Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_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=2.855258293449879
cohesive_energy=4.134425479783591
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7453631597805798e-19, 2.4881002037703e-19, 3.0979046524370396e-19, 3.65185722364254e-19, 4.10527321106454e-19, 4.46632371553644e-19, 4.75586907683292e-19, 4.99666020315678e-19, 5.20914086835786e-19, 5.4047826571356e-19, 5.5863893785995e-19, 5.75346435799302e-19, 5.905110376401119e-19, 6.040702584936539e-19, 6.16035313596366e-19, 6.26460676953804e-19, 6.354152421612299e-19, 6.429695049905399e-19, 6.491859503304599e-19, 6.54130267422984e-19, 6.57860134626936e-19, 6.60426821594604e-19, 6.618944153913479e-19, 6.623558422619399e-19, 6.6188320015491e-19, 6.6040919765163e-19, 6.57842510683962e-19, 6.540693847108919e-19, 6.48939215128824e-19, 6.42242116798704e-19, 6.337409675786999e-19, 6.2316660179429995e-19, 6.10224218944848e-19, 5.94492446575602e-19, 5.75348037975936e-19, 5.521901769080999e-19, 5.24253022941042e-19, 4.90096219280796e-19, 4.4723158561476e-19, 3.9274796699895597e-19, 3.17769304881024e-19, 1.8924910400808e-19, -4.39230315504564e-20, -4.54656072136716e-19, -1.086741991252494e-18, -1.9495926153165598e-18, -3.1136059834502397e-18, -4.6934162316396e-18, -6.942055115692259e-18, -1.0137980934597419e-17, -1.4493530157659098e-17, -2.03955483331566e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012779446266635812
Energy: 0.013214699691140306
Energy: 0.21424287765260622
Energy: 0.2142289486380666
Energy: 0.21508901643529874
Energy: 0.01290680149153115
Energy: 0.013214699432694077
Energy: 0.9961027678559707
Energy: 0.21426674125232972
Energy: 0.21426107819844697
Energy: 0.2143103252270744
Energy: 0.21430329808123919
Energy: 0.2142428697252276
Energy: 0.21420038312246545
Energy: 0.9967151136816814
Energy: 0.013230641014284955
Energy: 0.21425616316217974
Energy: 0.21433238858125422
Energy: 0.21422796922064635
Energy: 0.21426108216828046
Energy: 0.013230641007414652
Energy: 0.012922732328528717
Energy: 0.21483521090766045
Energy: 0.21422419098393394
Energy: 0.21508901663180052
Energy: 0.2143103263040361
Energy: 0.21425616316120227
Energy: 0.21483521090766045
Energy: 0.9961842442326198
Energy: 0.2143471484546136
Energy: 0.012906801492033854
Energy: 0.21430329843941648
Energy: 0.21433009262193775
Energy: 0.21422428635955681
Energy: 0.21434715473116486
Energy: 0.012967643096972348

minimum gb energy = 0.012779446266635812 eV
minimum distance =  2.47134270216879 Angstroms
sigma value = 1


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

Energy: 1.8769812267036874
Energy: 1.3184717844878948
Energy: 1.3001383337166361
Energy: 1.2960234734628246
Energy: 1.2959007833908418
Energy: 1.316156709351496
Energy: 1.3683590601903626
Energy: 1.371958360934283
Energy: 1.2644510270715985
Energy: 1.264920287077808
Energy: 1.3569919590560058
Energy: 1.3663247891378338
Energy: 1.2814567289074172
Energy: 1.268136110762262
Energy: 1.370961684514799
Energy: 1.3168726723199466
Energy: 1.2583747996686119
Energy: 1.2598670279259208
Energy: 1.2585523934763048
Energy: 1.2780992264764168
Energy: 1.3378976261094448
Energy: 1.4771334982624937
Energy: 1.292337741916056
Energy: 1.263816661006645
Energy: 1.2973855986302103
Energy: 1.3684839046971287
Energy: 1.3488312287992243
Energy: 1.3693688993360364
Energy: 1.3510674623658754
Energy: 1.3235984987191771
Energy: 1.3075753219928925
Energy: 1.3367647934630236
Energy: 1.338889181712693
Energy: 1.2668869503319589
Energy: 1.3371577008606317
Energy: 1.3370603450843797
Energy: 1.309805925541767
Energy: 1.3364115785960273
Energy: 1.3371471069148864
Energy: 1.40640362217989
Energy: 1.3377644348840925
Energy: 1.336901945602415
Energy: 1.3725503096433331
Energy: 1.371882952821549
Energy: 1.2647606704223442
Energy: 1.3681150123345895
Energy: 1.4094041922795049
Energy: 1.372337419023535
Energy: 1.1870950325967775
Energy: 1.3369229427683256
Energy: 1.3372504299503505
Energy: 1.2653488336947567
Energy: 1.3379625367579902
Energy: 1.3369483345302904
Energy: 1.187204963810929
Energy: 1.3375337445496733
Energy: 1.379763807820384
Energy: 1.3258322908255837
Energy: 1.3370332838032921
Energy: 1.3475912159031596
Energy: 1.3744881520497823
Energy: 1.3732138791271258
Energy: 1.3532115072341329
Energy: 1.3696148988455552
Energy: 1.3539196853695656
Energy: 1.3722507329135911
Energy: 1.2606094040674383
Energy: 1.258989143546184
Energy: 1.3221671149139056
Energy: 1.3673683607233218
Energy: 1.2704980134996056
Energy: 1.2593474958163202
Energy: 1.2657252822152643
Energy: 1.2581039371406253
Energy: 1.3095614710034469
Energy: 1.366294509103504
Energy: 1.267166307005242
Energy: 1.3212106198219464
Energy: 1.3691343944236831
Energy: 1.3563430186159333
Energy: 1.3489005973334216
Energy: 1.2066803048042407
Energy: 1.3523799225209976
Energy: 1.362302302222816
Energy: 1.2960229808149657
Energy: 1.2628100750883537
Energy: 1.258551080241529
Energy: 1.3276409801135005
Energy: 1.2580601133733722
Energy: 1.3372490405058672
Energy: 1.3197114719652074
Energy: 1.2712477407235918
Energy: 1.2656178306911787
Energy: 1.2612109535643452
Energy: 1.2599044425689405
Energy: 1.3713697528540632
Energy: 1.3687993523137836
Energy: 1.356675121855104
Energy: 1.3039274327178814
Energy: 1.3722134121582825
Energy: 1.340486497294113
Energy: 1.3542696098143552
Energy: 1.2654909074150238
Energy: 1.3405500692272756
Energy: 1.3366422862897065
Energy: 1.3364996999925662
Energy: 1.3406240619370504
Energy: 1.4097094523857214
Energy: 1.264860021478261
Energy: 1.3417420079394589
Energy: 1.4170264280498577
Energy: 1.3022161669353505
Energy: 1.3403247841294323
Energy: 1.3720745910694927
Energy: 1.2809453401391848
Energy: 1.3376032062604446
Energy: 1.3719086819845692
Energy: 1.3729114947974665
Energy: 1.3372800751556102
Energy: 1.4082151851288822
Energy: 1.2656937948140285
Energy: 1.3370809216839765
Energy: 1.3442181870500451
Energy: 1.34522023867216
Energy: 1.3383227065265773
Energy: 1.3378632813025322
Energy: 1.3684550461179905
Energy: 1.3380169171833738
Energy: 1.3369027903140527
Energy: 1.1902636363167476
Energy: 1.3371644370746167
Energy: 1.3594066647307954
Energy: 1.370899079518354
Energy: 1.3710482515375455
Energy: 1.3231994484789642
Energy: 1.260095414875805
Energy: 1.3546909659582402
Energy: 1.3493096374230173

minimum gb energy = 1.1870950325967775 eV
minimum distance =  2.16467615544996 Angstroms
sigma value = 33


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

Energy: 2.3990053896973085
Energy: 1.3302117645555886
Energy: 1.3415861681618586
Energy: 1.3220838429952837
Energy: 1.2860430616006893
Energy: 1.3991599363864733
Energy: 1.4984775663157013
Energy: 1.5679884178456027
Energy: 1.2938631201056052
Energy: 1.3070601322316804
Energy: 1.3067570476136108
Energy: 1.3828304539765577
Energy: 1.4357567777307856
Energy: 1.3556124366803888
Energy: 1.3700126151321226
Energy: 1.3212487188112034
Energy: 1.3573710262699608
Energy: 1.431991036049257
Energy: 1.381899664594747
Energy: 1.3553928561006323
Energy: 1.3538637184432933
Energy: 1.4057717104922254
Energy: 1.3637460136264532
Energy: 1.424470122226934
Energy: 1.423371818320067
Energy: 1.3554683844957685
Energy: 1.4198446935231874
Energy: 1.4648946902177522
Energy: 1.5774650209599217
Energy: 1.4284026553899145
Energy: 1.30421545397568
Energy: 1.4139583527853963
Energy: 1.4109964841819302
Energy: 1.3010129489041173
Energy: 1.4123808328211296
Energy: 1.4116848136083677
Energy: 1.3085574550041266
Energy: 1.4123311051994198
Energy: 1.4119756610800474
Energy: 1.5449755336910933
Energy: 1.412931834965106
Energy: 1.413282676406763
Energy: 1.3990400113768202
Energy: 1.4042316286353047
Energy: 1.4142355028042914
Energy: 1.3999775719115692
Energy: 1.4116883990039732
Energy: 1.389188265330608
Energy: 1.3963146092527328
Energy: 1.3540526169932618
Energy: 1.3633942136155208
Energy: 1.3871593891524119
Energy: 1.354668141660645
Energy: 1.4615046741185456
Energy: 1.2380600902986663
Energy: 1.3557478654885846
Energy: 1.3911602140542314
Energy: 1.4389016463203121
Energy: 1.3542341269989921
Energy: 1.39144407568782
Energy: 1.396282159149428
Energy: 1.3993392452387443
Energy: 1.3561819690983983
Energy: 1.3804124960216353
Energy: 1.3579010178723754
Energy: 1.405143895244106
Energy: 1.3155453332895084
Energy: 1.2919539478288649
Energy: 1.2868794111363002
Energy: 1.2720720371084062
Energy: 1.3091217449002328
Energy: 1.2880724702735824
Energy: 1.274402377303843
Energy: 1.286793279453599
Energy: 1.289812696406902
Energy: 1.272098684529215
Energy: 1.29115308844312
Energy: 1.2927687953978684
Energy: 1.3494212079523793
Energy: 1.4287105750011784
Energy: 1.3644675228585503
Energy: 1.4353672418677217
Energy: 1.3553054646430793
Energy: 1.4277902231018074
Energy: 1.2976594026797101
Energy: 1.4014331468471126
Energy: 1.4362277597275732
Energy: 1.4389791371945204
Energy: 1.4016342882674364
Energy: 1.402242046742138
Energy: 1.3201764437315369
Energy: 1.403549493627999
Energy: 1.4124653434235173
Energy: 1.5041379023710961
Energy: 1.399994798938672
Energy: 1.4733053513541057
Energy: 1.4300937517032954
Energy: 1.4273795211760656
Energy: 1.4955726348176273
Energy: 1.438544333071704
Energy: 1.4364910950599206
Energy: 1.4284030256480238
Energy: 1.2422107835431895
Energy: 1.4012830715165032
Energy: 1.4006670136107626
Energy: 1.505195546627691
Energy: 1.4004776009021656
Energy: 1.4075380175983094
Energy: 1.2401728028886732
Energy: 1.3988825161665488
Energy: 1.4006779400511533
Energy: 1.4272759949597889
Energy: 1.4001894058448416
Energy: 1.4004930669463072
Energy: 1.2764452576896976
Energy: 1.3295410899513262
Energy: 1.3850846528643546
Energy: 1.6264491760985715
Energy: 1.5659442587509902
Energy: 1.275888590449012
Energy: 1.278321461408949
Energy: 1.2897739192690663
Energy: 1.3203994269797552
Energy: 1.3900541216282514
Energy: 1.2870084028268567
Energy: 1.334985601967974
Energy: 1.3020337257098353
Energy: 1.2858653682142662
Energy: 1.4225069542048465
Energy: 1.3920702813290233
Energy: 1.2849467923261206
Energy: 1.315812942032617
Energy: 1.4643730636679033
Energy: 1.5770061436624732
Energy: 1.3578685712573302
Energy: 1.4322008090068434
Energy: 1.3542770572791467
Energy: 1.407015512975363
Energy: 1.2734188458123787
Energy: 1.3598609534618677
Energy: 1.35697994220767
Energy: 1.4030641626654006
Energy: 1.3547717615425563
Energy: 1.4051855560596074
Energy: 1.4637588717734675
Energy: 1.5776200478301734
Energy: 1.4243885775979426
Energy: 1.4153443712847282
Energy: 1.3621701322584454
Energy: 1.4254265280518554
Energy: 1.4008531648382296
Energy: 1.4136053143194267
Energy: 1.4138824154284795
Energy: 1.3156286721522261
Energy: 1.4133677794054755
Energy: 1.413838852179072
Energy: 1.3526985204952975
Energy: 1.4108945380857225
Energy: 1.4128254845129549
Energy: 1.4117032384990897
Energy: 1.411872368669449
Energy: 1.4106183605951788
Energy: 1.302070757518969
Energy: 1.4145442042924448
Energy: 1.3895524276650653
Energy: 1.4004862735819437
Energy: 1.4135480865514825
Energy: 1.506106686949566
Energy: 1.3978042190331081
Energy: 1.3559290429546285
Energy: 1.4596479735071521
Energy: 1.4452760621429286
Energy: 1.3617074009018968
Energy: 1.4465385173338243
Energy: 1.4067958774714677
Energy: 1.3998579049373834
Energy: 1.386980618914692
Energy: 1.4403868408059246
Energy: 1.3545478504696882
Energy: 1.4581590698190807
Energy: 1.3821967942063824
Energy: 1.36112988174224
Energy: 1.4061491715964087
Energy: 1.4658774265836236
Energy: 1.576768309495391
Energy: 1.4055925811466126
Energy: 1.4499802871626613
Energy: 1.28912070098256
Energy: 1.2908865932654912
Energy: 1.3135221675004567
Energy: 1.28455335684115
Energy: 1.5792734819757699
Energy: 1.272630912178165
Energy: 1.28467032466787
Energy: 1.2872238782597816
Energy: 1.2751025365495037
Energy: 1.2898021129792672
Energy: 1.3568594930432691
Energy: 1.4334978571331778
Energy: 1.3770180486286698
Energy: 1.3489038357280572
Energy: 1.3441817165477874
Energy: 1.393879319217398
Energy: 1.3761479514794288
Energy: 1.4270393299455513
Energy: 1.4000226737594414
Energy: 1.4000404472011163
Energy: 1.2977060540030148
Energy: 1.402632467486345
Energy: 1.4650577532238274
Energy: 1.4022679340681803
Energy: 1.4007247615461573
Energy: 1.4001228444924756
Energy: 1.328669466376065
Energy: 1.4010068951356627
Energy: 1.4237036355350123
Energy: 1.3849657076727102
Energy: 1.4495390431018322
Energy: 1.4265413800960765
Energy: 1.43040879977856
Energy: 1.4267372785424814
Energy: 1.4355774805384998
Energy: 1.407241093549924
Energy: 1.4011185870659169
Energy: 1.3999682608522426
Energy: 1.2413398438070404
Energy: 1.3994671157444432
Energy: 1.4122275694305615
Energy: 1.4387417174504165
Energy: 1.3995304539505549
Energy: 1.3993624108020917
Energy: 1.3644398146212005
Energy: 1.40931087530286
Energy: 1.439710560277656
Energy: 1.4341229839322198
Energy: 1.3543362840743765
Energy: 1.399248865426489
Energy: 1.2758329499251988
Energy: 1.3776848583406962
Energy: 1.3555279749507076
Energy: 1.305976791823946
Energy: 1.2931351399891715
Energy: 1.2882313713174367
Energy: 1.2760536756266743
Energy: 1.2887272156596579
Energy: 1.3912241918319697

minimum gb energy = 1.2380600902986663 eV
minimum distance =  2.17316572567563 Angstroms
sigma value = 51


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

Energy: 2.237340640154773
Energy: 1.4142513997010064
Energy: 1.3401960860329594
Energy: 1.4038931232618663
Energy: 1.340914060882494
Energy: 1.4141454841921475
Energy: 1.2632337940863203
Energy: 1.435092053289899
Energy: 1.3425012708612312
Energy: 1.423719662074008
Energy: 1.3387574033284741
Energy: 1.3425321641684627
Energy: 1.4195196299135133
Energy: 1.3377993018464627
Energy: 1.338841998363597
Energy: 1.3986670816482039
Energy: 1.3393159724956099
Energy: 1.3408792777029552
Energy: 1.400874175949417
Energy: 1.3415411371989612
Energy: 1.3383106881907645
Energy: 1.385660346562194
Energy: 1.3377771475664342
Energy: 1.3383015353847403
Energy: 1.417813305200271
Energy: 1.3394488709862662
Energy: 1.3492196210358438
Energy: 1.3984489121355108
Energy: 1.469090084787314
Energy: 1.3512016112961975
Energy: 1.4172627147105186
Energy: 1.4264526545638145
Energy: 1.4239104125972057
Energy: 1.4229209947119819
Energy: 1.426700603090482
Energy: 1.4259412011057078
Energy: 1.4189720229403142
Energy: 1.4258780136712845
Energy: 1.4281010288237777
Energy: 1.5359906813516897
Energy: 1.4271994339327776
Energy: 1.426937852262608
Energy: 1.4239343256767534
Energy: 1.3414495418640628
Energy: 1.422562294551216
Energy: 1.4237578307306922
Energy: 1.4261746712103023
Energy: 1.345109722987391
Energy: 1.2331198918937554
Energy: 1.3382884996931006
Energy: 1.3380615082249903
Energy: 1.3965963216274395
Energy: 1.3378568906586823
Energy: 1.4014854131988415
Energy: 1.2323446871249508
Energy: 1.3376888397168207
Energy: 1.4288798770202105
Energy: 1.423693181217396
Energy: 1.3393886319979702
Energy: 1.4017825123087573
Energy: 1.4392101017303187
Energy: 1.4555437417476709
Energy: 1.3424588781373776
Energy: 1.4285131986459874
Energy: 1.3690564385773523
Energy: 1.3391468664870076
Energy: 1.4315438039643376
Energy: 1.3390177730626307
Energy: 1.3379329958593917
Energy: 1.3851953709699205
Energy: 1.3399305328263222
Energy: 1.338128978564127
Energy: 1.399009408094648
Energy: 1.338726322737732
Energy: 1.3398531117439356
Energy: 1.3856225258122894
Energy: 1.337596311106056
Energy: 1.339426162073418
Energy: 1.3985768388498976
Energy: 1.3494087491964721
Energy: 1.3687467462999177
Energy: 1.524163657316086
Energy: 1.3703828524741561
Energy: 1.434731939239648
Energy: 1.4179052537995347
Energy: 1.4261765284528503
Energy: 1.4260146882454479
Energy: 1.5840978269961665
Energy: 1.4262294427290807
Energy: 1.4260591528028506
Energy: 1.4285035992622148
Energy: 1.4266651450095804
Energy: 1.4256497835143878
Energy: 1.53306560487794
Energy: 1.4258479496225644
Energy: 1.4277440903350311
Energy: 1.4238321474859497
Energy: 1.4554761765361426
Energy: 1.432954351288287
Energy: 1.5311737377334549
Energy: 1.3452523042762503
Energy: 1.368609214270354
Energy: 1.2334539876182948
Energy: 1.33984530673702
Energy: 1.339229259689984
Energy: 1.3955958602921925
Energy: 1.3395172830799549
Energy: 1.4006405571119807

minimum gb energy = 1.2323446871249508 eV
minimum distance =  2.17875980937084 Angstroms
sigma value = 19


