704368534 eV
minimum distance =  2.24740994722005 Angstroms
sigma value = 19


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

Energy: 2.1969705637990353
Energy: 1.5353269709029063
Energy: 1.4427342998975323
Energy: 1.5217170263697246
Energy: 1.441493841564876
Energy: 1.535664121395626
Energy: 1.3999546432761258
Energy: 1.5886013911803796
Energy: 1.4420683993043975
Energy: 1.4022656455986926
Energy: 1.500398355755123
Energy: 1.5880589852736022
Energy: 1.4671801767492014
Energy: 1.5730260228868669
Energy: 1.5749205415188046
Energy: 1.4030228849826973
Energy: 1.5735212707662458
Energy: 1.6432219508419301
Energy: 1.6509050399937981
Energy: 1.5741169736259755
Energy: 1.5737454549933332
Energy: 1.4889964946207117
Energy: 1.5740020543850393
Energy: 1.573919276004851
Energy: 1.6375543700064086
Energy: 1.58881802758138
Energy: 1.53745019417479
Energy: 1.4033599997825064
Energy: 1.5949174571381406
Energy: 1.662081882176335
Energy: 1.6571750439120319
Energy: 1.5728617200455346
Energy: 1.5778788263688972
Energy: 1.4035441769470696
Energy: 1.5748775053479496
Energy: 1.6142838115462057
Energy: 1.4983076654490906
Energy: 1.5735054078703772
Energy: 1.6259875271278876
Energy: 1.613898788446916
Energy: 1.5881570530417572
Energy: 1.6077001522074434
Energy: 1.499114981284429
Energy: 1.5752362182541113
Energy: 1.502064417756386
Energy: 1.40226177049174
Energy: 1.5749360440882136
Energy: 1.6074329996064955
Energy: 1.3969359119946134
Energy: 1.5012062591335864
Energy: 1.4413682111309454
Energy: 1.4022261856582263
Energy: 1.4412223330087586
Energy: 1.5878826339019327
Energy: 1.3380427205988465
Energy: 1.4414704226789163
Energy: 1.4421255484949898
Energy: 1.4378331401481996
Energy: 1.4416933938040564
Energy: 1.5772880182615805
Energy: 1.4376328086628922
Energy: 1.5727158474257448
Energy: 1.5009989280451264
Energy: 1.4704825157807795
Energy: 1.5005384213984967
Energy: 1.608325087358227
Energy: 1.43908119420219
Energy: 1.620774741369398
Energy: 1.623150964272376
Energy: 1.4988872183042414
Energy: 1.6211896422407976
Energy: 1.6069862405326925
Energy: 1.7425793106594418
Energy: 1.62489571691634
Energy: 1.622526114442216
Energy: 1.4987472431591735
Energy: 1.6258683263650613
Energy: 1.6908309031704425
Energy: 1.5126352246982475
Energy: 1.6212342058950435
Energy: 1.573915741775913
Energy: 1.5121541838675048
Energy: 1.5745495958225428
Energy: 1.439054433931501
Energy: 1.4376543754413016
Energy: 1.4421176080693763
Energy: 1.5972069008573775
Energy: 1.4480723465437018
Energy: 1.5002351197923072
Energy: 1.4858051524608267
Energy: 1.4026234943641787
Energy: 1.4419451997217927
Energy: 1.5161796374971108
Energy: 1.4456908000770599
Energy: 1.441541645612203
Energy: 1.4619871051273712
Energy: 1.4030387765994021
Energy: 1.500796613371467
Energy: 1.587765756766062
Energy: 1.4993148291651255
Energy: 1.5880806915473573
Energy: 1.4419735143178145
Energy: 1.550440256896946
Energy: 1.5727637990376346
Energy: 1.644252322407879
Energy: 1.630027754035423
Energy: 1.5730116370470424
Energy: 1.5727677761676104
Energy: 1.5062606220373234
Energy: 1.5729917438712782
Energy: 1.5734126444309589
Energy: 1.64331224281936
Energy: 1.5724538073135568
Energy: 1.5746210390716926
Energy: 1.4509001583717038
Energy: 1.5375719200583091
Energy: 1.6122643112124897
Energy: 1.5124492341925997
Energy: 1.5891846949267832
Energy: 1.4512519793062086
Energy: 1.4480806956518149
Energy: 1.5737958965217953
Energy: 1.5727643506748006
Energy: 1.648124908748406
Energy: 1.5731893093774088
Energy: 1.5949387878817778
Energy: 1.3413925823222348
Energy: 1.5733025340853508
Energy: 1.6066845663973308
Energy: 1.631189652411986
Energy: 1.5745883230756919
Energy: 1.6151552140522571
Energy: 1.3648643923139023
Energy: 1.500693138448141
Energy: 1.5742961162054963
Energy: 1.4997693165952006
Energy: 1.5734732738597086
Energy: 1.5010768982911038
Energy: 1.402579011545494
Energy: 1.4413627504082729
Energy: 1.5770955444668178
Energy: 1.3967202813178214
Energy: 1.4411129758894605
Energy: 1.4414149996308505
Energy: 1.4377194748657198
Energy: 1.441358346092348
Energy: 1.5009403931761531
Energy: 1.3968434159160756
Energy: 1.4421828955910905
Energy: 1.441256617170128
Energy: 1.4679997450464612
Energy: 1.5000227895958504
Energy: 1.6067620495512518
Energy: 1.498706379798997
Energy: 1.5730327954910972
Energy: 1.5167837092317753
Energy: 1.4976235520775418
Energy: 1.6208100119725692
Energy: 1.621070618513029
Energy: 1.4993380358222137
Energy: 1.6215757402378657
Energy: 1.6211192517316817
Energy: 1.4990220749382284
Energy: 1.620631141550583
Energy: 1.624732963811101
Energy: 1.6778459146720883
Energy: 1.620771597577668
Energy: 1.6075467078064425
Energy: 1.4992383079179112
Energy: 1.5877948414860024
Energy: 1.523634214568302
Energy: 1.499953111518461
Energy: 1.5377336392263063
Energy: 1.5759496002534423
Energy: 1.3364597970103298
Energy: 1.4414113887023303
Energy: 1.4417011522175807
Energy: 1.4383263905994266
Energy: 1.4418583414312007
Energy: 1.5163338282808934

minimum gb energy = 1.3364597970103298 eV
minimum distance =  2.22768179177932 Angstroms
sigma value = 27


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

Energy: 1.8087842121260695
Energy: 1.571462293380857
Energy: 1.4830523357475294
Energy: 1.3556785976208998
Energy: 1.4818519298477193
Energy: 1.5717810179156304
Energy: 1.2901560772532417
Energy: 1.570654200769769
Energy: 1.526224706844722
Energy: 1.3063948819713214
Energy: 1.4781399163287687
Energy: 1.485386196354519
Energy: 1.307651421831689
Energy: 1.4798252036533146
Energy: 1.4790609426386359
Energy: 1.3070775914041883
Energy: 1.480564091352016
Energy: 1.5285693481370315
Energy: 1.4722000725566133
Energy: 1.4794617971328416
Energy: 1.479440252435425
Energy: 1.3097889572315544
Energy: 1.4797222424092105
Energy: 1.4784747970199124
Energy: 1.3077714317874165
Energy: 1.483644392839255
Energy: 1.4793391451375881
Energy: 1.306553742478148
Energy: 1.5734662602049816
Energy: 1.4830677571197366
Energy: 1.3543396397835323
Energy: 1.4789912726335637
Energy: 1.570568637161198
Energy: 1.3082966968027063
Energy: 1.568303549363799
Energy: 1.4830114785091262
Energy: 1.3552727762376466
Energy: 1.483345978564095
Energy: 1.5716312552646654
Energy: 1.8169031237646196
Energy: 1.483944948438236
Energy: 1.6102091708775506
Energy: 1.305360652615628
Energy: 1.4796146595482615
Energy: 1.570855909843737
Energy: 1.3080789867618932
Energy: 1.5686105824725662
Energy: 1.3079860150795237
Energy: 1.3065951728873164
Energy: 1.480513327930538
Energy: 1.479430043552114
Energy: 1.3075078009106897
Energy: 1.480658926745202
Energy: 1.5695717376529676
Energy: 1.4857655072106026
Energy: 1.4796148920681822
Energy: 1.4784692944178324
Energy: 1.3540909028388357
Energy: 1.4799039210097003
Energy: 1.4791058709375058
Energy: 1.3066562182719428
Energy: 1.5724830859409549
Energy: 1.4836688422534434
Energy: 1.3078064401451128
Energy: 1.5683824130166752
Energy: 1.5270801015848572
Energy: 1.3081436947960623
Energy: 1.5689687662504024
Energy: 1.4820352842156355
Energy: 1.354517411731413
Energy: 1.479036336717443
Energy: 1.5698385039075253

minimum gb energy = 1.2901560772532417 eV
minimum distance =  2.26223032636089 Angstroms
sigma value = 9


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

Energy: 1.4920013850344993
Energy: 1.5321131289038075
Energy: 1.4006261835157858
Energy: 1.477736161924636
Energy: 1.4419026892680118
Energy: 1.6133680018032994
Energy: 1.4496907336166915
Energy: 1.709874216178495
Energy: 1.439450548665859
Energy: 1.4708765147636007
Energy: 1.4394542879060965
Energy: 1.4905595485444616
Energy: 1.512486378519283
Energy: 1.6918659041539565
Energy: 1.6784271902698928
Energy: 1.4426599722593574
Energy: 1.6746250484414407
Energy: 1.4408156389995064
Energy: 1.3524831560848085
Energy: 1.6795699190086606
Energy: 1.6793172643549354
Energy: 1.4414212220940557
Energy: 1.6697725592553798
Energy: 1.688704164152515
Energy: 1.4404892527681934
Energy: 1.6780568974891203
Energy: 1.6934993165911816
Energy: 1.5437564239611894
Energy: 1.6700174018121074
Energy: 1.5607670756953584
Energy: 1.438881519331401
Energy: 1.43948181197595
Energy: 1.6761336679612562
Energy: 1.488359538905266
Energy: 1.4405105153785096
Energy: 1.4391633412259894
Energy: 1.4012612992339992
Energy: 1.440719486864409
Energy: 1.5766441873966464
Energy: 1.6336926517023045
Energy: 1.4410785623016766
Energy: 1.4013669403385596
Energy: 1.3872431236869307
Energy: 1.4392057957560842
Energy: 1.6555254300931566
Energy: 1.4887018523564997
Energy: 1.4406697951545246
Energy: 1.3912464257174455
Energy: 1.4028129894488353
Energy: 1.6494504159914787
Energy: 1.6468943369558384
Energy: 1.5441189027388367
Energy: 1.6357539805578016
Energy: 1.4007459742995918
Energy: 1.4020159991670453
Energy: 1.6477488628714734
Energy: 1.6329351012563125
Energy: 1.4262202723441284
Energy: 1.6340244516427034
Energy: 1.6545761602388576
Energy: 1.4745106213573422
Energy: 1.6457867221262137
Energy: 1.6321316947181717
Energy: 1.519710095129923
Energy: 1.632174999537715
Energy: 1.4048985801915288
Energy: 1.407655519390094
Energy: 1.5994699324841077
Energy: 1.5596379169130092
Energy: 1.542002531080079
Energy: 1.5603337836020534
Energy: 1.4749034299200583
Energy: 1.4354357729584346
Energy: 1.5629547584670305
Energy: 1.5297639373720102
Energy: 1.4522474439370379
Energy: 1.5622691640054944
Energy: 1.6779627721166197
Energy: 1.4084924440289155
Energy: 1.5630864120083723
Energy: 1.527292415587054
Energy: 1.4535251835235778
Energy: 1.5607325652885533
Energy: 1.638137748435075
Energy: 1.4766331044566852
Energy: 1.6261879105261707
Energy: 1.4549583596195361
Energy: 1.4542675024508027
Energy: 1.5620450642451031
Energy: 1.4941731142202754
Energy: 1.521588513157802
Energy: 1.5614997935431512
Energy: 1.5641631450405349
Energy: 1.452811477775355
Energy: 1.5613663023597772
Energy: 1.5970369140270457
Energy: 1.351778062180629
Energy: 1.560500173419899
Energy: 1.561741145837679
Energy: 1.489884020739965
Energy: 1.5598683185829159
Energy: 1.5960399558067355
Energy: 1.496754685740488
Energy: 1.6325965368794066
Energy: 1.562131832442796
Energy: 1.441377259278053
Energy: 1.6324832251564416
Energy: 1.4975997784526291
Energy: 1.4026784204346707
Energy: 1.6565991835839124
Energy: 1.6782802522272235
Energy: 1.5597782639673332
Energy: 1.6432417701663873
Energy: 1.3939363080045515
Energy: 1.4038970924014293
Energy: 1.6361080415063836
Energy: 1.7337720885614127
Energy: 1.5124476850491742
Energy: 1.6327115530238367
Energy: 1.5908174059996987
Energy: 1.4003477019561177
Energy: 1.3991820564541275
Energy: 1.653353716276126
Energy: 1.5408624076482924
Energy: 1.6567613655229598
Energy: 1.399366974497707
Energy: 1.391482113253264
Energy: 1.4402960634924062
Energy: 1.5165132830599481
Energy: 1.3477409311256234
Energy: 1.4402203668635976
Energy: 1.3926748742827342
Energy: 1.4364140453241758
Energy: 1.4393202830927745
Energy: 1.603878473907952
Energy: 1.346899806037331
Energy: 1.439115115505417
Energy: 1.4390727636446219
Energy: 1.4412909803139942
Energy: 1.679731372316226
Energy: 1.7405345497500015
Energy: 1.5133625320618138
Energy: 1.6725927568402894
Energy: 1.4419262439261151
Energy: 1.4395177246070525
Energy: 1.7040551622789408
Energy: 1.689172712142589
Energy: 1.440936394367313
Energy: 1.6787038772424752
Energy: 1.6905102953055176
Energy: 1.4402758884488065
Energy: 1.6799905421589525
Energy: 1.6830435722279098
Energy: 1.3530342022758504
Energy: 1.6865643102966454
Energy: 1.4417291439020998
Energy: 1.4882829810677645
Energy: 1.6732119445182545
Energy: 1.4404581547659054
Energy: 1.4403356993120504
Energy: 1.4421137804979363
Energy: 1.5123279554215074
Energy: 1.5364707059002685
Energy: 1.439287900900563
Energy: 1.4400371413126618
Energy: 1.4109410166850158
Energy: 1.439816326908651
Energy: 1.559864573711944
Energy: 1.4007622157660484
Energy: 1.4391164399883491
Energy: 1.438881757973483
Energy: 1.386896763039932
Energy: 1.4391289925369972
Energy: 1.5594876036839835
Energy: 1.5107611873480147
Energy: 1.6369560864246784
Energy: 1.4016692157674548
Energy: 1.4019002790006063
Energy: 1.6562297051505055
Energy: 1.5599855894210637
Energy: 1.5207008987817099
Energy: 1.6318497125791172
Energy: 1.6475692997701827
Energy: 1.3988919250960685
Energy: 1.631881886046205
Energy: 1.7341172845940305
Energy: 1.523965056049169
Energy: 1.6350076638068205
Energy: 1.6630077646292392
Energy: 1.4046282712899147
Energy: 1.6474815427343108
Energy: 1.663024731553255
Energy: 1.5153671139311224
Energy: 1.5613611315247384
Energy: 1.6478031132716875
Energy: 1.4983869481888838
Energy: 1.6366680928233952
Energy: 1.5110477392607204
Energy: 1.466206640582418
Energy: 1.5613587297529463
Energy: 1.5607524145731861
Energy: 1.386821590145569
Energy: 1.5610132188450647
Energy: 1.5087248750130346
Energy: 1.4532684294464413
Energy: 1.5598207016140373
Energy: 1.5605342380232559
Energy: 1.5364933111582728
Energy: 1.5600878859321268
Energy: 1.5235798750732923
Energy: 1.4490592050762003
Energy: 1.5324996616910254
Energy: 1.6185541643238017
Energy: 1.4974623917957501
Energy: 1.6246600057455631
Energy: 1.4522266308480505
Energy: 1.4962543956569643
Energy: 1.5602058502147051
Energy: 1.5634174814887944
Energy: 1.3522071033027383
Energy: 1.56011652456807
Energy: 1.5615688888801738
Energy: 1.4537203429553094
Energy: 1.5801321728034163
Energy: 1.597575123518567
Energy: 1.4238029376824322
Energy: 1.5611613954409767
Energy: 1.484538901182494
Energy: 1.512679810693115
Energy: 1.5619734305201507
Energy: 1.6058074891794698
Energy: 1.47794281384274
Energy: 1.6364052424588804
Energy: 1.5114868967284003
Energy: 1.4369136696986697
Energy: 1.6341944152340757
Energy: 1.6633010950619547
Energy: 1.4061847988007234
Energy: 1.6414284713078868
Energy: 1.6328375127633858
Energy: 1.4412558484670595
Energy: 1.632188941250834
Energy: 1.655054338016244
Energy: 1.4019602260808093
Energy: 1.6327201982043482
Energy: 1.6317523772711389
Energy: 1.5112160227965987
Energy: 1.6363436253045498
Energy: 1.4009952716869518
Energy: 1.4022600044237148
Energy: 1.656606928542325
Energy: 1.511168304363093
Energy: 1.490265357434263
Energy: 1.4389705823594978
Energy: 1.4391346477005948
Energy: 1.3861820158758178
Energy: 1.4393985359439405
Energy: 1.5498757493953457

minimum gb energy = 1.346899806037331 eV
minimum distance =  2.22666177693909 Angstroms
sigma value = 57


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

Energy: 2.4480928042257695
Energy: 1.5862348280903473
Energy: 1.2732407282150822
Energy: 1.2751206188485018
Energy: 1.4296391308312162
Energy: 1.5946381145264052
Energy: 1.2492586760179962
Energy: 1.5706823419871607
Energy: 1.42587213953522
Energy: 1.2433920408233592
Energy: 1.4256809612366255
Energy: 1.5685919684826086
Energy: 1.2461356422743983
Energy: 1.5795003994898245
Energy: 1.5801901163938943
Energy: 1.2514317219554136
Energy: 1.580155770123008
Energy: 1.4285434671634776
Energy: 1.241446235717904
Energy: 1.579851800358558
Energy: 1.5792705919657015
Energy: 1.251591241485967
Energy: 1.579827192428689
Energy: 1.2374260789849763
Energy: 1.2420500678450581
Energy: 1.4721722913866555
Energy: 1.5794875765728467
Energy: 1.2464289886754976
Energy: 1.5796372376707477
Energy: 1.4731477158829884
Energy: 1.24257941154271
Energy: 1.4256402007753952
Energy: 1.593860969855691
Energy: 1.2476543098945099
Energy: 1.4264546825575075
Energy: 1.425029752493152
Energy: 1.2705732147553357
Energy: 1.4303196453089244
Energy: 1.4335479020936797
Energy: 1.420713113532226
Energy: 1.4285069161883763
Energy: 1.2721865218110067
Energy: 1.274589326902452
Energy: 1.425852025227714
Energy: 1.5901082552155485
Energy: 1.4288763459653537
Energy: 1.4269919951378003
Energy: 1.4247371307824122
Energy: 1.2718832928210098
Energy: 1.2723278894685601
Energy: 1.5794633912633664
Energy: 1.2482252799242735
Energy: 1.5892439067326734
Energy: 1.2731932387911609
Energy: 1.2730851950227478
Energy: 1.4291820163067643
Energy: 1.565108654795073
Energy: 1.4238452759812619
Energy: 1.4279816348208814
Energy: 1.273241143980734
Energy: 1.2446553911816536
Energy: 1.4269652033075308
Energy: 1.566017049919959
Energy: 1.239289595403567
Energy: 1.4258526595567529
Energy: 1.2470949486086014
Energy: 1.2486400409145972
Energy: 1.58565893427233
Energy: 1.5809329850117044
Energy: 1.2452667637811559
Energy: 1.5841390272671765
Energy: 1.4277472343233564
Energy: 1.2463614134084258
Energy: 1.5810637543120203
Energy: 1.472606854832331
Energy: 1.4296495155154236
Energy: 1.584377541622712
Energy: 1.5804180966373325
Energy: 1.2483305124458939
Energy: 1.5813955524596175
Energy: 1.470028679437258
Energy: 1.2415171639660485
Energy: 1.5806261702693412
Energy: 1.4694734948503352
Energy: 1.2479730385811096
Energy: 1.580746508828494
Energy: 1.428335810211679
Energy: 1.2492695614171512
Energy: 1.4278361731608082
Energy: 1.5673045123220835
Energy: 1.2333990972360211
Energy: 1.4275556202080761
Energy: 1.4297735991458367
Energy: 1.2510911483452911
Energy: 1.4291631139344965
Energy: 1.465887907951113
Energy: 1.2330620398266767
Energy: 1.4254637909399914
Energy: 1.4261695197004212
Energy: 1.274065302934674
Energy: 1.4260376988203445
Energy: 1.5655765178754537
Energy: 1.2444344991612926
Energy: 1.587706769617797
Energy: 1.272303534934472
Energy: 1.270018745311881
Energy: 1.4322472673713291
Energy: 1.5663269347187259
Energy: 1.2366469560188185
Energy: 1.5663134792914943
Energy: 1.4255727338607493
Energy: 1.2735185453113231
Energy: 1.425969663484727
Energy: 1.5849077716069182

minimum gb energy = 1.2330620398266767 eV
minimum distance =  2.22244772981751 Angstroms
sigma value = 11


