Model name: model_name=SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.653443209826946
cohesive_energy=8.386661348827927
mass=95.95
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=[8.25407756127486e-19, 9.2202060933432e-19, 9.64849995114408e-19, 1.007253201909852e-18, 1.0455083733998699e-18, 1.0748057753291939e-18, 1.09432669543785e-18, 1.1066394228701399e-18, 1.1171769385919579e-18, 1.1297139707530079e-18, 1.145495410597908e-18, 1.164410707938912e-18, 1.185644354869314e-18, 1.2081068712779939e-18, 1.2307183901136359e-18, 1.2525496489285199e-18, 1.2728716573541759e-18, 1.2911380731584099e-18, 1.3069659761256958e-18, 1.320102222347862e-18, 1.330388196338142e-18, 1.337740584911568e-18, 1.3421337532419957e-18, 1.3435853252723998e-18, 1.342002374758008e-18, 1.3368641942927698e-18, 1.327550741519328e-18, 1.3133634674252579e-18, 1.293490068457122e-18, 1.2669580233980818e-18, 1.23256249541937e-18, 1.188805449368196e-18, 1.133813940759414e-18, 1.065290448299868e-18, 9.80697124201302e-19, 8.776595426921279e-19, 7.542598983414479e-19, 6.0927573037752e-19, 4.416720326947799e-19, 2.48951011920822e-19, 2.49540612922134e-20, -2.4227313971031e-19, -5.7192899303898e-19, -9.89017227461664e-19, -1.52616937448304e-18, -2.2335143366277e-18, -3.18134601153576e-18, -4.48676748938628e-18, -6.37993144365336e-18, -9.2731580310969e-18, -1.3805331206290739e-17, -2.13006179137032e-17, -3.52491676893072e-17, -6.57015787540818e-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: 0.0300163017586599
Energy: 0.030324879440288284
Energy: 0.918667979705295
Energy: 0.9186892711819984
Energy: 0.9188305403315564
Energy: 0.030304697427253575
Energy: 0.03032487944255193
Energy: 3.464460676686922
Energy: 0.9188024145718778
Energy: 0.9189069451029369
Energy: 0.9187123197894701
Energy: 0.9190487467565454
Energy: 0.9188649091119879
Energy: 0.9188696949829527
Energy: 3.463820863509778
Energy: 0.030318431537873055
Energy: 0.918721668914853
Energy: 0.9188285054364033
Energy: 0.9186765573364281
Energy: 0.9187485421498365
Energy: 0.030318431736427807
Energy: 0.0303872358454703
Energy: 0.9197881119405714
Energy: 0.9187014677187777
Energy: 0.9188265643280369
Energy: 0.9186624776042058
Energy: 0.9187296258616365
Energy: 0.9197881119365615
Energy: 3.462544827464596
Energy: 0.9188636289856603
Energy: 0.030304697521680267
Energy: 0.919042856969221
Energy: 0.9188680079490611
Energy: 0.9187005426985669
Energy: 0.9187500569542975
Energy: 0.030355759535622386

minimum gb energy = 0.0300163017586599 eV
minimum distance =  2.29717587104631 Angstroms
sigma value = 1