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

Energy: 2.0811251008109424
Energy: 1.437691447941589
Energy: 1.4027261041563144
Energy: 1.4048191938297403
Energy: 1.3725152536459508
Energy: 1.437231521597867
Energy: 1.3750649052244597
Energy: 1.5412460941235884
Energy: 1.374976258848961
Energy: 1.4061388591794979
Energy: 1.4123326188466139
Energy: 1.5259281427483888
Energy: 1.4347081325009774
Energy: 1.4718583751717618
Energy: 1.5229552199374101
Energy: 1.376861306544094
Energy: 1.475828577174049
Energy: 1.5377498029652488
Energy: 1.5830949802025696
Energy: 1.4730943670782677
Energy: 1.4726473539051745
Energy: 1.544250860362232
Energy: 1.4726530647381737
Energy: 1.5408406637532903
Energy: 1.575081157685536
Energy: 1.5244346550789711
Energy: 1.437978309304749
Energy: 1.3770947237468887
Energy: 1.5934884787223786
Energy: 1.5535786740293562
Energy: 1.5709874310023573
Energy: 1.485656002019891
Energy: 1.5495589446683073
Energy: 1.376961978297628
Energy: 1.523822697040383
Energy: 1.5415011133221725
Energy: 1.580972284646801
Energy: 1.4964329467762654
Energy: 1.516996940286636
Energy: 1.5041405409139137
Energy: 1.4837028611856897
Energy: 1.5381316115540409
Energy: 1.4982745433693327
Energy: 1.4727057702952628
Energy: 1.5279037981031107
Energy: 1.3772607642961645
Energy: 1.5227923804126664
Energy: 1.4978581493881085
Energy: 1.4447552234368526
Energy: 1.4145077513134523
Energy: 1.37145597874662
Energy: 1.4033489976609574
Energy: 1.372287484209791
Energy: 1.5252315041370468
Energy: 1.3732916169050136
Energy: 1.3710421713836312
Energy: 1.3748011248176606
Energy: 1.3901398509797556
Energy: 1.374300143316826
Energy: 1.472848484704714
Energy: 1.434134829478218
Energy: 1.522878505198984
Energy: 1.4123473903987966
Energy: 1.41841172912461
Energy: 1.4136249843545001
Energy: 1.5911607078576933
Energy: 1.4328469703931646
Energy: 1.5563790423196706
Energy: 1.5150598747271329
Energy: 1.539421109156761
Energy: 1.5113571522034828
Energy: 1.5368010962516845
Energy: 1.6441047215322504
Energy: 1.5176014669649924
Energy: 1.514174152278858
Energy: 1.5369413908927883
Energy: 1.511818436211962
Energy: 1.5819349319214808
Energy: 1.4445305451135766
Energy: 1.5565660089644913
Energy: 1.472997032572822
Energy: 1.4371382934033499
Energy: 1.5229603712799804
Energy: 1.5373153396675128
Energy: 1.390348740374029
Energy: 1.37100233903121
Energy: 1.494893315790828
Energy: 1.374333519506421
Energy: 1.4123549430248512
Energy: 1.3714641405255767
Energy: 1.4035675126752023
Energy: 1.370775764900658
Energy: 1.4198097836251928
Energy: 1.375806086478893
Energy: 1.3716223965056822
Energy: 1.4036321546639057
Energy: 1.3773682616692027
Energy: 1.4702944464166212
Energy: 1.5233294251418257
Energy: 1.4367165277712826
Energy: 1.5230493381346428
Energy: 1.413385584067343
Energy: 1.5299401522202631
Energy: 1.472954390894086
Energy: 1.5384462990368575
Energy: 1.5840201085877308
Energy: 1.472275432941861
Energy: 1.4725384714694914
Energy: 1.5291847694719656
Energy: 1.4726891446854966
Energy: 1.4721105054506327
Energy: 1.5748091137545581
Energy: 1.4726044739813122
Energy: 1.5240519334179754
Energy: 1.3768345345445996
Energy: 1.5308086524223667
Energy: 1.527739949416906
Energy: 1.5191638343809866
Energy: 1.6198854359258632
Energy: 1.5805718754374967
Energy: 1.3743335032252078
Energy: 1.5230286861077953
Energy: 1.5197916370836881
Energy: 1.5631083890804964
Energy: 1.4724035584319473
Energy: 1.5492290140088232
Energy: 1.3744658518457233
Energy: 1.4725411198956027
Energy: 1.4966024568259493
Energy: 1.5785632037885746
Energy: 1.4966003548333489
Energy: 1.5042783983931183
Energy: 1.3466250252239451
Energy: 1.4135751447434142
Energy: 1.4982248430311387
Energy: 1.433992320592223
Energy: 1.5231613761580185
Energy: 1.4142776609190764
Energy: 1.4034291766473215
Energy: 1.3718573817864508
Energy: 1.472433281732582
Energy: 1.3731087216574314
Energy: 1.370681861132337
Energy: 1.4021048132105587
Energy: 1.3901305483354363
Energy: 1.3732396501892374
Energy: 1.4141432846365465
Energy: 1.3731278286518651
Energy: 1.3724238090960907
Energy: 1.3713488243331602
Energy: 1.4430613177554616
Energy: 1.5495968867084104
Energy: 1.4978359402325914
Energy: 1.4320111587700632
Energy: 1.523289546590446
Energy: 1.4672947007466517
Energy: 1.5383485496381952
Energy: 1.5140700746161149
Energy: 1.5570621502612365
Energy: 1.5349758640675204
Energy: 1.5117928195511479
Energy: 1.511993944786632
Energy: 1.49885789461423
Energy: 1.5260515466908076
Energy: 1.5206317975322063
Energy: 1.640582890993758
Energy: 1.5121460527920159
Energy: 1.5372436661534243
Energy: 1.4381131345264626
Energy: 1.5232583523370045
Energy: 1.4128145386839506
Energy: 1.4498086856529633
Energy: 1.4398283374668845
Energy: 1.5530215805355614
Energy: 1.3765782384735061
Energy: 1.37035028612407
Energy: 1.3742405558618636
Energy: 1.3894052841681372
Energy: 1.3719268621259841
Energy: 1.418773982579978

minimum gb energy = 1.3466250252239451 eV
minimum distance =  2.16917273341426 Angstroms
sigma value = 27


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

Energy: 1.6962583688102462
Energy: 1.417280453073235
Energy: 1.5485459419813066
Energy: 1.282973001412264
Energy: 1.487482104745597
Energy: 1.440758572517472
Energy: 1.262346209367679
Energy: 1.5006658725252113
Energy: 1.4411447473370171
Energy: 1.2834508025850937
Energy: 1.3883181239840419
Energy: 1.5009224585848289
Energy: 1.284090948987851
Energy: 1.390170621517829
Energy: 1.3909999881860529
Energy: 1.2832311511489756
Energy: 1.3909334552528312
Energy: 1.4416775430754885
Energy: 1.314331656439268
Energy: 1.3852423917379526
Energy: 1.3885085706086904
Energy: 1.4415050277720975
Energy: 1.3875465789178347
Energy: 1.3835037288242718
Energy: 1.2818821515437755
Energy: 1.3836949847478435
Energy: 1.5322495440290564
Energy: 1.2853816906283602
Energy: 1.426764155208223
Energy: 1.3811184359482922
Energy: 1.3152441507556052
Energy: 1.3860818094392249
Energy: 1.501021369474985
Energy: 1.2837728968297326
Energy: 1.426268405809089
Energy: 1.4488850887423528
Energy: 1.2823289775140938
Energy: 1.487310298476013
Energy: 1.4172852884429816
Energy: 1.6992872057583268
Energy: 1.3850974116399033
Energy: 1.546939293681999
Energy: 1.282404134787615
Energy: 1.44159254764578
Energy: 1.5016530698578363
Energy: 1.284101954103094
Energy: 1.4220458542966168
Energy: 1.4409787560989005
Energy: 1.2829756302717499
Energy: 1.3881068488027328
Energy: 1.388595163409626
Energy: 1.2835730815535724
Energy: 1.390196346972867
Energy: 1.424015695902599
Energy: 1.2772603671752898
Energy: 1.386317771583472
Energy: 1.3827305632352502
Energy: 1.443675359363001
Energy: 1.3869198593121475
Energy: 1.3869581169239207
Energy: 1.2849236803221542
Energy: 1.427676953175171
Energy: 1.3834888244767043
Energy: 1.2823299665439265
Energy: 1.5089694325856418
Energy: 1.609782164897581
Energy: 1.2840873845229566
Energy: 1.5002156497378512
Energy: 1.3865581644607219
Energy: 1.3153752244729964
Energy: 1.3852584047132706
Energy: 1.5021388756962586

minimum gb energy = 1.262346209367679 eV
minimum distance =  2.20463828631725 Angstroms
sigma value = 9


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

Energy: 1.442106228708354
Energy: 1.4577770168768172
Energy: 1.4737848089907164
Energy: 1.457352422126771
Energy: 1.4996505716470887
Energy: 1.5109836259525156
Energy: 1.4553125898482893
Energy: 1.5840295519997534
Energy: 1.402811450565025
Energy: 1.4095541584568219
Energy: 1.4316479683621908
Energy: 1.4553297996270511
Energy: 1.485672446135306
Energy: 1.556514889187333
Energy: 1.5575077741189083
Energy: 1.5115305820248783
Energy: 1.5488376611510426
Energy: 1.5810770115714545
Energy: 1.312522051909602
Energy: 1.5580466078752584
Energy: 1.556455350044426
Energy: 1.4084843852404259
Energy: 1.5472701406805156
Energy: 1.5795704599260154
Energy: 1.4903391248854072
Energy: 1.5570624643066824
Energy: 1.55633453979301
Energy: 1.479481162454973
Energy: 1.5574087436203674
Energy: 1.576848961112916
Energy: 1.419234147176841
Energy: 1.4169166872551968
Energy: 1.598025391738864
Energy: 1.4444533917748865
Energy: 1.4813999900198496
Energy: 1.3873091109526057
Energy: 1.3644978091674254
Energy: 1.419885444933855
Energy: 1.4967851043089604
Energy: 1.5650473244192513
Energy: 1.4761640570341552
Energy: 1.3782197979068511
Energy: 1.3431354158186941
Energy: 1.4075207725552128
Energy: 1.5958582737756841
Energy: 1.44433714893007
Energy: 1.46430430071802
Energy: 1.3428173150811205
Energy: 1.3757716951440884
Energy: 1.5344689095829207
Energy: 1.5852600557634777
Energy: 1.493018910677794
Energy: 1.5419096529673617
Energy: 1.5697451563690057
Energy: 1.366189882754738
Energy: 1.5370147990916585
Energy: 1.5396537334791847
Energy: 1.4736418932183906
Energy: 1.5222636179103193
Energy: 1.5655094850285003
Energy: 1.4464969100852079
Energy: 1.5353258989003689
Energy: 1.5289887372801327
Energy: 1.5763283586298806
Energy: 1.5253575523680603
Energy: 1.4370317047670256
Energy: 1.4609253185954383
Energy: 1.6150882668306215
Energy: 1.4800238416832014
Energy: 1.4810877646080405
Energy: 1.4806061547992129
Energy: 1.4565903177507835
Energy: 1.541479003160428
Energy: 1.4888782987177926
Energy: 1.4873688652247852
Energy: 1.4046622187755153
Energy: 1.5025524165968223
Energy: 1.5543656282228036
Energy: 1.4658716983530118
Energy: 1.5663592353234654
Energy: 1.4815009268755972
Energy: 1.433018149982452
Energy: 1.483489569985204
Energy: 1.5778065472420961
Energy: 1.4386675702334542
Energy: 1.613214160562394
Energy: 1.4286487700247725
Energy: 1.435514013070882
Energy: 1.547326615155606
Energy: 1.5538517715852365
Energy: 1.597648434658729
Energy: 1.4878610243812223
Energy: 1.487579404519267
Energy: 1.4369329607143162
Energy: 1.4766937068218149
Energy: 1.4951065650860216
Energy: 1.454579428175354
Energy: 1.50853248349314
Energy: 1.5287087379737987
Energy: 1.4666364173672928
Energy: 1.4802312109493176
Energy: 1.5322166353061306
Energy: 1.436529554152678
Energy: 1.5213249361914658
Energy: 1.5590404682047754
Energy: 1.5145132115741238
Energy: 1.5209363350952885
Energy: 1.3731501222206781
Energy: 1.377880580836457
Energy: 1.5470416228421158
Energy: 1.5563993313405782
Energy: 1.5134587844211727
Energy: 1.530033310700484
Energy: 1.5667441071174697
Energy: 1.453078858117315
Energy: 1.5240629851744147
Energy: 1.5942272707134075
Energy: 1.4462269641439067
Energy: 1.5203596717868837
Energy: 1.5636079382740666
Energy: 1.3604814053754017
Energy: 1.379113393825445
Energy: 1.578425862115772
Energy: 1.4679055362383957
Energy: 1.586960734656771
Energy: 1.370922703093509
Energy: 1.3504436741830987
Energy: 1.4319488184111782
Energy: 1.4832036629003924
Energy: 1.4321048863249293
Energy: 1.4063230539892158
Energy: 1.3818574056709354
Energy: 1.3717954761754787
Energy: 1.424563490169057
Energy: 1.5743136432957288
Energy: 1.4920450275965682
Energy: 1.4081539144554311
Energy: 1.3836181344379137
Energy: 1.4637737255923704
Energy: 1.5578356525276067
Energy: 1.5582658710089834
Energy: 1.4684451279264492
Energy: 1.5485251096976678
Energy: 1.397060385397185
Energy: 1.5024032552708018
Energy: 1.581371552069599
Energy: 1.5785137888619099
Energy: 1.4216634657727367
Energy: 1.558184024314197
Energy: 1.598562018058412
Energy: 1.4817525335274806
Energy: 1.558375866683809
Energy: 1.572898203603163
Energy: 1.311850859948782
Energy: 1.5471266679430735
Energy: 1.6127532165180587
Energy: 1.4749008691850471
Energy: 1.626278360756394
Energy: 1.411027908600968
Energy: 1.4454210351281533
Energy: 1.4810109427772327
Energy: 1.5592739066802648
Energy: 1.4664087894895244
Energy: 1.4254815300851946
Energy: 1.4023165297967548
Energy: 1.4028944716605303
Energy: 1.4334971978296944
Energy: 1.4776432392161611
Energy: 1.4811750677052573
Energy: 1.3891367076505994
Energy: 1.408342949442362
Energy: 1.3502550206046793
Energy: 1.415763496944049
Energy: 1.566166380003357
Energy: 1.471182835640605
Energy: 1.5889738789783763
Energy: 1.439015493261464
Energy: 1.359768031804559
Energy: 1.5484745185846367
Energy: 1.5857539297040955
Energy: 1.5979609718691192
Energy: 1.521002284894901
Energy: 1.542122389675546
Energy: 1.462167589493208
Energy: 1.5255143519494696
Energy: 1.6061034963712963
Energy: 1.5773008484950213
Energy: 1.522601654415979
Energy: 1.5730655112464333
Energy: 1.350458470700584
Energy: 1.5327732262803078
Energy: 1.5437232187386423
Energy: 1.4920119062328185
Energy: 1.4819366694930902
Energy: 1.5667822047267657
Energy: 1.431364647778372
Energy: 1.5420330468996184
Energy: 1.4537134609623623
Energy: 1.4520234182310827
Energy: 1.4772698404914892
Energy: 1.486438671556754
Energy: 1.4686239377647399
Energy: 1.4892760382689187
Energy: 1.5271198975283935
Energy: 1.4355471345115445
Energy: 1.4723909677366618
Energy: 1.5351479316845125
Energy: 1.5376583029141373
Energy: 1.4926254264324201
Energy: 1.4666181499534086
Energy: 1.3979392612389179
Energy: 1.5400585632596515
Energy: 1.6087445851955207
Energy: 1.4324040707237722
Energy: 1.6153082446411349
Energy: 1.469712202135539
Energy: 1.44527431624778
Energy: 1.4812260496741918
Energy: 1.5682814478742337
Energy: 1.4658622961575951
Energy: 1.497033817796091
Energy: 1.4866723021206365
Energy: 1.403865900294017
Energy: 1.5098028705191406
Energy: 1.5043176143029862
Energy: 1.4810784375253674
Energy: 1.4781537528094306
Energy: 1.5272485283836406
Energy: 1.4935609732654438
Energy: 1.478932567047353
Energy: 1.5063962401990987
Energy: 1.4378454398414189
Energy: 1.5430807325533786
Energy: 1.447429176861419
Energy: 1.4260212320571741
Energy: 1.52197918165784
Energy: 1.5718551393030318
Energy: 1.4184865094555101
Energy: 1.5538092647965882
Energy: 1.5198387863081801
Energy: 1.5595741732515664
Energy: 1.522442192203801
Energy: 1.5649923561299701
Energy: 1.450493527745638
Energy: 1.520456789957475
Energy: 1.5225348815224264
Energy: 1.4915769286013
Energy: 1.5977200831468437
Energy: 1.3689078428130759
Energy: 1.3722075954952413
Energy: 1.5553377202681475
Energy: 1.6028079406071136
Energy: 1.4659210162839258
Energy: 1.4384390059891046
Energy: 1.4018062477043414
Energy: 1.3459421655523132
Energy: 1.3933182756191618
Energy: 1.6230450646787733

minimum gb energy = 1.311850859948782 eV
minimum distance =  2.16636234247267 Angstroms
sigma value = 57


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

Energy: 2.3919399124367122
Energy: 1.4913950761226498
Energy: 1.2329348933460806
Energy: 1.2333364342852096
Energy: 1.3783153136524287
Energy: 1.772109903297267
Energy: 1.753900493484023
Energy: 1.5065511958956013
Energy: 1.201442192048677
Energy: 1.2002625438128416
Energy: 1.3702291603618875
Energy: 1.5011535526632032
Energy: 1.202657145950842
Energy: 1.3994011436093896
Energy: 1.499660073449088
Energy: 1.2021943707601679
Energy: 1.4870259785436803
Energy: 1.365752576360928
Energy: 1.1973947647116714
Energy: 1.4848102497316784
Energy: 1.507304476521304
Energy: 1.421629385466533
Energy: 1.4865457578970984
Energy: 1.1950017173107308
Energy: 1.1977672544723987
Energy: 1.4133362020899676
Energy: 1.496266560420648
Energy: 1.2008599205176627
Energy: 1.4821084811233938
Energy: 1.418231809788392
Energy: 1.1982816294847018
Energy: 1.3681382182848276
Energy: 1.5309238169369281
Energy: 1.2053368460519223
Energy: 1.3960417183209293
Energy: 1.3575465408504301
Energy: 1.2290632132424448
Energy: 1.3783706450538276
Energy: 1.3775079893939968
Energy: 1.4100943620229942
Energy: 1.3708355047662062
Energy: 1.2312095950358484
Energy: 1.2325806772038304
Energy: 1.3555754457485285
Energy: 1.5154713137491191
Energy: 1.3908814856859348
Energy: 1.3711311890322475
Energy: 1.3522321454045463
Energy: 1.2303355812174595
Energy: 1.2310573587790552
Energy: 1.5254494286261147
Energy: 1.2025737624839656
Energy: 1.4977310197637095
Energy: 1.2303190816843468
Energy: 1.2314001946710338
Energy: 1.3649974020824336
Energy: 1.4690350484931407
Energy: 1.4838342382727758
Energy: 1.3863274958612533
Energy: 1.2308550081461496
Energy: 1.202440476998613
Energy: 1.2037953690920806
Energy: 1.471772848992251
Energy: 1.1967819604864427
Energy: 1.3639220068321476
Energy: 1.2030386446021073
Energy: 1.2069072231287556
Energy: 1.5044451807164394
Energy: 1.4013826315692748
Energy: 1.2017664129326018
Energy: 1.4881299446685714
Energy: 1.364653816633921
Energy: 1.201610359670173
Energy: 1.4903803961662423
Energy: 1.4078551385845088
Energy: 1.391606725378631
Energy: 1.4994920948032724
Energy: 1.5090924409300026
Energy: 1.2045427148773766
Energy: 1.4996457569962802
Energy: 1.4295250333979002
Energy: 1.1953587340047958
Energy: 1.4911341570750258
Energy: 1.4091799448944557
Energy: 1.2042967773731121
Energy: 1.5184409347298427
Energy: 1.358313258047192
Energy: 1.2066950343805993
Energy: 1.365488949329932
Energy: 1.3672676939880826
Energy: 1.4498366615514287
Energy: 1.3758219160296845
Energy: 1.3687430601215673
Energy: 1.2101885202912914
Energy: 1.389738749802282
Energy: 1.4037415933139026
Energy: 1.456485015772361
Energy: 1.3544824811137304
Energy: 1.3596654224812834
Energy: 1.2322821136733009
Energy: 1.3760359857086168
Energy: 1.5053934612761972
Energy: 1.200497809895968
Energy: 1.5206129288621664
Energy: 1.2310949600329948
Energy: 1.2294929851242455
Energy: 1.376473204505896
Energy: 1.4743681086303864
Energy: 1.196825903368515
Energy: 1.4825635274061184
Energy: 1.3518196364202646
Energy: 1.2317571211584057
Energy: 1.3780134869094534
Energy: 1.505139569242111

minimum gb energy = 1.1950017173107308 eV
minimum distance =  2.15864161310206 Angstroms
sigma value = 11


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

Energy: 1.6137741530180454
Energy: 1.3925789105525768
Energy: 1.1415448804624657
Energy: 1.2486699301371753
Energy: 1.4031480867272106
Energy: 1.3717439129995628
Energy: 1.4811430168463238
Energy: 1.4536940387403998
Energy: 1.3022993073893692
Energy: 1.296246147697833
Energy: 1.3260636996220336
Energy: 1.431360249536135
Energy: 1.4943797234833396
Energy: 1.4084174757228354
Energy: 1.431938199997666
Energy: 1.3324115767794589
Energy: 1.4019986679182346
Energy: 1.470881703675699
Energy: 1.5864297829976592
Energy: 1.4250007108264475
Energy: 1.429511942971283
Energy: 1.3415334340744174
Energy: 1.4078516602751558
Energy: 1.4969022638680223
Energy: 1.4815716078250338
Energy: 1.457840025145518
Energy: 1.410720586421574
Energy: 1.4659959008329126
Energy: 1.4098660263944216
Energy: 1.4998183871137643
Energy: 1.4863123296237468
Energy: 1.4778085364775417
Energy: 1.4158651667405562
Energy: 1.4292164435010815
Energy: 1.4495634158500588
Energy: 1.4530733672759972
Energy: 1.3428161229138889
Energy: 1.308211306188774
Energy: 1.4487081000331739
Energy: 1.3653425681359876
Energy: 1.4234119477451495
Energy: 1.325454655638806
Energy: 1.1392287565139503
Energy: 1.4060449943749818
Energy: 1.4565660586043088
Energy: 1.453272254961419
Energy: 1.4377871333622128
Energy: 1.3074080068910743
Energy: 1.32058674270469
Energy: 1.2666981431481426
Energy: 1.4309692536332927
Energy: 1.482408296602106
Energy: 1.4136685221350926
Energy: 1.2762278756709322
Energy: 1.3055818088809419
Energy: 1.2785370372957288
Energy: 1.2695540076496776
Energy: 1.469524676773936
Energy: 1.3431895369853508
Energy: 1.2669572741807191
Energy: 1.144735677451321
Energy: 1.2776546846067616
Energy: 1.3536437432042099
Energy: 1.47526987549918
Energy: 1.3403776477014646
Energy: 1.2689904647558048
Energy: 1.1352909318820272
Energy: 1.3102063112814732
Energy: 1.4160059812718717
Energy: 1.4082400053472863
Energy: 1.373001449723688
Energy: 1.1374071036545108
Energy: 1.1396482842589015
Energy: 1.2968912031517417
Energy: 1.4482755009071853
Energy: 1.4347615836832657
Energy: 1.2786510488448217
Energy: 1.1767971272576572
Energy: 1.1315667315575455
Energy: 1.1318595623781205
Energy: 1.4270230399724733
Energy: 1.50101609719195
Energy: 1.3019225166874708
Energy: 1.1324641931062018
Energy: 1.3169075432810822
Energy: 1.3330147169114133
Energy: 1.4307451989025348
Energy: 1.4452673041121762
Energy: 1.4382446118536008
Energy: 1.3044033706947795
Energy: 1.361416651034329
Energy: 1.432205748364467
Energy: 1.5137699705633383
Energy: 1.4533443540065711
Energy: 1.4219479436641136
Energy: 1.4367059250307324
Energy: 1.342373972826663
Energy: 1.4273115705760933
Energy: 1.4280252793111288
Energy: 1.5416868663099557
Energy: 1.417122822223232
Energy: 1.3267135782244026
Energy: 1.4961556892838617
Energy: 1.4153501636436625
Energy: 1.447944840128975
Energy: 1.452781024411423
Energy: 1.4130522931387404
Energy: 1.4201568158073612
Energy: 1.5033621486541209
Energy: 1.4364654493411757
Energy: 1.4531358391433176
Energy: 1.4634909540319523
Energy: 1.4050428621737967
Energy: 1.4503821386736397
Energy: 1.3046331292622326
Energy: 1.438032740253636
Energy: 1.3072160199949994
Energy: 1.3732875441431134
Energy: 1.4153133028587677
Energy: 1.405122386117399
Energy: 1.4888399671323989
Energy: 1.4264173553342991
Energy: 1.329639031102994
Energy: 1.1283351527601035
Energy: 1.4107794519094357
Energy: 1.4556870873551082
Energy: 1.497076493753738
Energy: 1.4416662904984965
Energy: 1.276345305619458
Energy: 1.3587317839745263
Energy: 1.291336643189433
Energy: 1.4301648098746214
Energy: 1.7922168000368361
Energy: 1.3414525428396038
Energy: 1.277988335609851
Energy: 1.1324442186063806
Energy: 1.3210264453394167
Energy: 1.4740497609224763
Energy: 1.7684621328568462
Energy: 1.312519330331635
Energy: 1.2767297995817484
Energy: 1.1601103641742803
Energy: 1.3019257057198705
Energy: 1.4306081044304675
Energy: 1.4850831460276888
Energy: 1.4265429968288668
Energy: 1.137239412279079
Energy: 1.1364458140785934
Energy: 1.3788860578200675
Energy: 1.429603758784926
Energy: 1.4812245711927756
Energy: 1.3328669181363502
Energy: 1.1398694671160767
Energy: 1.1390501812291534
Energy: 1.2981650711117179
Energy: 1.4602732574342439

minimum gb energy = 1.1283351527601035 eV
minimum distance =  2.15533916354245 Angstroms
sigma value = 41