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

Energy: 1.6693013545693642
Energy: 1.269078217543171
Energy: 1.190504524164978
Energy: 1.276270373372488
Energy: 1.1867191394658314
Energy: 1.3868414496223516
Energy: 1.5539758240102146
Energy: 1.4770534299709883
Energy: 1.3224997766023858
Energy: 1.3709500701004325
Energy: 1.3210883053507978
Energy: 1.5142009430558971
Energy: 1.5967806530624458
Energy: 1.490960577822892
Energy: 1.451976785384839
Energy: 1.3717910873302774
Energy: 1.4531651414116784
Energy: 1.5300743420677188
Energy: 1.552450595967541
Energy: 1.4898095914910054
Energy: 1.4523524241982653
Energy: 1.3717213973161664
Energy: 1.4532071229460886
Energy: 1.4971163840326844
Energy: 1.5521617785657271
Energy: 1.4900344538718726
Energy: 1.425502040746271
Energy: 1.4210033465527225
Energy: 1.4894056749949316
Energy: 1.4979490630701033
Energy: 1.5967833721377074
Energy: 1.4825747541629453
Energy: 1.5319091007681793
Energy: 1.2277634822982062
Energy: 1.5008188805889318
Energy: 1.5273779090120507
Energy: 1.396298554833573
Energy: 1.288794105012132
Energy: 1.4791564899322827
Energy: 1.3808039259189182
Energy: 1.478637845219245
Energy: 1.290300762944892
Energy: 1.260498108159347
Energy: 1.479480195839645
Energy: 1.4818642301754352
Energy: 1.371206010183105
Energy: 1.4838124520554699
Energy: 1.2866118303801362
Energy: 1.3955212583684864
Energy: 1.2902036732070745
Energy: 1.5173422948139361
Energy: 1.4820233287059936
Energy: 1.4798720211471923
Energy: 1.2890293207074737
Energy: 1.3930591484098043
Energy: 1.2850080951075078
Energy: 1.2847116215376542
Energy: 1.5059604493246062
Energy: 1.284745040837191
Energy: 1.2876870252959802
Energy: 1.3348037784921598
Energy: 1.284972129200406
Energy: 1.2842401887446608
Energy: 1.476060495014216
Energy: 1.2841298770842624
Energy: 1.2848620489581692
Energy: 1.3205057122472181
Energy: 1.2855877687099657
Energy: 1.5022311454919484
Energy: 1.4814261491064
Energy: 1.420780497326034
Energy: 1.1544905913978438
Energy: 1.2772365634636649
Energy: 1.4293895841883029
Energy: 1.4301098740872666
Energy: 1.2752835212715397
Energy: 1.4261726259240948
Energy: 1.1532346494457077
Energy: 1.2729517235540218
Energy: 1.1543590594417534
Energy: 1.4263285689137806
Energy: 1.1505804515047247
Energy: 1.4261983638417575
Energy: 1.1581416033272705
Energy: 1.4768071646442402
Energy: 1.426753402325071
Energy: 1.4618413803615897
Energy: 1.2712281518276556
Energy: 1.4728636862506002
Energy: 1.3944069559460366
Energy: 1.520485171236608
Energy: 1.4591324894621667
Energy: 1.5112651166886446
Energy: 1.5338647593749706
Energy: 1.4595507705227433
Energy: 1.459938397647663
Energy: 1.5200727738286026
Energy: 1.4607311069369713
Energy: 1.4965927388141922
Energy: 1.517918184691351
Energy: 1.4594287422519512
Energy: 1.3550601293430884
Energy: 1.5936544187894397
Energy: 1.4607091703213162
Energy: 1.4591655175678628
Energy: 1.482739368545331
Energy: 1.4587230529594444
Energy: 1.4593716089972242
Energy: 1.3949361906412063
Energy: 1.4653942643381943
Energy: 1.4747742779230986
Energy: 1.5151252265487245
Energy: 1.4788737734498125
Energy: 1.4597554224071017
Energy: 1.4567143077671532
Energy: 1.477827779578836
Energy: 1.3695986879499344
Energy: 1.223933128826465
Energy: 1.479213659777781
Energy: 1.469526923670912
Energy: 1.5975477611715732
Energy: 1.4462286288702932
Energy: 1.3671644718234968
Energy: 1.2598248614985452
Energy: 1.4778517780197138
Energy: 1.46087243080348
Energy: 1.6894016416001583
Energy: 1.369500437456276
Energy: 1.3203127517056406
Energy: 1.225950057637931
Energy: 1.3548614975203814
Energy: 1.5156814247345411
Energy: 1.35630353947843
Energy: 1.3188897037131875
Energy: 1.2263363280034432
Energy: 1.223278098229397
Energy: 1.2257726359219097
Energy: 1.4606021652805035
Energy: 1.5564233614819398
Energy: 1.317720357305708
Energy: 1.2692386327392564
Energy: 1.1907398158573097
Energy: 1.3166892460636843
Energy: 1.5301263053197593
Energy: 1.5951154122875195
Energy: 1.453795849637171
Energy: 1.1873401859429877
Energy: 1.1845520791363937
Energy: 1.1873825196430874
Energy: 1.514549766345523
Energy: 1.3528337844825835
Energy: 1.3200271060458015
Energy: 1.1875748052267896
Energy: 1.1885858885837013
Energy: 1.3203549230666591
Energy: 1.3726156597521721

minimum gb energy = 1.1505804515047247 eV
minimum distance =  2.20006417398879 Angstroms
sigma value = 41


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

Energy: 1.9568050383675337
Energy: 1.0586785076170528
Energy: 1.0697274793056535
Energy: 1.0696260345323088
Energy: 1.0695666794732295
Energy: 1.3747878696566762
Energy: 1.3683234732436207
Energy: 1.3653653895657276
Energy: 1.184408553616932
Energy: 1.219782630993518
Energy: 1.1851191634165055
Energy: 1.3653875299962446
Energy: 1.5787954359703549
Energy: 1.3663588479622149
Energy: 1.3283368017676744
Energy: 1.179830776613163
Energy: 1.326937553630084
Energy: 1.3673311959556917
Energy: 1.7745184417818982
Energy: 1.3273837199784413
Energy: 1.328432084107697
Energy: 1.1798980975331688
Energy: 1.3274790432126173
Energy: 1.3616123159025129
Energy: 1.7748659224354912
Energy: 1.3276347033760731
Energy: 1.3268795825763466
Energy: 1.3737877407092622
Energy: 1.326742578653675
Energy: 1.3622507318518104
Energy: 1.5767752073976586
Energy: 1.3679877816058876
Energy: 1.3369629998617873
Energy: 1.3754861600188943
Energy: 1.3683769054867245
Energy: 1.3679459511184053
Energy: 1.576638566385813
Energy: 1.3687762836399833
Energy: 1.367612526706738
Energy: 1.3674142107071356
Energy: 1.3677931484450923
Energy: 1.401367492864428
Energy: 1.3703679185049014
Energy: 1.36749182154073
Energy: 1.3681002681341539
Energy: 1.3278536689461007
Energy: 1.378876005925758
Energy: 1.3626887557335612
Energy: 1.5762401619948387
Energy: 1.3370572982832643
Energy: 1.3690921235458278
Energy: 1.3647928888161782
Energy: 1.369096986226454
Energy: 1.3378912365378821
Energy: 1.3799491924209377
Energy: 1.242080802504646
Energy: 1.327653172787899
Energy: 1.3882593752748973
Energy: 1.3271707863789877
Energy: 1.3746463044099397
Energy: 1.2259202298035439
Energy: 1.3274610292072144
Energy: 1.327743638917895
Energy: 1.3718789729094716
Energy: 1.3275878664175136
Energy: 1.2425723273827978
Energy: 1.2274267356299953
Energy: 1.2417224784361836
Energy: 1.3649066678712785
Energy: 1.3677036352384964
Energy: 1.3271640296359695
Energy: 1.2415632386095155
Energy: 1.217302426570754
Energy: 1.179249533754531
Energy: 1.2413929025724786
Energy: 1.3680260790659025
Energy: 1.183710279843572
Energy: 1.1792535568019995
Energy: 1.0664110032131144
Energy: 1.179371483724588
Energy: 1.3260137796688425
Energy: 1.3273341331336697
Energy: 1.17960851301004
Energy: 1.0683612006525987
Energy: 1.069925542094652
Energy: 1.1789034084847154
Energy: 1.3654997323077591
Energy: 1.3680903888652163
Energy: 1.1793390039871268
Energy: 1.0696536323301127
Energy: 1.069697093352684
Energy: 1.179154190082987
Energy: 1.365268942336453
Energy: 1.3674110644934243
Energy: 1.0685537278420516
Energy: 1.0699884681123708
Energy: 1.0662708358219612
Energy: 1.0685868406764167
Energy: 1.2801505040215122
Energy: 1.426385916199322
Energy: 1.1793192971142754
Energy: 1.0684782015033767
Energy: 1.2162226474610094
Energy: 1.1794875983952124
Energy: 1.3291065465102117
Energy: 1.3705844937866585
Energy: 1.1835367555645346
Energy: 1.2160904357532885
Energy: 1.2252774341795385
Energy: 1.3295192599403094
Energy: 1.3645698902453207
Energy: 1.367914003788711
Energy: 1.327279916963766
Energy: 1.2419588215080581
Energy: 1.2247494787164386
Energy: 1.3279201947315595
Energy: 1.327747262099264
Energy: 1.3611340306418058
Energy: 1.3276700540672646
Energy: 1.2426573863793404
Energy: 1.2259405807886836
Energy: 1.328983663438588
Energy: 1.360976218777482
Energy: 1.36169682684347
Energy: 1.3272202525884473
Energy: 1.241740135255753
Energy: 1.5842382640806352
Energy: 1.3375895951304997
Energy: 1.3694350941120723
Energy: 1.365212973412937
Energy: 1.3688312886120135
Energy: 1.3368233566338674
Energy: 1.5828423767728617
Energy: 1.3673126107595603
Energy: 1.3377254330195922
Energy: 1.375549873901985
Energy: 1.3685585552432296
Energy: 1.367310730606435
Energy: 1.5822335730487689
Energy: 1.3682286921797555
Energy: 1.3677223412656982
Energy: 1.363518107046296
Energy: 1.3680914699856026
Energy: 1.348436745831454
Energy: 1.5775641097359272
Energy: 1.3677564247154967
Energy: 1.4015438151017479
Energy: 1.3753773576537318
Energy: 1.3680636881568307
Energy: 1.3674987978540478
Energy: 1.5659713083277824
Energy: 1.3276250976455506
Energy: 1.3267717301286364
Energy: 1.3736207645334393
Energy: 1.3273089489761156
Energy: 1.3356394227667616
Energy: 1.5692059814429842
Energy: 1.3273083842429607
Energy: 1.2420922194336792
Energy: 1.1795483052192122
Energy: 1.327519086462733
Energy: 1.3275351814404044
Energy: 1.7855863233005114
Energy: 1.327306459421445
Energy: 1.242676809798594
Energy: 1.1789951314188463
Energy: 1.3269498439922052
Energy: 1.367125105442828
Energy: 1.5764709186476018
Energy: 1.2423069247041734
Energy: 1.1841219837437527
Energy: 1.2200834618935474
Energy: 1.180618735518729
Energy: 1.3662187731395807
Energy: 1.566035610445017
Energy: 1.0687527054999004
Energy: 1.0649834835786998
Energy: 1.0650224163728517
Energy: 1.0687999376241832
Energy: 1.2391689598052766
Energy: 1.5766650067146346
Energy: 1.1797407375930684
Energy: 1.1818498620675753
Energy: 1.0693112378935035
Energy: 1.183671803370903
Energy: 1.3661166937455713
Energy: 1.7830101333656208
Energy: 1.326912776941031
Energy: 1.0688191636244673
Energy: 1.0683475175380213
Energy: 1.0687897282765575
Energy: 1.3650414987881747
Energy: 1.7610634033831298
Energy: 1.1795677246724472
Energy: 1.069352050976627
Energy: 1.0694528095686286
Energy: 1.1795962070009882
Energy: 1.281275227422211

minimum gb energy = 1.0586785076170528 eV
minimum distance =  2.20416339016791 Angstroms
sigma value = 33


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

Energy: 1.8337474954027273
Energy: 0.9327736394275804
Energy: 0.9372328553364317
Energy: 1.052772063837251
Energy: 0.9373959118023258
Energy: 1.173201746210357
Energy: 1.7167009890784475
Energy: 1.1662582936229346
Energy: 1.0238807726846992
Energy: 1.0391270366645615
Energy: 1.019519378626283
Energy: 1.1662524002490708
Energy: 1.9065510315310488
Energy: 1.1648437869465977
Energy: 1.0599126929341856
Energy: 1.0623312662667392
Energy: 1.0616893643655898
Energy: 1.1771897111721927
Energy: 1.7123692891990252
Energy: 1.061019273621474
Energy: 1.0604863547618621
Energy: 0.9360070625183731
Energy: 1.063058395706798
Energy: 1.162752454935334
Energy: 1.7127995885730554
Energy: 1.0611720105075162
Energy: 1.131159469637156
Energy: 1.1578416363252284
Energy: 1.0622889394645325
Energy: 1.1633958556164208
Energy: 1.9047125823198905
Energy: 1.176485668397379
Energy: 1.15658104775494
Energy: 1.1583263613054111
Energy: 1.180996911940093
Energy: 1.1766632925280731
Energy: 1.890764860099222
Energy: 1.1800506196897507
Energy: 1.178494409251022
Energy: 1.1768799398901704
Energy: 1.1816044355026964
Energy: 1.2106661729013783
Energy: 1.4205578513947892
Energy: 1.1765953322416582
Energy: 1.1912573616357345
Energy: 1.0764667065418356
Energy: 1.1772129778636695
Energy: 1.1856354657650212
Energy: 1.88858530951595
Energy: 1.2059415447917927
Energy: 1.176770194320205
Energy: 1.177419815241001
Energy: 1.2026895166452125
Energy: 1.1904462366576827
Energy: 1.7369630120173631
Energy: 1.1886725714473765
Energy: 1.1888212154764326
Energy: 1.1890501282734665
Energy: 1.188876713911482
Energy: 1.1888436317458313
Energy: 1.4196246386265021
Energy: 1.18880668670689
Energy: 1.1880724819562594
Energy: 1.2049054542530744
Energy: 1.1902936698455875
Energy: 1.1876628038146213
Energy: 1.4205244428228343
Energy: 1.188544299540433
Energy: 1.1888220556882525
Energy: 1.1875981463483882
Energy: 1.189330419970028
Energy: 1.1885053353294428
Energy: 1.588444549194988
Energy: 1.1786934085480685
Energy: 1.2035605142251666
Energy: 1.191212839884744
Energy: 1.1766731388666132
Energy: 1.1776761841230565
Energy: 1.2858389725846529
Energy: 1.1798169012062512
Energy: 1.1765576118247434
Energy: 1.1883265765920286
Energy: 1.1772518701672587
Energy: 1.1968707903936917
Energy: 1.148036767286305
Energy: 1.18010173668846
Energy: 1.190927341133832
Energy: 1.1892113912638518
Energy: 1.1995376952477041
Energy: 1.1870067675025773
Energy: 1.2860573730148122
Energy: 1.1574716748343403
Energy: 1.1779389353818879
Energy: 1.1879507964028169
Energy: 1.177849542620405
Energy: 1.1405180371220547
Energy: 1.285161427356282
Energy: 1.0597271537022237
Energy: 1.17640901905364
Energy: 1.1771098139667218
Energy: 1.0605980471150984
Energy: 1.15895674976929
Energy: 1.0488939526568681
Energy: 1.0615881721969147
Energy: 1.139378333494079
Energy: 1.1916316909882072
Energy: 1.1302836132770566
Energy: 1.0600038640868334
Energy: 1.0507760495395302
Energy: 1.0584900779501685
Energy: 1.1655621718343452
Energy: 1.176713464641472
Energy: 1.1314632528109962
Energy: 0.9364468962814143
Energy: 1.040108881762722
Energy: 0.9386311498693323
Energy: 1.019290297288244
Energy: 1.1795506839277166
Energy: 0.9369516307550844
Energy: 0.9361754495252335
Energy: 0.9334832558954251
Energy: 0.9356385422264285
Energy: 1.0596732940941194
Energy: 1.1809227158556705
Energy: 0.9363970311292372
Energy: 0.935174971619728
Energy: 0.9386226513519877
Energy: 0.9373948684079126
Energy: 1.1646901065192992
Energy: 1.1782986423591688
Energy: 0.9362783893232257
Energy: 0.9360927975850557
Energy: 0.9376638336848457
Energy: 1.0167149024896072
Energy: 1.1654193073135901
Energy: 1.179058215100629
Energy: 0.9366300224979225
Energy: 0.9370374087485903
Energy: 0.9349241330045125
Energy: 0.9353419834357298
Energy: 1.1630753425822995
Energy: 1.1641862635652522
Energy: 0.9357833840576822
Energy: 0.9354404516969476
Energy: 1.0402159211499447
Energy: 0.9364044282064317
Energy: 1.167785816388017
Energy: 1.1913445610537123
Energy: 0.9366872558117384
Energy: 1.0388885670913623
Energy: 1.0506247665756727
Energy: 1.0613373047268848
Energy: 1.1656997129413316
Energy: 1.1778169414546795
Energy: 1.1655797499997589
Energy: 1.0599849638695937
Energy: 1.0522968746264372
Energy: 1.0615906199771186
Energy: 1.061466018200495
Energy: 1.1865961775731675
Energy: 1.0611382035851196
Energy: 1.0611016882511421
Energy: 1.283754082239334
Energy: 1.061032104589391
Energy: 1.162456305299093
Energy: 1.1868426107615606
Energy: 1.0612349762597317
Energy: 1.0602922137611996
Energy: 1.2856765400923746
Energy: 1.1578306356953896
Energy: 1.1770352999172287
Energy: 1.1887356171534353
Energy: 1.177087246218678
Energy: 1.1557153844621268
Energy: 1.2858783977534236
Energy: 1.1790838041238796
Energy: 1.209213040030208
Energy: 1.1902597870765008
Energy: 1.202762699766651
Energy: 1.1767958295280316
Energy: 1.2857946756509457
Energy: 1.1774214467688193
Energy: 1.1856940159123417
Energy: 1.1875209088621408
Energy: 1.1777522272557697
Energy: 1.1560499262390358
Energy: 1.572977311017627
Energy: 1.181300849653206
Energy: 1.209638174121653
Energy: 1.1909710777475704
Energy: 1.1784865611069943
Energy: 1.1769566550500172
Energy: 1.572264610417716
Energy: 1.1885691079685805
Energy: 1.1884309199187169
Energy: 1.1875650820688146
Energy: 1.1888817507494882
Energy: 1.187587336074192
Energy: 1.5740851056898193
Energy: 1.1887483290838503
Energy: 1.1883164453019155
Energy: 1.1899789850954066
Energy: 1.189993345712449
Energy: 1.1876930961010874
Energy: 1.7372641091281429
Energy: 1.1885777818043646
Energy: 1.1878624086951253
Energy: 1.1903696612667125
Energy: 1.1906118548480196
Energy: 1.1884575865775429
Energy: 1.8759337850325812
Energy: 1.2044095580954763
Energy: 1.1768741910627656
Energy: 1.1774368589398012
Energy: 1.1765500730011982
Energy: 1.2072205649457213
Energy: 1.5690356751917454
Energy: 1.1768348788957435
Energy: 1.1568103016572053
Energy: 1.1587788024009646
Energy: 1.1771787312762758
Energy: 1.1877903092936195
Energy: 1.9080410049040528
Energy: 1.2184810859332447
Energy: 1.1772533119810369
Energy: 1.1746443335568066
Energy: 1.1850998690562775
Energy: 1.1905225897721492
Energy: 1.7376724650504698
Energy: 1.1769239952917216
Energy: 1.1561560566186542
Energy: 1.1573156372091378
Energy: 1.177881250066551
Energy: 1.176988633695201
Energy: 1.8692561470242166
Energy: 1.0607630527717478
Energy: 1.159114763641452
Energy: 1.1578861510556566
Energy: 1.0616041232014795
Energy: 1.1764600266621805
Energy: 1.868942026565479
Energy: 1.130113653165837
Energy: 1.0594743108526248
Energy: 1.062359823193115
Energy: 1.06097401759103
Energy: 1.1321901665424532
Energy: 1.9070153310440756
Energy: 1.1643414867601958
Energy: 1.0592357115789517
Energy: 0.9366544270893629
Energy: 1.0608570952237724
Energy: 1.1769143508917466
Energy: 1.8658390760045371
Energy: 1.0614285611411562
Energy: 0.9367002895802456
Energy: 1.0379180662287377
Energy: 0.9367424197521559
Energy: 1.1672520140184879
Energy: 1.863532286674364
Energy: 0.9356415203922631
Energy: 0.935391694585388
Energy: 0.9354367050431699
Energy: 0.936480570044288
Energy: 1.1773132279592253
Energy: 1.8746236271691976
Energy: 1.166368291506639
Energy: 0.9369776450346183
Energy: 0.9372475793779121
Energy: 1.0164902640932358
Energy: 1.1652209815980228
Energy: 1.8920247859304637
Energy: 1.1652956702399335
Energy: 0.936951247618325
Energy: 0.9366837869700365
Energy: 1.016371036532152
Energy: 1.1647776053730974
Energy: 2.0185889080561887
Energy: 0.9365700790586069
Energy: 0.9354120143626546
Energy: 0.9340940100562128
Energy: 0.935769637795695
Energy: 1.1633106285795336