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

Energy: 1.886329913594367
Energy: 1.2503277451571209
Energy: 1.051179531241918
Energy: 1.0553979872170238
Energy: 1.3208869631887488
Energy: 1.3210331122634684
Energy: 1.7145859601360989
Energy: 1.3074134961324537
Energy: 1.1552613222170312
Energy: 1.1808446001011066
Energy: 1.202549325529525
Energy: 1.3132939056787345
Energy: 1.7386068429434756
Energy: 1.281602011746573
Energy: 1.2877508896323315
Energy: 1.2034143563610182
Energy: 1.3040736929819938
Energy: 1.336431180076747
Energy: 1.7422961504374186
Energy: 1.2956436943457015
Energy: 1.288750016069952
Energy: 1.207639200613067
Energy: 1.2840106940693041
Energy: 1.308620100869063
Energy: 1.7837181211321111
Energy: 1.3062618683679232
Energy: 1.2768193775993775
Energy: 1.312503322685367
Energy: 1.2831988963008991
Energy: 1.3091968591924095
Energy: 1.736258809817297
Energy: 1.317049774332074
Energy: 1.358390086484334
Energy: 1.3125996531485895
Energy: 1.3164145013930904
Energy: 1.3168987241692487
Energy: 1.555902252982928
Energy: 1.3359967597373354
Energy: 1.3163242957749346
Energy: 1.3434770459730476
Energy: 1.3166475231145085
Energy: 1.3432798794101635
Energy: 1.3138783346601002
Energy: 1.3172005554694808
Energy: 1.3168347471216457
Energy: 1.3930750099341742
Energy: 1.328062973131403
Energy: 1.3447454682896716
Energy: 1.549599585923444
Energy: 1.342344156002741
Energy: 1.3181604462761014
Energy: 1.3128835739296112
Energy: 1.316770573412269
Energy: 1.3399064579040427
Energy: 1.3212523587419316
Energy: 1.3122638943918763
Energy: 1.279200004525211
Energy: 1.3347216121122998
Energy: 1.2983117293012574
Energy: 1.3131026328377038
Energy: 1.1975402004472588
Energy: 1.2848091625780276
Energy: 1.305438735106469
Energy: 1.3495257969046857
Energy: 1.302618872252087
Energy: 1.2052639891657289
Energy: 1.2369647666815413
Energy: 1.2051455257910866
Energy: 1.3118663381746027
Energy: 1.3168317222382298
Energy: 1.3082769567581498
Energy: 1.1993993476019433
Energy: 1.1800634514274784
Energy: 1.1739425772717187
Energy: 1.3352028923688686
Energy: 1.3158629772698116
Energy: 1.1627847502969972
Energy: 1.1479989126779375
Energy: 1.0519110365095314
Energy: 1.1597914910270903
Energy: 1.2869042342883779
Energy: 1.2817288767347228
Energy: 1.1566005267262158
Energy: 1.0496222611085266
Energy: 1.0505771511539503
Energy: 1.1603253768822628
Energy: 1.3123827943531161
Energy: 1.3365989626722439
Energy: 1.2805313981106043
Energy: 1.157028934281604
Energy: 1.0529491460072808
Energy: 1.151253517060948
Energy: 1.3121638838190564
Energy: 1.3366238526237035
Energy: 1.270294925523448
Energy: 1.0519864891999378
Energy: 1.0512968727803678
Energy: 1.049926735004185
Energy: 1.234380307355193
Energy: 1.3090875620722444
Energy: 1.2114703996608283
Energy: 1.0513907928421466
Energy: 1.1782283019504123
Energy: 1.1724124363763415
Energy: 1.3123351091660844
Energy: 1.3092315468398947
Energy: 1.1734869258249636
Energy: 1.1710617043222284
Energy: 1.20185767796287
Energy: 1.292185075363619
Energy: 1.3118206548664313
Energy: 1.3165592941139603
Energy: 1.303255685323009
Energy: 1.2095247472795354
Energy: 1.1925058615319732
Energy: 1.3020730449489166
Energy: 1.2970829253699916
Energy: 1.3086509405035895
Energy: 1.2963276216335715
Energy: 1.2871193808683883
Energy: 1.5284078127171343
Energy: 1.2837545861244477
Energy: 1.3081631101139102
Energy: 1.3087573420124028
Energy: 1.2823354938566747
Energy: 1.282175038977633
Energy: 1.5265601390893462
Energy: 1.3109416201181083
Energy: 1.3166595120103477
Energy: 1.3131104504736455
Energy: 1.3165951974242254
Energy: 1.3121703498460806
Energy: 1.5288331601049194
Energy: 1.3162731580802842
Energy: 1.3681970724425594
Energy: 1.3404323161380884
Energy: 1.3164438281300614
Energy: 1.3457750310518195
Energy: 1.5409212880149865
Energy: 1.3172992868175246
Energy: 1.3363112117885065
Energy: 1.3480103970537058
Energy: 1.3168327272282316
Energy: 1.3448216060327574
Energy: 1.738431571873155
Energy: 1.3167086318206127
Energy: 1.3734612954430103
Energy: 1.3127247952509258
Energy: 1.3362718402045626
Energy: 1.3167700857130404
Energy: 1.54276769665015
Energy: 1.295529239513149
Energy: 1.3127963760261667
Energy: 1.3124181209621117
Energy: 1.281543485766964
Energy: 1.3165468791710373
Energy: 1.592968990167681
Energy: 1.2977056531237585
Energy: 1.20264861344231
Energy: 1.2048450812967213
Energy: 1.283046210982999
Energy: 1.2988624054823743
Energy: 1.7286216687057925
Energy: 1.2758587449387315
Energy: 1.2073585408120266
Energy: 1.1991293963139216
Energy: 1.2923439860362314
Energy: 1.316829566832337
Energy: 1.7532434558097196
Energy: 1.2854156252565836
Energy: 1.1556750673631178
Energy: 1.1796492941025747
Energy: 1.1753211052601384
Energy: 1.3124938659968626
Energy: 1.7661732042945983
Energy: 1.192534297164233
Energy: 1.1692071992770068
Energy: 1.0491815779423959
Energy: 1.1582842942793279
Energy: 1.3208389219513548
Energy: 1.7537430703503294
Energy: 1.2618403068676372
Energy: 1.1694501191502675
Energy: 1.0582174571677885
Energy: 1.184029704883239
Energy: 1.312573603208999
Energy: 1.7273144989674425
Energy: 1.2990059192042436
Energy: 1.0497984801393552
Energy: 1.0546852346261966
Energy: 1.2414692146704231
Energy: 1.3122902639341134
Energy: 1.7055615108252535
Energy: 1.1791667410540492
Energy: 1.051258713173878
Energy: 1.053880972583735
Energy: 1.169527558833588
Energy: 1.2343875800794197

minimum gb energy = 1.0491815779423959 eV
minimum distance =  2.14471723119587 Angstroms
sigma value = 33


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

Energy: 1.7954021800476376
Energy: 1.120469291895027
Energy: 0.9398510248439194
Energy: 1.0744144565541964
Energy: 0.9416050159563092
Energy: 1.1422435566616187
Energy: 2.0136815591138744
Energy: 1.1358182787986162
Energy: 1.0319382756374098
Energy: 1.017861959031528
Energy: 1.086499467118038
Energy: 1.1360458023910205
Energy: 1.9839926085496664
Energy: 1.1350334479983049
Energy: 1.1111549703561716
Energy: 1.042418420365171
Energy: 1.1221939843948623
Energy: 1.1520840431778516
Energy: 1.7713824676456478
Energy: 1.1518526303671084
Energy: 1.0400247403660847
Energy: 1.0379721097840022
Energy: 1.1211839476912953
Energy: 1.1342931355521184
Energy: 1.6850531555378894
Energy: 1.1906706367292939
Energy: 1.122705165763562
Energy: 1.1238703019940242
Energy: 1.130145658665392
Energy: 1.1338278705684917
Energy: 2.011648226242856
Energy: 1.150537942241051
Energy: 1.1760060528985516
Energy: 1.192401949359475
Energy: 1.1527087808247878
Energy: 1.1520159941863102
Energy: 1.8718587717086328
Energy: 1.1836030891480804
Energy: 1.1515730800783033
Energy: 1.1976649308699117
Energy: 1.15149908324591
Energy: 1.17939237559592
Energy: 1.403497328596371
Energy: 1.1503932646381259
Energy: 1.1516129103512718
Energy: 1.1376443450229894
Energy: 1.1511260545025557
Energy: 1.1622981367069354
Energy: 1.8755342553384071
Energy: 1.1676256115933603
Energy: 1.1507202558318232
Energy: 1.1511599259161864
Energy: 1.1854632023003275
Energy: 1.1674606510746213
Energy: 1.7006690644667828
Energy: 1.1656821932663566
Energy: 1.1645543684891682
Energy: 1.166093784721016
Energy: 1.1663081331217138
Energy: 1.1654739017762323
Energy: 1.5049093628513903
Energy: 1.1653673418156567
Energy: 1.1652634624340914
Energy: 1.1919226174101853
Energy: 1.166692964728384
Energy: 1.164645404658432
Energy: 1.3788207818367388
Energy: 1.1653006501189407
Energy: 1.165111192579744
Energy: 1.1656166970620243
Energy: 1.1661079817839792
Energy: 1.1650092670137306
Energy: 1.5499849675978283
Energy: 1.1528879887231644
Energy: 1.1951751041992436
Energy: 1.1674656126352205
Energy: 1.1515487541272666
Energy: 1.1520491219170619
Energy: 1.3109024379091723
Energy: 1.153832367422359
Energy: 1.1509059157507364
Energy: 1.164547663279239
Energy: 1.1507863856180294
Energy: 1.1563593507653893
Energy: 1.2681355650296045
Energy: 1.1686265586456517
Energy: 1.1896578922656633
Energy: 1.1661099850921504
Energy: 1.1802756606111722
Energy: 1.1852078984658625
Energy: 1.3036618968237723
Energy: 1.1758230619109438
Energy: 1.1521187153580614
Energy: 1.163851265754594
Energy: 1.152271189597524
Energy: 1.157532306622032
Energy: 1.2748385346690252
Energy: 1.1210533700941498
Energy: 1.1506661543056862
Energy: 1.1505257240053453
Energy: 1.1228239741689663
Energy: 1.1236601931894776
Energy: 1.1118199806667286
Energy: 1.1282594018719347
Energy: 1.1691276961091803
Energy: 1.1648925717256036
Energy: 1.1867546003118192
Energy: 1.0599284424505229
Energy: 1.073298730070593
Energy: 1.066798651023936
Energy: 1.134897938557051
Energy: 1.150797240518494
Energy: 1.1529315603616304
Energy: 1.0406865872900517
Energy: 1.0249504927487587
Energy: 1.0360064676697165
Energy: 1.043264565698342
Energy: 1.1509519509562436
Energy: 1.1066756198313978
Energy: 1.0172567174442853
Energy: 0.934451892292479
Energy: 1.0558524397728473
Energy: 1.1423231653066968
Energy: 1.1508992936008406
Energy: 1.087812193295261
Energy: 0.9336996244894946
Energy: 0.9444688272676979
Energy: 1.0526533217223752
Energy: 1.135422203128693
Energy: 1.1511271321947618
Energy: 1.1161354968761459
Energy: 0.9363150139550337
Energy: 0.945669157749309
Energy: 1.0108326540614965
Energy: 1.1361613216624222
Energy: 1.1517373489157432
Energy: 1.1793255357071328
Energy: 0.9874677593197014
Energy: 0.9346724716101824
Energy: 0.936904882966356
Energy: 1.1342240173729283
Energy: 1.1347987335998144
Energy: 1.0343437510370748
Energy: 0.9675741833339405
Energy: 1.0272141579405114
Energy: 1.028786800274852
Energy: 1.1358616249212108
Energy: 1.162476103643578
Energy: 1.042323450809674
Energy: 1.0182787693787838
Energy: 1.0774481455213782
Energy: 1.1220430907637753
Energy: 1.1344873826663426
Energy: 1.15071680177243
Energy: 1.1060500246683902
Energy: 1.0423733218588056
Energy: 1.100783536666692
Energy: 1.1220849911645876
Energy: 1.180341056509813
Energy: 1.1813712404748287
Energy: 1.1129023864647876
Energy: 1.0472239662479659
Energy: 1.2458894256283821
Energy: 1.117319094496719
Energy: 1.1337695781184782
Energy: 1.1615991888004278
Energy: 1.1577123060752552
Energy: 1.1216981337276224
Energy: 1.3071958047290515
Energy: 1.1781444863059525
Energy: 1.1517041806563701
Energy: 1.1635680669475044
Energy: 1.1510188426517194
Energy: 1.172660265903228
Energy: 1.3469905842387075
Energy: 1.153696913840487
Energy: 1.1885816384833403
Energy: 1.1683848287165903
Energy: 1.183669621263237
Energy: 1.1881722325174002
Energy: 1.3203162417957903
Energy: 1.1514535097992775
Energy: 1.161890106057931
Energy: 1.192508296035192
Energy: 1.1510100522752496
Energy: 1.1695956736529725
Energy: 1.5492290481769206
Energy: 1.1506193735373949
Energy: 1.1902443225308834
Energy: 1.165789373994922
Energy: 1.1842371915068628
Energy: 1.1506042556945444
Energy: 1.6488255006957646
Energy: 1.1651259847193307
Energy: 1.165605361735688
Energy: 1.1651754304101802
Energy: 1.16585230753217
Energy: 1.164669554715816
Energy: 1.6274415238492494
Energy: 1.1649549868913995
Energy: 1.1647233436812676
Energy: 1.2063127052027658
Energy: 1.166232611902267
Energy: 1.164820496226022
Energy: 1.854289658568667
Energy: 1.1654763956104808
Energy: 1.164884361848029
Energy: 1.2068203106476834
Energy: 1.165836879974532
Energy: 1.1647258724661642
Energy: 1.8712479642933433
Energy: 1.1933439114857685
Energy: 1.1508047291208905
Energy: 1.1505664381198295
Energy: 1.1509721650856242
Energy: 1.1655403143625236
Energy: 1.6146106875549
Energy: 1.150973650752065
Energy: 1.1602216506589977
Energy: 1.1638000455426636
Energy: 1.151120350108463
Energy: 1.1643135015141253
Energy: 1.8609221994959806
Energy: 1.2039143322816412
Energy: 1.1631047546372162
Energy: 1.161118669281478
Energy: 1.1606568372568955
Energy: 1.1906941125603399
Energy: 1.989700526610088
Energy: 1.1514979863521488
Energy: 1.1668574348243321
Energy: 1.1215420545411419
Energy: 1.1584363136382483
Energy: 1.1515026043626122
Energy: 1.9027554099807478
Energy: 1.10959589092731
Energy: 1.122273020423753
Energy: 1.1218254167671218
Energy: 1.126414376053109
Energy: 1.1508436530230672
Energy: 1.8426935143559156
Energy: 1.1979624711499526
Energy: 1.0411442414082674
Energy: 1.0401209239528912
Energy: 1.1275430496597498
Energy: 1.1418817123029303
Energy: 1.986627480086975
Energy: 1.1350123772455838
Energy: 1.0591921158169788
Energy: 1.0362701773384686
Energy: 1.131045469980777
Energy: 1.1351235205745243
Energy: 1.9961100095279793
Energy: 1.042021020469309
Energy: 1.017803571924001
Energy: 1.0190482358024575
Energy: 1.0591948202818033
Energy: 1.1364500859267204
Energy: 1.8546014508857458
Energy: 1.0374502979100046
Energy: 0.9334030645887168
Energy: 0.9365488820227692
Energy: 1.0196592905348105
Energy: 1.1508759018414043
Energy: 1.8558835518439685
Energy: 1.1350489897841036
Energy: 1.0292121944406207
Energy: 0.9477662095903924
Energy: 1.0350451559158873
Energy: 1.136193079187292
Energy: 2.00362882372252
Energy: 1.1354905589405921
Energy: 0.9486263366699988
Energy: 0.9475907137544421
Energy: 1.022864311098612
Energy: 1.1352390249456177
Energy: 1.9916308702587424
Energy: 1.033471743795574
Energy: 0.9431884016945921
Energy: 0.9331814601259723
Energy: 1.0228834869183734
Energy: 1.1344534070856698

minimum gb energy = 0.9331814601259723 eV
minimum distance =  2.1979524620735 Angstroms
sigma value = 67


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

Energy: 0.38025452697599227
Energy: 0.32143294026632024
Energy: 0.4567866047467313
Energy: 0.4573890360196558
Energy: 0.44219481729018634
Energy: 0.3215408632937939
Energy: 0.30462361226235235
Energy: 0.45577496258228034
Energy: 0.4406477585706555
Energy: 0.44098751476342907
Energy: 0.4551491597312429
Energy: 0.45625661902534614
Energy: 1.5534274364033176
Energy: 0.4406908023309613
Energy: 0.4409283563066393
Energy: 0.4407365999201435
Energy: 0.4399733484708449
Energy: 0.44088136922015514
Energy: 0.30525086279563984
Energy: 0.4403476594693465
Energy: 0.4412302297005262
Energy: 0.4414172702443057
Energy: 0.4397463674808419
Energy: 0.3046141414123065
Energy: 0.3045439289800321
Energy: 0.4399147260831925
Energy: 0.44059852256331866
Energy: 0.4410394474218538
Energy: 0.4390423881555056
Energy: 0.3046372902561792
Energy: 1.55225163134328
Energy: 0.440324651121661
Energy: 0.44122768135012175
Energy: 0.45809135362359826
Energy: 0.44010833908179503
Energy: 0.4409112891616189
Energy: 0.30458958309687234
Energy: 0.4565664846710718
Energy: 0.44082843430671015
Energy: 0.440970230810049
Energy: 0.4411512703991257
Energy: 0.4564593083512894

minimum gb energy = 0.3045439289800321 eV
minimum distance =  2.40157944615855 Angstroms
sigma value = 3