minimum gb energy = 0.9327736394275804 eV
minimum distance =  2.26019737295124 Angstroms
sigma value = 67


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

Energy: 0.3173276450721276
Energy: 0.28875770119995364
Energy: 0.4300796731081174
Energy: 0.4305885238424633
Energy: 0.43079902557426614
Energy: 0.2888609211797889
Energy: 0.2742222706886736
Energy: 0.4294343097441135
Energy: 0.4158419619194227
Energy: 0.41602326597546924
Energy: 0.4179574918570501
Energy: 0.4296288719950529
Energy: 1.6026265009614917
Energy: 0.4156793332696591
Energy: 0.41535518728063625
Energy: 0.4159641746553797
Energy: 0.4148316236044639
Energy: 0.4152965528982204
Energy: 0.274833846607155
Energy: 0.4148694599369855
Energy: 0.41535536965944064
Energy: 0.4302426301255093
Energy: 0.4140831265318858
Energy: 0.2741134335621184
Energy: 0.2739553165629933
Energy: 0.4144390614810325
Energy: 0.4149182314704082
Energy: 0.4153626690621629
Energy: 0.41352513713416894
Energy: 0.27393268370722046
Energy: 1.602505327016905
Energy: 0.41514233034012993
Energy: 0.4154723527219079
Energy: 0.43053089376784637
Energy: 0.41489639049090304
Energy: 0.4149792194895947
Energy: 0.27404756664451585
Energy: 0.41603545625758276
Energy: 0.415740562947212
Energy: 0.41591385628689537
Energy: 0.41587798312084834
Energy: 0.41590645525675773

minimum gb energy = 0.27393268370722046 eV
minimum distance =  2.43430128008182 Angstroms
sigma value = 3


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

Energy: 2.0938798611476943
Energy: 1.0679602094092724
Energy: 0.917578394472437
Energy: 0.9119971468562137
Energy: 0.8970821924369902
Energy: 1.1506812398807218
Energy: 1.7115136562201814
Energy: 0.9660709375836134
Energy: 0.901386165142514
Energy: 0.9050586360239687
Energy: 0.9015864886970698
Energy: 1.1481363265483002
Energy: 1.709722448903438
Energy: 1.1146128948654057
Energy: 0.9113279770653762
Energy: 0.914665066969121
Energy: 0.9113611622872525
Energy: 1.0616137287918994
Energy: 1.7320754426399654
Energy: 1.0131272410195067
Energy: 0.9039648562832913
Energy: 0.9059330060590949
Energy: 0.9010838513161291
Energy: 1.1219850777462055
Energy: 1.7317191755802208
Energy: 1.0129604813559427
Energy: 1.0157770771436265
Energy: 1.0287023418639967
Energy: 1.0157134464087885
Energy: 1.0164295496789428
Energy: 1.7096959510838037
Energy: 1.0628859171036078
Energy: 0.9044521962292681
Energy: 1.029142477195495
Energy: 1.015889669697665
Energy: 1.1349294240485586
Energy: 1.7018317332843425
Energy: 1.0816245483126794
Energy: 1.0161696725654388
Energy: 1.0242736122953362
Energy: 1.027788941155835
Energy: 1.1344902453743364
Energy: 1.7232800299009106
Energy: 1.13470930622021
Energy: 1.1338619331273774
Energy: 1.0256941627198666
Energy: 1.1337711615880701
Energy: 1.1556176843926578
Energy: 1.6987721259289423
Energy: 1.0304064033951748
Energy: 1.031929896317585
Energy: 1.1454766426728584
Energy: 1.0311005869367136
Energy: 1.0824888364505383
Energy: 1.7108305240073496
Energy: 1.1620867586566115
Energy: 1.135353302752499
Energy: 1.1497044620482078
Energy: 1.1334533448431687
Energy: 1.1620427352157883
Energy: 1.6461924197551348
Energy: 1.160554599223181
Energy: 1.1673467175534142
Energy: 1.030952135039134
Energy: 1.1618245585196232
Energy: 1.1608798786359498
Energy: 1.6443665332494595
Energy: 1.1606235020201905
Energy: 1.1638580663946498
Energy: 1.1703782408999197
Energy: 1.160734105302644
Energy: 1.1609669904120745
Energy: 1.6903782465982604
Energy: 1.161161916640035
Energy: 1.1650074489181759
Energy: 1.1579194012953022
Energy: 1.163407794081771
Energy: 1.1732297321203178
Energy: 1.688506300400388
Energy: 1.1683915969175782
Energy: 1.1606688111704364
Energy: 1.1625534103506465
Energy: 1.1712160451375315
Energy: 1.1686539551140194
Energy: 1.614749814360887
Energy: 1.1687585562778782
Energy: 1.1930224022845959
Energy: 1.165808894185154
Energy: 1.168492096289994
Energy: 1.1720154653150492
Energy: 1.5538729846798487
Energy: 1.1814652616259955
Energy: 1.169193275705727
Energy: 1.1680762749206657
Energy: 1.168038519683562
Energy: 1.169829656205767
Energy: 1.5519623027760503
Energy: 1.158435093738841
Energy: 1.1683258971163293
Energy: 1.1927847006699963
Energy: 1.171139965302795
Energy: 1.158748804629099
Energy: 1.5508839642799306
Energy: 1.163055819172636
Energy: 1.1582708924688265
Energy: 1.1778207895661739
Energy: 1.1587978909904728
Energy: 1.1143184300121662
Energy: 1.5505585878195387
Energy: 1.1578464670517568
Energy: 1.1585632475184335
Energy: 1.1631138428050214
Energy: 1.1582604183559604
Energy: 1.1596074362938391
Energy: 1.2876459713978647
Energy: 1.1141557629536265
Energy: 1.1581961848999747
Energy: 1.1628136303171153
Energy: 1.1580586883132873
Energy: 1.0984191705354651
Energy: 1.2866285212185398
Energy: 1.0969987708305966
Energy: 1.1800516715438547
Energy: 1.1677558768159717
Energy: 1.0944322088903313
Energy: 1.0968070096467382
Energy: 1.286998700124021
Energy: 1.0970355625375132
Energy: 1.1577827656602164
Energy: 1.1740913548411671
Energy: 1.097471978501638
Energy: 1.1016893824872807
Energy: 1.0860653610312405
Energy: 1.0995560118758576
Energy: 1.143234661264965
Energy: 1.1651442210066045
Energy: 1.0977798870301507
Energy: 1.101356840455578
Energy: 1.0892226920784134
Energy: 1.078070413123655
Energy: 1.1484574739673759
Energy: 1.1416897624604847
Energy: 1.0970902833347438
Energy: 1.015148223826859
Energy: 1.0888625363616269
Energy: 0.8976651279698257
Energy: 0.9511152649447702
Energy: 1.1668640175719989
Energy: 0.8959735008178144
Energy: 0.8960139139845421
Energy: 1.0750925238643212
Energy: 1.0567857801582368
Energy: 1.1095587201992392
Energy: 1.1475583824869864
Energy: 1.1089468266039317
Energy: 1.0609634808619126
Energy: 0.9523635129244269
Energy: 0.94723960600994
Energy: 1.109522800412709
Energy: 1.1477843621371266
Energy: 1.1089698595667312
Energy: 0.947403284873835
Energy: 0.9701395045405479
Energy: 0.9048554836676834
Energy: 1.1102047855584376
Energy: 1.1645922603354435
Energy: 0.9024010838810544
Energy: 0.9090466479213821
Energy: 0.9714388163832802
Energy: 0.9702660098949787
Energy: 1.1488506684875028
Energy: 1.1694562947895109
Energy: 0.9752277158499951
Energy: 0.9086352451010732
Energy: 1.0449522411797478
Energy: 0.9751645658373339
Energy: 1.1226972847083714
Energy: 1.1558353209605126
Energy: 0.9721535512252448
Energy: 0.9787848208289041
Energy: 1.0440228260271283
Energy: 0.975095039690835
Energy: 1.1473884253274789
Energy: 1.1662313963605229
Energy: 0.9793061927870562
Energy: 0.9758102897535721
Energy: 1.0365503910704728
Energy: 0.9780327281939153
Energy: 1.1535311092061449
Energy: 1.1671216248352927
Energy: 0.9660020162415819
Energy: 0.9782135493576863
Energy: 1.0272708637722463
Energy: 0.9775771517121326
Energy: 1.1311936083017602
Energy: 1.1672525564492695
Energy: 1.130947252087408
Energy: 0.9773406862041295
Energy: 1.2782173756418027
Energy: 1.1349738540443821
Energy: 1.1310370675150203
Energy: 1.1512576830705796
Energy: 1.1310005704057107
Energy: 1.132104493757679
Energy: 1.2827024848529536
Energy: 1.1321230709055832
Energy: 1.1316417728770292
Energy: 1.1866643922555886
Energy: 1.1313882210386808
Energy: 1.1339940158379502
Energy: 1.2823184590566212
Energy: 1.1599891451476652
Energy: 1.1601645852589824
Energy: 1.1875352101697059
Energy: 1.1600778455339398
Energy: 1.1461246948165689
Energy: 1.4346741486030186
Energy: 1.1652480370682168
Energy: 1.1611986484771897
Energy: 1.168000493909756
Energy: 1.1604685221858835
Energy: 1.1614145995164349
Energy: 1.4780423254549815
Energy: 1.1596886917023062
Energy: 1.1618828613350196
Energy: 1.1674241301402932
Energy: 1.1864055194284655
Energy: 1.1671449414688522
Energy: 1.555566094628575
Energy: 1.1625301491773063
Energy: 1.1693360202648038
Energy: 1.17062481675346
Energy: 1.1725651248892557
Energy: 1.160382048104563
Energy: 1.5655428820427746
Energy: 1.1692730756647804
Energy: 1.1690775982140114
Energy: 1.1654155161575315
Energy: 1.174060124762423
Energy: 1.169443004304611
Energy: 1.6405056223653303
Energy: 1.168997834301987
Energy: 1.1693662712069164
Energy: 1.1692110631349155
Energy: 1.1710187731221384
Energy: 1.1692632866442563
Energy: 1.6410192087772408
Energy: 1.168924909406548
Energy: 1.1690109661025607
Energy: 1.1656398893968276
Energy: 1.1716584949332352
Energy: 1.1688262557296123
Energy: 1.6923457456804765
Energy: 1.17855770906616
Energy: 1.1625510670957722
Energy: 1.1630482692731674
Energy: 1.1618766052775356
Energy: 1.1701809410067736
Energy: 1.6997918042148568
Energy: 1.1612677304893415
Energy: 1.1650550734954634
Energy: 1.10571576732565
Energy: 1.166042352543814
Energy: 1.1727847339204058
Energy: 1.7641613391427808
Energy: 1.1622278550593501
Energy: 1.1618258058775275
Energy: 1.1631713153669239
Energy: 1.1604661519770623
Energy: 1.1650306655345377
Energy: 1.699222491602744
Energy: 1.1611209279212145
Energy: 1.1478006296217012
Energy: 1.1591235140309404
Energy: 1.178561972013182
Energy: 1.1612931098973656
Energy: 1.6917413410236641
Energy: 1.082987403697679
Energy: 1.0326592786687605
Energy: 1.0286044662637266
Energy: 1.1340354929270848
Energy: 1.1515177817850175
Energy: 1.8459939887376002
Energy: 1.1336823403408025
Energy: 1.1348798472247787
Energy: 1.1491849730274122
Energy: 1.133301256451772
Energy: 1.0917777262558614
Energy: 1.7364024316483329
Energy: 1.1335131457985685
Energy: 1.01865847920419
Energy: 1.0267709458499559
Energy: 1.0300343667279097
Energy: 1.0915804910894336
Energy: 1.7097799400518559
Energy: 1.1152452810493632
Energy: 1.013144385872491
Energy: 1.020869288009907
Energy: 1.0130027944857414
Energy: 1.1479812126976543
Energy: 1.7180243001036732
Energy: 1.0174932293986267
Energy: 1.0132300157178027
Energy: 1.0248924632279772
Energy: 0.9009211125015446
Energy: 1.0364825465179544

minimum gb energy = 0.8959735008178144 eV
minimum distance =  2.24851025136851 Angstroms
sigma value = 81


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

Energy: 2.2869208413948408
Energy: 1.2361518048257467
Energy: 1.0204440621025301
Energy: 1.0195896050128561
Energy: 1.0208237464679715
Energy: 1.3369702847934277
Energy: 1.8123411128361702
Energy: 1.0326509780599888
Energy: 1.0177789460836792
Energy: 1.0176860722361183
Energy: 1.017995780886933
Energy: 1.3222567184983414
Energy: 1.5609732401849985
Energy: 1.0135486594169902
Energy: 1.0269925434216576
Energy: 1.028767744990275
Energy: 1.025072968080964
Energy: 1.332632125798721
Energy: 1.6561960988464972
Energy: 1.1686963803888533
Energy: 1.01919934653627
Energy: 1.0218203322893027
Energy: 1.019444560026237
Energy: 1.3057243508974012
Energy: 1.656133787635023
Energy: 1.1686964325506388
Energy: 1.1689651796012117
Energy: 1.1897353117688807
Energy: 1.168427747766091
Energy: 1.3059233619116077
Energy: 1.5518838542582287
Energy: 1.3031129748138706
Energy: 1.0212642765383393
Energy: 1.0245909961495347
Energy: 1.0192735813112406
Energy: 1.338925851927474
Energy: 1.6924058772564077
Energy: 1.3200633604667456
Energy: 1.1716259889388059
Energy: 1.0215170486855945
Energy: 1.1798291724250813
Energy: 1.3203374573420288
Energy: 1.625417726922612
Energy: 1.3215754352727505
Energy: 1.3443087329831014
Energy: 1.205082175453661
Energy: 1.3449795040899153
Energy: 1.3332468213618844
Energy: 1.6936572396002698
Energy: 1.3395384197224787
Energy: 1.320493519137845
Energy: 1.08383793247054
Energy: 1.3207325502582012
Energy: 1.3215216516176513
Energy: 1.5512025447423932
Energy: 1.3367343475901516
Energy: 1.3204481803147345
Energy: 1.1917424168400934
Energy: 1.3199357327447385
Energy: 1.3385489506583588
Energy: 1.6257020370140316
Energy: 1.3357537901323735
Energy: 1.348032438509994
Energy: 1.3538174975281407
Energy: 1.3361375654098138
Energy: 1.2897089869410336
Energy: 1.5589406569132112
Energy: 1.3376401374301974
Energy: 1.3353333369632365
Energy: 1.3437479743897671
Energy: 1.337698267999133
Energy: 1.3374929649216836
Energy: 1.3957943607094172
Energy: 1.2899493116305998
Energy: 1.3356556755178504
Energy: 1.330783938141894
Energy: 1.3385707457987681
Energy: 1.268767064339197
Energy: 1.5543632090679969
Energy: 1.2682364914188597
Energy: 1.3374115826930486
Energy: 1.3266515252859976
Energy: 1.2682426905217894
Energy: 1.2683401893475197
Energy: 1.5558370614630217
Energy: 1.2685217062298726
Energy: 1.3293541507062698
Energy: 1.2356190696702025
Energy: 1.267206999795214
Energy: 1.2719573984673476
Energy: 1.3464896963665476
Energy: 1.2709886369138463
Energy: 1.3246937908053245
Energy: 1.3411732311082465
Energy: 1.2694300700907266
Energy: 1.2856264897801115
Energy: 1.2698588429611528
Energy: 1.0039168973523507
Energy: 1.2682742442206074
Energy: 1.3621485455972204
Energy: 1.268021392637449
Energy: 1.0208156153600303
Energy: 1.2682450768320408
Energy: 1.1566651681987712
Energy: 1.2927867444542511
Energy: 1.3302422468876856
Energy: 1.1564561251785848
Energy: 1.0055322024715356
Energy: 1.2596574327322094
Energy: 1.2236530513163058
Energy: 1.2914080454505414
Energy: 1.3251321519434307
Energy: 1.290320023769404
Energy: 1.2245606946743983
Energy: 1.0915118617437127
Energy: 1.0808111009978005
Energy: 1.2904626456080668
Energy: 1.3253653202537934
Energy: 1.2902801293130632
Energy: 1.0807934281768374
Energy: 1.1092496834156107
Energy: 1.0119727498033873
Energy: 1.2927535923007345
Energy: 1.3424246655978531
Energy: 1.0121579239122747
Energy: 1.0114027599865354
Energy: 1.1088759209834618
Energy: 1.103914470302859
Energy: 1.315131520440907
Energy: 1.3623135519139342
Energy: 1.1071524848348484
Energy: 1.0203181261941505
Energy: 1.1016798620897321
Energy: 1.1087287888034367
Energy: 1.3262407659053779
Energy: 1.3434684802625032
Energy: 1.1090545413977195
Energy: 1.1092306165399295
Energy: 1.200414475653234
Energy: 1.1100054160996622
Energy: 1.3149506684779046
Energy: 1.344029407374221
Energy: 1.1095021629114876
Energy: 1.1105508754301134
Energy: 1.1996675104611063
Energy: 1.112870582102702
Energy: 1.3433350759993754
Energy: 1.3363444664511586
Energy: 1.1131817254460925
Energy: 1.113106045305417
Energy: 1.1953265028534423
Energy: 1.1298503816165837
Energy: 1.3180551140318495
Energy: 1.3399970856848318
Energy: 1.3178082877655433
Energy: 1.1108000544708745
Energy: 1.540759349643502
Energy: 1.3198275328224378
Energy: 1.3182691494806715
Energy: 1.336820220366755
Energy: 1.3181769387490714
Energy: 1.3214556355230176
Energy: 1.4382506590170394
Energy: 1.3180103111637578
Energy: 1.3191329349064778
Energy: 1.3745418727299163
Energy: 1.3189994854005338
Energy: 1.1296267641544893
Energy: 1.5405089240900511
Energy: 1.318232967401437
Energy: 1.337997261770934
Energy: 1.3560994502693855
Energy: 1.338380366578981
Energy: 1.3197096651335167
Energy: 1.4894819528032854
Energy: 1.3591727647129361
Energy: 1.3431316709069994
Energy: 1.0088658310623004
Energy: 1.338253707265257
Energy: 1.3379177580119306
Energy: 1.458212556019243
Energy: 1.338845302965115
Energy: 1.3371613539013631
Energy: 1.4115944645687624
Energy: 1.3417427590649367
Energy: 1.3446057011042172
Energy: 1.6723108601302414
Energy: 1.33813200624048
Energy: 1.3283324625956057
Energy: 1.1942032305022674
Energy: 1.3433314856362484
Energy: 1.341773055041647
Energy: 1.5520330217189788
Energy: 1.3206209547906342
Energy: 1.3211027137898832
Energy: 1.1673963546717963
Energy: 1.3207400030934335
Energy: 1.3387732395402392
Energy: 1.4518279383772865
Energy: 1.3201412424740557
Energy: 1.326858917944013
Energy: 1.1851683940920692
Energy: 1.3217737750092071
Energy: 1.3234033105672516
Energy: 1.6368228796291888
Energy: 1.3205704459801524
Energy: 1.1989610754065936
Energy: 1.0197608303215313
Energy: 1.1937313569367407
Energy: 1.3236326387357076
Energy: 1.5611546512088732
Energy: 1.27846685010423
Energy: 1.1663802646170673
Energy: 1.1817443206359164
Energy: 1.1658880342201254
Energy: 1.3395169683013157
Energy: 1.571528772737373
Energy: 1.01276468565199
Energy: 1.0182281877428092
Energy: 1.0191940953995957
Energy: 1.0185399354425435
Energy: 1.339334234841174
Energy: 1.659536973554174
Energy: 1.1663368985067284
Energy: 1.1667180403805069
Energy: 1.0215595364052052
Energy: 1.166816008788685
Energy: 1.324605319230864

minimum gb energy = 1.0039168973523507 eV
minimum distance =  2.29060770249786 Angstroms
sigma value = 43


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

Energy: 2.0521699915371383
Energy: 1.1095372086511046
Energy: 1.093148894114928
Energy: 1.0931432134742483
Energy: 1.0932495099533208
Energy: 1.470520256327976
Energy: 1.5242071272878799
Energy: 1.092461521794858
Energy: 1.0927029588132389
Energy: 1.0926780430896286
Energy: 1.0927786144047844
Energy: 1.4471302029744586
Energy: 1.5354491177876448
Energy: 1.0923191824411995
Energy: 1.103606321188025
Energy: 1.1039275554964005
Energy: 1.105697961525511
Energy: 1.4338820072602942
Energy: 1.557532913878601
Energy: 1.092533982035727
Energy: 1.0919293563819203
Energy: 1.0917657042729763
Energy: 1.0921558394609356
Energy: 1.4423127805181892
Energy: 1.5572223894774124
Energy: 1.274557302578571
Energy: 1.273578859388301
Energy: 1.0923665826272047
Energy: 1.2750061064924518
Energy: 1.4422703940990365
Energy: 1.5340399934921785
Energy: 1.2761389626639017
Energy: 1.0919115715062315
Energy: 1.0919788669259118
Energy: 1.0920782358004606
Energy: 1.4795598360435804
Energy: 1.5643888473598253
Energy: 1.4470531119811167
Energy: 1.2733983232078459
Energy: 1.0925867903929385
Energy: 1.2728683033861918
Energy: 1.4586325075397548
Energy: 1.5253764604692688
Energy: 1.4464243351708663
Energy: 1.4683832413276157
Energy: 1.3267115991529896
Energy: 1.4520489576999553
Energy: 1.45470237433953
Energy: 1.5384696651742842
Energy: 1.4706590582230445
Energy: 1.452781878178908
Energy: 1.0839808339893733
Energy: 1.4471839268700728
Energy: 1.4468514248548576
Energy: 1.5367861668845022
Energy: 1.4474270842842698
Energy: 1.452318284033317
Energy: 1.3052698129496545
Energy: 1.4523272785112054
Energy: 1.451165426512696
Energy: 1.5399390399767081
Energy: 1.446565913476013
Energy: 1.4769147944598882
Energy: 1.0917664275962509
Energy: 1.4578460020384896
Energy: 1.4355376096536
Energy: 1.5360515071457643
Energy: 1.4510266336715185
Energy: 1.4581203559283598
Energy: 1.4530764727503591
Energy: 1.457859205117074
Energy: 1.3050894118123202
Energy: 1.3028872067000878
Energy: 1.3056865781176308
Energy: 1.4581054814447814
Energy: 1.4252641778061976
Energy: 1.4467011340166482
Energy: 1.092569261428327
Energy: 1.3043451494439866
Energy: 1.2721010938421449
Energy: 1.4829740910237543
Energy: 1.0925869466695726
Energy: 1.4356280721028571
Energy: 1.0931573888887012
Energy: 1.3080208211499063
Energy: 1.0923826549227138
Energy: 1.434120070734587
Energy: 1.3053624400797867
Energy: 1.0928136428884445
Energy: 1.0920453652024176
Energy: 1.0936003838427983
Energy: 1.2729234614769187
Energy: 1.4250991884208497
Energy: 1.423244591984249
Energy: 1.2721943735631658
Energy: 1.1015048222468091
Energy: 1.093097696977004
Energy: 1.0922445315340805
Energy: 1.4351496831207657
Energy: 1.2676918587215817
Energy: 1.2759038412974424
Energy: 1.09216627248843
Energy: 1.1031115382837207
Energy: 1.102826793352873
Energy: 1.4333856115966002
Energy: 1.3058554143191736
Energy: 1.0921512817811487
Energy: 1.10292580516828
Energy: 1.0914210479501967
Energy: 1.0919773186343609
Energy: 1.2749974512528994
Energy: 1.4960475218930755
Energy: 1.2743270723973321
Energy: 1.0919165129338837
Energy: 1.0937953715117381
Energy: 1.0926875259784867
Energy: 1.2742301479068818
Energy: 1.451090380047149
Energy: 1.272539073168685
Energy: 1.0917278461245619
Energy: 1.307566475179054
Energy: 1.0921402786560126
Energy: 1.4334532593454934
Energy: 1.305825085675237
Energy: 1.092564587569409
Energy: 1.0934881989653105
Energy: 1.2984065170929142
Energy: 1.2725808146600313
Energy: 1.458050474055076
Energy: 1.3105732313074399
Energy: 1.4476430590195917
Energy: 1.2733915876211161
Energy: 1.3009243253717353
Energy: 1.306298966301948
Energy: 1.4684162759740635
Energy: 1.268879019999297
Energy: 1.3267194748774287
Energy: 1.30506713847563
Energy: 1.5095396505193162
Energy: 1.4471322238913655
Energy: 1.4496883557887799
Energy: 1.3341203912622297
Energy: 1.4551516381642182
Energy: 1.2735246409642613
Energy: 1.5357389322048987
Energy: 1.4458494605747807
Energy: 1.4529577808290326
Energy: 1.3119088581116343
Energy: 1.4574806610156295
Energy: 1.3039677686210565
Energy: 1.5318886653426438
Energy: 1.4575119968560177
Energy: 1.451091189251184
Energy: 1.2736609384654873
Energy: 1.4468696175190057
Energy: 1.3049798233351582
Energy: 1.5093567370890286
Energy: 1.4584847383776325
Energy: 1.4516652435203181
Energy: 1.092146068248471
Energy: 1.4512974857749201
Energy: 1.4588468726744428
Energy: 1.5084647403871916
Energy: 1.4472819975343956
Energy: 1.305646973483013
Energy: 1.0927301653966033
Energy: 1.3056949928416828
Energy: 1.4242253750639975
Energy: 1.5362672563281339
Energy: 1.448915794975132
Energy: 1.2717042385470474
Energy: 1.0921422948493669
Energy: 1.2720464759549739
Energy: 1.482730075392061
Energy: 1.563356210264771
Energy: 1.433671103202548
Energy: 1.0929776347308355
Energy: 1.0921729748314228
Energy: 1.092876971753041
Energy: 1.4349570733986718
Energy: 1.5074156371637337
Energy: 1.2714997265243249
Energy: 1.2735024305607912
Energy: 1.0930917712388593
Energy: 1.2720744867636227
Energy: 1.425607328425935

minimum gb energy = 1.0839808339893733 eV
minimum distance =  2.27765282102606 Angstroms
sigma value = 57


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

Energy: 1.816424999341952
Energy: 1.221545606101432
Energy: 1.208265282876849
Energy: 1.2011062509230808
Energy: 1.2078525964938442
Energy: 1.2215692872644945
Energy: 1.1946103002774435
Energy: 1.4310728421806067
Energy: 1.197877680720213
Energy: 1.198114004708346
Energy: 1.1976946733179297
Energy: 1.6202861367442818
Energy: 1.4867085859587668
Energy: 1.4499552551796526
Energy: 1.2102436555594132
Energy: 1.2088451701507466
Energy: 1.2111712226239464
Energy: 1.6194370413920123
Energy: 1.4786645725153715
Energy: 1.42963787949318
Energy: 1.199336310069108
Energy: 1.1991953096929613
Energy: 1.1990537070891332
Energy: 1.4398707734853153
Energy: 1.479015703683686
Energy: 1.429488993053119
Energy: 1.1988511635267796
Energy: 1.1959955132848745
Energy: 1.4237568317281253
Energy: 1.4396815918035906
Energy: 1.4888839295038163
Energy: 1.4319324619253395
Energy: 1.4244619344908662
Energy: 1.198320435593112
Energy: 1.4253406381124794
Energy: 1.4645367528222353
Energy: 1.1953200524807555
Energy: 1.618516088593052
Energy: 1.2015322928436718
Energy: 1.198255606250084
Energy: 1.4273802793034844
Energy: 1.4428163440806714
Energy: 1.479170242803061
Energy: 1.6187064868024048
Energy: 1.4660567803388704
Energy: 1.1970475095498008
Energy: 1.4705208696233
Energy: 1.619550614832132
Energy: 1.197619429733603
Energy: 1.4452655996854096
Energy: 1.614068349714602
Energy: 1.1916127770768519
Energy: 1.6191001215536018
Energy: 1.451608070513595
Energy: 1.4843835703747286
Energy: 1.4250453713716178
Energy: 1.6183691321499538
Energy: 1.1930327350045258
Energy: 1.6194605775685558
Energy: 1.199275536727692
Energy: 1.4884068324095057
Energy: 1.4301641360389212
Energy: 1.6368619976297547
Energy: 1.2007351417079135
Energy: 1.429005051708924
Energy: 1.198172694866315
Energy: 1.4873059833913556
Energy: 1.4244522445575831
Energy: 1.4295297407801233
Energy: 1.4509199591169897
Energy: 1.4295009242977683
Energy: 1.198573324175044
Energy: 1.2004470842360797
Energy: 1.1992792334511349
Energy: 1.6145382291719488
Energy: 1.614446007004357
Energy: 1.42859831480855
Energy: 1.1999031762519041
Energy: 1.2006382217565321
Energy: 1.2082435132434328
Energy: 1.6233203103097265
Energy: 1.207945333791966
Energy: 1.209628008077555
Energy: 1.213283187178229
Energy: 1.2003132226848527
Energy: 1.1991039247474533
Energy: 1.4493315809288816
Energy: 1.1993611834686246
Energy: 1.433006322537664
Energy: 1.1990622664517545
Energy: 1.202815536566815
Energy: 1.2004672911318175
Energy: 1.6162683280690036
Energy: 1.4398062068944342
Energy: 1.2021289119074492
Energy: 1.2016936754808114
Energy: 1.4880938306918972
Energy: 1.4251415443583608
Energy: 1.4328084938083503
Energy: 1.2007551966259555
Energy: 1.4306680253244333
Energy: 1.2015155968660949
Energy: 1.4890866136067207
Energy: 1.4296096688045001
Energy: 1.4635823273009687
Energy: 1.2003267106978894
Energy: 1.4296281473644017
Energy: 1.1999342035557419
Energy: 1.2069023725958545
Energy: 1.4254960749015573
Energy: 1.6184818327354895
Energy: 1.443189413826519
Energy: 1.6187553280712332
Energy: 1.2000116527811244
Energy: 1.195193558846952
Energy: 1.4430949496414458
Energy: 1.6182951088390234
Energy: 1.4429000077253857
Energy: 1.619503155149734
Energy: 1.4454562266383362
Energy: 1.7706527301815824
Energy: 1.6184522920220312
Energy: 1.442540029779692
Energy: 1.2070754763752456
Energy: 1.4431402581575123
Energy: 1.191064842845304
Energy: 1.483945338384016
Energy: 1.6194712217160703
Energy: 1.4249678142576405
Energy: 1.1991281159847798
Energy: 1.4292334305953336
Energy: 1.4430448520645973
Energy: 1.2062368370943017
Energy: 1.6210183048029432
Energy: 1.4300014102970793
Energy: 1.1985212807501222
Energy: 1.1997466337227194
Energy: 1.619499586582356
Energy: 1.191048981834314
Energy: 1.4296478956694325
Energy: 1.1988154434066993
Energy: 1.1967667326096552
Energy: 1.201279037475547
Energy: 1.6145814243884091

minimum gb energy = 1.191048981834314 eV
minimum distance =  2.27115761909797 Angstroms
sigma value = 17


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

Energy: 2.411805939041183
Energy: 1.8373290875780537
Energy: 1.3544912135214606
Energy: 1.337880060440907
Energy: 1.6117705851035358
Energy: 1.8362819713095857
Energy: 1.3191642783913697
Energy: 1.6242456581471765
Energy: 1.3286602947517026
Energy: 1.3275322187849266
Energy: 1.328086718918959
Energy: 1.3334864598990455
Energy: 1.3345458518975353
Energy: 1.623688558456501
Energy: 1.3274886270830615
Energy: 1.330028810838001
Energy: 1.335255672558956
Energy: 1.612630499837976
Energy: 1.323472567549621
Energy: 1.6105591564976505
Energy: 1.3332756460431388
Energy: 1.3365515137258746
Energy: 1.3322511305377145
Energy: 1.6279900451558251
Energy: 1.323485167633363
Energy: 1.6281989954632048
Energy: 1.3329982335157364
Energy: 1.3365068470499104
Energy: 1.6086882225309822
Energy: 1.4289636979237077
Energy: 1.3538091157090757
Energy: 1.425816345057042
Energy: 1.6224839306706442
Energy: 1.3147895790556388
Energy: 1.623746970043496
Energy: 1.6141151877848174
Energy: 1.335122960301455
Energy: 1.3325547091832466
Energy: 1.610084350362188
Energy: 1.3347854827869825
Energy: 1.6106724304525561
Energy: 1.3323151865410647
Energy: 1.3346356618227058
Energy: 1.6225451122256074
Energy: 1.613178931814716
Energy: 1.3340643015528724
Energy: 1.6287441385238077
Energy: 1.3331925989102804
Energy: 1.3347734490661027
Energy: 1.6127637465190752
Energy: 1.8373686510706038
Energy: 1.3199662969376402
Energy: 1.610603782467974
Energy: 1.3542997580137477
Energy: 1.3291255442614782
Energy: 1.3302014466010281
Energy: 1.4283433456405692
Energy: 1.3206439344983718
Energy: 1.3315425994447467
Energy: 1.3303172750714396
Energy: 1.3283630895422842
Energy: 1.3366424749548995
Energy: 1.6226835517876663
Energy: 1.3538069772704402
Energy: 1.3337722874062337
Energy: 1.336492709731704
Energy: 1.3301155564873401
Energy: 1.3318165805478013
Energy: 1.4285902699222985
Energy: 1.3050978406121134
Energy: 1.6093923764946985
Energy: 1.331910137076546
Energy: 1.3354412082233125
Energy: 1.6101794224528965
Energy: 1.6108892887927508
Energy: 1.3045352632148617
Energy: 1.610438941191582
Energy: 1.3540580148325154
Energy: 1.3158039992799557
Energy: 1.625125430342066
Energy: 1.4259922542223649
Energy: 1.3543001946190498
Energy: 1.624057828215039
Energy: 1.3141262864626557
Energy: 1.3361675919093186
Energy: 1.607017947614603
Energy: 1.3324524186216602
Energy: 1.3346044077439472
Energy: 1.426697529413957
Energy: 1.3326606790242472
Energy: 1.353521270978595
Energy: 1.4256181554094698
Energy: 1.6246888309787866
Energy: 1.3298364847457704
Energy: 1.624237238579326
Energy: 1.3537858677255914
Energy: 1.3199524006684287
Energy: 1.6291437420637152
Energy: 1.3330061201068653
Energy: 1.3359245535980342
Energy: 1.6061208536958713
Energy: 1.3205167827068747

minimum gb energy = 1.3045352632148617 eV
minimum distance =  2.27759515946899 Angstroms
sigma value = 17