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

Energy: 2.05838207823789
Energy: 1.0452647007856073
Energy: 0.9213167710939907
Energy: 0.9237055845858678
Energy: 1.0109074080589406
Energy: 1.1251269145128617
Energy: 1.8657551579534501
Energy: 1.008985453361157
Energy: 0.9050815917214067
Energy: 0.9103470378291852
Energy: 0.9055507796837198
Energy: 1.1195833987642052
Energy: 1.9342894629459502
Energy: 1.0429520967554244
Energy: 0.9136364344814518
Energy: 0.9156253211214462
Energy: 0.9131571136059081
Energy: 1.0760487130056533
Energy: 2.1715143538127943
Energy: 1.0015110050702714
Energy: 0.9067989343126182
Energy: 0.9065895745698338
Energy: 0.9564494823944379
Energy: 1.088825247422638
Energy: 2.1824741567141204
Energy: 0.9963753041317492
Energy: 1.0108422349652557
Energy: 1.0094816128298254
Energy: 0.9967582148470163
Energy: 1.0878335144500697
Energy: 1.9363186455433548
Energy: 1.077684493352358
Energy: 0.9974372111952526
Energy: 1.0018599041460017
Energy: 0.9976879058717487
Energy: 1.1029670885329337
Energy: 1.9411746898639624
Energy: 1.1041988151605777
Energy: 1.006496919724397
Energy: 1.0088587715116486
Energy: 1.0210593283567966
Energy: 1.1033788422601907
Energy: 1.907962591171457
Energy: 1.1043865697850774
Energy: 1.1045215496436733
Energy: 1.1915426121807986
Energy: 1.1040698712057824
Energy: 1.133210055584497
Energy: 1.9541108306192096
Energy: 1.105070246750831
Energy: 1.1306223539848035
Energy: 1.107689695342055
Energy: 1.1420845000970643
Energy: 1.1051298197747326
Energy: 1.8634906220860006
Energy: 1.1395024056775624
Energy: 1.1052330725772663
Energy: 1.0955474740830766
Energy: 1.1044966430710783
Energy: 1.1395614346524627
Energy: 1.9058260980790813
Energy: 1.1395656394172193
Energy: 1.143260010217426
Energy: 1.14508408809072
Energy: 1.1462194827619556
Energy: 1.143105581716266
Energy: 1.881137939788468
Energy: 1.1447897352627807
Energy: 1.146385824967585
Energy: 1.138781044184999
Energy: 1.1490616733234884
Energy: 1.1451378101993113
Energy: 1.8012132068039388
Energy: 1.1445500630312762
Energy: 1.1410014460402504
Energy: 1.1282814066166573
Energy: 1.1466760770341025
Energy: 1.1699154792449782
Energy: 1.8222590140987203
Energy: 1.148758776803082
Energy: 1.164797454457801
Energy: 1.1434407394062496
Energy: 1.1577599602510964
Energy: 1.1540849150363828
Energy: 1.6142091686143443
Energy: 1.15472157663689
Energy: 1.1812888815391658
Energy: 1.1517184266977167
Energy: 1.1546949214743771
Energy: 1.1570518013392979
Energy: 1.5337298931297045
Energy: 1.1705248547989182
Energy: 1.1493771767018537
Energy: 1.155749440027401
Energy: 1.1508047475895526
Energy: 1.1680737172435902
Energy: 1.5431680152695442
Energy: 1.1589709402601005
Energy: 1.1499275140288379
Energy: 1.1568230831556114
Energy: 1.1511934352690218
Energy: 1.1520577894669388
Energy: 1.5468846581554851
Energy: 1.137176034411077
Energy: 1.139064349739086
Energy: 1.195191772645273
Energy: 1.1386560086487472
Energy: 1.1342475999977997
Energy: 1.5421241336799676
Energy: 1.1379443722120106
Energy: 1.1378521769507253
Energy: 1.1503625726135842
Energy: 1.137883776837962
Energy: 1.1434681163948077
Energy: 1.266061038345065
Energy: 1.1054534206420226
Energy: 1.1341532057063812
Energy: 1.1503318480475688
Energy: 1.134252270281291
Energy: 1.103798676601918
Energy: 1.2662301155952378
Energy: 1.0804377987208715
Energy: 1.167424984737323
Energy: 1.1641292587069907
Energy: 1.079616099291795
Energy: 1.0802910385893187
Energy: 1.2803611711592688
Energy: 1.081530864554898
Energy: 1.1292534560188854
Energy: 1.1694863202658354
Energy: 1.0802203026418582
Energy: 1.0652829362676168
Energy: 1.0674407569676878
Energy: 1.0797560994787703
Energy: 1.1156825090210876
Energy: 1.1424602241057122
Energy: 1.0808585343504085
Energy: 1.0792908473754947
Energy: 1.0710897915920667
Energy: 1.0597163157342884
Energy: 1.1227486947766763
Energy: 1.124769641865251
Energy: 1.0801022481203817
Energy: 1.0622963011310385
Energy: 1.0662848405944851
Energy: 1.0358648636619707
Energy: 1.0728905675533005
Energy: 1.161949782763559
Energy: 1.0379891930878702
Energy: 1.0357756354629764
Energy: 1.055614231148289
Energy: 1.0298460407327212
Energy: 1.0738034910716654
Energy: 1.1262019428653371
Energy: 1.0723360769672499
Energy: 1.0344126575513612
Energy: 0.9482784893481888
Energy: 0.941198857672774
Energy: 1.0720488396162797
Energy: 1.1245332401125911
Energy: 1.0706201222781202
Energy: 0.9519588626508096
Energy: 0.9626498392507726
Energy: 0.9575382920627791
Energy: 1.0733766176765915
Energy: 1.148779065708792
Energy: 0.9578017490991092
Energy: 0.9569359977597152
Energy: 0.9681541394874371
Energy: 0.9625254441350255
Energy: 0.9739341612122855
Energy: 1.1502140478192076
Energy: 0.9720775096883818
Energy: 0.9626908680003965
Energy: 1.0566518293856826
Energy: 0.9721240079494167
Energy: 1.089347768712218
Energy: 1.133839433955251
Energy: 0.9726844730150216
Energy: 0.9711028149768609
Energy: 1.049270311310598
Energy: 0.9716962594361889
Energy: 1.1121348853944613
Energy: 1.1541834405049365
Energy: 0.9986807157140996
Energy: 0.9718606277652866
Energy: 1.0337154734946012
Energy: 0.9649950341928417
Energy: 1.129832517134057
Energy: 1.1534405808256236
Energy: 0.971937658779471
Energy: 0.9716511709658308
Energy: 1.0228158966972585
Energy: 0.9760823202924396
Energy: 1.099234877336583
Energy: 1.1476399692344927
Energy: 1.0986700831133205
Energy: 0.9762450988974233
Energy: 1.2510069563060393
Energy: 1.097903577934721
Energy: 1.0994097602180517
Energy: 1.132862989119036
Energy: 1.0983537387223448
Energy: 1.0987436839588678
Energy: 1.2646234740679356
Energy: 1.0982453443129188
Energy: 1.09945641892311
Energy: 1.2167681264193508
Energy: 1.0980773517619171
Energy: 1.1003887191282105
Energy: 1.262153802287415
Energy: 1.1311397204434448
Energy: 1.1416747310433992
Energy: 1.144429360055833
Energy: 1.1392782765804055
Energy: 1.1319175731361495
Energy: 1.5457022750540608
Energy: 1.1500120222843357
Energy: 1.1401816767929338
Energy: 1.1555854826310696
Energy: 1.1413793869819338
Energy: 1.1430578217885077
Energy: 1.4815460081404828
Energy: 1.1431215955019536
Energy: 1.1700312834386146
Energy: 1.1700411106482191
Energy: 1.1700164059877216
Energy: 1.132402718826113
Energy: 1.5337612512978567
Energy: 1.1424633155285817
Energy: 1.1555123752377743
Energy: 1.1543996225195268
Energy: 1.1420163844888807
Energy: 1.1500924071025684
Energy: 1.5327334007833953
Energy: 1.1564571524668033
Energy: 1.1489543143572292
Energy: 1.1600558121615083
Energy: 1.1544993519825002
Energy: 1.1764757064035194
Energy: 1.744923939449392
Energy: 1.1570350079613727
Energy: 1.156723718430017
Energy: 1.154702335806566
Energy: 1.1588871671960972
Energy: 1.156336329160018
Energy: 1.7575924914933347
Energy: 1.1490456698472502
Energy: 1.156591288297154
Energy: 1.1596385537604996
Energy: 1.1584091593608488
Energy: 1.1505894227917535
Energy: 1.8095974175184353
Energy: 1.1443530573792757
Energy: 1.140951480286383
Energy: 1.1449847798440453
Energy: 1.1401698736857502
Energy: 1.1564317958862438
Energy: 1.946363881477956
Energy: 1.1441559815548699
Energy: 1.14776771319501
Energy: 1.1486258710287187
Energy: 1.1432229974887504
Energy: 1.1579576483502363
Energy: 1.7657412091170799
Energy: 1.1402233876605186
Energy: 1.1444105406093765
Energy: 1.1620603304283645
Energy: 1.1446638160671068
Energy: 1.143906523259557
Energy: 1.9364931741377007
Energy: 1.1416947575827756
Energy: 1.1415360499016733
Energy: 1.1320296439681186
Energy: 1.1354519193581565
Energy: 1.1442443027678877
Energy: 1.9377812202758145
Energy: 1.1039483049321328
Energy: 1.1067256600418824
Energy: 1.1018047152908106
Energy: 1.1027455872981522
Energy: 1.129654771966681
Energy: 2.0418962312104076
Energy: 1.1037527938953893
Energy: 1.1048609247432442
Energy: 1.1162797443076942
Energy: 1.1034149314482802
Energy: 1.1155134363740045
Energy: 2.026583595411861
Energy: 1.1030661319075943
Energy: 1.007325201767062
Energy: 1.0120812489199587
Energy: 1.0199319181102962
Energy: 1.1150838303478674
Energy: 1.9306721474068422
Energy: 1.0786852380937422
Energy: 0.9964633354172407
Energy: 0.9989551108654037
Energy: 0.9965603162033532
Energy: 1.122478772861858
Energy: 1.9619466931083882
Energy: 0.9948853894788331
Energy: 0.9966407675276953
Energy: 1.0044173244440986
Energy: 0.9960669621011792
Energy: 1.1043084559687444

minimum gb energy = 0.9050815917214067 eV
minimum distance =  2.18699935355296 Angstroms
sigma value = 81


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

Energy: 2.243965381368389
Energy: 1.191396123441041
Energy: 1.033209896119858
Energy: 1.0503139686252176
Energy: 1.1489672404596505
Energy: 1.2906404016402795
Energy: 1.777639180965446
Energy: 1.148233497138566
Energy: 1.0114169577385466
Energy: 1.01047875132049
Energy: 1.0117295907371504
Energy: 1.2569577580346507
Energy: 1.687680515428983
Energy: 1.082637738148116
Energy: 1.0177528943887766
Energy: 1.0177747676078233
Energy: 1.0180589641705255
Energy: 1.2400315852465835
Energy: 1.7261845317571507
Energy: 1.131545192769185
Energy: 1.0125017854406455
Energy: 1.0143199876998488
Energy: 1.0806998908679717
Energy: 1.2475928107688743
Energy: 1.70703711974124
Energy: 1.1318907147017223
Energy: 1.1337273556299197
Energy: 1.1466589916220653
Energy: 1.1377654037967264
Energy: 1.247703604895581
Energy: 1.7054996345637536
Energy: 1.2400002776697905
Energy: 1.1394108262985096
Energy: 1.1324132823633548
Energy: 1.1636266211509276
Energy: 1.29267339441562
Energy: 1.8060348766590102
Energy: 1.270643802855113
Energy: 1.138683891401833
Energy: 1.140192577455924
Energy: 1.149122696808527
Energy: 1.2744789735789992
Energy: 2.0290012648528326
Energy: 1.2679309341326168
Energy: 1.297136953036358
Energy: 1.1532856628921333
Energy: 1.2886518079871025
Energy: 1.3000591328494309
Energy: 1.7143711144475096
Energy: 1.2748967835524292
Energy: 1.2696081759708846
Energy: 1.2471812129199529
Energy: 1.2699163383704142
Energy: 1.274681569146145
Energy: 1.6946114674931965
Energy: 1.2882890565891223
Energy: 1.2639669343039874
Energy: 1.266649036884141
Energy: 1.2743673238067017
Energy: 1.2937693503773326
Energy: 1.5995270391629202
Energy: 1.289028482411633
Energy: 1.2964048022084764
Energy: 1.2658652543218551
Energy: 1.2969588849395097
Energy: 1.3013753926297553
Energy: 1.7267080760022386
Energy: 1.2932616228794245
Energy: 1.2960264668251167
Energy: 1.2898287976882872
Energy: 1.302670257787378
Energy: 1.2944414731685787
Energy: 1.507423035764659
Energy: 1.2621876489274904
Energy: 1.2886717883382028
Energy: 1.292028491902716
Energy: 1.2930429442101001
Energy: 1.2406703127066119
Energy: 1.5092424406400182
Energy: 1.24136844378274
Energy: 1.2968683233087013
Energy: 1.2887245720979421
Energy: 1.2436891552657596
Energy: 1.2388826264087218
Energy: 1.5422732986172603
Energy: 1.235535998427914
Energy: 1.2892504853902256
Energy: 1.517569412749376
Energy: 1.241497481856086
Energy: 1.2223847790270492
Energy: 1.356213552458741
Energy: 1.2352706853462427
Energy: 1.2820619688900157
Energy: 1.292648314090275
Energy: 1.242928210202473
Energy: 1.249890928046901
Energy: 1.2341873770832907
Energy: 1.210068786037424
Energy: 1.2426351571989027
Energy: 1.2952670205874042
Energy: 1.236667760723064
Energy: 1.2117855154734622
Energy: 1.2326690233979274
Energy: 1.1847606247974973
Energy: 1.22690387578167
Energy: 1.3217086456908684
Energy: 1.1844627744157779
Energy: 1.189218059191687
Energy: 1.218589561756395
Energy: 1.1750579457521777
Energy: 1.23003089506661
Energy: 1.2912776999796238
Energy: 1.2288937031558618
Energy: 1.174508480812499
Energy: 1.0759960440324023
Energy: 1.060879552352431
Energy: 1.2284778059362087
Energy: 1.2912955723173811
Energy: 1.2286607121343942
Energy: 1.060828751342844
Energy: 1.0887800956271068
Energy: 1.0732128476817582
Energy: 1.230707071232304
Energy: 1.338659042372889
Energy: 1.0731379663253489
Energy: 1.0783430146474053
Energy: 1.0908349050923127
Energy: 1.087559241424611
Energy: 1.0995973155408205
Energy: 1.294801111841526
Energy: 1.100574304871316
Energy: 1.0868759025040706
Energy: 1.1057656515730003
Energy: 1.0906336704134816
Energy: 1.2616408796132283
Energy: 1.3225905383796281
Energy: 1.0919309297212212
Energy: 1.113420468751319
Energy: 1.1885810682223212
Energy: 1.090373276405992
Energy: 1.1001082298210991
Energy: 1.3521833548777957
Energy: 1.1005161629826243
Energy: 1.0931814337147634
Energy: 1.1786584412398153
Energy: 1.0879609235896341
Energy: 1.3015250688388023
Energy: 1.3393136359892712
Energy: 1.087565370492062
Energy: 1.0896331797888974
Energy: 1.1739833629658545
Energy: 1.114558606889633
Energy: 1.2625775198997558
Energy: 1.2949516961390322
Energy: 1.2611166284794122
Energy: 1.0953493485269263
Energy: 1.4983987139426882
Energy: 1.264807861970343
Energy: 1.2667756071007008
Energy: 1.298942772171644
Energy: 1.2664796070010962
Energy: 1.2641868918727572
Energy: 1.4008056461332188
Energy: 1.262818906697486
Energy: 1.266553222976771
Energy: 1.3409548804153293
Energy: 1.2666331290283028
Energy: 1.2622168772958084
Energy: 1.5012484959424361
Energy: 1.2771699021827676
Energy: 1.2974284594023011
Energy: 1.3027818219527108
Energy: 1.3033417776465595
Energy: 1.2645027899233112
Energy: 1.498496168682509
Energy: 1.3179075280146224
Energy: 1.3045303214478838
Energy: 1.266785745258148
Energy: 1.2999735750180226
Energy: 1.3026422069570305
Energy: 1.7825761163042917
Energy: 1.3081896179694747
Energy: 1.317179732757348
Energy: 1.400858395133308
Energy: 1.2973910535499311
Energy: 1.2909984223518514
Energy: 1.7882362765458086
Energy: 1.3003253875770862
Energy: 1.2822958123453199
Energy: 1.2894790470182995
Energy: 1.3057238174784236
Energy: 1.303474038165752
Energy: 1.6943882671469528
Energy: 1.276043810520163
Energy: 1.2719109854758355
Energy: 1.2624494511510833
Energy: 1.2745275861598488
Energy: 1.2987397820604514
Energy: 1.7221883266723055
Energy: 1.27475343886022
Energy: 1.2672938770981954
Energy: 1.2624980256940201
Energy: 1.267499985507427
Energy: 1.2833978721963992
Energy: 1.8028034057363436
Energy: 1.2687882847591032
Energy: 1.1656561356734387
Energy: 1.1602198314022323
Energy: 1.22185874811312
Energy: 1.2829166615632357
Energy: 1.7040069895295586
Energy: 1.2468420262252802
Energy: 1.1307001851330423
Energy: 1.1294513759224676
Energy: 1.1288894911172247
Energy: 1.2971692644947124
Energy: 1.7827619190005004
Energy: 1.1519438493732403
Energy: 1.1298305241385318
Energy: 1.1322145309503306
Energy: 1.1356869110597763
Energy: 1.2535082404566313
Energy: 1.9701937118158088
Energy: 1.129955073247943
Energy: 1.1320362065128655
Energy: 1.0321902054152745
Energy: 1.1320003672574124
Energy: 1.2763331946042316

minimum gb energy = 1.01047875132049 eV
minimum distance =  2.23194192920388 Angstroms
sigma value = 43


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

Energy: 1.966873001616441
Energy: 1.3542342268082637
Energy: 1.076127952262713
Energy: 1.074865301570908
Energy: 1.2160462851464255
Energy: 1.380090614027105
Energy: 1.435151836339828
Energy: 1.2234841857715415
Energy: 1.078631151316716
Energy: 1.07837175635757
Energy: 1.078487865087288
Energy: 1.3572988421423213
Energy: 1.4792174485603446
Energy: 1.2231790121805741
Energy: 1.0855239437275552
Energy: 1.0852004402728905
Energy: 1.0852894096362982
Energy: 1.3548431982419393
Energy: 1.950671101869592
Energy: 1.2223458623820926
Energy: 1.0735439940963882
Energy: 1.0734012513039046
Energy: 1.218505606981286
Energy: 1.3762220582017337
Energy: 1.679673658462764
Energy: 1.2229320158984165
Energy: 1.2183804406458472
Energy: 1.2183937034032954
Energy: 1.2180562156045245
Energy: 1.376039428372976
Energy: 1.4851231394779396
Energy: 1.223131922532256
Energy: 1.2196148555509985
Energy: 1.2200358800601565
Energy: 1.218896723398844
Energy: 1.3973396548492685
Energy: 1.472293875031953
Energy: 1.388556457161851
Energy: 1.2175155527735981
Energy: 1.2168087993951793
Energy: 1.2162907034015342
Energy: 1.3782122512340758
Energy: 1.672325310390226
Energy: 1.3711029310393565
Energy: 1.3876835280613762
Energy: 1.2177083688524475
Energy: 1.3723582383601118
Energy: 1.387092719795739
Energy: 1.463043489317204
Energy: 1.4159868959271205
Energy: 1.390043760322038
Energy: 1.340301060139993
Energy: 1.4119971014184134
Energy: 1.3781519736152077
Energy: 1.7149260366429144
Energy: 1.3781831795903663
Energy: 1.3717056009109028
Energy: 1.3711569173297682
Energy: 1.3881361651257775
Energy: 1.3722785824582657
Energy: 1.695644278945824
Energy: 1.3786419594143806
Energy: 1.39691591285814
Energy: 1.3812903705734785
Energy: 1.3780211288161668
Energy: 1.3718950760831907
Energy: 1.6809984207888284
Energy: 1.3717127338483859
Energy: 1.378025418227651
Energy: 1.3881018301816948
Energy: 1.3780096177227268
Energy: 1.3713792899579151
Energy: 1.2750587489602083
Energy: 1.2548933660506754
Energy: 1.3879728289671416
Energy: 1.3886070153154273
Energy: 1.371492861004587
Energy: 1.2172767935909918
Energy: 1.261468602219987
Energy: 1.2159848476227433
Energy: 1.3968456153220312
Energy: 1.37276410190277
Energy: 1.3973911527884402
Energy: 1.2167869420626072
Energy: 1.2630689685197154
Energy: 1.223075219509011
Energy: 1.3657908506813325
Energy: 1.371942305337367
Energy: 1.223198741644176
Energy: 1.224092878062807
Energy: 1.075052241383019
Energy: 1.2162662179719768
Energy: 1.341021210659814
Energy: 1.3809129955588288
Energy: 1.2165699115060524
Energy: 1.2173521331114359
Energy: 1.0792768052292252
Energy: 1.078198168260863
Energy: 1.3506518620240686
Energy: 1.4142209895400666
Energy: 1.2232486834096934
Energy: 1.0787173789045164
Energy: 1.0862304842584287
Energy: 1.0850738608806594
Energy: 1.3545186964940321
Energy: 1.3970130107392045
Energy: 1.2831814551574479
Energy: 1.0850225201594743
Energy: 1.0741357390961006
Energy: 1.0729508193121546
Energy: 1.2232653587186195
Energy: 1.3761545978782606
Energy: 1.22269488485469
Energy: 1.0732675400113894
Energy: 1.306260979027224
Energy: 1.2177427295887127
Energy: 1.2168738033788558
Energy: 1.3759873428013296
Energy: 1.2227446442563672
Energy: 1.2177254808717513
Energy: 1.266049865948576
Energy: 1.2178273561235216
Energy: 1.3542300618235719
Energy: 1.3731712759309163
Energy: 1.2228675503902415
Energy: 1.219552971234851
Energy: 1.2814659470199714
Energy: 1.2163566769783216
Energy: 1.3787115593666648
Energy: 1.4372173905377996
Energy: 1.3886545587319745
Energy: 1.2170717959898203
Energy: 1.2631167294068208
Energy: 1.3726608970109349
Energy: 1.3880762014477617
Energy: 1.3650849754030976
Energy: 1.3869675403936124
Energy: 1.2550958525025033
Energy: 1.4333955494714619
Energy: 1.389707053439154
Energy: 1.3830426060725367
Energy: 1.4350774440806977
Energy: 1.379728503668754
Energy: 1.3716220632948968
Energy: 1.4715464150378639
Energy: 1.3877198463028175
Energy: 1.3729832891719975
Energy: 1.3712587939739918
Energy: 1.3777437751310224
Energy: 1.3712670457139624
Energy: 1.4765944500561539
Energy: 1.3779032922163528
Energy: 1.3713374704656833
Energy: 1.37256836968756
Energy: 1.3798335930458474
Energy: 1.3720446697134971
Energy: 1.908982981002749
Energy: 1.3779790273024948
Energy: 1.3722322424883877
Energy: 1.3713523724592003
Energy: 1.3902033547545993
Energy: 1.3781962026315677
Energy: 1.9059786101806815
Energy: 1.3710833373880493
Energy: 1.2549631928319978
Energy: 1.2168125823904408
Energy: 1.3727538576404246
Energy: 1.388104012377981
Energy: 1.4807977724173806
Energy: 1.4016352900776046
Energy: 1.2159498185945405
Energy: 1.2169195628211338
Energy: 1.2162647650064975
Energy: 1.397227867566396
Energy: 1.4609956208720905
Energy: 1.2459707258673471
Energy: 1.2719695739855472
Energy: 1.2264836094342917
Energy: 1.2661929443452613
Energy: 1.3551338210374864
Energy: 1.8969141416162092
Energy: 1.2167329196690198
Energy: 1.2164814744906658
Energy: 1.2168427237845862
Energy: 1.2168805374016005
Energy: 1.3405969374112459

minimum gb energy = 1.0729508193121546 eV
minimum distance =  2.20502318511062 Angstroms
sigma value = 57