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

Energy: 1.7975229043945782
Energy: 1.3717637713679318
Energy: 1.3872337889968767
Energy: 1.6048956900689713
Energy: 1.4091311855442186
Energy: 1.9596414747305495
Energy: 1.4213891704673602
Energy: 1.5729922864079278
Energy: 1.3822954149807039
Energy: 1.382553970122159
Energy: 1.38209101913338
Energy: 1.7435171843326651
Energy: 1.3859101431406264
Energy: 1.5756519165957863
Energy: 1.3876371051020804
Energy: 1.3857459972057575
Energy: 1.3865051302349276
Energy: 1.3621387324057568
Energy: 1.9670440782972443
Energy: 1.7839843302210339
Energy: 1.3957509009012825
Energy: 1.3859340211619806
Energy: 1.3857332303409347
Energy: 1.5805540783557301
Energy: 1.456719249561101
Energy: 1.7161462378784964
Energy: 1.5751478313490865
Energy: 1.3859998839167234
Energy: 1.7814370966882522
Energy: 1.579853218819485
Energy: 1.393680414156256
Energy: 1.3921758928087111
Energy: 1.8661448907143043
Energy: 1.3486977339567214
Energy: 1.7832188953282002
Energy: 1.3876913900091563
Energy: 1.3931790285082633
Energy: 1.3878792842476537
Energy: 1.5739975819856644
Energy: 1.3864658979589113
Energy: 1.3837768078758206
Energy: 1.3874753153824226
Energy: 1.3838520470307527
Energy: 1.3824121445661781
Energy: 1.5785273555493022
Energy: 1.4040357573497049
Energy: 1.3838115608189427
Energy: 1.3827401879106322
Energy: 1.384216534537244
Energy: 1.3857282144538332
Energy: 1.3523377937572185
Energy: 1.3804797596422838
Energy: 1.3857040464702572
Energy: 1.384027300599309
Energy: 1.5988274843067434
Energy: 1.3820028732853507
Energy: 1.5717194331645343
Energy: 1.4494716960258764
Energy: 1.5707392536711606
Energy: 1.3837769719143898
Energy: 1.5993695465695337
Energy: 1.5716130669429647
Energy: 1.3521137655822404
Energy: 1.3869587423319707
Energy: 1.5743033150591939
Energy: 1.3820807187438877
Energy: 1.6095476927426573
Energy: 1.3839022921042154
Energy: 1.511533945815977
Energy: 1.350850871420835
Energy: 1.7972659924290677
Energy: 1.3858142928216126
Energy: 1.4536988401914386
Energy: 1.792790430903289
Energy: 1.6323475739670523
Energy: 1.3492951995676736
Energy: 1.7940213828703993
Energy: 1.6081115270935546
Energy: 2.150217545659705
Energy: 1.3505179412927286
Energy: 1.3623494112875727
Energy: 1.3483509000671878
Energy: 1.6718896292339767
Energy: 1.3539246491271413
Energy: 1.6265674193837412
Energy: 1.6858411016652903
Energy: 1.348849356681312
Energy: 1.354646023503194
Energy: 1.3480176166259163
Energy: 1.743227172471341
Energy: 1.4500894391599495
Energy: 1.3538548777119408
Energy: 1.3536363639748248
Energy: 1.3569683691557295
Energy: 1.3563933434638138
Energy: 1.3870008448910967
Energy: 1.9681804477832008
Energy: 1.3523385912186088
Energy: 1.3589981038692267
Energy: 1.367819339880708
Energy: 1.3513352665473837
Energy: 1.572048039736147
Energy: 1.9679027935564408
Energy: 1.6316572688823823
Energy: 1.3494460776722674
Energy: 1.36696725648909
Energy: 1.5132760028646697
Energy: 1.5714752139537995
Energy: 1.6016210274306246
Energy: 1.6216332761727121
Energy: 1.7911993991980817
Energy: 1.3459006444139523
Energy: 1.7900594632691156
Energy: 1.385243572803708
Energy: 1.601766623009304
Energy: 1.3820255394809007
Energy: 1.3491700021371236
Energy: 1.3660057807961243
Energy: 1.571268038910327
Energy: 1.3831958923344378
Energy: 1.5996585093685725
Energy: 1.5729066038630983
Energy: 1.587300468067683
Energy: 1.3958137854968797
Energy: 1.576181248356986
Energy: 1.572724815478042
Energy: 1.4527709796851564
Energy: 1.3841056599636354
Energy: 1.3452338275599196
Energy: 1.4115918107028589
Energy: 1.3827703949390684
Energy: 1.3838765744339818
Energy: 1.3837886994754707
Energy: 1.382857470105329
Energy: 1.3846701231906848
Energy: 1.3461559518622461
Energy: 1.383491919954635
Energy: 1.3831981663165438
Energy: 1.3893910372220335
Energy: 1.386167736158417
Energy: 1.5786573559311312
Energy: 1.3909825254154788
Energy: 1.3869990847314486
Energy: 1.3861191840039166
Energy: 1.3983384718800012
Energy: 1.383866461730098
Energy: 1.717015526736197
Energy: 1.3501802664473752
Energy: 1.781445891799861
Energy: 1.3945788456292503
Energy: 1.3870234567455881
Energy: 1.6535243215816837
Energy: 1.8866226667408497
Energy: 1.350614737548449
Energy: 1.7849171937380837
Energy: 1.3881338443021172
Energy: 1.3558983735598193
Energy: 1.7832012276600786
Energy: 1.429478504394396
Energy: 1.3866818524610927
Energy: 1.7848510083925986
Energy: 1.8702029443378607
Energy: 2.1553099372197435
Energy: 1.7837220186437164
Energy: 1.3926759566866274
Energy: 1.3998819024458489
Energy: 1.385378454403956
Energy: 1.5734225578161776
Energy: 1.3909874575651697
Energy: 1.3864629516990747
Energy: 1.3870537679527997
Energy: 1.3870104102584069
Energy: 1.3865906606712728
Energy: 1.3520235528126638
Energy: 1.966203682583598
Energy: 1.3838413017801838
Energy: 1.384064105425737
Energy: 1.3861245042332921
Energy: 1.3837748086400177
Energy: 1.739969369011978
Energy: 1.9684270143969995
Energy: 1.3843601649387516
Energy: 1.384733363643732
Energy: 1.4518737721288975
Energy: 1.384261865812848
Energy: 1.737538963987657
Energy: 1.3891764646952953
Energy: 1.5793865935543103
Energy: 1.5738737271766903
Energy: 1.3828434405247578
Energy: 1.5774067492724546
Energy: 1.349562626753436
Energy: 1.5813103477308523
Energy: 1.3535672315188336
Energy: 1.3834331918537812
Energy: 1.3874963756260348
Energy: 1.3824145152938843
Energy: 1.349869027178912
Energy: 1.971463264939254
Energy: 1.7929293232320898
Energy: 1.5901970510093304
Energy: 1.4499701350416134
Energy: 1.7938862124925699
Energy: 1.7932437612064025
Energy: 1.3864529997234591
Energy: 1.354485432418393
Energy: 1.7615119099413923
Energy: 1.3507860924505726
Energy: 1.6363587572252518
Energy: 1.3492672139029787
Energy: 1.3647228207971027
Energy: 1.3497729246884338
Energy: 1.7966521621892098
Energy: 1.3505255913912257
Energy: 1.5131151228789208
Energy: 1.3584558366599362
Energy: 1.3567319562561397
Energy: 1.3566264808023998
Energy: 1.7500823251824331
Energy: 1.4508156673227963
Energy: 1.3569233279514672
Energy: 1.3567481837167845
Energy: 1.3609279590922687
Energy: 1.3495705734649222
Energy: 1.7434764897387487
Energy: 1.3867118679051031
Energy: 1.5109920762840972
Energy: 1.3566551955429598
Energy: 1.348042746668536
Energy: 1.3505074099914964
Energy: 1.783356370745557
Energy: 1.383789743777048
Energy: 1.3523443305195002
Energy: 1.3879756921054918
Energy: 1.7804688192989682
Energy: 1.7902743954745768
Energy: 1.7927034619323738
Energy: 1.4522547693575802
Energy: 1.7923552907919311
Energy: 1.34880348857889
Energy: 1.5847739785842867
Energy: 1.5106857690871638
Energy: 1.3844288137476366
Energy: 1.608439084558588
Energy: 1.5881811355907547
Energy: 1.349080951742535
Energy: 1.5782229302675312
Energy: 1.6068440900454906
Energy: 1.5717017531367783
Energy: 1.3836651334653731
Energy: 1.571731063032503
Energy: 1.3508211990450896
Energy: 1.7777184220068563
Energy: 1.384212931248493
Energy: 1.3827816374552433
Energy: 1.3847653175310723
Energy: 1.3824623864443348
Energy: 1.703834325122326

minimum gb energy = 1.3452338275599196 eV
minimum distance =  2.20699512730218 Angstroms
sigma value = 57


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

Energy: 2.0791663966091516
Energy: 1.9917944106796537
Energy: 1.4157970577275203
Energy: 1.6047112043648886
Energy: 1.4181356541595695
Energy: 1.9909758679430973
Energy: 1.482859548904002
Energy: 1.6582001523069352
Energy: 1.3995176100610334
Energy: 1.3988522502223961
Energy: 1.3989376379016063
Energy: 1.6603874863305128
Energy: 1.4156162141703905
Energy: 1.430889623632927
Energy: 1.3995362833971894
Energy: 1.3985596260208175
Energy: 1.3992209967462048
Energy: 1.606419164035996
Energy: 1.7574611038946828
Energy: 1.8618158839777181
Energy: 1.4036810869360157
Energy: 1.4116207440474284
Energy: 1.405297568543854
Energy: 1.636471417468369
Energy: 1.7567666599748144
Energy: 1.8606660431603688
Energy: 1.6286702101107193
Energy: 1.369367923376171
Energy: 1.632861857150444
Energy: 1.6347934340676473
Energy: 1.4079613529268356
Energy: 1.4082829421903371
Energy: 1.8449772363711912
Energy: 1.3561798617075722
Energy: 1.6270702206446161
Energy: 1.409041950252113
Energy: 1.4003167354690467
Energy: 1.4003521552942337
Energy: 1.629176729808283
Energy: 1.4056139329922104
Energy: 1.4010402132372157
Energy: 1.4003520721766471
Energy: 1.4001967394819992
Energy: 1.4008500406495372
Energy: 1.6582117439457318
Energy: 1.4106875601659987
Energy: 1.400232112548253
Energy: 1.400570591634013
Energy: 1.4070760618444413
Energy: 1.4034617632506785
Energy: 1.873226920772516
Energy: 1.399869900446842
Energy: 1.4022581870822188
Energy: 1.403231399292223
Energy: 1.757914837546412
Energy: 1.3999710781569243
Energy: 1.658294212134136
Energy: 1.4021096999064633
Energy: 1.6584272832907505
Energy: 1.4007427323826525
Energy: 1.4466247937197074
Energy: 1.6614805302990339
Energy: 1.4068341503537305
Energy: 1.4209861242121378
Energy: 1.659365858213125
Energy: 1.656996048514045
Energy: 1.4150626364854533
Energy: 1.4017167837741482
Energy: 1.4009444030701697
Energy: 1.4019828496177247
Energy: 1.6649276518842506
Energy: 1.4020787957391847
Energy: 1.4295202628309118
Energy: 1.6592359154134029
Energy: 1.4007010776948854
Energy: 1.4016122788841527
Energy: 1.6643556696809314
Energy: 1.5973160368396315
Energy: 2.058626005690784
Energy: 1.4007257841358913
Energy: 1.411447136983385
Energy: 1.4184109266263794
Energy: 1.4131317220774138
Energy: 1.3550407675452085
Energy: 1.44765758163275
Energy: 1.6588586530076028
Energy: 1.399616133817448
Energy: 1.3998937677856518
Energy: 1.3993768140882046
Energy: 1.657800306749535
Energy: 1.4170114796419688
Energy: 1.4287707657600566
Energy: 1.4011607006540843
Energy: 1.398494188336464
Energy: 1.3992766890369561
Energy: 1.427164342868815
Energy: 1.7543324888749587
Energy: 1.8605102370432203
Energy: 1.406575079916947
Energy: 1.413779299045824
Energy: 1.4044526775712012
Energy: 1.6374379700948296
Energy: 1.7564075240008608
Energy: 1.8600332729031501
Energy: 1.6291349842634109
Energy: 1.4131147327529907
Energy: 1.6329930930575316
Energy: 1.6365806944119639
Energy: 1.4110480343078
Energy: 1.594214862769737
Energy: 1.8446517860305134
Energy: 1.8458889179357851
Energy: 1.6299671843523909
Energy: 1.4066286326178408
Energy: 1.400556687826282
Energy: 1.400618285102688
Energy: 1.6289947523703225
Energy: 1.4055841332322132
Energy: 1.6371337809994246
Energy: 1.4006312587898
Energy: 1.40049361607944
Energy: 1.3998490935465435
Energy: 1.6585940427099803
Energy: 1.4100742747139337
Energy: 1.4073388850891726
Energy: 1.4008334335413306
Energy: 1.410597479108442
Energy: 1.402132770884086
Energy: 1.8607095859708378
Energy: 1.400788789573082
Energy: 1.4003611556742641
Energy: 1.4041359457684208
Energy: 1.4137069627024375
Energy: 1.401936461440468
Energy: 1.6585714125217683
Energy: 1.4013874946784437
Energy: 1.6580594447207508
Energy: 1.401356748933168
Energy: 1.4482615043206954
Energy: 1.661888690801058
Energy: 1.408381161742104
Energy: 1.4222065030067488
Energy: 1.657132870486695
Energy: 1.6572323192692846
Energy: 1.4116134611865796
Energy: 1.4006234052066329
Energy: 1.400950006640351
Energy: 1.4026657348734615
Energy: 1.6653283901067228
Energy: 1.4014918283370565
Energy: 1.4279527934398264
Energy: 1.6589226282868195
Energy: 1.6584852549655456
Energy: 1.402331939584983
Energy: 1.6640497489113761
Energy: 1.4155334039000609
Energy: 2.0707400338143613
Energy: 1.4001299743004392
Energy: 1.4122665942153663
Energy: 1.4170770803685246
Energy: 1.402499412483405
Energy: 1.8439758965601614

minimum gb energy = 1.3550407675452085 eV
minimum distance =  2.20809475479738 Angstroms
sigma value = 43


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

Energy: 2.584612686414012
Energy: 1.4482675303770958
Energy: 1.4587724787777716
Energy: 1.4569345430767442
Energy: 1.4599182327503528
Energy: 1.8699285127898115
Energy: 1.4994650880999874
Energy: 1.449502050991524
Energy: 1.4510535079626508
Energy: 1.4496579038635216
Energy: 1.451641257930942
Energy: 1.659897765592452
Energy: 1.4919093716433938
Energy: 1.5058688148779005
Energy: 1.4505668057034298
Energy: 1.4478379416801606
Energy: 1.451696490187353
Energy: 1.5762718195944336
Energy: 1.721081752284495
Energy: 1.8340563035003554
Energy: 1.4566977539161747
Energy: 1.4568475751036851
Energy: 1.4564740634907118
Energy: 1.4062346041973066
Energy: 1.7199086905985204
Energy: 1.4088721981798968
Energy: 1.7725356928287612
Energy: 1.498336665338128
Energy: 1.772154681278547
Energy: 1.4089217144551318
Energy: 1.416848132652415
Energy: 1.4205336819394867
Energy: 1.8574171269541777
Energy: 1.3969597373629037
Energy: 1.6596534875781175
Energy: 1.419810474636981
Energy: 1.4062185574778499
Energy: 1.4099603447301503
Energy: 1.7717229187140655
Energy: 1.4535817650908314
Energy: 1.4088394673857405
Energy: 1.409316616653464
Energy: 1.40734075291029
Energy: 1.4064422630687603
Energy: 1.7719506412223605
Energy: 1.544821602833109
Energy: 1.4061741997353883
Energy: 1.406828441160137
Energy: 1.41575733219976
Energy: 1.420453806670551
Energy: 1.8369616991617599
Energy: 1.3988880356988593
Energy: 1.4104615188704466
Energy: 1.4199806405241957
Energy: 1.722410599972276
Energy: 1.4104161623700742
Energy: 1.6578263107487743
Energy: 1.53936307232494
Energy: 1.8171371237563099
Energy: 1.4123065932178687
Energy: 1.9451457479151104
Energy: 1.8343270903226976
Energy: 1.4559813614656385
Energy: 1.4552366345186516
Energy: 1.4556895160385381
Energy: 1.4012583792895053
Energy: 1.722049963802832
Energy: 1.8365180021663357
Energy: 1.4484562624257566
Energy: 1.4525635394531642
Energy: 1.4486056436929793
Energy: 1.4121314811660672
Energy: 1.4122340603375425
Energy: 1.4500964000620038
Energy: 1.448794318081236
Energy: 1.4498136640417396
Energy: 1.4485144801659005
Energy: 1.737090836442434
Energy: 1.717221678033847
Energy: 1.4514796552289246
Energy: 1.4575781483525743
Energy: 1.455926189538409
Energy: 1.457527421559625
Energy: 1.8356810895970581
Energy: 1.537503808071652
Energy: 1.6577727147212418
Energy: 1.4496253537036377
Energy: 1.4532323635039468
Energy: 1.6578362243283364
Energy: 1.6584348606381274
Energy: 1.7217063222773796
Energy: 1.448613441464633
Energy: 1.6590132006785852
Energy: 1.4499467207480492
Energy: 1.6567330831649132
Energy: 1.4566359507996403
Energy: 1.7218393742534706
Energy: 1.6568760078840528
Energy: 1.4556908209656925
Energy: 1.4918654791636154
Energy: 1.582808690232876
Energy: 1.4492738466183481
Energy: 1.720872678798307
Energy: 1.4484916335698697
Energy: 1.6572360193992979
Energy: 1.4921455939180865
Energy: 1.6574239863606817
Energy: 1.450467935841011
Energy: 1.4555493858700888
Energy: 1.45882628329537
Energy: 1.4483924874175982
Energy: 1.8717177254926067
Energy: 1.462843945089416
Energy: 1.4583572075786886
Energy: 1.4485122292307253
Energy: 1.4521057967291926
Energy: 1.6576979626473207
Energy: 1.4136249781519519
Energy: 1.4503104093924732
Energy: 1.4496981077751077
Energy: 1.4463061926658154
Energy: 1.4513379698848465
Energy: 1.4146432813072531
Energy: 1.4921690817582134
Energy: 1.4514739052855146
Energy: 1.450706058573066
Energy: 1.456601878112201
Energy: 1.456321701015509
Energy: 1.612723655384641
Energy: 1.408972151471051
Energy: 1.8330218668130116
Energy: 1.4570624134573502
Energy: 1.497924374773768
Energy: 1.7729765244063929
Energy: 1.4127039256347247
Energy: 1.4525424894583137
Energy: 1.6128450635742146
Energy: 1.7715832556466187
Energy: 1.9410778031860414
Energy: 1.411810610557331
Energy: 1.41999326847943
Energy: 1.4176382644504517
Energy: 1.4152156681976749
Energy: 1.8579953557093845
Energy: 1.4532731407021966
Energy: 1.6093560781293483
Energy: 1.4092831480479113
Energy: 1.4076563879054178
Energy: 1.4092232602054788
Energy: 1.6515938826230825
Energy: 1.4541746248795486
Energy: 1.6074773790668269
Energy: 1.4069658952155364
Energy: 1.4086500905184447
Energy: 1.4066686003169602
Energy: 1.6534501264729307
Energy: 1.717161118005253
Energy: 1.8392768918395153
Energy: 1.420247591059627
Energy: 1.418535693796434
Energy: 1.4193487412483812
Energy: 1.398653212743929
Energy: 1.7584223147885274
Energy: 1.6580305731838427
Energy: 1.4101629160216904
Energy: 1.4539754921145747
Energy: 1.4076920045509562
Energy: 1.7714182955264122
Energy: 1.455012252341287
Energy: 1.4571369301983963
Energy: 1.8410531367498066
Energy: 1.3970374328161244
Energy: 1.8340658647362216
Energy: 1.4556939475583126
Energy: 1.4515155941647102
Energy: 1.4483478690912335
Energy: 1.4143867824060128
Energy: 1.4500080847412664
Energy: 1.4513577472397128
Energy: 1.448683621391155
Energy: 1.4481922812025263
Energy: 1.4485581956895437
Energy: 1.6571848299498242
Energy: 1.4124323803313477
Energy: 1.4495911543862499
Energy: 1.4489057500632172
Energy: 1.4556643817128572
Energy: 1.4574027913917358
Energy: 1.4019586549319498
Energy: 1.3958497171262354
Energy: 1.4559111752280232
Energy: 1.4570461823028595
Energy: 1.7197237356311401
Energy: 1.4484809753957892
Energy: 1.6577246404559705
Energy: 1.5377556931414118
Energy: 1.6574984727593685
Energy: 1.4509366644530415
Energy: 1.4892145409918847
Energy: 1.6590256193728483
Energy: 1.4549231519680534
Energy: 1.7239150757075603
Energy: 1.5814077935097237
Energy: 1.4480142917399665
Energy: 1.492322577254195
Energy: 1.4486551539230332
Energy: 1.4493004087777985
Energy: 1.451050168753529
Energy: 1.656855289840706
Energy: 1.4562217219666607
Energy: 1.492247446892665
Energy: 1.6569052921439853
Energy: 1.4501529120640941
Energy: 1.4505309772107633
Energy: 1.6570832812479763
Energy: 1.6994733104658903

minimum gb energy = 1.3958497171262354 eV
minimum distance =  2.23818854351547 Angstroms
sigma value = 81