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

Energy: 1.6931971522781744
Energy: 1.5139143810030493
Energy: 1.1718969606831897
Energy: 1.1720429800594654
Energy: 1.3486739808618138
Energy: 1.5140811005950385
Energy: 1.6561268610251216
Energy: 1.3531177458727761
Energy: 1.162421158652676
Energy: 1.1697819398449099
Energy: 1.169554674695783
Energy: 1.4863350158043838
Energy: 1.6993246651131981
Energy: 1.3521385823882253
Energy: 1.1762183753035778
Energy: 1.1766375782791332
Energy: 1.1765099949268876
Energy: 1.4838414370582862
Energy: 1.6767357568795855
Energy: 1.3480364304114851
Energy: 1.1670640069549068
Energy: 1.1661151959638087
Energy: 1.3444407908948548
Energy: 1.496707100736969
Energy: 1.6666613372500418
Energy: 1.3466499464299706
Energy: 1.3449854287761223
Energy: 1.421463922796326
Energy: 1.3576599976346837
Energy: 1.496430767854667
Energy: 1.702681741569258
Energy: 1.3533574714791472
Energy: 1.3859507187750253
Energy: 1.344121323368645
Energy: 1.3529640809024304
Energy: 1.5130715935085362
Energy: 1.680797343983636
Energy: 1.5027641274869727
Energy: 1.3444938364196632
Energy: 1.3461867209069807
Energy: 1.3458139372472833
Energy: 1.4997702278420306
Energy: 1.4353162305661378
Energy: 1.541929137236303
Energy: 1.5145802907638461
Energy: 1.1718757679728744
Energy: 1.5313443195192766
Energy: 1.5297833374139325
Energy: 1.410252687203841
Energy: 1.5248598810559055
Energy: 1.5191508319415197
Energy: 1.4994056024727882
Energy: 1.5315466506520294
Energy: 1.5133611760477321
Energy: 1.4066771472144601
Energy: 1.348273223601692
Energy: 1.501494247265972
Energy: 1.589907515995412
Energy: 1.4837015435781942
Energy: 1.3466605559512672
Energy: 1.4317102482157915
Energy: 1.3524426434101275
Energy: 1.483249912918389
Energy: 1.5345719644540559
Energy: 1.3520299068169055
Energy: 1.3590067523798428
Energy: 1.4115518549979413
Energy: 1.344219169634741
Energy: 1.3474758638922655
Energy: 1.53203362577264
Energy: 1.3479584594142133
Energy: 1.3449282481521734
Energy: 1.1671974604373978
Energy: 1.1667667332471472
Energy: 1.4799234512139772
Energy: 1.480329271318372
Energy: 1.343623087060088
Energy: 1.16703278604445
Energy: 1.169099493887666
Energy: 1.175771008109649
Energy: 1.4866251121073135
Energy: 1.534926594743235
Energy: 1.175850256232468
Energy: 1.176530877693308
Energy: 1.1652494896462549
Energy: 1.1723135974950647
Energy: 1.3694960959494413
Energy: 1.5353151923955697
Energy: 1.367887658422317
Energy: 1.1624253283265278
Energy: 1.167084137773972
Energy: 1.3449592923115434
Energy: 1.5255914595172437
Energy: 1.4824296470829106
Energy: 1.345993156784299
Energy: 1.1678363978551944
Energy: 1.4157133040300414
Energy: 1.3818862450538607
Energy: 1.3699273686206472
Energy: 1.3441214928532585
Energy: 1.3482096274571183
Energy: 1.3502054120208833
Energy: 1.417532421429905
Energy: 1.3643903058406646
Energy: 1.5119554875599774
Energy: 1.53448660623468
Energy: 1.3483930740621315
Energy: 1.36078475034425
Energy: 1.4483609702123046
Energy: 1.3449678688180844
Energy: 1.5018651130006824
Energy: 1.5005368487673318
Energy: 1.48558665496114
Energy: 1.3449315942578508
Energy: 1.7134097428529926
Energy: 1.5205865224397146
Energy: 1.5087143165195522
Energy: 1.5012045447239908
Energy: 1.5010279207692596
Energy: 1.5210777618945432
Energy: 1.682220792320826
Energy: 1.5020917764245858
Energy: 1.3579912658851667
Energy: 1.3451852679506378
Energy: 1.5012680883933966
Energy: 1.5222772774930635
Energy: 1.6725515688763264
Energy: 1.5090911947360475
Energy: 1.3448424612826018
Energy: 1.3443110266650844
Energy: 1.3468897253551682
Energy: 1.520643431276468
Energy: 1.6718780476954473
Energy: 1.3521777601867502
Energy: 1.3761394660484625
Energy: 1.344090435469348
Energy: 1.3863330504353641
Energy: 1.4837113350115505
Energy: 1.6496432656080762
Energy: 1.3478815098909696
Energy: 1.3443914216806292
Energy: 1.1709976493417218
Energy: 1.3450125248389058
Energy: 1.4803675405484114

minimum gb energy = 1.162421158652676 eV
minimum distance =  2.20107649978058 Angstroms
sigma value = 17


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

Energy: 2.2501456225771452
Energy: 1.6529189768171444
Energy: 1.2904889900418601
Energy: 1.290355954058007
Energy: 1.4882549042526694
Energy: 1.6499590475318087
Energy: 1.2670657636102556
Energy: 1.4937724589688472
Energy: 1.2719510961343905
Energy: 1.2727558788428328
Energy: 1.2721142989027012
Energy: 1.645626131800121
Energy: 1.2880446890898942
Energy: 1.511570119838721
Energy: 1.2728192396702507
Energy: 1.2728114331401181
Energy: 1.293207568327516
Energy: 1.6506581719139695
Energy: 1.6424243985313127
Energy: 1.4857478332179113
Energy: 1.2723117563137765
Energy: 1.2739141305811315
Energy: 1.4744195906535975
Energy: 1.5195702150945916
Energy: 1.6429818991875336
Energy: 1.4973781855584454
Energy: 1.4728371533235942
Energy: 1.2723228846935946
Energy: 1.4717954708750471
Energy: 1.495582572605816
Energy: 1.2874115622787172
Energy: 1.4966375882972598
Energy: 1.4981981291024198
Energy: 1.2484250415262348
Energy: 1.4969934070312771
Energy: 1.4855172836459192
Energy: 1.2716308004717687
Energy: 1.4719183094753925
Energy: 1.4789605324286068
Energy: 1.2874315707409125
Energy: 1.476614080754675
Energy: 1.4716526784415558
Energy: 1.2874535316521085
Energy: 1.4927826340112276
Energy: 1.493267418315936
Energy: 1.2872454103996454
Energy: 1.4973077065151799
Energy: 1.4931781841178484
Energy: 1.2721012806706025
Energy: 1.474914486819702
Energy: 1.6423645881249966
Energy: 1.6383466352560725
Energy: 1.4855884537536703
Energy: 1.4727157798549901
Energy: 1.2719721619827833
Energy: 1.271962549208089
Energy: 1.495921826009367
Energy: 1.4700041222214342
Energy: 1.471536621271872
Energy: 1.2719035329402275
Energy: 1.2836837472194527
Energy: 1.292738763819221
Energy: 1.5140260835485977
Energy: 1.2879383368061186
Energy: 1.2905462898660134
Energy: 1.292857808441318
Energy: 1.2722633155289684
Energy: 1.2720537268478525
Energy: 1.4959050005398897
Energy: 1.464727642476681
Energy: 1.4720779302296807
Energy: 1.272239731466629
Energy: 1.287748483761973
Energy: 1.486075869067733
Energy: 1.5039793995889865
Energy: 1.4648080667893217
Energy: 1.4944472946941902
Energy: 1.4753722610351172
Energy: 1.2477371081065878
Energy: 1.4933640189225679
Energy: 1.5085731737793475
Energy: 1.2874298118723415
Energy: 1.4969757831248705
Energy: 1.2477646105114364
Energy: 1.2716908491478345
Energy: 1.471233517845338
Energy: 1.472383274233704
Energy: 1.2716738620509525
Energy: 1.3612649469753437
Energy: 1.4717771182315167
Energy: 1.2880563960758262
Energy: 1.4911146614599982
Energy: 1.511832552701221
Energy: 1.4730160720638283
Energy: 1.496537240407554
Energy: 1.4787459904689686
Energy: 2.047583985013399
Energy: 1.472500467065382
Energy: 1.4727053652544977
Energy: 1.2876800263063624
Energy: 1.4719925672188936
Energy: 1.6367320566619588

minimum gb energy = 1.2477371081065878 eV
minimum distance =  2.21003508597847 Angstroms
sigma value = 17


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

Energy: 2.441583774763889
Energy: 1.5939631329471136
Energy: 1.3265537205965643
Energy: 1.3246834453682483
Energy: 1.325792253159756
Energy: 1.7778417170460674
Energy: 1.3471952324020766
Energy: 1.509338635523548
Energy: 1.3218498940900618
Energy: 1.3209151995917237
Energy: 1.3197530650375164
Energy: 1.5047501946503203
Energy: 1.3247485886045853
Energy: 1.5909069839826107
Energy: 1.3274291141964816
Energy: 1.3222077534081695
Energy: 1.38383289017973
Energy: 1.6454170377035782
Energy: 1.8303338952636408
Energy: 1.7117278709881387
Energy: 1.3331470250080777
Energy: 1.342397385162397
Energy: 1.499732160827658
Energy: 1.7652868622215079
Energy: 1.8216372003417702
Energy: 1.7153786590071856
Energy: 1.6333780484889127
Energy: 1.3294705765078658
Energy: 1.706316129998519
Energy: 1.637994271441808
Energy: 1.333633035609874
Energy: 1.659015663799467
Energy: 1.6798509051980495
Energy: 1.5484077029166161
Energy: 1.7360624364444952
Energy: 1.3342974647521115
Energy: 1.3313363351769525
Energy: 1.3331083564170694
Energy: 1.639942113548841
Energy: 1.449462652345145
Energy: 1.4612034873188078
Energy: 1.324548385036857
Energy: 1.3199091748748395
Energy: 1.3191274122383883
Energy: 1.4870290850443169
Energy: 1.3309642305034086
Energy: 1.3333998477166986
Energy: 1.3202321721751242
Energy: 1.3267943754876599
Energy: 1.3248468547236956
Energy: 1.6504488874569556
Energy: 1.6590661860540599
Energy: 1.4845231429032564
Energy: 1.3400139558974347
Energy: 1.5075512259832278
Energy: 1.4797268671147548
Energy: 1.5301156686622794
Energy: 1.3812679737762847
Energy: 1.5166507050704698
Energy: 1.4693485116446494
Energy: 1.512886081141429
Energy: 1.4872701053897963
Energy: 1.6492560016667812
Energy: 1.4898074913667212
Energy: 1.5152096354240536
Energy: 1.474200728117631
Energy: 1.5186664564756456
Energy: 1.4636511140325312
Energy: 1.6482828450711622
Energy: 1.5697700938579628
Energy: 1.6319999790305506
Energy: 1.4656615503957386
Energy: 1.3889999104325081
Energy: 1.6603568568651867
Energy: 1.6285748796295936
Energy: 1.5603015670703533
Energy: 1.6326006007576805
Energy: 1.6439710745686313
Energy: 2.0124963911310507
Energy: 1.6848869967974698
Energy: 1.6831101787469074
Energy: 1.299788037176499
Energy: 1.689026372873288
Energy: 1.8277600850820122
Energy: 1.6602225334636433
Energy: 1.6441601400620431
Energy: 1.2999252758373239
Energy: 1.300473040619038
Energy: 1.3005059781461579
Energy: 1.6253910210468843
Energy: 1.3766460766521296
Energy: 1.514404690894134
Energy: 1.307361341890147
Energy: 1.2978780521501172
Energy: 1.3055098037017083
Energy: 1.7375747988183392
Energy: 1.764857822561229
Energy: 1.655642456542365
Energy: 1.3011362539095304
Energy: 1.3070486890537092
Energy: 1.3037027679744286
Energy: 1.640296581223484
Energy: 1.8240944593198063
Energy: 1.64884586124549
Energy: 1.5751871447784345
Energy: 1.4520428209562923
Energy: 1.659788963462954
Energy: 1.6501934439681902
Energy: 1.543586732606023
Energy: 1.6508464929426323
Energy: 1.6224093540944107
Energy: 1.5758877135368188
Energy: 1.631111656239527
Energy: 1.466064116923438
Energy: 1.498776781220907
Energy: 1.490999798912931
Energy: 1.6504735679981413
Energy: 1.487372872561725
Energy: 1.6503349866882342
Energy: 1.4635677694692777
Energy: 1.514196469434551
Energy: 1.490966339903761
Energy: 1.6135773764802395
Energy: 1.3345887745362606
Energy: 1.4849249421861548
Energy: 1.4731281730213417
Energy: 1.4839999612053925
Energy: 1.4669425027800886
Energy: 1.5916469222633587
Energy: 1.6882319981463338
Energy: 1.4645178142619246
Energy: 1.4642862418913216
Energy: 1.3222908148425554
Energy: 1.3263683896543763
Energy: 1.4791460354719057
Energy: 1.6471596939966158
Energy: 1.504897676746605
Energy: 1.3358771844420783
Energy: 1.3317442790760685
Energy: 1.3215725418697035
Energy: 1.5944967461098438
Energy: 1.3325778490860087
Energy: 1.3219908424247173
Energy: 1.321585940796742
Energy: 1.3387285719299244
Energy: 1.323300753269067
Energy: 1.7110922543325555
Energy: 1.6105348889654494
Energy: 1.6397239407638748
Energy: 1.3448566309687227
Energy: 1.3341169626333844
Energy: 1.7109627607095672
Energy: 1.72521919090479
Energy: 1.4299791082534725
Energy: 1.7098452932752755
Energy: 1.649572473153899
Energy: 2.0159767083163453
Energy: 1.6454192184584182
Energy: 1.713907553548999
Energy: 1.3267110409578635
Energy: 1.729991266197098
Energy: 1.6744246453436913
Energy: 1.991452932653699
Energy: 1.7113070525958765
Energy: 1.3417680911926682
Energy: 1.3350405985409894
Energy: 1.3464346646739889
Energy: 1.6451526424482508
Energy: 1.326990406687497
Energy: 1.3208665342722405
Energy: 1.3226013249593147
Energy: 1.3214089206185409
Energy: 1.3206158817598104
Energy: 1.4490976899971482
Energy: 1.811284718820244
Energy: 1.500553820730819
Energy: 1.324582725126215
Energy: 1.323583885685959
Energy: 1.323374159958893
Energy: 1.6430688391995254
Energy: 1.822443113874018
Energy: 1.4827161592917149
Energy: 1.4660726167133566
Energy: 1.5219671741382927
Energy: 1.4635585249464407
Energy: 1.6531097526486749
Energy: 1.3346261720315673
Energy: 1.5254249772236488
Energy: 1.493460294179007
Energy: 1.4695212036062137
Energy: 1.511319720646815
Energy: 1.5743024410730713
Energy: 1.8319471300471244
Energy: 1.6523885879759668
Energy: 1.469229188894401
Energy: 1.4672078707970986
Energy: 1.484545087330484
Energy: 1.5695575029455053
Energy: 1.8420614690556403
Energy: 1.629945015907932
Energy: 1.6096343443721977
Energy: 1.3784185997902265
Energy: 1.6431667742501759
Energy: 1.632982200098395
Energy: 1.463822423933527
Energy: 1.5663756488420926
Energy: 1.687152010925539
Energy: 1.5545551185158302
Energy: 1.6508997036534077
Energy: 1.5734761482795732
Energy: 1.3122134004488903
Energy: 1.301235690593743
Energy: 1.6628193160153115
Energy: 1.5560071712846428
Energy: 1.5759661388216404
Energy: 1.3086539217996187
Energy: 1.3045385438274246
Energy: 1.3048794023442618
Energy: 1.6686211496585104
Energy: 1.3767464474173148
Energy: 1.3023395184213367
Energy: 1.3026014767774803
Energy: 1.3107232448601431
Energy: 1.308057163595239
Energy: 1.6635612475403816
Energy: 1.461521433118725
Energy: 1.5218773785866142
Energy: 1.29925294870116
Energy: 1.32757766834207
Energy: 1.6860956630563315
Energy: 1.7577724802239998
Energy: 1.6556659697983909
Energy: 1.6947392837607689
Energy: 1.4550069589830832
Energy: 1.658535744962313
Energy: 1.6260354309391616
Energy: 1.6456534057809447
Energy: 1.3753814845982373
Energy: 1.6433437278175491
Energy: 1.6288869225953322
Energy: 1.825297530952132
Energy: 1.6473346096511692
Energy: 1.467011400067142
Energy: 1.5121605874526811
Energy: 1.46399766248891
Energy: 1.646782952960347
Energy: 1.5217823951182576
Energy: 1.504919768781941
Energy: 1.4815077905351821
Energy: 1.3246157631832531
Energy: 1.5088715161137907
Energy: 1.5795481625579273
Energy: 1.64938596754344
Energy: 1.5266911311831073
Energy: 1.4654065864447066
Energy: 1.4987231187925185
Energy: 1.4755309638592016
Energy: 1.638159345485233

minimum gb energy = 1.2978780521501172 eV
minimum distance =  2.14979462281944 Angstroms
sigma value = 57


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

Energy: 1.98270493964946
Energy: 1.845737768635227
Energy: 1.360342742119195
Energy: 1.5581978870684854
Energy: 1.7189874837829782
Energy: 1.8456880231545307
Energy: 1.3983531466053067
Energy: 1.561226211135606
Energy: 1.3360354564384072
Energy: 1.335390671416346
Energy: 1.337303050283067
Energy: 1.5284567230488908
Energy: 1.3625026794171808
Energy: 1.5478701667986308
Energy: 1.3688795269185086
Energy: 1.3408322187350017
Energy: 1.4351134737666713
Energy: 1.6993413905123262
Energy: 1.6333692838608096
Energy: 1.7107758835946902
Energy: 1.3499842155038713
Energy: 1.3553094961058367
Energy: 1.5263196063326328
Energy: 1.7037641369969934
Energy: 1.644881601335072
Energy: 1.6996604786330132
Energy: 1.6900499602445684
Energy: 1.8291428048315488
Energy: 1.670733324252225
Energy: 1.754912741158833
Energy: 1.34182865411021
Energy: 1.5277675228271177
Energy: 1.653507436498226
Energy: 1.3033057690771062
Energy: 1.749103754153126
Energy: 1.3428267958584172
Energy: 1.3352516749880077
Energy: 1.336559533802778
Energy: 1.7129803895688425
Energy: 1.6596216644484083
Energy: 1.5532191132091264
Energy: 1.3360511844999368
Energy: 1.3359408905654586
Energy: 1.3354495761861414
Energy: 1.5814490346143828
Energy: 1.3522245360247689
Energy: 1.3604724899618823
Energy: 1.3379213816689466
Energy: 1.3407393463291453
Energy: 1.3422576344345385
Energy: 1.7297445071790172
Energy: 1.5118847019028014
Energy: 1.5960184642710633
Energy: 1.3413566916538138
Energy: 1.638648776567651
Energy: 1.5245940553206954
Energy: 1.588343421598062
Energy: 1.548081035174658
Energy: 1.5942997762745752
Energy: 1.5378411965488203
Energy: 1.3628878861723228
Energy: 1.5420666661273905
Energy: 1.5564031598421004
Energy: 1.6746434434815047
Energy: 1.565963428804845
Energy: 1.5288703995271682
Energy: 1.3540453906402068
Energy: 1.5643860249233525
Energy: 1.5249783079474706
Energy: 1.3509393834600545
Energy: 1.5318083805185925
Energy: 1.5285592298063069
Energy: 1.37311088216971
Energy: 1.5526482274647992
Energy: 1.5255719457196815
Energy: 1.3376875356718456
Energy: 1.5254784593761563
Energy: 1.7579196091578813
Energy: 1.918881042768716
Energy: 1.523713844000615
Energy: 1.5250999882380925
Energy: 1.35519156933755
Energy: 1.5465061722476565
Energy: 1.6615528711980407
Energy: 1.394597952417124
Energy: 1.569698530091889
Energy: 1.3571378904174198
Energy: 1.3441948727653756
Energy: 1.3363844289904412
Energy: 1.5187224119111296
Energy: 1.3546938055824356
Energy: 1.535617018342595
Energy: 1.356138259984374
Energy: 1.3335653655574344
Energy: 1.336423767826006
Energy: 1.7086522394915928
Energy: 1.6339828603773814
Energy: 1.7009920771622533
Energy: 1.344067209058411
Energy: 1.3514934117625268
Energy: 1.3384737263342508
Energy: 1.7329315927299986
Energy: 1.6445076916037689
Energy: 1.6997932570732264
Energy: 1.702577478122953
Energy: 1.3572210657679122
Energy: 1.69155564828746
Energy: 1.761766086240979
Energy: 1.3416160923185534
Energy: 1.744839078803383
Energy: 1.6492257139071018
Energy: 1.6860488528055868
Energy: 1.7748202486701639
Energy: 1.3425252852360403
Energy: 1.3362352178738346
Energy: 1.3375143239411134
Energy: 1.7079570246556939
Energy: 1.6664401301566962
Energy: 1.5502287580080294
Energy: 1.3368947138182197
Energy: 1.3374050800432524
Energy: 1.3355321076451736
Energy: 1.6106819324068173
Energy: 1.3549557123721834
Energy: 1.343475190706411
Energy: 1.3362365648056187
Energy: 1.3506181291080936
Energy: 1.3440545550093892
Energy: 1.7206739615132882
Energy: 1.5242236094191508
Energy: 1.5265629856305993
Energy: 1.3410149573506769
Energy: 1.360341674689351
Energy: 1.5285247874945183
Energy: 1.5398174682171617
Energy: 1.3720843457160787
Energy: 1.5542894585280016
Energy: 1.5247397106593732
Energy: 1.365476558817603
Energy: 1.537439439890999
Energy: 1.55952163962673
Energy: 1.6800457762968135
Energy: 1.57387247543877
Energy: 1.5404382230358724
Energy: 1.3563218604943164
Energy: 1.5755146052120028
Energy: 1.5309624690335562
Energy: 1.5473408456599667
Energy: 1.5477344771246144
Energy: 1.528565819293883
Energy: 1.3671652377016184
Energy: 1.5755087410407032
Energy: 1.5549807541754734
Energy: 1.5258477054473571
Energy: 1.5363943443605415
Energy: 1.5053254943893024
Energy: 1.9134937656043913
Energy: 1.5450636786229448
Energy: 1.5260063237503945
Energy: 1.3547388693040372
Energy: 1.5489104266040288
Energy: 1.7301639241095776

minimum gb energy = 1.3033057690771062 eV
minimum distance =  2.17003530470842 Angstroms
sigma value = 43