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

Energy: 1.4223006208114657
Energy: 1.4240295849850728
Energy: 1.4628444649951464
Energy: 1.460353752327244
Energy: 1.75057902410493
Energy: 1.4247372925321131
Energy: 1.4231504473777747
Energy: 1.53869942605031
Energy: 1.4658795500318895
Energy: 1.4663615109503894
Energy: 1.466972923174202
Energy: 1.5374170699258118
Energy: 1.538349320233682
Energy: 1.5403260150910623
Energy: 1.466018674825435
Energy: 1.4599393106175764
Energy: 1.4664851210690477
Energy: 1.537349760778774
Energy: 1.5368714878453875
Energy: 1.5370784826325357
Energy: 1.4649059421417507
Energy: 1.4658016359349784
Energy: 1.5398599260087453
Energy: 1.537091754081109
Energy: 1.536978030619056
Energy: 1.5371077290495783
Energy: 1.536864165121137
Energy: 1.423078067482495
Energy: 1.5378597284577666
Energy: 1.5372494309269065
Energy: 1.4662983312703137
Energy: 1.4661441963800421
Energy: 1.4228671359064697
Energy: 1.4265361247335435
Energy: 1.5376530918285929
Energy: 1.4649568291100834
Energy: 1.463923060397193
Energy: 1.467545758764685
Energy: 1.5372084611443626
Energy: 1.5367568285351314
Energy: 1.540111973805458
Energy: 1.4655170796626658
Energy: 1.462395574214162
Energy: 1.4656282116723556
Energy: 1.5371642530063294
Energy: 1.5368557879951252
Energy: 1.5380946415406926
Energy: 1.46791155652031
Energy: 1.467322526373121
Energy: 1.4646758406681681
Energy: 1.5374214207322876
Energy: 1.5373699514923609
Energy: 1.537172828384565
Energy: 1.465784790397689
Energy: 1.4226685350743695
Energy: 1.539014320885021
Energy: 1.537255486100996
Energy: 1.5370242362318987
Energy: 1.538070915266735
Energy: 1.5370639350808954

minimum gb energy = 1.4223006208114657 eV
minimum distance =  2.28214838911917 Angstroms
sigma value = 3


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

Energy: 1.7541851540719695
Energy: 1.4876753640109242
Energy: 1.398692635261637
Energy: 1.4026249696495579
Energy: 1.3981717278258525
Energy: 1.4335598244484744
Energy: 1.5837817973296326
Energy: 1.4041252823896246
Energy: 1.6084037611582087
Energy: 1.6003084736270985
Energy: 1.4012344803212968
Energy: 1.403771775022175
Energy: 1.5976893103712757
Energy: 1.485390955860428
Energy: 1.6084246600619065
Energy: 1.6002895732085953
Energy: 1.4042065578058285
Energy: 1.6002274386180597
Energy: 1.5969029977916995
Energy: 1.6063159240860352
Energy: 1.5995295160876395
Energy: 1.5980257153652313
Energy: 1.4869227855035383
Energy: 1.6088891644385181
Energy: 1.600555773908033
Energy: 1.6091079825929617
Energy: 1.405116065664899
Energy: 1.7805387930179897
Energy: 1.608529578594607
Energy: 1.5978355105440023
Energy: 1.665527547586298
Energy: 1.651818874458762
Energy: 1.3880348540493823
Energy: 1.3884053779807721
Energy: 1.6032449574249663
Energy: 1.4858786838772884
Energy: 1.781185847008827
Energy: 1.608113918745158
Energy: 1.6618622217654986
Energy: 1.3977852846465508
Energy: 1.607168976630517
Energy: 1.6093232497655896
Energy: 1.7829725485183823
Energy: 1.606577031655958
Energy: 1.4007247537821657
Energy: 1.3982391120087378
Energy: 1.4034426298904046
Energy: 1.608179393478631
Energy: 1.753250448608542
Energy: 1.4052200527413667
Energy: 1.4024432505827498
Energy: 1.399129537796911
Energy: 1.40206725481718
Energy: 1.7839364696938278
Energy: 1.7827495445645907
Energy: 1.5006703715899956
Energy: 1.3983741655670388
Energy: 1.3955376677029971
Energy: 1.4001088279651546
Energy: 1.3993474960970687
Energy: 1.748809881718744
Energy: 1.50292342737712
Energy: 1.6033925499074295
Energy: 1.3970358004470838
Energy: 1.3975821850858083
Energy: 1.600489073913018
Energy: 1.614085062113958
Energy: 1.4923397136089718
Energy: 1.4006164534402652
Energy: 1.722859935809787
Energy: 1.4050985493345822
Energy: 1.4729665247684238
Energy: 1.3977501214473218
Energy: 1.4021693361303906
Energy: 1.4013655097995197
Energy: 1.7171959754811572
Energy: 1.4002927195057455
Energy: 1.4039722922597733
Energy: 1.39374364294929
Energy: 1.403334307521878
Energy: 1.403225011350124
Energy: 1.782480167477285
Energy: 1.4048958319296396
Energy: 1.4058495228255625
Energy: 1.3970071648690425
Energy: 1.4006504245778737
Energy: 1.3981089429029654
Energy: 1.754369266515301
Energy: 1.4769829303481141
Energy: 1.401044331150909
Energy: 1.4009325311978902
Energy: 1.468062143100573
Energy: 1.607555032859158
Energy: 1.5984652102372816
Energy: 1.6066491376872687
Energy: 1.4025174915196545
Energy: 1.7160306579656877
Energy: 1.400847847964032
Energy: 1.5973536619754571
Energy: 1.753116547655538
Energy: 1.5984234237452501
Energy: 1.3756903463502133
Energy: 1.7174039758773376
Energy: 1.4019559461605176
Energy: 1.5976681343095473
Energy: 1.5971481498202817
Energy: 1.4013656978636442
Energy: 1.3763074503554928
Energy: 1.597892633281864
Energy: 1.4050796218114494
Energy: 1.608111970623833
Energy: 1.6044788578651028
Energy: 1.6060750829713368
Energy: 1.5997682948026433
Energy: 1.5968139242393136
Energy: 1.4047741609957298
Energy: 1.3994056381279336
Energy: 1.596969054032646
Energy: 1.4857981922708259
Energy: 1.6070068783459244
Energy: 1.5966794949728407
Energy: 1.607625855918378
Energy: 1.4050378121360023
Energy: 1.397567884993135
Energy: 1.608158498526454
Energy: 1.608137409560955
Energy: 1.5993537849382047
Energy: 1.5993669522665988
Energy: 1.4873163040470552
Energy: 1.3873368954311667
Energy: 1.6004870465238696
Energy: 1.5988280351618664
Energy: 1.7542821505948416
Energy: 1.5982587351206767
Energy: 1.4776518031044736
Energy: 1.7801580170983076
Energy: 1.66206928734914
Energy: 1.5976902328097453
Energy: 1.7822914273696222
Energy: 1.8533446138560723
Energy: 1.4011664765463094
Energy: 1.3956194544579557
Energy: 1.4744781888087253
Energy: 1.7950164492677136
Energy: 1.7544426838424212
Energy: 1.4763319160528463
Energy: 1.4013116182072578
Energy: 1.4028908035282812
Energy: 1.4024112567462446
Energy: 1.5977811246508804
Energy: 1.78976974636983
Energy: 1.4073742693392317
Energy: 1.4014088164715897
Energy: 1.4016400793386683
Energy: 1.400981131343645
Energy: 1.6857427562342349
Energy: 1.749688194040231
Energy: 1.503760247194415
Energy: 1.3967454603192033
Energy: 1.3962976633183206
Energy: 1.397170393310234
Energy: 1.6014329114869066
Energy: 1.7885943233956554
Energy: 1.4995736020351984
Energy: 1.3985456714260889
Energy: 1.7191397771510009
Energy: 1.3981214101233028
Energy: 1.3980531166751418
Energy: 1.3987782144216374
Energy: 1.399537140456716
Energy: 1.3778516456435699
Energy: 1.4100137597342963
Energy: 1.489226536194802
Energy: 1.400507178929464
Energy: 1.3980772224035836
Energy: 1.4039532796372063
Energy: 1.4076673939476194
Energy: 1.6015013438783958
Energy: 1.406074243818175
Energy: 1.4018632157623716
Energy: 1.3991050966300393
Energy: 1.4027813586493008
Energy: 1.6054561211173433
Energy: 1.7526163507577157
Energy: 1.403042010293684
Energy: 1.4025855531234677
Energy: 1.3996174146785467
Energy: 1.4035201719478336
Energy: 1.6603264988421338
Energy: 1.6046365360127257
Energy: 1.8509959035017123
Energy: 1.4033414897942593
Energy: 1.7826688698218534
Energy: 1.4763091567290372
Energy: 1.5969907052273635
Energy: 1.7553596698177791
Energy: 1.4013221417144615
Energy: 1.3772639892765346

minimum gb energy = 1.3756903463502133 eV
minimum distance =  2.28338884268706 Angstroms
sigma value = 67


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

Energy: 1.8840364772514044
Energy: 1.3440046689060783
Energy: 1.3426113556284585
Energy: 1.3430500759899955
Energy: 1.344486041237938
Energy: 1.3442688270352399
Energy: 1.3277388067600397
Energy: 1.3983475954140665
Energy: 1.6007290648552914
Energy: 1.5793610630075678
Energy: 1.3417220953917328
Energy: 1.6569111805682015
Energy: 1.579178584320054
Energy: 1.4035880274296653
Energy: 1.60587470130455
Energy: 1.5810506223928968
Energy: 1.3455899265582176
Energy: 1.5777583100546424
Energy: 1.5809233906972433
Energy: 1.6086946019662662
Energy: 1.3977941717613225
Energy: 1.5810752922640776
Energy: 1.4034722871753857
Energy: 1.600259669950097
Energy: 1.5855053699824444
Energy: 1.599321502800171
Energy: 1.3394339159028252
Energy: 1.344207595190726
Energy: 1.599581100686799
Energy: 1.5772950965938017
Energy: 1.5859374411374567
Energy: 1.345722164996058
Energy: 1.6310965323626443
Energy: 1.591156501970632
Energy: 1.5849159988169583
Energy: 1.3456891161430538
Energy: 1.8183022934731945
Energy: 1.6009446749034484
Energy: 1.6551474825844519
Energy: 1.3354751964350708
Energy: 1.8071737576367595
Energy: 1.6030485592008803
Energy: 1.8212541344200852
Energy: 1.6006692166984626
Energy: 1.343601484670963
Energy: 1.335715422754377
Energy: 1.3460307276505727
Energy: 1.8597211346600688
Energy: 1.6307446744518268
Energy: 1.344864405121798
Energy: 1.3513709409761967
Energy: 1.3377408638191595
Energy: 1.3460506573967006
Energy: 1.8385918566816573
Energy: 1.6065250041177306
Energy: 1.3432258209453425
Energy: 1.338649944071257
Energy: 1.3420301068712737
Energy: 1.3404509959468334
Energy: 1.5813236514494993
Energy: 1.5845824326942075
Energy: 1.6441390306800063
Energy: 1.3495606136452525
Energy: 1.336787612519401
Energy: 1.3877090853210314
Energy: 1.6037660779493732
Energy: 1.6276587788177592
Energy: 1.5799483864664303
Energy: 1.333998034183834
Energy: 1.3281843096949473
Energy: 1.3442298772873944
Energy: 1.6327315638447466
Energy: 1.581774331540483
Energy: 1.5791892864423072
Energy: 1.3340334113395431
Energy: 1.327417973840022
Energy: 1.3832281784092983
Energy: 1.5806386047861976
Energy: 1.57950442585739
Energy: 1.6092808291895162
Energy: 1.4002375907396178
Energy: 1.5774307054045003
Energy: 1.3464419585804877
Energy: 1.600242924533185
Energy: 1.5791998204676292
Energy: 1.4025800849974914
Energy: 1.5997795224175924
Energy: 1.581355740831215
Energy: 1.398057252607582
Energy: 1.5789705074341112
Energy: 1.3353535763201565
Energy: 1.6007424054981878
Energy: 1.6080068578266977
Energy: 1.5832740927666547
Energy: 1.5999909391673333
Energy: 1.5799338707215766
Energy: 1.5803480363866138
Energy: 1.3455818189331934
Energy: 1.5862873074788717
Energy: 1.576988477325941
Energy: 1.5854017022052733
Energy: 1.5957912483590087
Energy: 1.8202424947995237
Energy: 1.3448182399050894
Energy: 1.5772619410761903
Energy: 1.636366434820455
Energy: 1.7949417872197213
Energy: 1.3419111232733578
Energy: 1.3369062776349225
Energy: 1.337493524616517
Energy: 1.854500983295727
Energy: 1.8546070949097293
Energy: 1.6399761372286845
Energy: 1.337015154036497
Energy: 1.3387170613915367
Energy: 1.3423549005255324
Energy: 1.5829990480203133
Energy: 1.636769108577614
Energy: 1.343310375198159
Energy: 1.3391672106037
Energy: 1.3333041392352474
Energy: 1.3452647806386813
Energy: 1.3450400931300253
Energy: 1.6269025173368141
Energy: 1.3422135295385542
Energy: 1.3471258590781554
Energy: 1.3375169833218208
Energy: 1.3399051855171598
Energy: 1.6061732273693619
Energy: 1.5804266591493255
Energy: 1.398379452865495
Energy: 1.3365347050114447
Energy: 1.3280527428259241
Energy: 1.3380792658859768
Energy: 1.6018167373194039
Energy: 1.6064011869395483
Energy: 1.3416200956178
Energy: 1.3395834727917786

minimum gb energy = 1.327417973840022 eV
minimum distance =  2.27369989361163 Angstroms
sigma value = 33


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

Energy: 1.895906994863445
Energy: 1.2853730314876308
Energy: 1.4205295799595652
Energy: 1.589944808009522
Energy: 1.4200329250548787
Energy: 2.0792132344071748
Energy: 1.5561214147360527
Energy: 1.3491640542334005
Energy: 1.7058824134108275
Energy: 1.6987782598777004
Energy: 1.479917270325531
Energy: 1.7474490677804855
Energy: 1.4110802494600345
Energy: 1.2757685113766155
Energy: 1.7466189581753917
Energy: 1.563384778417742
Energy: 1.4797827220814062
Energy: 1.4112311749278987
Energy: 1.418175659181728
Energy: 1.426801508497643
Energy: 1.4797057471602406
Energy: 1.42044125302335
Energy: 1.2800118130448452
Energy: 1.4288487824778247
Energy: 1.4171406199525922
Energy: 1.4275259048583775
Energy: 1.344067441360864
Energy: 1.670063582038533
Energy: 1.2718510317542282
Energy: 1.4111830231386273
Energy: 1.4240052028745045
Energy: 1.2785994462431463
Energy: 1.2750803015320227
Energy: 1.7437016597993829
Energy: 1.274133114884154
Energy: 1.418555064303014
Energy: 1.7625565775884104
Energy: 1.426833769812281
Energy: 1.6282967468044984
Energy: 1.6386009388330716
Energy: 1.2802598615947296
Energy: 1.547901402813732
Energy: 1.762411951108979
Energy: 1.3419620380165713
Energy: 1.4166891195548972
Energy: 1.4111612297525262
Energy: 1.4203322835879268
Energy: 1.5746888545530189
Energy: 1.4185912025220138
Energy: 1.2812730788757432
Energy: 1.428573059053931
Energy: 1.4113324340400422
Energy: 1.426705436871252
Energy: 1.420558270159268
Energy: 1.6980716832429268
Energy: 1.3438595256407968
Energy: 1.4272619576879173
Energy: 1.4106725402551492
Energy: 1.277298519523166
Energy: 1.7198089047252307
Energy: 1.6983259247530778
Energy: 1.7467608288507015
Energy: 1.2753902701563153
Energy: 1.41208511115076
Energy: 1.590506927306959
Energy: 1.7477861580258882
Energy: 1.6856709344790048
Energy: 1.6700935766728517
Energy: 1.2803726144330128
Energy: 1.5892867862808118
Energy: 1.2788179861523281
Energy: 1.6850241409086164
Energy: 1.7834119487965783
Energy: 1.6861162367040978
Energy: 1.2807456240925907
Energy: 1.5891022719584489
Energy: 1.2828187378061888
Energy: 1.792724945901543
Energy: 1.83858115122742
Energy: 1.7469327820816574
Energy: 1.27719916508883
Energy: 1.2769411125643062
Energy: 1.2771586328775528
Energy: 1.9200231999383317
Energy: 1.8517565438799604
Energy: 1.2789644772307507
Energy: 1.27480315878499
Energy: 1.2757730574901773
Energy: 1.2767980199173379
Energy: 1.4718460168764007
Energy: 1.7683593234467982
Energy: 1.280948875363563
Energy: 1.2807239869708427
Energy: 1.27418678677415
Energy: 1.279134938018754
Energy: 1.5290348073727575
Energy: 1.7005755960392053
Energy: 1.3461893062135608
Energy: 1.2776145638498742
Energy: 1.2733091027210974
Energy: 1.2795886114422563
Energy: 1.74999448384035
Energy: 1.807949940488588
Energy: 1.592908133761922
Energy: 1.477924650373889
Energy: 1.424990431113092
Energy: 1.2788287906697928
Energy: 1.6855268067818554
Energy: 1.6799815106528506
Energy: 1.6825247907727199
Energy: 1.2712744731793628
Energy: 1.567489830891
Energy: 1.5210173126709834
Energy: 1.6808811422010628
Energy: 1.6992841392052258
Energy: 1.7192429659208348
Energy: 1.2761225376049588
Energy: 1.556363748586034
Energy: 1.4957113026086688
Energy: 1.6858617117230712
Energy: 1.548302878181378
Energy: 1.7728470571422508
Energy: 1.4282157751158913
Energy: 1.410563931887002
Energy: 1.3445561928693786
Energy: 1.7457389865728346
Energy: 1.6846063253588173
Energy: 1.340484718260527
Energy: 1.4275776901370585
Energy: 1.4258511476524918
Energy: 1.4267543055842993
Energy: 1.4202626495992923
Energy: 1.6702851306112347
Energy: 1.2756916235679527
Energy: 1.425890316687496
Energy: 1.4130427883548529
Energy: 1.4268118933615392
Energy: 1.631145102691848
Energy: 1.7924604361399572
Energy: 1.7034352627701792
Energy: 1.41860678126073
Energy: 1.4188072741671467
Energy: 1.4190678329119686
Energy: 2.0063111071159168
Energy: 1.6370168931474463
Energy: 1.429106080138324
Energy: 1.410169092121861
Energy: 1.766624960688399
Energy: 1.4262873288904419
Energy: 1.478916701503605
Energy: 1.4107683010146057
Energy: 1.4199014776467942
Energy: 1.5682951057637555
Energy: 1.808812249887935
Energy: 1.3314071163074186
Energy: 1.4113022172674161
Energy: 1.4082486647721226
Energy: 1.4271394961817405
Energy: 1.279627603040647
Energy: 1.670280487588816
Energy: 1.2784343206716557
Energy: 1.4337674720460776
Energy: 1.409347472595941
Energy: 1.2783617913208531
Energy: 1.4779795641687314
Energy: 1.6990791532873337
Energy: 1.3410175117635161
Energy: 1.4331071676903875
Energy: 1.4121565152635518
Energy: 1.3426722733738299
Energy: 1.747677220497363
Energy: 1.6974675760030682
Energy: 1.7464572654547559
Energy: 1.4147982883490267
Energy: 1.666987889271891
Energy: 1.2794375695344735
Energy: 1.684485091278859
Energy: 1.686073850900338
Energy: 1.6055746021692867
Energy: 1.4209745907045717
Energy: 1.666104655186002
Energy: 1.2824377809839815
Energy: 1.749662453619103
Energy: 1.749735857851011
Energy: 1.6703237122016528
Energy: 1.4211310568841558
Energy: 1.2774965309961106
Energy: 1.4112557212400656
Energy: 1.7473567077974297
Energy: 1.7625813827880272
Energy: 1.7467241048549476
Energy: 1.4138222152573021
Energy: 1.2760727427890965
Energy: 1.2745387639145243
Energy: 1.3419445622585973
Energy: 1.8370842916951524
Energy: 1.283456011181591
Energy: 1.2718069083699064
Energy: 1.2717200353590596
Energy: 1.2792844854478773
Energy: 1.2806511873117643
Energy: 1.7667354501236363
Energy: 1.2789436476493325
Energy: 1.2849974611387989
Energy: 1.2771900557738807
Energy: 1.2767256853149482
Energy: 1.4778417080556436
Energy: 1.7040839035623379
Energy: 1.2822051893203106
Energy: 1.2755872407902042
Energy: 1.4197900707316882
Energy: 1.4795975932999517
Energy: 1.7474185297863518
Energy: 1.6987482291088398
Energy: 1.477136976125567
Energy: 1.4195967211344165
Energy: 1.7671892747890856
Energy: 1.4799097049326042
Energy: 1.7497395618197273
Energy: 1.6812532271172835
Energy: 1.522215544683433
Energy: 1.565794440023404