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

Energy: 2.4476066536580645
Energy: 1.7134891511247077
Energy: 1.4110914892501907
Energy: 1.4071693737721511
Energy: 1.5684208973010223
Energy: 1.770831942059032
Energy: 1.396888143512572
Energy: 1.3665028563485186
Energy: 1.3666378710402338
Energy: 1.365493664004158
Energy: 1.3683514023807253
Energy: 1.5631224781014637
Energy: 1.526641300094053
Energy: 1.6862848563182307
Energy: 1.3764281746516591
Energy: 1.3704998574458513
Energy: 1.3714871764800955
Energy: 1.721212200705337
Energy: 1.5085292776132282
Energy: 1.7014306607048864
Energy: 1.3785236757566786
Energy: 1.4085322995161238
Energy: 1.5523176170666875
Energy: 1.70041878781789
Energy: 1.6150653491959959
Energy: 1.680559777314374
Energy: 1.7032525739822733
Energy: 1.403345759148696
Energy: 1.6821587683069275
Energy: 1.6885297714568326
Energy: 1.3572007871118081
Energy: 1.3405301057547758
Energy: 1.7684516493651465
Energy: 1.6397970034425462
Energy: 1.7528698126980324
Energy: 1.3548270423676239
Energy: 1.3351546093540463
Energy: 1.3365370242246057
Energy: 1.700280700928339
Energy: 1.4450939947598616
Energy: 1.3367302602275133
Energy: 1.337252179812699
Energy: 1.3420919270468115
Energy: 1.3370546208657883
Energy: 1.691672211371025
Energy: 1.4442128109184729
Energy: 1.335999319627858
Energy: 1.3376008888716953
Energy: 1.3462512382492795
Energy: 1.3484644949374962
Energy: 1.6897591234652287
Energy: 1.6919265025568153
Energy: 1.7176581523750092
Energy: 1.3461354733137596
Energy: 1.6936067886146862
Energy: 1.687916574166735
Energy: 1.7074750066481692
Energy: 1.443198214977832
Energy: 1.6867163585958311
Energy: 1.6826918674676774
Energy: 1.8010495841304215
Energy: 1.6806663773127926
Energy: 1.3819154109046052
Energy: 1.3808017580070928
Energy: 1.6888124458313698
Energy: 1.6228920646016294
Energy: 1.6118715865981506
Energy: 1.6904238979465045
Energy: 1.3690917016640345
Energy: 1.376866808975547
Energy: 1.3708009606383837
Energy: 1.7434125421328368
Energy: 1.407988284142496
Energy: 1.3680156971490525
Energy: 1.3670302119620812
Energy: 1.3658295938874672
Energy: 1.409865460367217
Energy: 1.5962266202071373
Energy: 1.5931490711309741
Energy: 1.5789420665829355
Energy: 1.3831190286658641
Energy: 1.3802383748110163
Energy: 1.381221228109272
Energy: 1.7176140117786012
Energy: 1.4418902513007348
Energy: 1.5209629553564108
Energy: 1.5278908766303272
Energy: 1.3671281743393544
Energy: 1.535039756713651
Energy: 1.5223116072755856
Energy: 1.6300394998746486
Energy: 1.539307644612496
Energy: 1.5232748981116284
Energy: 1.5223075291755903
Energy: 1.5386746671606237
Energy: 1.526784055901883
Energy: 1.5996099186363812
Energy: 1.531654343588815
Energy: 1.5554411051278298
Energy: 1.6216896573250932
Energy: 1.6079048019034232
Energy: 1.5236677534850689
Energy: 1.5980931029320369
Energy: 1.5357776094644624
Energy: 1.5734850347360612
Energy: 1.4079432880414846
Energy: 1.525979221375963
Energy: 1.524225276943021
Energy: 1.4070873352780116
Energy: 1.4926341877787954
Energy: 1.7115089980554892
Energy: 1.7697229240689059
Energy: 1.521349513990741
Energy: 1.376601901710841
Energy: 1.3671981531855093
Energy: 1.3676385121757346
Energy: 1.5531657776111836
Energy: 1.4092261515661924
Energy: 1.367623987458844
Energy: 1.3723317164391544
Energy: 1.3660601056791146
Energy: 1.3697835768107993
Energy: 1.6838606180946818
Energy: 1.6143439437656033
Energy: 1.5414855877012263
Energy: 1.3689845426293732
Energy: 1.3949455756413867
Energy: 1.3786637784103177
Energy: 1.682429102569591
Energy: 1.3356436828374416
Energy: 1.680886727709414
Energy: 1.3851628711029744
Energy: 1.4023756418481055
Energy: 1.6813319318973745
Energy: 1.6801083271689288
Energy: 1.3673178460368887
Energy: 1.6869434981463989
Energy: 1.6959531237095586
Energy: 1.8009777348633749
Energy: 1.7483480456011187
Energy: 1.3466006162156368
Energy: 1.3500595247621874
Energy: 1.6027640959023983
Energy: 1.7929464448745183
Energy: 1.4429217622967145
Energy: 1.55875459636749
Energy: 1.3372254331938143
Energy: 1.3365316830429441
Energy: 1.3367650851526858
Energy: 1.7742229582514777
Energy: 1.4456747928040794
Energy: 1.55337985586393
Energy: 1.3381928677946777
Energy: 1.3465304598038526
Energy: 1.3353567295669635
Energy: 1.7748195710141146
Energy: 1.592852793560193
Energy: 1.6846019769399814
Energy: 1.3459509649697563
Energy: 1.3472918665825868
Energy: 1.552583499594866
Energy: 1.7058648653966848
Energy: 1.5563697310821143
Energy: 1.693645764042421
Energy: 1.6822414547710354
Energy: 1.5981469409366915
Energy: 1.6816505795337617
Energy: 1.6897342326230846
Energy: 1.3848385279125566
Energy: 1.385109830710465
Energy: 1.6919437392405643
Energy: 1.6268594014476156
Energy: 1.677995003456882
Energy: 1.3878103731866294
Energy: 1.3755585481174717
Energy: 1.3704814297681218
Energy: 1.6826785144428695
Energy: 1.5991335032183651
Energy: 1.548009893475839
Energy: 1.3705310244773028
Energy: 1.3647302002450656
Energy: 1.3693818885741753
Energy: 1.5573025946008812
Energy: 1.4123535077264793
Energy: 1.3648752580548364
Energy: 1.3675076288462151
Energy: 1.379617667089815
Energy: 1.377932974502849
Energy: 1.7178317110792596
Energy: 1.467138340854475
Energy: 1.5182992994665898
Energy: 1.378260875495875
Energy: 1.6118744731896608
Energy: 1.5235541664997483
Energy: 1.5341920875286512
Energy: 1.4432287975151015
Energy: 1.5482093397360936
Energy: 1.5218991123374528
Energy: 1.608332855545483
Energy: 1.5332517774566565
Energy: 1.5296726481938954
Energy: 1.6004526766515923
Energy: 1.5993188238090799
Energy: 1.5197208104055553
Energy: 1.6690791967300915
Energy: 1.528994627347342
Energy: 1.5320626781256808
Energy: 1.5257646012815984
Energy: 1.538662729237473
Energy: 1.5275157274791467
Energy: 1.3987561452950101
Energy: 1.5438781274926145
Energy: 1.5269265171316597
Energy: 1.3669329135403945
Energy: 1.5489083919615594
Energy: 1.523002614233733

minimum gb energy = 1.3351546093540463 eV
minimum distance =  2.14009499841081 Angstroms
sigma value = 81


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

Energy: 1.3237089334277488
Energy: 1.3390723015257258
Energy: 1.3511157426137115
Energy: 1.5541264941286022
Energy: 1.6222718238917617
Energy: 1.3390989023749462
Energy: 1.3388757890125642
Energy: 1.4086960401055488
Energy: 1.3448197193031954
Energy: 1.3451305590581606
Energy: 1.3545921261042526
Energy: 1.4063866816374988
Energy: 1.4111822299641883
Energy: 1.4070491556919782
Energy: 1.3440070587545323
Energy: 1.3435559854251498
Energy: 1.3458374493564462
Energy: 1.4066816405798217
Energy: 1.4120471077064847
Energy: 1.4068444799593283
Energy: 1.3446335827586404
Energy: 1.3456839614748641
Energy: 1.4082981621628259
Energy: 1.4101951000070476
Energy: 1.4118578824413075
Energy: 1.4092977124198474
Energy: 1.4062708441459555
Energy: 1.339424470745527
Energy: 1.4102461699461624
Energy: 1.4068190006232286
Energy: 1.3550233126709212
Energy: 1.3464574510689882
Energy: 1.339182573352324
Energy: 1.3270032528014972
Energy: 1.4064979491275769
Energy: 1.345168158614663
Energy: 1.3533215080845336
Energy: 1.354287412578914
Energy: 1.4065595523713503
Energy: 1.3449644620993821
Energy: 1.5530855387798528
Energy: 1.3446768975991936
Energy: 1.3535062263085234
Energy: 1.3449760967647582
Energy: 1.406544180527949
Energy: 1.4077163315950838
Energy: 1.4068914255164113
Energy: 1.351817468375366
Energy: 1.3552379658237146
Energy: 1.3453105926026803
Energy: 1.407312189617301
Energy: 1.409943786377619
Energy: 1.4066782542322547
Energy: 1.344993570115613
Energy: 1.3383633939429849
Energy: 1.4085726748042888
Energy: 1.4069003252033758
Energy: 1.4092439566721555
Energy: 1.4110589154303554
Energy: 1.406485937242439

minimum gb energy = 1.3237089334277488 eV
minimum distance =  2.2285201522866 Angstroms
sigma value = 3


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

Energy: 2.473882580268249
Energy: 1.497529068582562
Energy: 1.6032080556204211
Energy: 1.5968920378908287
Energy: 1.601250005923012
Energy: 1.6170427230003541
Energy: 1.539872994586547
Energy: 1.4300491374039759
Energy: 1.508407088479628
Energy: 1.4890100459298006
Energy: 1.5324871109403917
Energy: 1.5243137440152945
Energy: 1.504588762214796
Energy: 1.3362398477215567
Energy: 1.5195200839075014
Energy: 1.480686084552717
Energy: 1.442410045503558
Energy: 1.4989136536495957
Energy: 1.4818773097937985
Energy: 1.5159301809929957
Energy: 1.4923598940710516
Energy: 1.4957971940882708
Energy: 1.5623409249451914
Energy: 1.5201290605575153
Energy: 1.4940730531613733
Energy: 1.516843888655258
Energy: 1.336009200112439
Energy: 1.6685126911867
Energy: 1.557240501458892
Energy: 1.507297459761927
Energy: 1.5523217039785733
Energy: 1.6369423972007466
Energy: 1.3264554098918129
Energy: 1.4900586680101342
Energy: 1.6403796377295585
Energy: 1.6786384847118025
Energy: 1.6028517753297962
Energy: 1.5383899237254879
Energy: 1.6642135148671777
Energy: 1.5330376419858862
Energy: 1.6609316300234955
Energy: 1.5375928422305476
Energy: 1.6026027962372307
Energy: 1.6572400984965039
Energy: 1.3365029206454535
Energy: 1.3371018481838626
Energy: 1.3405915003084203
Energy: 1.516821955281483
Energy: 1.699312669057908
Energy: 1.3429858491337485
Energy: 1.3438544879475558
Energy: 1.3406734767748631
Energy: 1.349361530305008
Energy: 1.6949962170914463
Energy: 1.698432722661944
Energy: 1.3412108424391112
Energy: 1.3317642495535946
Energy: 1.3336780089084375
Energy: 1.335553945315287
Energy: 1.6283474572452596
Energy: 1.6750770165540858
Energy: 1.5983202589941108
Energy: 1.6023378445993286
Energy: 1.5618616162602235
Energy: 1.5777028771956083
Energy: 1.8017255820522875
Energy: 1.698596160852164
Energy: 1.7518910111493928
Energy: 1.3396086842489743
Energy: 1.7228243173264801
Energy: 1.5867617096333486
Energy: 1.7240162052258567
Energy: 1.4208785004244036
Energy: 1.4157927463238573
Energy: 1.3464730685194126
Energy: 1.722533657835731
Energy: 1.4937659691771248
Energy: 1.4290334191353642
Energy: 1.3831517273163416
Energy: 1.4389484718913381
Energy: 1.5279719874047617
Energy: 1.6073105505341543
Energy: 1.4619476919475847
Energy: 1.4161833388951102
Energy: 1.3801489182643902
Energy: 1.3972601394217001
Energy: 1.3411651477139164
Energy: 1.6095784486194584
Energy: 1.5006252077690294
Energy: 1.4373417462102773
Energy: 1.4419504086820407
Energy: 1.7019934999649038
Energy: 1.7017034286698385
Energy: 1.608023359029859
Energy: 1.7013944734557522
Energy: 1.6526163068424862
Energy: 1.730392711263381
Energy: 1.3322022620319627
Energy: 1.7077064690123116
Energy: 1.6092872454203233
Energy: 1.7074064434449803
Energy: 1.2927767851196859
Energy: 1.7303308743250307
Energy: 1.4729689854310448
Energy: 1.497446395747433
Energy: 1.4048707668638751
Energy: 1.3382629649757565
Energy: 1.2928926074425469
Energy: 1.5570925528055883
Energy: 1.495591128460476
Energy: 1.480812713284203
Energy: 1.4778313991966574
Energy: 1.4874671996446858
Energy: 1.5892217738523062
Energy: 1.5330186413208913
Energy: 1.6014506668575819
Energy: 1.4979163362141104
Energy: 1.484687588521451
Energy: 1.4892551948088406
Energy: 1.5762630951301926
Energy: 1.5321279216398291
Energy: 1.5967707069729598
Energy: 1.2942550260060963
Energy: 1.4014145141425092
Energy: 1.594088683999498
Energy: 1.5943210083280182
Energy: 1.552970857303247
Energy: 1.531910860005409
Energy: 1.327250471324724
Energy: 1.5116978715340572
Energy: 1.7248860317531516
Energy: 1.5538336250061822
Energy: 1.6895405988819554
Energy: 1.530177017893351
Energy: 1.422145433048992
Energy: 1.6691893549096446
Energy: 1.6792394511629212
Energy: 1.5484053501384818
Energy: 1.6040610521779124
Energy: 1.7561521826934383
Energy: 1.332677489280423
Energy: 1.3323318347680608
Energy: 1.532855846915897
Energy: 1.7104898513654607
Energy: 1.6897375727927189
Energy: 1.5545803260602689
Energy: 1.3396805514796322
Energy: 1.3322553387024805
Energy: 1.3419185055967122
Energy: 1.6919744863273576
Energy: 1.7007400444134004
Energy: 1.3405854709846008
Energy: 1.3405845222559918
Energy: 1.3364997947021455
Energy: 1.3463432498725276
Energy: 1.758196149803392
Energy: 1.6753642404877045
Energy: 1.634076678268179
Energy: 1.3341046091049267
Energy: 1.375031696791206
Energy: 1.452376176091364
Energy: 1.7841537428996364
Energy: 1.6950544701226495
Energy: 1.3330178757861773
Energy: 1.4914948617704924
Energy: 1.722806237226444
Energy: 1.4994913113202988
Energy: 1.74990878925972
Energy: 1.327524127372981
Energy: 1.329193090446516
Energy: 1.595588389763712
Energy: 1.3303137361256325
Energy: 1.6130473381930965
Energy: 1.3295196878690354
Energy: 1.3279372583780753
Energy: 1.3401090291323237
Energy: 1.6112396711544505
Energy: 1.694468074023737
Energy: 1.3530161776188627
Energy: 1.3377423100623476
Energy: 1.3389477123166833
Energy: 1.337042131930135
Energy: 1.4844935448262893
Energy: 1.6953608508129219
Energy: 1.4869436894898385
Energy: 1.336522316469362
Energy: 1.3288182056814446
Energy: 1.3303817314264632
Energy: 1.7530662790531144
Energy: 1.760371522081936
Energy: 1.7613150739479486
Energy: 1.329757201710591
Energy: 1.5642671529708136
Energy: 1.5022396963893339
Energy: 1.7413150881516035
Energy: 1.699237648042077
Energy: 1.4827271683170287
Energy: 1.5888274956703843

minimum gb energy = 1.2927767851196859 eV
minimum distance =  2.16933026148142 Angstroms
sigma value = 67


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

Energy: 1.9880705720497474
Energy: 1.7126054493193434
Energy: 1.554675681825635
Energy: 1.5449569666238026
Energy: 1.8511001839982872
Energy: 1.7227516288036664
Energy: 1.54833223416663
Energy: 1.4364254434538921
Energy: 1.4975466716377508
Energy: 1.5008250211634055
Energy: 1.5494495396685235
Energy: 1.6557250519572617
Energy: 1.4853677640134892
Energy: 1.3617266800850019
Energy: 1.5540223647233335
Energy: 1.5004449366238146
Energy: 1.4468900715920845
Energy: 1.4834219484025286
Energy: 1.5030567349664665
Energy: 1.5474257760331946
Energy: 1.5456460207691372
Energy: 1.4921407017374433
Energy: 1.3914767908714352
Energy: 1.5428107494471106
Energy: 1.4880315746687263
Energy: 1.5653163079034615
Energy: 1.5378281886010476
Energy: 1.449384962190048
Energy: 1.5792309743258377
Energy: 1.4877031906961273
Energy: 1.5156012562405468
Energy: 1.545352899469473
Energy: 1.8962250317070855
Energy: 1.6004164963120946
Energy: 1.833641206037873
Energy: 1.522889240068674
Energy: 1.688843612420419
Energy: 1.5374791835179296
Energy: 1.8023470001136717
Energy: 1.475591723569413
Energy: 1.5394221961906132
Energy: 1.5433999028003629
Energy: 1.6849896293204445
Energy: 1.7219494773965272
Energy: 1.4601494405109952
Energy: 1.4172440744031078
Energy: 1.3870511725228276
Energy: 1.7927785894539066
Energy: 1.6359059389372894
Energy: 1.417915128106553
Energy: 1.4062227104805733
Energy: 1.3923782091222452
Energy: 1.4119076573593141
Energy: 1.6378381051785809
Energy: 1.5772097674484975
Energy: 1.4810844752962353
Energy: 1.4412306006094509
Energy: 1.3891527362419187
Energy: 1.2740798697701148
Energy: 1.3563316403510695
Energy: 1.5885249628589575
Energy: 1.7675305384340498
Energy: 1.7694089106228834
Energy: 1.4725977197912514
Energy: 1.7679922990481678
Energy: 1.5139713462282725
Energy: 1.63747555211744
Energy: 1.7863584598040654
Energy: 1.2766276071221405
Energy: 1.6289004581490938
Energy: 1.3545850679846023
Energy: 1.4779934014631
Energy: 1.4610250459109397
Energy: 1.2724280950225169
Energy: 1.277251189242692
Energy: 1.623621168303115
Energy: 1.2783758241977232
Energy: 1.272863069463169
Energy: 1.54038789212749
Energy: 1.474190954502274
Energy: 1.4742370048981719
Energy: 1.5484916508984226
Energy: 1.4796025533692454
Energy: 1.4742792079244353
Energy: 1.3848561016599394
Energy: 1.4680679353562562
Energy: 1.6349459614304322
Energy: 1.5513533376605322
Energy: 1.4739104009974162
Energy: 1.2733805121876345
Energy: 1.4575454251879574
Energy: 1.5838720498059125
Energy: 1.6205109942678173
Energy: 1.553638792806887
Energy: 1.6163355344411543
Energy: 1.457581658160951
Energy: 1.6465832053679883
Energy: 1.5130792445862782
Energy: 1.608589722727884
Energy: 1.5941640950426956
Energy: 1.657078732321103
Energy: 1.6613878273442702
Energy: 1.6471900034327218
Energy: 1.5879235734537647
Energy: 1.7599562204658914
Energy: 1.6474772126377948
Energy: 1.4553719192214185
Energy: 1.320837570378972
Energy: 1.3068959390900166
Energy: 1.3112734458917736
Energy: 1.795249131815248
Energy: 1.8066917824736128
Energy: 1.8421178907538136
Energy: 1.3081529935510516
Energy: 1.3045501432452542
Energy: 1.316276399413121
Energy: 1.5484311980761256
Energy: 1.6642209449521665
Energy: 1.323372241721339
Energy: 1.3072226465898658
Energy: 1.3249370039417114
Energy: 1.3353124878870593
Energy: 1.5651891788467194
Energy: 1.6890483050475742
Energy: 1.3350842243811276
Energy: 1.3210574075195094
Energy: 1.3463092577953621
Energy: 1.3457819511413305
Energy: 1.846321441041772
Energy: 1.50151268632799
Energy: 1.7473952937713693
Energy: 1.324061693508659
Energy: 1.545792751936421
Energy: 1.7504404920868573
Energy: 1.8141581174870023
Energy: 1.6876326685796559
Energy: 1.7322452097310945
Energy: 1.4352992863893974

minimum gb energy = 1.2724280950225169 eV
minimum distance =  2.22131235195778 Angstroms
sigma value = 33