minimum gb energy = 1.2712744731793628 eV
minimum distance =  2.23426453445003 Angstroms
sigma value = 41


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

Energy: 1.9861472105290883
Energy: 1.9193791497128094
Energy: 1.4103455948599595
Energy: 1.4169453606410565
Energy: 1.411164362583881
Energy: 1.9154715055998692
Energy: 1.7544896006334494
Energy: 1.1093765584384145
Energy: 1.111150036225443
Energy: 1.4225446316863724
Energy: 1.109992152267448
Energy: 1.4184816324877938
Energy: 1.4180775747081353
Energy: 1.1098652310582804
Energy: 1.1111493994825639
Energy: 1.0544179833856766
Energy: 1.1091562635600813
Energy: 1.4164573216117047
Energy: 1.4201542261953954
Energy: 1.4991350993171513
Energy: 1.115036853007902
Energy: 1.4171075225462473
Energy: 1.1142780999565578
Energy: 1.4976272972245146
Energy: 1.417646839851531
Energy: 1.4192920746231075
Energy: 1.1100761478086687
Energy: 1.4201613260637087
Energy: 1.1090721240739356
Energy: 1.418301460918949
Energy: 1.4094676826351349
Energy: 1.4108371062584937
Energy: 1.8872620737551957
Energy: 1.4073403447721815
Energy: 1.8851054030330134
Energy: 1.411383198427446
Energy: 1.7621648605640567
Energy: 1.5079159489272393
Energy: 1.4133632823112396
Energy: 1.4180616912620883
Energy: 1.4968408195889946
Energy: 1.753810958713007
Energy: 1.7536177122676915
Energy: 1.1108292467101764
Energy: 1.4192901286189163
Energy: 1.4371287379757525
Energy: 1.1103250418345108
Energy: 1.9214082625183098
Energy: 1.413050106066772
Energy: 1.4987928999712896
Energy: 1.1149097865563158
Energy: 1.05432029807101
Energy: 1.1096486366506053
Energy: 1.4118747631412623
Energy: 1.4256846062397472
Energy: 1.1130312191322003
Energy: 1.114006576278993
Energy: 1.5323476498891204
Energy: 1.1134737618777164
Energy: 1.4198515157596496
Energy: 1.4213023183270657
Energy: 1.5012587839770566
Energy: 1.112582856574902
Energy: 1.4370647344581453
Energy: 1.112713986959941
Energy: 1.4992648953198706
Energy: 1.4114548000862475
Energy: 1.4172354184802833
Energy: 1.1146260180086818
Energy: 1.4058806122263579
Energy: 1.1119813989200757
Energy: 1.4175184979159625
Energy: 1.4157355570481094
Energy: 1.4176220103535355
Energy: 1.1120642472749707
Energy: 1.53459054708554
Energy: 1.112343455835007
Energy: 1.4111472586326652
Energy: 1.763187647926038
Energy: 1.5008503511080071
Energy: 1.410203083384517
Energy: 1.437832492262289
Energy: 1.4191506320953775
Energy: 1.9177753538063633

minimum gb energy = 1.05432029807101 eV
minimum distance =  2.27136289727143 Angstroms
sigma value = 11


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

Energy: 2.235502722034571
Energy: 1.33258631671681
Energy: 1.3350786792428253
Energy: 1.5480995542275198
Energy: 1.334976505895989
Energy: 2.097681430001064
Energy: 1.329902540296929
Energy: 1.521359459078584
Energy: 1.4070913054788021
Energy: 1.4676205909385938
Energy: 1.4039239408389914
Energy: 1.341157701555943
Energy: 1.339847191737462
Energy: 1.3517611496835436
Energy: 1.5621461000189278
Energy: 1.3335849447432007
Energy: 1.5648280416360036
Energy: 1.3538999409934924
Energy: 1.3411641979224396
Energy: 1.351569472869372
Energy: 1.520233779533391
Energy: 1.3346407400704063
Energy: 1.3720777651083116
Energy: 1.3544938161822047
Energy: 1.3402497698662286
Energy: 1.3525441536038787
Energy: 1.5206491308253978
Energy: 1.4671818665985379
Energy: 1.351951611848595
Energy: 1.3528324783740644
Energy: 1.339591388952967
Energy: 1.3511850097711424
Energy: 1.9121112835613634
Energy: 1.334725414873772
Energy: 1.9127434951507813
Energy: 1.354256404574433
Energy: 1.335906565665471
Energy: 1.520211997324299
Energy: 1.3387465545898483
Energy: 1.334559527590877
Energy: 1.3384887293172933
Energy: 1.4020463905629756
Energy: 1.490431992656036
Energy: 1.53392534924337
Energy: 1.3455065398102477
Energy: 1.3406849111250285
Energy: 1.3336979881151505
Energy: 1.3305599395357603
Energy: 1.3401029990161901
Energy: 1.359113176721243
Energy: 1.4046810663624603
Energy: 1.3309874135140491
Energy: 1.5289549553840345
Energy: 1.3561411796561968
Energy: 1.3405449637207003
Energy: 1.3407696193575842
Energy: 1.5205218610266686
Energy: 1.330011126228996
Energy: 1.529117514365877
Energy: 1.3434436119016497
Energy: 1.470339542801434
Energy: 1.5411900624952666
Energy: 1.3988595783136477
Energy: 1.340479933660437
Energy: 1.5338324877992278
Energy: 1.539187722985518
Energy: 1.4693310388492737
Energy: 1.5338792078223018
Energy: 1.5430918546674168
Energy: 1.4696002053991857
Energy: 1.535382741876287
Energy: 1.4706720132920295
Energy: 1.3409899173180095
Energy: 1.5399162770707997
Energy: 1.469958027218748
Energy: 1.470407593185029
Energy: 1.4695895035341509
Energy: 1.521942248936637
Energy: 1.3296369819849114
Energy: 1.3509227489729274
Energy: 1.351085111746002
Energy: 1.3417651650555023
Energy: 1.3518612576148894
Energy: 1.5633806459694517
Energy: 1.3404471414523786
Energy: 1.520740872041746
Energy: 1.3445733251772753
Energy: 1.3418050159440476
Energy: 1.5213072168646093
Energy: 1.335457729450886
Energy: 1.3409447189553168
Energy: 1.3430300973408
Energy: 1.3316744079424883
Energy: 2.098349221838526
Energy: 1.3342706147798267
Energy: 1.3418796110429667
Energy: 1.4678359115612023
Energy: 1.404924757431576
Energy: 1.520363995564256
Energy: 1.3301769319595165
Energy: 1.520955508858503
Energy: 1.3366875036034247
Energy: 1.597266462476522
Energy: 1.564074705296318
Energy: 1.3523536413991502
Energy: 1.3386898311641373
Energy: 1.3516678081263642
Energy: 1.7054287890179594
Energy: 1.4679242919662467
Energy: 1.3529699988753057
Energy: 1.352960980712132
Energy: 1.3502582803028453
Energy: 1.3538418809034012
Energy: 1.3343839910614697
Energy: 1.467336809845669
Energy: 1.3524873582893193
Energy: 1.3528219381623225
Energy: 1.350897658126057
Energy: 1.3527417433229056
Energy: 1.4039883447787782
Energy: 1.3334159187693284
Energy: 1.9111631442272008
Energy: 1.3515391091922135
Energy: 1.3398386264970945
Energy: 1.3509787012554393
Energy: 1.9116654538681992
Energy: 1.3349089972651904
Energy: 1.3341457033970971
Energy: 1.520154515968662
Energy: 1.33548672788007
Energy: 1.5203883365480273
Energy: 1.3374958758121045
Energy: 1.34094768157593
Energy: 1.342679148180838
Energy: 1.9033861467356308
Energy: 1.3296303425431943
Energy: 1.6840167698362463
Energy: 1.3430417646413924
Energy: 1.3300153453865897
Energy: 1.5200714927013121
Energy: 1.3512881838690194
Energy: 1.3409145795001816
Energy: 1.5209124170026176
Energy: 1.3308132968474868
Energy: 1.330036563436522
Energy: 1.5289798503509648
Energy: 1.3402940945473485
Energy: 1.3403120124638452
Energy: 1.3515804407621455
Energy: 1.3308522739311488
Energy: 1.3405567514398322
Energy: 1.4010375863029263
Energy: 1.4701763399020285
Energy: 1.4704715039875937
Energy: 1.4696553676525763
Energy: 1.4725952661890491
Energy: 1.4693287618322008
Energy: 1.533940269430201
Energy: 1.5339854150840893
Energy: 1.4696834347800296
Energy: 1.40631070486128
Energy: 1.4696747786260862
Energy: 1.469906378990434
Energy: 1.470911830403154
Energy: 1.399572165874531
Energy: 1.3414106183568584
Energy: 1.540665400542986
Energy: 1.4709032713460413
Energy: 1.3412201836222617
Energy: 1.3514638568418895
Energy: 1.5287272528045084
Energy: 1.3293854321252083
Energy: 1.3512905292763706
Energy: 1.3414022150657539
Energy: 1.3408550447877132
Energy: 1.3410930839300323
Energy: 1.5436169472100807
Energy: 1.3343655835410269
Energy: 1.5202608795143948
Energy: 1.3546162484627542
Energy: 1.329138097960876
Energy: 1.5344346191754374
Energy: 1.3430085634920679
Energy: 1.3410251513040536
Energy: 1.340626517262778
Energy: 1.7061495035767107

minimum gb energy = 1.329138097960876 eV
minimum distance =  2.24532757562112 Angstroms
sigma value = 57


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

Energy: 2.321768863686982
Energy: 1.4690255793995044
Energy: 1.5445795449191322
Energy: 1.5424818409530239
Energy: 1.567109595668403
Energy: 2.1197138523536387
Energy: 1.4075184381445707
Energy: 1.475051861857419
Energy: 1.4724039844574506
Energy: 1.4243037398411282
Energy: 1.4720134495652788
Energy: 1.489806900128983
Energy: 1.423784524914018
Energy: 1.4261334810102977
Energy: 1.4885721783892678
Energy: 1.466938208472988
Energy: 1.4904434542117353
Energy: 1.4268911311505186
Energy: 1.424834135668224
Energy: 1.448515061027581
Energy: 1.4875372477588258
Energy: 1.426476465762783
Energy: 1.4493542797903913
Energy: 1.4493633354979583
Energy: 1.4256329971238186
Energy: 1.4483184089112142
Energy: 1.475716778349852
Energy: 1.4246216811077146
Energy: 1.4473550240885311
Energy: 1.4500981377511066
Energy: 1.4243926305513468
Energy: 1.4865472136501539
Energy: 1.8059919866401082
Energy: 1.4243261684226045
Energy: 1.4914029524467005
Energy: 1.427091905612515
Energy: 1.4186688812124668
Energy: 1.4872636587608856
Energy: 1.4257631680992944
Energy: 1.424918150121217
Energy: 1.4261455100568594
Energy: 1.4752729853076416
Energy: 1.4220067307675444
Energy: 1.4901085870199315
Energy: 1.427510072824803
Energy: 1.4244003717901526
Energy: 1.4256188892089796
Energy: 1.4932740970194558
Energy: 1.4238459354987385
Energy: 1.4297009605593691
Energy: 1.4092244136432635
Energy: 1.4078327944134248
Energy: 1.487509131885891
Energy: 1.4267788174980023
Energy: 1.4239490756744475
Energy: 1.4254715158033713
Energy: 1.409219217403208
Energy: 1.4077123780087881
Energy: 1.4871027172510267
Energy: 1.4254526965325625
Energy: 1.4080183245143707
Energy: 1.4919941087674775
Energy: 1.4870099339402296
Energy: 1.424392200349864
Energy: 1.4880521888982705
Energy: 1.4910441175067735
Energy: 1.407931330332492
Energy: 1.4866884330974657
Energy: 1.4500013058609496
Energy: 1.4253179056970189
Energy: 1.4486505751824044
Energy: 1.4708610336445245
Energy: 1.4257136574782858
Energy: 1.479630506848642
Energy: 1.4500738937142845
Energy: 1.4263323679347306
Energy: 1.4491286969859825
Energy: 1.4259280574238953
Energy: 1.4240733423493976
Energy: 1.4912824782042475
Energy: 1.426824593659198
Energy: 1.427339397966951
Energy: 1.4876709012004623
Energy: 1.8039681655986752
Energy: 1.4259131621961747
Energy: 1.4719805613483345
Energy: 1.4884947374310205
Energy: 1.4245078401353857
Energy: 1.473299336118006
Energy: 1.426116813832792
Energy: 1.424570453523484
Energy: 1.4279022427764865
Energy: 1.4467083093562696
Energy: 1.7917999446128707
Energy: 1.4466693998173006
Energy: 1.430816459268148
Energy: 1.4075585577351344
Energy: 1.488059441393982
Energy: 1.4901013086491273
Energy: 1.42489863440433
Energy: 1.4717256467886388
Energy: 1.427120000117942

minimum gb energy = 1.4075184381445707 eV
minimum distance =  2.26941185607974 Angstroms
sigma value = 9


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

Energy: 2.5130010306828767
Energy: 1.461382349851973
Energy: 1.5530191945128433
Energy: 1.5540005934680157
Energy: 1.553047035020665
Energy: 1.46086288574076
Energy: 1.4823854313722031
Energy: 1.6085368581519934
Energy: 1.4768078706318193
Energy: 1.4723543596613258
Energy: 1.558287671571951
Energy: 1.5681312319066543
Energy: 1.469744029179112
Energy: 1.4752815026659216
Energy: 1.6250777026134113
Energy: 1.6229062210636047
Energy: 1.5672115940198188
Energy: 1.4722741581351526
Energy: 1.4945126470662897
Energy: 1.4727037911236072
Energy: 1.4722799203151156
Energy: 1.473220187682974
Energy: 1.5897094001381555
Energy: 1.4731173465439253
Energy: 1.4952698013737082
Energy: 1.5626437814514509
Energy: 1.5179597548005876
Energy: 1.4983604833616848
Energy: 1.518018345273191
Energy: 1.5620676305724845
Energy: 1.470886447590395
Energy: 1.5172724723447737
Energy: 1.564101397980326
Energy: 1.4956958898922794
Energy: 1.5627922657029572
Energy: 1.4747646635533393
Energy: 1.467039291112735
Energy: 1.4991984790539141
Energy: 1.4731635346601595
Energy: 1.4726642613774799
Energy: 1.4715154942227282
Energy: 1.5367416665065288
Energy: 1.4650464840218316
Energy: 1.5683164254968205
Energy: 1.4891200250136978
Energy: 1.4668383371410096
Energy: 1.4965600833696617
Energy: 1.566445199797292
Energy: 1.47317716432925
Energy: 1.4725116546917272
Energy: 1.5951137574535617
Energy: 1.4998092812140662
Energy: 1.5682609028242758
Energy: 1.4727467583578258
Energy: 1.4662792224030554
Energy: 1.476693876440129
Energy: 1.5946206341622327
Energy: 1.492755075925153
Energy: 1.5672825365916914
Energy: 1.4729948033159717
Energy: 1.4862003077902348
Energy: 1.5676640320410995
Energy: 1.4866109936876732
Energy: 1.467116749298645
Energy: 1.486971315891837
Energy: 1.4971860163271091
Energy: 1.4823773450445648
Energy: 1.5299216452930477
Energy: 1.4726219393373694
Energy: 1.472732716477456
Energy: 1.5005427354112317
Energy: 1.5851661368584982
Energy: 1.465680249012898
Energy: 1.4754485887431172
Energy: 1.5958569657799568
Energy: 1.4962459370536758
Energy: 1.564620161210615
Energy: 1.4854134075768364
Energy: 1.4690968608602777
Energy: 1.4994017895366218
Energy: 1.535809329631651
Energy: 1.4969748777396645
Energy: 1.4997795705769754
Energy: 1.4727228916976731
Energy: 1.4955472623870112
Energy: 1.5635799224936018
Energy: 1.4726537696170068
Energy: 1.4720481276290538
Energy: 1.5182658888364857
Energy: 1.5635716787121148
Energy: 1.4956156066177175
Energy: 1.5195307342682969
Energy: 1.559899603659954
Energy: 1.5623497992762052
Energy: 1.564385886070958
Energy: 1.4994537405880188
Energy: 1.47006626783087
Energy: 1.5785587173021998
Energy: 1.4734822596657597
Energy: 1.4988006776895797
Energy: 1.4719737373998258
Energy: 1.5681157329213762
Energy: 1.466841423928506
Energy: 1.565765001951782
Energy: 1.47371015800553
Energy: 1.467085727056936
Energy: 1.4748095485438688
Energy: 1.567089554374036
Energy: 1.472879617397377
Energy: 1.5015580859258564
Energy: 1.558405447251129
Energy: 1.473118496428425
Energy: 1.5576017138505853
Energy: 1.5012876670991069
Energy: 1.5532342860824937
Energy: 1.5552633597106291
Energy: 1.4733420834538142
Energy: 1.5904212090950998
Energy: 1.4870166208221574
Energy: 1.5551560650811485
Energy: 1.4827945094675792
Energy: 1.5295064408310945
Energy: 1.475482572495976
Energy: 1.4669937085699867
Energy: 1.5969313768432443
Energy: 1.4772720877743792

minimum gb energy = 1.46086288574076 eV
minimum distance =  2.28106359615745 Angstroms
sigma value = 27


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

Energy: 2.106935784498136
Energy: 1.531951897864265
Energy: 1.5758552259921887
Energy: 1.5752396080238054
Energy: 1.5757312318923142
Energy: 1.533493995313569
Energy: 1.4775888333275875
Energy: 1.6226656858714639
Energy: 1.489702661308441
Energy: 1.4881016420612703
Energy: 1.6218208744678635
Energy: 1.4883420062795178
Energy: 1.478394705892526
Energy: 1.4980977089336076
Energy: 1.6212173591572643
Energy: 1.6201415303775621
Energy: 1.6211765804331293
Energy: 1.4950563400570878
Energy: 1.4850271030976303
Energy: 1.4949645540954597
Energy: 1.6191420227016131
Energy: 1.4876879247746546
Energy: 1.657910079993917
Energy: 1.4959951117428054
Energy: 1.4909026393697227
Energy: 1.645095613147631
Energy: 1.5427951086107499
Energy: 1.5033194383733788
Energy: 1.5452185084215995
Energy: 1.641875998361025
Energy: 1.4655931832557652
Energy: 1.5561355890204205
Energy: 1.541593756611102
Energy: 1.5040524584144868
Energy: 1.542244543710588
Energy: 1.4644023881327648
Energy: 1.4489085391373062
Energy: 1.571190989433989
Energy: 1.5469750101263775
Energy: 1.5476952871450425
Energy: 1.5473640147652685
Energy: 1.6530212920212721
Energy: 1.448808621333094
Energy: 1.6526367819648153
Energy: 1.5244618096877174
Energy: 1.5013553866792715
Energy: 1.5707806393438883
Energy: 1.4577797833728976
Energy: 1.449238421846277
Energy: 1.487195729028309
Energy: 1.5128370197243886
Energy: 1.501690177119595
Energy: 1.4897486363348234
Energy: 1.4867867867631954
Energy: 1.448681617626756
Energy: 1.433895655749259
Energy: 1.4347763516464282
Energy: 1.5018283999304958
Energy: 1.5130000434478112
Energy: 1.4343297231095713
Energy: 1.4758344726251846
Energy: 1.7016223799983676
Energy: 1.5096440394785062
Energy: 1.476295053913352
Energy: 1.5024997068244355
Energy: 1.4606904886729228
Energy: 1.486014225017646
Energy: 1.7049085042145875
Energy: 1.4684399785146547
Energy: 1.4695418438811203
Energy: 1.4868743175575734
Energy: 1.4379889720385117
Energy: 1.4490175732179302
Energy: 1.449708696585079
Energy: 1.4335828111888143
Energy: 1.4326792998956852
Energy: 1.4342383725087686
Energy: 1.4517229721372509
Energy: 1.449618013587893
Energy: 1.4349611698632556
Energy: 1.6137473022697462
Energy: 1.4697820925255825
Energy: 1.4332478704685059
Energy: 1.4346052536888556
Energy: 1.444465518294014
Energy: 1.704350844832063
Energy: 1.486026466562423
Energy: 1.4688699925380682
Energy: 1.4852628241964767
Energy: 1.6272670507036815
Energy: 1.4679393094865354
Energy: 1.5955272983069577
Energy: 1.5167107088580163
Energy: 1.500296528662828
Energy: 1.5903359891569764
Energy: 1.434982998880547
Energy: 1.4478359159735061
Energy: 1.4494460113580807
Energy: 1.5224389226414385
Energy: 1.5231377500972656
Energy: 1.5149973910394936
Energy: 1.4491144328669887
Energy: 1.4886130365617347
Energy: 1.5337606523080536
Energy: 1.5760936490769613
Energy: 1.4996576821097563
Energy: 1.5588165286178643
Energy: 1.534180555806365
Energy: 1.4641469629952262
Energy: 1.5521206451948693
Energy: 1.62268372920013
Energy: 1.4811209040798805
Energy: 1.5495368410080137
Energy: 1.5512485082110858
Energy: 1.4640026316236425
Energy: 1.5745241411658426
Energy: 1.6516105373482435
Energy: 1.6495369321019195
Energy: 1.6506311206656483
Energy: 1.4893523310781909
Energy: 1.4883786173902915
Energy: 1.4969709090945142
Energy: 1.5001955806372085
Energy: 1.4960138391745743
Energy: 1.4937002413629128
Energy: 1.6213620378694344
Energy: 1.445296149966881
Energy: 1.620925733573751
Energy: 1.4938418493376728
Energy: 1.4768324484819433
Energy: 1.6152588870698308
Energy: 1.6212692870915184
Energy: 1.4883657978411322
Energy: 1.491182743917255
Energy: 1.533200677856897
Energy: 1.4862354212499866
Energy: 1.6212491634956392
Energy: 1.4899942745862311
Energy: 1.5369506078195878
Energy: 1.4799165559682985
Energy: 1.5874871086447253
Energy: 1.4883345714809644
Energy: 1.5072171394010678
Energy: 1.4618664822435825
Energy: 1.4777301334133148
Energy: 1.6221365277575968
Energy: 1.4896797428189725
Energy: 1.5564722187812199
Energy: 1.4890204224861598
Energy: 1.628479767799714

minimum gb energy = 1.4326792998956852 eV
minimum distance =  2.26384941440775 Angstroms
sigma value = 19


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

Energy: 2.213548388388192
Energy: 1.4828377739404242
Energy: 1.518788804485226
Energy: 1.5194279958304542
Energy: 1.5189454334731254
Energy: 1.4846143371320326
Energy: 1.4020864182682127
Energy: 1.6041388410634088
Energy: 1.415109750707147
Energy: 1.4155562630826255
Energy: 1.4558185519390123
Energy: 1.4199520115088242
Energy: 1.4063063829283873
Energy: 1.406612783901302
Energy: 1.5872911017250624
Energy: 1.6170242907291192
Energy: 1.4094096066771082
Energy: 1.4061507173126166
Energy: 1.409075646183852
Energy: 1.4337331489394916
Energy: 1.4375527903653587
Energy: 1.4154932183808948
Energy: 1.6277909976234162
Energy: 1.4094731698785476
Energy: 1.3867757296041243
Energy: 1.5589363640238343
Energy: 1.4445328816770922
Energy: 1.42536494963097
Energy: 1.4445247415551297
Energy: 1.6277218781632707
Energy: 1.4089411601033748
Energy: 1.5168965155253828
Energy: 1.446182076573085
Energy: 1.4058516343886416
Energy: 1.4448641015190542
Energy: 1.4092095620250158
Energy: 1.4202686416376478
Energy: 1.5441991409205134
Energy: 1.524910377919663
Energy: 1.5236065556772656
Energy: 1.5248144364560223
Energy: 1.5296106276847505
Energy: 1.4202802752129602
Energy: 1.5290532364602674
Energy: 1.4060634136713144
Energy: 1.4071061800175129
Energy: 1.559699536798175
Energy: 1.5338036558951247
Energy: 1.4176727905407958
Energy: 1.4555848963627676
Energy: 1.507440681583907
Energy: 1.415872579431585
Energy: 1.4545174493380466
Energy: 1.4549859636694957
Energy: 1.4199946256299074
Energy: 1.409259654840104
Energy: 1.6670558872728294
Energy: 1.4062122433008264
Energy: 1.6659311682592433
Energy: 1.416203428941983
Energy: 1.3935799533799145
Energy: 1.4326184471906187
Energy: 1.4320921110209022
Energy: 1.4062167603892122
Energy: 1.4320170897610953
Energy: 1.508382433560624
Energy: 1.420059598208666
Energy: 1.3951861338331146
Energy: 1.3917177649387313
Energy: 1.4049603752859119
Energy: 1.3920242690315865
Energy: 1.3758636117109835
Energy: 1.419553363559354
Energy: 1.4096908000894361
Energy: 1.3937827716660038
Energy: 1.3859488917278846
Energy: 1.4092359414757132
Energy: 1.4210066189912949
Energy: 1.3760350395837688
Energy: 1.3928215857597879
Energy: 1.391482303692545
Energy: 1.385812650958985
Energy: 1.7256167974725318
Energy: 1.3785209771776448
Energy: 1.3898715492162748
Energy: 1.3917106643096462
Energy: 1.4053724407783195
Energy: 1.4051882582873823
Energy: 1.4053554264814903
Energy: 1.393451883891289
Energy: 1.376189852359116
Energy: 1.3916174169889381
Energy: 1.3929661042530408
Energy: 1.4048081208096461
Energy: 1.3918701081169436
Energy: 1.7237021232441305
Energy: 1.3759117018329496
Energy: 1.3756864599494525
Energy: 1.386368362371216
Energy: 1.3949241630097429
Energy: 1.376498464404077
Energy: 1.3768528037538332
Energy: 1.4155022717143513
Energy: 1.4162939009222821
Energy: 1.501842167025479
Energy: 1.4010451139650444
Energy: 1.3926424534709767
Energy: 1.415299867241663
Energy: 1.3866694541862177
Energy: 1.522897585581023
Energy: 1.4075443197446336
Energy: 1.4056513408260107
Energy: 1.4506550783951027
Energy: 1.552613399532658
Energy: 1.4153021455683104
Energy: 1.4676385689133504
Energy: 1.4681383031454707
Energy: 1.407445317871133
Energy: 1.4675738677991608
Energy: 1.3766623443978105
Energy: 1.415065690712805
Energy: 1.5490863097747671
Energy: 1.534722500442563
Energy: 1.5170589215834134
Energy: 1.5341858113028854
Energy: 1.4165216448168274
Energy: 1.4189786235370585
Energy: 1.5331982452836872
Energy: 1.5103791012565022
Energy: 1.4062885506917673
Energy: 1.5130727934935089
Energy: 1.5341961234312351
Energy: 1.4145629698275313
Energy: 1.4506220021742229
Energy: 1.5185391399355195
Energy: 1.4056290887079408
Energy: 1.4989221800418984
Energy: 1.4502889523777671
Energy: 1.4187339933818093
Energy: 1.4156301793930615
Energy: 1.6546157957739724
Energy: 1.406239504836391
Energy: 1.6528122856610303
Energy: 1.4205411180562313
Energy: 1.4184846902463357
Energy: 1.4030208681905616
Energy: 1.406278731299093
Energy: 1.4067295069321386
Energy: 1.402847140772648
Energy: 1.6545560640014805
Energy: 1.393538468239781
Energy: 1.4067266333090036
Energy: 1.4058427360122667
Energy: 1.4036711138472604
Energy: 1.4029778445158072
Energy: 1.4054966598356307
Energy: 1.4187227214950022
Energy: 1.4195872529002007
Energy: 1.6333427836686008
Energy: 1.3858299336590982
Energy: 1.633886284501246
Energy: 1.4193921422295355
Energy: 1.406735878520361
Energy: 1.4166068735843296
Energy: 1.3938702279650537
Energy: 1.3858949348497678
Energy: 1.4188167696287521
Energy: 1.40837563318178
Energy: 1.476267295093121
Energy: 1.4057013007755104
Energy: 1.5039327156528897
Energy: 1.498309367971619
Energy: 1.4158955292794475
Energy: 1.4139156760753882

minimum gb energy = 1.3756864599494525 eV
minimum distance =  2.25014457951786 Angstroms
sigma value = 101


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

Energy: 2.1786029279760117
Energy: 1.3192575937893842
Energy: 1.394317313700936
Energy: 1.3937211487658323
Energy: 1.394438934633946
Energy: 1.711667698961584
Energy: 1.3181578950259756
Energy: 1.3308415976336678
Energy: 1.3264366070447347
Energy: 1.322296159743941
Energy: 1.3262841965855516
Energy: 1.3276958197733968
Energy: 1.3292811761593797
Energy: 1.3302204446217862
Energy: 1.3307089762175106
Energy: 1.3204958411661263
Energy: 1.3309392875948656
Energy: 1.3304469515990378
Energy: 1.3393018821816016
Energy: 1.329966352071799
Energy: 1.3261429034717886
Energy: 1.3227110214902968
Energy: 1.3313111136934348
Energy: 1.330021382686624
Energy: 1.3185887842860666
Energy: 1.3774324900868333
Energy: 1.3779013536946967
Energy: 1.3279449758400312
Energy: 1.3771074681961784
Energy: 1.551050117601465
Energy: 1.3388285737364098
Energy: 1.329376761550778
Energy: 1.3785219769388735
Energy: 1.3235242453726963
Energy: 1.3762949298380887
Energy: 1.3292467733440505
Energy: 1.3400334017061832
Energy: 1.445265219573661
Energy: 1.46100854226478
Energy: 1.5105802170239586
Energy: 1.4629112459779565
Energy: 1.4446952155248123
Energy: 1.339245357721082
Energy: 1.445278408797685
Energy: 1.3230651990987197
Energy: 1.3236600539661667
Energy: 1.4723427790592556
Energy: 1.3302369745744578
Energy: 1.3394578515738598
Energy: 1.4459475992136948
Energy: 1.4610385434324207
Energy: 1.3226106995244105
Energy: 1.4655299862644018
Energy: 1.4451799462012818
Energy: 1.340133975756143
Energy: 1.3301845611374092
Energy: 1.5115793391881411
Energy: 1.3224827903992187
Energy: 1.5100097615382184
Energy: 1.3302557087945315
Energy: 1.3399422279150632
Energy: 1.3762568204689838
Energy: 1.3796293994604838
Energy: 1.377177957781677
Energy: 1.3771308672440807
Energy: 1.3759082447441235
Energy: 1.3393968815281434
Energy: 1.379037130575353
Energy: 1.3281905484072196
Energy: 1.3230881323980606
Energy: 1.3260224568457673
Energy: 1.331002394669801
Energy: 1.3396575869950278
Energy: 1.3302451371540462
Energy: 1.3253257471070674
Energy: 1.3375010483351728
Energy: 1.3253374403012044
Energy: 1.3309650833792697
Energy: 1.3250019643566175
Energy: 1.32611305933583
Energy: 1.5242987714640162
Energy: 1.3370916605317595
Energy: 1.3267215460381714
Energy: 1.323432840553648
Energy: 1.3188785898156263
Energy: 1.3225675732699007
Energy: 1.3259857799738883
Energy: 1.3228035208780706
Energy: 1.3221623393153348
Energy: 1.3218084189231423
Energy: 1.3192106138355693
Energy: 1.326490342996904
Energy: 1.3241987615659032
Energy: 1.3254266867987885
Energy: 1.3259152433999613
Energy: 1.3270322205643108
Energy: 1.3928904981206403
Energy: 1.3262436112612095
Energy: 1.3185801050797503
Energy: 1.31786171777085
Energy: 1.3266193541093927
Energy: 1.3939344285340742
Energy: 1.3219971882574415
Energy: 1.3259776575168059
Energy: 1.3263690424125043
Energy: 1.3186449810991145
Energy: 1.3255830756939515
Energy: 1.3236884715404356
Energy: 1.3178565197460805
Energy: 1.3224469086644342
Energy: 1.330306353702333
Energy: 1.325690013339904
Energy: 1.330190493402737
Energy: 1.3197978526129424
Energy: 1.3506655042988445
Energy: 1.4696833566541274
Energy: 1.3304450358344306
Energy: 1.3395234602408814
Energy: 1.330196432167253
Energy: 1.3296134674273568
Energy: 1.3221681507343053
Energy: 1.3767479785890742
Energy: 1.3313710817652726
Energy: 1.5505461577778612
Energy: 1.3769482415860734
Energy: 1.322516199325655
Energy: 1.3229855398765473
Energy: 1.375834740161436
Energy: 1.3965992196904
Energy: 1.339365694695252
Energy: 1.3762996929993458
Energy: 1.3781600339505324
Energy: 1.3221228099041493
Energy: 1.4604934791934858
Energy: 1.4042431117872594
Energy: 1.330651787260221
Energy: 1.4673597483699603
Energy: 1.5097861087030566
Energy: 1.322881238733607
Energy: 1.4604545801092017
Energy: 1.4449135649148486
Energy: 1.3389657162211752
Energy: 1.4455555120694454
Energy: 1.3252769817276306
Energy: 1.3219498624049866
Energy: 1.4659980867879783
Energy: 1.4443979113912075
Energy: 1.4050330227853196
Energy: 1.4452648566033859
Energy: 1.4642935215782933
Energy: 1.3228424677164856
Energy: 1.5099930689188963
Energy: 1.3295345530244438
Energy: 1.3399575541828213
Energy: 1.4652582345382879
Energy: 1.5109417215763314
Energy: 1.3230894870144365
Energy: 1.3784567909089063
Energy: 1.3776735340826867
Energy: 1.339897907771074
Energy: 1.3785243396700737
Energy: 1.3784150162800741
Energy: 1.322851370349602
Energy: 1.325594843056661
Energy: 1.376538277208157
Energy: 1.3399664670919098
Energy: 1.3965984265855924
Energy: 1.3264089306377467
Energy: 1.337272792119129
Energy: 1.3310146569842003
Energy: 1.3323271010375404
Energy: 1.3397950588683265
Energy: 1.3304768844350872
Energy: 1.3298581630045982
Energy: 1.3374601399967185
Energy: 1.3254793352730974
Energy: 1.3316659496697643
Energy: 1.3251993277714893
Energy: 1.3229087119015133
Energy: 1.326222053362775
Energy: 1.323262341625828
Energy: 1.324809450073007
Energy: 1.3252775572019313
Energy: 1.3188411200562395
Energy: 1.3254919736877084
Energy: 1.323978832530757
Energy: 1.3249080699141453
Energy: 1.324735245990577
Energy: 1.3253129177514034
Energy: 1.3190121876025909
Energy: 1.323692502068434
Energy: 1.3274524062517603
Energy: 1.351410710851946
Energy: 1.3261108628969696
Energy: 1.3258910857109318
Energy: 1.3929875849299083
Energy: 1.3277622604479355
Energy: 1.3193711447630927

minimum gb energy = 1.3178565197460805 eV
minimum distance =  2.27005683770329 Angstroms
sigma value = 33


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

Energy: 0.01489180304246863
Energy: 0.01570166737473882
Energy: 0.09264120981310973
Energy: 0.08763615974994587
Energy: 0.08863521255710372
Energy: 0.015829918897074965
Energy: 0.015021073950420778
Energy: 0.10502948899792833
Energy: 0.10518417520759564
Energy: 0.10631072837897283
Energy: 0.10486925736873046
Energy: 0.10602006837902186
Energy: 0.9468530278459951
Energy: 0.0902725269276483
Energy: 0.01560212753800066
Energy: 0.016819199256757247
Energy: 0.08926608417967338
Energy: 0.08777881610961429
Energy: 0.10521832754364582
Energy: 0.10502948899792833
Energy: 0.10518417520759564
Energy: 0.10631072837830641
Energy: 0.10486925736802483
Energy: 0.10602006837968829

minimum gb energy = 0.01489180304246863 eV
minimum distance =  2.45578199127572 Angstroms
sigma value = 1