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

Energy: 2.400024243910313
Energy: 1.7891199813799228
Energy: 1.5985019207017475
Energy: 1.6056320868211362
Energy: 1.5860763992458171
Energy: 1.8899317276911924
Energy: 1.4419627811120663
Energy: 1.426158036847236
Energy: 1.5845243147034738
Energy: 1.5422566816522902
Energy: 1.6691179771423383
Energy: 1.3623569593698894
Energy: 1.3468118464095895
Energy: 1.2609309348596454
Energy: 1.6542636750505881
Energy: 1.4274335123749233
Energy: 1.5010771217494199
Energy: 1.336386963238642
Energy: 1.3337004931773355
Energy: 1.3726676777987599
Energy: 1.4077155789787263
Energy: 1.5487740977151092
Energy: 1.2476117745872208
Energy: 1.3772277277827762
Energy: 1.3427630894312523
Energy: 1.3366046631893498
Energy: 1.376235243550249
Energy: 1.5858485718229751
Energy: 1.4050900907052501
Energy: 1.3351048910220593
Energy: 1.3547143360336793
Energy: 1.529448966382751
Energy: 1.711905585593269
Energy: 1.8548073405700205
Energy: 1.711329135432927
Energy: 1.4259733499040939
Energy: 1.6059678884698625
Energy: 1.4008439053104025
Energy: 1.6997508324413502
Energy: 1.5573608604140066
Energy: 1.5860416366992887
Energy: 1.4282069850369334
Energy: 1.606735421461577
Energy: 1.382288792491728
Energy: 1.3933283449748313
Energy: 1.3510065915409062
Energy: 1.4114239575900784
Energy: 1.4919360413403424
Energy: 1.5546669658647645
Energy: 1.2484649346079437
Energy: 1.3927094962153115
Energy: 1.3350059367483373
Energy: 1.3886433012164496
Energy: 1.581305907450945
Energy: 1.5385042144020542
Energy: 1.3257730301198933
Energy: 1.3899760078464634
Energy: 1.3307449782986536
Energy: 1.2447916973966333
Energy: 1.5392864150990264
Energy: 1.55543964946996
Energy: 1.6389441394788895
Energy: 1.2386351823596904
Energy: 1.3528697475696614
Energy: 1.6342893577296966
Energy: 1.6384414481328182
Energy: 1.541645748673714
Energy: 1.5406374817812623
Energy: 1.2540423997168435
Energy: 1.556410444439002
Energy: 1.397501498237082
Energy: 1.560082313983703
Energy: 1.6624220463487651
Energy: 1.7536500564917636
Energy: 1.2555971095466776
Energy: 1.562183777184213
Energy: 1.2461279313660136
Energy: 1.6609103636429847
Energy: 1.665551023408179
Energy: 1.8381855545453445
Energy: 1.2456816691995194
Energy: 1.245930427075189
Energy: 1.2471959217427315
Energy: 1.7689582199906084
Energy: 1.6455553797459919
Energy: 1.244512330282763
Energy: 1.2508685356215283
Energy: 1.2395469842985656
Energy: 1.2456419843390973
Energy: 1.597823850569171
Energy: 1.6212675871115743
Energy: 1.2502790056910396
Energy: 1.2487821805787689
Energy: 1.243292796687179
Energy: 1.2474484062025868
Energy: 1.6425018798565685
Energy: 1.5458616782665304
Energy: 1.5233400443378873
Energy: 1.2406934900339606
Energy: 1.2486277824460514
Energy: 1.2380510458559244
Energy: 1.6616775464147255
Energy: 1.6613533597078542
Energy: 1.6681027746923505
Energy: 1.4262513183219898
Energy: 1.345080008373168
Energy: 1.588844771764611
Energy: 1.538953931409746
Energy: 1.5851729757733832
Energy: 1.7260644143154256
Energy: 1.47571277310947
Energy: 1.8888695256459607
Energy: 1.731741114885778
Energy: 1.5896679331331505
Energy: 1.5404809512722606
Energy: 1.5388239740311969
Energy: 1.4361435577663384
Energy: 1.4383284166921275
Energy: 1.4284464538102855
Energy: 1.5389468160409623
Energy: 1.4273260466046054
Energy: 1.6583785129570767
Energy: 1.3386061134559064
Energy: 1.3488854645544004
Energy: 1.392737710188174
Energy: 1.6260025487370233
Energy: 1.543307842335596
Energy: 1.3207780946740086
Energy: 1.3783765937912726
Energy: 1.3718388228126357
Energy: 1.376309094767386
Energy: 1.5395313485421322
Energy: 1.5518762639753885
Energy: 1.4294059797219165
Energy: 1.334633229868244
Energy: 1.3469775437934646
Energy: 1.4128681370356437
Energy: 1.6865110683856228
Energy: 1.658990058748858
Energy: 1.8881940114434639
Energy: 1.3695732322940448
Energy: 1.3580703794885574
Energy: 1.5305745374129043
Energy: 1.8369191991305582
Energy: 1.5524528815849339
Energy: 1.5868785284213562
Energy: 1.3360613652741984
Energy: 1.6035768155748502
Energy: 1.382729931545687
Energy: 1.6951795868422976
Energy: 1.3570994260153166
Energy: 1.406424191203368
Energy: 1.8913206419116149
Energy: 1.6435391965558477
Energy: 1.593150893172114
Energy: 1.3622512874251598
Energy: 1.329245653048768
Energy: 1.3923522840635658
Energy: 1.2480258048030026
Energy: 1.5615857129017363
Energy: 1.3697099168466846
Energy: 1.3779717182179478
Energy: 1.333356177385831
Energy: 1.3754750970940126
Energy: 1.4142681424188686
Energy: 1.5394312766619072
Energy: 1.3237693794023793
Energy: 1.371087465294714
Energy: 1.3525108166679047
Energy: 1.3930236470211348
Energy: 1.6329670084981531
Energy: 1.6404554582706448
Energy: 1.6289616441876786
Energy: 1.352918990568876
Energy: 1.5266804428179002
Energy: 1.244924367830244
Energy: 1.5391171546599713
Energy: 1.5485470421023606
Energy: 1.5400408716598926
Energy: 1.3289442357743786
Energy: 1.5296702236365574
Energy: 1.2510988921086614
Energy: 1.6607462270223856
Energy: 1.6629692454239988
Energy: 1.754098096282905
Energy: 1.380724935140443
Energy: 1.3524751846670287
Energy: 1.3764618753200781
Energy: 1.638205517384127
Energy: 1.6431378988501462
Energy: 1.6312680019883827
Energy: 1.3555129239225818
Energy: 1.2391045160926166
Energy: 1.2446554458923238
Energy: 1.596149379008053
Energy: 1.644411796445823
Energy: 1.2459219587948398
Energy: 1.2398308753848115
Energy: 1.2390637711882104
Energy: 1.2498018645391682
Energy: 1.25005815654929
Energy: 1.6609493775664639
Energy: 1.251266284285756
Energy: 1.249869675614164
Energy: 1.2470228965499282
Energy: 1.243736217656937
Energy: 1.6384025775712516
Energy: 1.6607502846369107
Energy: 1.2459929024878014
Energy: 1.2397832355962508
Energy: 1.3374868861601992
Energy: 1.6022581465926813
Energy: 1.5963913136483008
Energy: 1.6619433741092036
Energy: 1.6225612374275014
Energy: 1.3819310062999888
Energy: 1.6050320668970344
Energy: 1.4205476594972537
Energy: 1.614483139928492
Energy: 1.6085605972374941
Energy: 1.7534552342123644
Energy: 1.8975189491370186

minimum gb energy = 1.2380510458559244 eV
minimum distance =  2.18343646391719 Angstroms
sigma value = 41


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

Energy: 1.8434577608594007
Energy: 1.7401667545340813
Energy: 1.3411617250480756
Energy: 1.3784585675756955
Energy: 1.3410472845823758
Energy: 1.7371364986492879
Energy: 1.5954854821496776
Energy: 1.132705841810811
Energy: 1.1313318224062818
Energy: 1.3987585332531196
Energy: 1.132745560561356
Energy: 1.3553537936659223
Energy: 1.3433269110720922
Energy: 1.1478540682443006
Energy: 1.1343121402134564
Energy: 1.0677668261698219
Energy: 1.13536926688216
Energy: 1.339074163871906
Energy: 1.3763152318994687
Energy: 1.4328690595240179
Energy: 1.1341096480047255
Energy: 1.3351580518297013
Energy: 1.1366601720870901
Energy: 1.420720185161253
Energy: 1.3389424793943678
Energy: 1.3616834137861957
Energy: 1.4290846329272322
Energy: 1.3414237607495456
Energy: 1.4293877129609756
Energy: 1.349479628696937
Energy: 1.341533788184899
Energy: 1.3438974575961748
Energy: 1.7302112508591014
Energy: 1.3418206873772502
Energy: 1.7142598466436425
Energy: 1.340706926263435
Energy: 1.614076907900365
Energy: 1.4190387891543783
Energy: 1.1367457700448076
Energy: 1.336523611103004
Energy: 1.4220782558403364
Energy: 1.592482626790032
Energy: 1.5924460702808831
Energy: 1.4194031943138694
Energy: 1.3553660252137483
Energy: 1.338285346291012
Energy: 1.13592250002774
Energy: 1.7375405909670973
Energy: 1.3434126175495908
Energy: 1.1357085415891301
Energy: 1.135956917067187
Energy: 1.0688219688894163
Energy: 1.1385150427007777
Energy: 1.355809496078895
Energy: 1.348299705775755
Energy: 1.1363420636635653
Energy: 1.1357590281839716
Energy: 1.3986504406187117
Energy: 1.13639693220145
Energy: 1.3649567514952814
Energy: 1.3682942922287051
Energy: 1.422019577719575
Energy: 1.137980944517985
Energy: 1.342016196470676
Energy: 1.418550461506071
Energy: 1.4209773319081338
Energy: 1.336555399418252
Energy: 1.345021150768467
Energy: 1.137347906665917
Energy: 1.3474156113523343
Energy: 1.1352639653284882
Energy: 1.3398331382959938
Energy: 1.3421778322623517
Energy: 1.3412355088171357
Energy: 1.1367678760614424
Energy: 1.4055300497379306
Energy: 1.1357814776761441
Energy: 1.3552821322505775
Energy: 1.5920307878322741
Energy: 1.4193435836645993
Energy: 1.3413930052388612
Energy: 1.3426021687617589
Energy: 1.1364707785160448
Energy: 1.7415412743070362

minimum gb energy = 1.0677668261698219 eV
minimum distance =  2.19418583572866 Angstroms
sigma value = 11


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

Energy: 2.1163842948901936
Energy: 1.518702841163199
Energy: 1.4586208549919009
Energy: 1.4940275993290555
Energy: 1.561328832289068
Energy: 1.9325579557922354
Energy: 1.2787479509210875
Energy: 1.490128510679998
Energy: 1.4633475962582843
Energy: 1.5237826097500335
Energy: 1.477665393666544
Energy: 1.2996929429243547
Energy: 1.2852931968656494
Energy: 1.2990509041723204
Energy: 1.4804705767135877
Energy: 1.585795402246719
Energy: 1.4821801297149029
Energy: 1.2867098818802576
Energy: 1.285218720752907
Energy: 1.3238336490332125
Energy: 1.4518984704063682
Energy: 1.5354565068309691
Energy: 1.325975328370631
Energy: 1.2992411477911296
Energy: 1.2888298923009462
Energy: 1.2996035827679846
Energy: 1.4534570403994476
Energy: 1.4860014367833605
Energy: 1.3243367370163617
Energy: 1.2993038119519191
Energy: 1.288893350775625
Energy: 1.2997946983994648
Energy: 1.7655007494544355
Energy: 1.4847792851699104
Energy: 1.764774018496416
Energy: 1.288578966445337
Energy: 1.3815131234822906
Energy: 1.4515327728944922
Energy: 1.4868893674576116
Energy: 1.483841266264239
Energy: 1.5212929764535612
Energy: 1.466267100003362
Energy: 1.413164205726268
Energy: 1.4550507324777837
Energy: 1.4268170221146028
Energy: 1.4590128837256413
Energy: 1.4144379783773868
Energy: 1.7818753847778883
Energy: 1.2887446628821322
Energy: 1.2999180380989943
Energy: 1.8012083701667598
Energy: 1.4756152150836437
Energy: 1.4551426031908208
Energy: 1.3032082139742784
Energy: 1.3813574280864913
Energy: 1.3867544483928302
Energy: 1.4525982216677722
Energy: 1.4748504301886591
Energy: 1.455069748025598
Energy: 1.3819914072932284
Energy: 1.400126385644103
Energy: 1.4583909644957453
Energy: 1.3581660282731354
Energy: 1.3793935541715072
Energy: 1.4508851417479471
Energy: 1.4554697229434976
Energy: 1.3818751913482474
Energy: 1.359016540574883
Energy: 1.454965759847129
Energy: 1.4023938104981226
Energy: 1.4507704135969788
Energy: 1.427415595242404
Energy: 1.3819710357474424
Energy: 1.486183554275495
Energy: 1.4197043331028607
Energy: 1.3825109597053935
Energy: 1.488543253528247
Energy: 1.457666073067289
Energy: 1.481971649786036
Energy: 1.4151388804223586
Energy: 1.3797896875379712
Energy: 1.383766229787319
Energy: 1.4055000907774546
Energy: 1.4903098872431737
Energy: 1.3803100261191898
Energy: 1.4525303711596862
Energy: 1.3077973263848481
Energy: 1.3023488033352764
Energy: 1.4940164021377975
Energy: 1.535227443265692
Energy: 1.41746131280449
Energy: 1.4146528420802549
Energy: 1.4864132767033968
Energy: 1.9336999373173496
Energy: 1.5251527071969047
Energy: 1.4166368746999454
Energy: 1.521573536189147
Energy: 1.4663198711509196
Energy: 1.4903699754467086
Energy: 1.2796943273711459
Energy: 1.5170354842462643
Energy: 1.5165959949170142
Energy: 1.476985328351725
Energy: 1.4840006962515662
Energy: 1.2994850027442086
Energy: 1.2856093190864535
Energy: 1.3247603702175739
Energy: 1.5844992684250094
Energy: 1.4844864182673598
Energy: 1.3283181574499259
Energy: 1.2991024441829258
Energy: 1.2988407084842462
Energy: 1.324206990886917
Energy: 1.4593386057623052
Energy: 1.5227191586160695
Energy: 1.3246194164429774
Energy: 1.3002818843076764
Energy: 1.3011075670461536
Energy: 1.3227505302331986
Energy: 1.5027440780140415
Energy: 1.61998540354396
Energy: 1.7672302217175198
Energy: 1.2994370036658314
Energy: 1.2887710436438244
Energy: 1.3240508002158817
Energy: 1.765314641998462
Energy: 1.5192459059032752
Energy: 1.529211762717544
Energy: 1.4523191281217138
Energy: 1.4130761327133419
Energy: 1.452532505214122
Energy: 1.6122540926833284
Energy: 1.4583026500649015
Energy: 1.4127238808790405
Energy: 1.759455506654257
Energy: 1.4814073363058389
Energy: 1.585222792567526
Energy: 1.4162685565024353
Energy: 1.4750425723137688
Energy: 1.4878733990863782
Energy: 1.299645522244877
Energy: 1.2887778001076189
Energy: 1.4481841167314724
Energy: 1.9720429114022788
Energy: 1.4754777131305414
Energy: 1.4520937287275726
Energy: 1.380958663773747
Energy: 1.385319593955454
Energy: 1.443817188662988
Energy: 1.9738530772307652
Energy: 1.380637510785471
Energy: 1.3570499346727727
Energy: 1.4720792708938228
Energy: 1.400525935302227
Energy: 1.4561402835824682
Energy: 1.3798293350927004
Energy: 1.4001097142594
Energy: 1.479001852303389
Energy: 1.4700411243613567
Energy: 1.382492324257342
Energy: 1.358868153792998
Energy: 1.4274214302089012
Energy: 1.3817566391180847
Energy: 1.4561795888855134
Energy: 1.358789156391805
Energy: 1.3845947861462218
Energy: 1.4559195225624242
Energy: 1.4193645954046037
Energy: 1.381850127294317
Energy: 1.4028502798923752
Energy: 1.511896266392164
Energy: 1.5178644260911633
Energy: 1.4040445587442594
Energy: 1.3822009518082143
Energy: 1.2870753327698057
Energy: 1.4903060881911003
Energy: 1.4656631318225677
Energy: 1.6786617698940391
Energy: 1.5161558969720228
Energy: 1.289810012305209
Energy: 1.4741219535980012
Energy: 1.460934545741229
Energy: 1.3793818639951545
Energy: 1.417475360565874
Energy: 1.4124058104473614
Energy: 1.4760564102597833

minimum gb energy = 1.2787479509210875 eV
minimum distance =  2.16934045898986 Angstroms
sigma value = 57


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

Energy: 2.2213824766459678
Energy: 1.9601082951447322
Energy: 1.4484210098487964
Energy: 1.5044933171373747
Energy: 1.4499025964306922
Energy: 1.959742359435254
Energy: 1.319521584547622
Energy: 1.4130031060461132
Energy: 1.4143570802213565
Energy: 1.3903031142142748
Energy: 1.4437402902524388
Energy: 1.4014724696822833
Energy: 1.3300837184749015
Energy: 1.3568573708605316
Energy: 1.4001299365560889
Energy: 1.3751725563677213
Energy: 1.4007503499435032
Energy: 1.3286435314859877
Energy: 1.328287537556519
Energy: 1.4027728043953132
Energy: 1.4067269695192022
Energy: 1.3916568988580018
Energy: 1.389145792598361
Energy: 1.3585535921264262
Energy: 1.3381815086286506
Energy: 1.3588034768719413
Energy: 1.4147342527695306
Energy: 1.3902110051652465
Energy: 1.3941674658840466
Energy: 1.3607606579383575
Energy: 1.3859356705172907
Energy: 1.3290640825364475
Energy: 1.6764168050224255
Energy: 1.3903956641289248
Energy: 1.6780277916167445
Energy: 1.3843911792608972
Energy: 1.3823481521487955
Energy: 1.4372185852362611
Energy: 1.3277401523235797
Energy: 1.384547684870662
Energy: 1.329189746821275
Energy: 1.4372066555476346
Energy: 1.38247688091282
Energy: 1.3988634009416883
Energy: 1.3920347613916937
Energy: 1.328583961681297
Energy: 1.3283761282768636
Energy: 1.3995010517274404
Energy: 1.3830026506418132
Energy: 1.336194500532037
Energy: 1.3909722509150653
Energy: 1.3186313335988296
Energy: 1.6754323467304966
Energy: 1.3915874169880456
Energy: 1.3828445721917595
Energy: 1.3286582065132528
Energy: 1.4489773780598667
Energy: 1.3191798998282542
Energy: 1.4368439540750984
Energy: 1.3296987198923231
Energy: 1.3187391864911249
Energy: 1.39887883613235
Energy: 1.3290476902843829
Energy: 1.3290071416204574
Energy: 1.4010402115697569
Energy: 1.3991919351351956
Energy: 1.3193392818350544
Energy: 1.4370237007741735
Energy: 1.358911586340699
Energy: 1.330253105253329
Energy: 1.355831993649298
Energy: 1.4365041859956729
Energy: 1.3289024454190965
Energy: 1.4059096111053897
Energy: 1.3895463737024099
Energy: 1.3299853208996022
Energy: 1.3888153186337413
Energy: 1.329051964284217
Energy: 1.3903567645378205
Energy: 1.4009010535358501
Energy: 1.3294066575245544
Energy: 1.3303703676736789
Energy: 1.4008360743502182
Energy: 1.6766014797245685
Energy: 1.3900666903635719
Energy: 1.4375330165017985
Energy: 1.4607689913887638
Energy: 1.3845167282028548
Energy: 1.402766869491775
Energy: 1.3285271698975871
Energy: 1.3368624130672766
Energy: 1.3286409527770027
Energy: 1.3585303695203874
Energy: 1.667650971352903
Energy: 1.3567799084309091
Energy: 1.329114423841586
Energy: 1.3185960741678975
Energy: 1.3385700558737283
Energy: 1.3998895683078854
Energy: 1.3838568434296428
Energy: 1.4429772524476114
Energy: 1.3370977341405683

minimum gb energy = 1.3185960741678975 eV
minimum distance =  2.20663650548603 Angstroms
sigma value = 9


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

Energy: 2.6819120555682012
Energy: 1.4560452692664037
Energy: 1.5078307028799556
Energy: 1.5870905966000246
Energy: 1.5052705586438162
Energy: 1.4068291012542489
Energy: 1.3915514006921654
Energy: 1.5580500478872852
Energy: 1.5542270796976005
Energy: 1.4715475641746414
Energy: 1.6116339368228116
Energy: 1.459863823760331
Energy: 1.421626777687391
Energy: 1.4519543957935754
Energy: 1.66007317956035
Energy: 1.6592157088640718
Energy: 1.5318555046229558
Energy: 1.4360427556089626
Energy: 1.44481191078276
Energy: 1.5149771520192097
Energy: 1.5397584167681375
Energy: 1.4295899001199546
Energy: 1.5155668671892835
Energy: 1.4590980219262135
Energy: 1.4429317316862436
Energy: 1.5006162553407536
Energy: 1.4539023256381232
Energy: 1.4618791505561353
Energy: 1.477102817237074
Energy: 1.5052334696701941
Energy: 1.423387778921395
Energy: 1.4777346158741584
Energy: 1.5142372649816362
Energy: 1.459032489885195
Energy: 1.5145145465241174
Energy: 1.4587990409057432
Energy: 1.4710586525806537
Energy: 1.5229067559601646
Energy: 1.436066272851774
Energy: 1.4359228978072986
Energy: 1.4707153915113387
Energy: 1.5582130049990042
Energy: 1.4714018969912555
Energy: 1.5292019236290413
Energy: 1.4182840550780962
Energy: 1.4176057582052792
Energy: 1.4175004982765336
Energy: 1.6773074616490355
Energy: 1.4222545242087892
Energy: 1.4464874146814495
Energy: 1.5107625270001839
Energy: 1.404420196474349
Energy: 1.5106806678956555
Energy: 1.4739368402825601
Energy: 1.3430117104886812
Energy: 1.370600524262867
Energy: 1.5109645181282638
Energy: 1.4039100537483682
Energy: 1.5110110289950935
Energy: 1.3435968991596772
Energy: 1.3425934053289776
Energy: 1.4394568521416669
Energy: 1.4192598529423386
Energy: 1.4170248518220765
Energy: 1.4184718945073136
Energy: 1.5125179849988502
Energy: 1.3444546936395123
Energy: 1.5115715945364148
Energy: 1.4045232252322386
Energy: 1.4184505935672407
Energy: 1.4404125179838623
Energy: 1.5129907311195574
Energy: 1.3443296536067566
Energy: 1.3694282281833472
Energy: 1.5107872547383308
Energy: 1.4496369656144525
Energy: 1.512101155277611
Energy: 1.3686059469520053
Energy: 1.4541759937400174
Energy: 1.4920666665399371
Energy: 1.473403727669072
Energy: 1.445633408936857
Energy: 1.4887619227317148
Energy: 1.4862594512921485
Energy: 1.46181062438807
Energy: 1.5631078317082
Energy: 1.4164274786415092
Energy: 1.4161491742825336
Energy: 1.4579395272415268
Energy: 1.565466899670545
Energy: 1.461858566592778
Energy: 1.4692888098614436
Energy: 1.504098203852235
Energy: 1.5066678426619482
Energy: 1.5045051589714022
Energy: 1.4652499748812275
Energy: 1.4501112034544128
Energy: 1.5398534089765679
Energy: 1.4789919744128999
Energy: 1.4718790008400955
Energy: 1.530089258362027
Energy: 1.5311374310495984
Energy: 1.4506937584798378
Energy: 1.5220679828270314
Energy: 1.444086960773973
Energy: 1.4376539304964262
Energy: 1.5382360229493035
Energy: 1.8347139405584396
Energy: 1.4501149739989956
Energy: 1.4636311425369004
Energy: 1.5598842833148883
Energy: 1.4326828009463068
Energy: 1.611117981081753
Energy: 1.4516157941067278
Energy: 1.4172763770225647
Energy: 1.4192550074535368
Energy: 1.6662940597009617
Energy: 1.929537900766376
Energy: 1.4168472063871462
Energy: 1.417562615486
Energy: 1.3899064877956875
Energy: 1.6141373174563411
Energy: 1.4294506175489001
Energy: 1.4238319225199774
Energy: 1.5812334534742671
Energy: 1.4515974911688405

minimum gb energy = 1.3425934053289776 eV
minimum distance =  2.20224977029401 Angstroms
sigma value = 27


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

Energy: 1.5863633602918852
Energy: 1.3693831126818032
Energy: 1.4383305833363749
Energy: 1.4379489901240385
Energy: 1.4388986910269856
Energy: 1.367924501811631
Energy: 1.3630830873619277
Energy: 1.5078411275949415
Energy: 1.3702575374038075
Energy: 1.3711537490776753
Energy: 1.6439371940758336
Energy: 1.4034480379840615
Energy: 1.3664562464401075
Energy: 1.3865255259463607
Energy: 1.5890852167239422
Energy: 1.5860423903188525
Energy: 1.501460907615347
Energy: 1.3845409338715173
Energy: 1.3680964223610845
Energy: 1.3852200183417471
Energy: 1.4426926217541471
Energy: 1.3711260913372536
Energy: 1.5478762028286195
Energy: 1.3854877241295143
Energy: 1.3641499281509157
Energy: 1.4414912901279249
Energy: 1.4135988492881761
Energy: 1.369399353133425
Energy: 1.415089872202108
Energy: 1.508598296177559
Energy: 1.3608268719426437
Energy: 1.5065406761796383
Energy: 1.4157305653600412
Energy: 1.3703855181691957
Energy: 1.4153354265389235
Energy: 1.361288136395408
Energy: 1.3681208113188055
Energy: 1.4404125642664112
Energy: 1.4154339044841178
Energy: 1.414329196291296
Energy: 1.414120612513642
Energy: 1.4403111285194943
Energy: 1.3677543696588945
Energy: 1.5057084799439906
Energy: 1.4030639379211063
Energy: 1.3714716128820772
Energy: 1.4421292180382874
Energy: 1.505874233105287
Energy: 1.360811081633623
Energy: 1.385421538929987
Energy: 1.5491810482318271
Energy: 1.380675310908056
Energy: 1.384600012247193
Energy: 1.385632741456573
Energy: 1.3632920516668623
Energy: 1.4596893653374172
Energy: 1.6426685370818614
Energy: 1.371306574489324
Energy: 1.643016807577809
Energy: 1.433835007287201
Energy: 1.3661627913226366
Energy: 1.416436090529378
Energy: 1.37119658355792
Energy: 1.3724179390959117
Energy: 1.3710048689447347
Energy: 1.4960767683757168
Energy: 1.3664150663548795
Energy: 1.643525860112126
Energy: 1.4342328195197775
Energy: 1.3655052510557988
Energy: 1.4027653786374645
Energy: 1.6440994451919004
Energy: 1.4374703088356104
Energy: 1.3625466148613656
Energy: 1.5853713451566833
Energy: 1.3538687354229892
Energy: 1.4018384982704704
Energy: 1.3629918875035962
Energy: 1.3707678085934991
Energy: 1.4029028779848745
Energy: 1.6437410226966829
Energy: 1.3637639857776342
Energy: 1.6450778219956672
Energy: 1.3733694693987817
Energy: 1.3542034772044387
Energy: 1.5021859389027807
Energy: 1.38524972685759
Energy: 1.3633057480100903
Energy: 1.3855545554346984
Energy: 1.586658836521432
Energy: 1.3545992910900557
Energy: 1.526142573509368
Energy: 1.3852380685687231
Energy: 1.3678375138774543
Energy: 1.385741497198349
Energy: 1.5056462835775708
Energy: 1.3696725252518704
Energy: 1.4138047381854697
Energy: 1.5068272282139359
Energy: 1.4202349420568257
Energy: 1.4432606880916707
Energy: 1.37097427028288
Energy: 1.3675377815983756
Energy: 1.4141614259742277
Energy: 1.5062307446644532
Energy: 1.3649990534421148
Energy: 1.4399269730061397
Energy: 1.4134613043124022
Energy: 1.3677917741243093
Energy: 1.4140879422510235
Energy: 1.5053782513532519
Energy: 1.3616847678889608
Energy: 1.4157082733956383
Energy: 1.4134099722746252
Energy: 1.3715861033312626
Energy: 1.4420645966797587
Energy: 1.5062524760878266
Energy: 1.5067084033323226
Energy: 1.507779373751885
Energy: 1.4019512303744803
Energy: 1.3712006677280746
Energy: 1.548996639572494
Energy: 1.386808685739506
Energy: 1.38493012777188
Energy: 1.3844939803435437
Energy: 1.5061299599927975
Energy: 1.3619837976286675
Energy: 1.5006476566343858
Energy: 1.3853109934371026
Energy: 1.3636417924149868
Energy: 1.3844591224857663
Energy: 1.8384729275084455
Energy: 1.370934158405389
Energy: 1.3721726808131915
Energy: 1.643098040336188
Energy: 1.3661648795354109
Energy: 1.5077578970486896
Energy: 1.371703271672366
Energy: 1.362270576339983
Energy: 1.363665364392594
Energy: 1.4963485565741619
Energy: 1.3665105418010461
Energy: 1.4028869003505642
Energy: 1.3648902639150011
Energy: 1.3643321829305386
Energy: 1.6433802863671838
Energy: 1.434913324337391
Energy: 1.3638186594807897
Energy: 1.4040543212956764
Energy: 1.5846325626718696

minimum gb energy = 1.3538687354229892 eV
minimum distance =  2.21076854447526 Angstroms
sigma value = 19


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

Energy: 1.6207546326541795
Energy: 1.3712082106745307
Energy: 1.4774729064819918
Energy: 1.4769026945105646
Energy: 1.4770303311630177
Energy: 1.352783959921435
Energy: 1.3321568178392482
Energy: 1.5198677149032631
Energy: 1.3636346535103927
Energy: 1.3404459359158896
Energy: 1.7091718234127133
Energy: 1.3423092987819816
Energy: 1.332201878342666
Energy: 1.329028698731645
Energy: 1.5293316379275468
Energy: 1.5291521181719194
Energy: 1.328792508855814
Energy: 1.3309808973877946
Energy: 1.3314250753204533
Energy: 1.3315761121699712
Energy: 1.5474489916856375
Energy: 1.3688694962365495
Energy: 1.553191705579985
Energy: 1.3312296699209953
Energy: 1.3082172306665338
Energy: 1.5483006094666485
Energy: 1.40725927531194
Energy: 1.3728157488138797
Energy: 1.4066537874313854
Energy: 1.5542839522530032
Energy: 1.3308620210797568
Energy: 1.435809119124978
Energy: 1.3927773905550151
Energy: 1.335981575723979
Energy: 1.4081430813595783
Energy: 1.331929983931496
Energy: 1.3368165215650054
Energy: 1.4356567779779188
Energy: 1.432811609069925
Energy: 1.4376446677388153
Energy: 1.4460068398675494
Energy: 1.4367921664630057
Energy: 1.336746902417358
Energy: 1.4363601684001495
Energy: 1.3305733822088177
Energy: 1.3318886598270248
Energy: 1.435890095513378
Energy: 1.4410234666534412
Energy: 1.3540842032875453
Energy: 1.4188325909067963
Energy: 1.4708104960632786
Energy: 1.344292765833327
Energy: 1.4171279046358352
Energy: 1.419287866663592
Energy: 1.3370601727474467
Energy: 1.3374568724921978
Energy: 1.565322282752794
Energy: 1.33061513014774
Energy: 1.564698971128045
Energy: 1.3375494883857622
Energy: 1.3208131676691661
Energy: 1.3564335195878998
Energy: 1.3564846581695085
Energy: 1.3560051579909818
Energy: 1.356095381808717
Energy: 1.4148641393595478
Energy: 1.3374355173081176
Energy: 1.5392869367059696
Energy: 1.400995718641754
Energy: 1.3349674322846221
Energy: 1.4149445171328163
Energy: 1.518857915857824
Energy: 1.338537706547084
Energy: 1.3710850703531718
Energy: 1.3526496106805852
Energy: 1.3204595060229485
Energy: 1.366938764644933
Energy: 1.3382974918718944
Energy: 1.295272224947423
Energy: 1.2951007148091143
Energy: 1.619529321760289
Energy: 1.3259343290358283
Energy: 1.620247985618117
Energy: 1.2963372947193836
Energy: 1.320064253610674
Energy: 1.3192473606896702
Energy: 1.3356887327536107
Energy: 1.334752314598755
Energy: 1.3359415965532668
Energy: 1.3197976880351392
Energy: 1.2948813107648152
Energy: 1.6210999660203989
Energy: 1.3193922415915926
Energy: 1.3399109632882094
Energy: 1.319327923581223
Energy: 1.6187037629455034
Energy: 1.2951097737537456
Energy: 1.294736367557136
Energy: 1.6004797680633092
Energy: 1.5789341482271433
Energy: 1.6212110049767339
Energy: 1.2965547822725085
Energy: 1.3305889355922436
Energy: 1.4694880514995547
Energy: 1.5934630542313233
Energy: 1.3691093134127776
Energy: 1.4900499200315547
Energy: 1.33047935611993
Energy: 1.308330646693861
Energy: 1.495991003220289
Energy: 1.4365465733311833
Energy: 1.3338342024754115
Energy: 1.3716246314810832
Energy: 1.4955568451612526
Energy: 1.3305349783615235
Energy: 1.4470560346718877
Energy: 1.3848474818757917
Energy: 1.3361496639259438
Energy: 1.3855663038574126
Energy: 1.294774840118049
Energy: 1.3307024089350419
Energy: 1.557752815966436
Energy: 1.443407102573955
Energy: 1.4454065134213345
Energy: 1.4435599944290523
Energy: 1.3995693342010764
Energy: 1.3309643562939908
Energy: 1.4397816467859568
Energy: 1.536895640721733
Energy: 1.3311349788209352
Energy: 1.430799492650488
Energy: 1.4423409119278359
Energy: 1.3308846593793044
Energy: 1.4115748314310548
Energy: 1.411674468374387
Energy: 1.330452686286239
Energy: 1.4111794227089287
Energy: 1.4165143765659156
Energy: 1.34193865370009
Energy: 1.4112508625034104
Energy: 1.5544104793223958
Energy: 1.3318420075197495
Energy: 1.5537254640957514
Energy: 1.3691609073536917
Energy: 1.3419769755792899
Energy: 1.56770308906
Energy: 1.3630956128142935
Energy: 1.3315705610702264
Energy: 1.3623864893302908
Energy: 1.5543737725845712
Energy: 1.3207109030920423
Energy: 1.5158168787434785
Energy: 1.3634254574148028
Energy: 1.3282595804714832
Energy: 1.3633613232549762
Energy: 1.5152866324703163
Energy: 1.3424295258420365
Energy: 1.3430643650078078
Energy: 1.7137552186542861
Energy: 1.3206198539044791
Energy: 1.5518705503449586
Energy: 1.3428697569912793
Energy: 1.3318645822817916
Energy: 1.3757665619820703
Energy: 1.3693995683681446
Energy: 1.306839688309623
Energy: 1.3445356872985896
Energy: 1.3296662084197879
Energy: 1.3717058836104437
Energy: 1.5155912270549579
Energy: 1.4514727365653908
Energy: 1.3284152509407807
Energy: 1.44612320037557
Energy: 1.653268880356051

minimum gb energy = 1.294736367557136 eV
minimum distance =  2.1910651433254 Angstroms
sigma value = 101


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

Energy: 2.141891924343886
Energy: 1.3014517213367678
Energy: 1.3704684904167481
Energy: 1.3707773913999755
Energy: 1.370431080377973
Energy: 1.6301906719322818
Energy: 1.2490206158396997
Energy: 1.4813045534768696
Energy: 1.2833471409409338
Energy: 1.2812404992493194
Energy: 1.4805970230503023
Energy: 1.2832825444002807
Energy: 1.2761128374837778
Energy: 1.2781516083843574
Energy: 1.632666458190265
Energy: 1.6315841149884613
Energy: 1.2736300926650774
Energy: 1.276594977233051
Energy: 1.2758032877948926
Energy: 1.2767335087334133
Energy: 1.253417094132957
Energy: 1.430204693682111
Energy: 1.5519353325965821
Energy: 1.2764454679300112
Energy: 1.24894518346967
Energy: 1.4501308364558294
Energy: 1.305610866923124
Energy: 1.2572330741168711
Energy: 1.3048937979620885
Energy: 1.4633264818207792
Energy: 1.2759981833509364
Energy: 1.4935957809329243
Energy: 1.3060336515892113
Energy: 1.2529471979286912
Energy: 1.305033861418843
Energy: 1.2762192524844875
Energy: 1.2766390795478508
Energy: 1.3671201935594697
Energy: 1.4257566022892332
Energy: 1.4267371263313458
Energy: 1.4352036216595345
Energy: 1.366283919952231
Energy: 1.2621776982606236
Energy: 1.3669227631464522
Energy: 1.2536549710229083
Energy: 1.2536349484138274
Energy: 1.3681740467030312
Energy: 1.3666571536943526
Energy: 1.2955743607545913
Energy: 1.3677625900447243
Energy: 1.424670854758961
Energy: 1.2817426512246661
Energy: 1.3881848692728125
Energy: 1.3671692755325586
Energy: 1.276025709885283
Energy: 1.373246616059171
Energy: 1.4251156188615912
Energy: 1.2534745766354052
Energy: 1.425865438207798
Energy: 1.2758655074384968
Energy: 1.275837551636982
Energy: 1.3047620856598878
Energy: 1.30414090611785
Energy: 1.3056360476614886
Energy: 1.3043689547700321
Energy: 1.4504533269507056
Energy: 1.275199523610553
Energy: 1.5511672217671386
Energy: 1.2528471990653702
Energy: 1.281813551495321
Energy: 1.306046397833156
Energy: 1.5501131213349086
Energy: 1.276775467894924
Energy: 1.2749650690029504
Energy: 1.272828412144861
Energy: 1.2730095821067582
Energy: 1.275139140025101
Energy: 1.2772814145194586
Energy: 1.2733309671348136
Energy: 1.3566179996901955
Energy: 1.5532659710113839
Energy: 1.2732893375147185
Energy: 1.4811097571142862
Energy: 1.3580324856141903
Energy: 1.2801055140222373
Energy: 1.2827523628580628
Energy: 1.2827195949732053
Energy: 1.2818235067646728
Energy: 1.28309419031128
Energy: 1.482496619242222
Energy: 1.2862484556432783
Energy: 1.7030680114647505
Energy: 1.2815232145298887
Energy: 1.256734053338463
Energy: 1.2820853075018186
Energy: 1.283554335353994
Energy: 1.3725405823244892
Energy: 1.275022668304568
Energy: 1.2943434362802502
Energy: 1.6312104593229861
Energy: 1.2743984187533133
Energy: 1.2746556528209767
Energy: 1.280874918819976
Energy: 1.2548101727588052
Energy: 1.481364482569799
Energy: 1.2491289918912458
Energy: 1.480910943272849
Energy: 1.2836647299690014
Energy: 1.2939380767219595
Energy: 1.4809125495368851
Energy: 1.2754537458206012
Energy: 1.2574185814257146
Energy: 1.2753698236377404
Energy: 1.6313959500733206
Energy: 1.2938772849466944
Energy: 1.5519368776266529
Energy: 1.276464338064545
Energy: 1.2766781867650823
Energy: 1.2757906258164964
Energy: 1.2532371421675481
Energy: 1.2524601707621177
Energy: 1.3042316948415078
Energy: 1.5507695971880195
Energy: 1.4631480291096572
Energy: 1.4502518380554803
Energy: 1.305199186006876
Energy: 1.2544228411124825
Energy: 1.3061448101284643
Energy: 1.4809949869374652
Energy: 1.2764087186793012
Energy: 1.3046808757906987
Energy: 1.305051525008603
Energy: 1.2812445853054477
Energy: 1.4249052902982762
Energy: 1.473419671894534
Energy: 1.2637238518091851
Energy: 1.4631859385004928
Energy: 1.4286635902558227
Energy: 1.253900883286958
Energy: 1.5098533035639625
Energy: 1.3666384561312197
Energy: 1.2765226571268256
Energy: 1.3676424248697518
Energy: 1.2545320327774203
Energy: 1.2540478438365599
Energy: 1.3675482898331397
Energy: 1.3671615825052306
Energy: 1.3673014023895236
Energy: 1.3671370096231084
Energy: 1.3811243686548933
Energy: 1.2811740491850927
Energy: 1.4246670049764396
Energy: 1.3749792769998888
Energy: 1.2770198041338978
Energy: 1.3683878424914255
Energy: 1.424846116865993
Energy: 1.253267078640626
Energy: 1.3042623523684092
Energy: 1.3062018347489641
Energy: 1.2755145681127966
Energy: 1.3042772286235906
Energy: 1.3080459050943394
Energy: 1.2819149260451752
Energy: 1.305693614041137
Energy: 1.5515109879750795
Energy: 1.276025521616274
Energy: 1.5513923614652663
Energy: 1.25243797025007
Energy: 1.2734472438952287
Energy: 1.2735333728245286
Energy: 1.2768617667421749
Energy: 1.2781906313916571
Energy: 1.276343963781896
Energy: 1.5516670575260296
Energy: 1.2729656376509548
Energy: 1.2749546541051897
Energy: 1.256868176408987
Energy: 1.273820122829587
Energy: 1.2572558611272695
Energy: 1.274395132314463
Energy: 1.2814639020545573
Energy: 1.283001799063673
Energy: 1.4806258101132284
Energy: 1.2871653211944405
Energy: 1.2556850943303801
Energy: 1.2824806021185347
Energy: 1.2565059482469525
Energy: 1.35603187505561
Energy: 1.4808668239355824
Energy: 1.2863483646108314
Energy: 1.2825497463903637
Energy: 1.2567152732750662
Energy: 1.2942708140920278
Energy: 1.2580718386330074
Energy: 1.2745981038477485
Energy: 1.3723065371409366
Energy: 1.2742371273956485
Energy: 1.2943130691647402

minimum gb energy = 1.24894518346967 eV
minimum distance =  2.20270368682533 Angstroms
sigma value = 33


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

Energy: 0.014458292942902776
Energy: 0.015592999166705198
Energy: 0.09054362463604648
Energy: 0.09062565898006647
Energy: 0.09114432623030107
Energy: 0.015091957609817267
Energy: 0.014510102686873645
Energy: 0.10455567833064157
Energy: 0.10448590939813374
Energy: 0.104830029811359
Energy: 0.10408647063186922
Energy: 0.10445985318386218
Energy: 0.9905281291260885
Energy: 0.09261997685716267
Energy: 0.015030813942360529
Energy: 0.016533193164359944
Energy: 0.09160989669328744
Energy: 0.09031139555714288
Energy: 0.10386214035969515
Energy: 0.1045556783271659
Energy: 0.10448590939884467
Energy: 0.10483002981274138
Energy: 0.10408647063258016
Energy: 0.10445985318524456

minimum gb energy = 0.014458292942902776 eV
minimum distance =  2.44569599389955 Angstroms
sigma value = 1