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

Energy: 4.545246583797847
Energy: 5.047686877955403
Energy: 4.862527984599744
Energy: 4.690070915416428
Energy: 4.864654159160391
Energy: 5.047670377131391
Energy: 4.546495797587931
Energy: 5.157856942318704
Energy: 4.86563832471677
Energy: 4.566214003449095
Energy: 4.864230125058633
Energy: 4.85740940388949
Energy: 4.7306902045418875
Energy: 4.861569218190732
Energy: 5.158701534065163
Energy: 4.533287785966725
Energy: 4.860275182383033
Energy: 4.863179496273349
Energy: 4.685852119352471
Energy: 4.866376357196184
Energy: 5.239638184895142
Energy: 4.540296711345487
Energy: 4.865362673516844
Energy: 4.864579307092555
Energy: 4.689503068048142
Energy: 4.86926033641768
Energy: 4.860022636254066
Energy: 4.566175448271486
Energy: 5.153518938297626
Energy: 4.695459848571523
Energy: 4.560163565565561
Energy: 5.258323995166654
Energy: 5.256610282531375
Energy: 4.734671420196387
Energy: 5.257341893767194
Energy: 5.2543586048437545
Energy: 4.56619072031866
Energy: 5.259716185058513
Energy: 5.257977557636388
Energy: 5.234595049129896
Energy: 5.257716447142664
Energy: 5.254201665770157
Energy: 4.613925280835634
Energy: 4.572236617665709
Energy: 4.732516737150267
Energy: 4.56542965957018
Energy: 5.2558730498547135
Energy: 4.5745491160818235
Energy: 4.554597054698126
Energy: 5.257253608857556
Energy: 5.260364487378481
Energy: 4.701172351166796
Energy: 5.256533900356278
Energy: 4.5626157244264585
Energy: 4.56061187686179
Energy: 5.261320181973536
Energy: 5.260742552589242
Energy: 4.726960608967899
Energy: 5.2570246865640025
Energy: 5.395511567298695
Energy: 4.562483043247601
Energy: 4.725355257593214
Energy: 4.87352945501505
Energy: 4.561953787476082
Energy: 5.257258863776338
Energy: 4.73257231484486
Energy: 4.686259038591192
Energy: 4.868416643238667
Energy: 5.049610514016049
Energy: 4.543147294098764
Energy: 4.861242860581407
Energy: 4.8691096155022535
Energy: 4.728424381704369
Energy: 4.869259674188109
Energy: 5.049050715154422
Energy: 4.545142107345858
Energy: 4.860860823008792
Energy: 4.867301506675844
Energy: 4.558584011108861
Energy: 4.862134130225864
Energy: 4.874354055479708
Energy: 4.5644369621983705
Energy: 4.871225457192432
Energy: 4.863048932811647
Energy: 4.578961302589493
Energy: 4.870011753856603
Energy: 4.8667827179209056
Energy: 4.69302229900458
Energy: 4.867474952611107
Energy: 5.240632415735555
Energy: 4.533508581901632
Energy: 4.857349376997557
Energy: 4.86227561201921
Energy: 4.690891591394522
Energy: 4.862142698685783
Energy: 4.861231585080333
Energy: 4.567105108379585
Energy: 4.859483973330247
Energy: 4.560053980655424
Energy: 4.560967421410638
Energy: 5.253436625187908
Energy: 4.859295308360328
Energy: 4.699219394599697
Energy: 5.257844092493303
Energy: 5.2592139491023655
Energy: 5.253772889389546
Energy: 5.259852198112852
Energy: 5.256742086556718
Energy: 4.72432291769443
Energy: 5.257217017989725
Energy: 5.125693598403086
Energy: 4.570328733820919
Energy: 5.254388084753331
Energy: 5.257961123036022
Energy: 4.735942189628142
Energy: 5.259212229033803
Energy: 4.5650886706689455
Energy: 4.585124849847345
Energy: 5.255115793457356
Energy: 4.729165308097994
Energy: 4.69050417456349
Energy: 5.257913687761385
Energy: 5.38881035735284
Energy: 4.548701865484126
Energy: 5.2597643831061
Energy: 5.259089940883381
Energy: 4.731939512322075
Energy: 5.254958500712856
Energy: 5.255583735336222
Energy: 4.540353019715254
Energy: 5.259180626239146
Energy: 4.860035865030277
Energy: 4.546327893295971
Energy: 5.158721171393416
Energy: 4.861777010395106
Energy: 4.70046425299619
Energy: 4.864082707004063
Energy: 4.856426070101299

minimum gb energy = 4.533287785966725 eV
minimum distance =  2.085479171107 Angstroms
sigma value = 33


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

Energy: 4.763431101728354
Energy: 5.1307350667774
Energy: 4.974990745307217
Energy: 4.864513598009202
Energy: 4.975610498560537
Energy: 5.3378992283338835
Energy: 5.411821752468566
Energy: 5.265346210681093
Energy: 4.976272141905525
Energy: 4.903662606782863
Energy: 4.974521643203865
Energy: 5.261735605948745
Energy: 4.909313278666767
Energy: 5.265782951175404
Energy: 5.336307170607974
Energy: 4.7495098264025515
Energy: 5.2608432933843785
Energy: 5.265739482663173
Energy: 5.166200033525546
Energy: 5.266743128173605
Energy: 5.266861637529917
Energy: 4.777278609410698
Energy: 5.266401318126173
Energy: 5.268508785526648
Energy: 5.232001512773376
Energy: 5.270760007937057
Energy: 4.995189233335763
Energy: 5.119472552939647
Energy: 5.400560184666904
Energy: 5.215526860219668
Energy: 4.902364158182511
Energy: 5.54317528028714
Energy: 5.276239272502168
Energy: 4.906489311419068
Energy: 5.545358162254152
Energy: 5.539580681703067
Energy: 4.908169281053
Energy: 5.5443346408156176
Energy: 5.543545563342217
Energy: 5.526999355650376
Energy: 5.543192681906984
Energy: 5.541381515839659
Energy: 4.909224214183478
Energy: 4.972012947429459
Energy: 4.909591017341037
Energy: 4.909465818684828
Energy: 5.541149842477729
Energy: 4.972740559306026
Energy: 4.894577213749196
Energy: 5.261779356379461
Energy: 5.2637338325945215
Energy: 5.172617713173909
Energy: 5.265111467628161
Energy: 4.986470807863266
Energy: 4.784809049620862
Energy: 5.270509032600166
Energy: 5.267054128893326
Energy: 5.178178649200547
Energy: 5.269057880015895
Energy: 5.35113780336749
Energy: 4.90576238794879
Energy: 4.9972477089421545
Energy: 5.2714327145429
Energy: 5.119433425838856
Energy: 5.268754042727331
Energy: 5.002023890004841
Energy: 4.906366237392964
Energy: 4.9716934231924945
Energy: 4.972744194158769
Energy: 4.728520083662158
Energy: 4.977607219112463
Energy: 4.996890080799427
Energy: 4.87509894758306
Energy: 4.9828750410426155
Energy: 4.972374303551211
Energy: 4.729601316486889
Energy: 4.976026746970665
Energy: 4.983561605099286
Energy: 4.760441292167679
Energy: 4.8643007387670085
Energy: 5.268673779216255
Energy: 5.176990269045532
Energy: 5.266064933541488
Energy: 4.9076935020267705
Energy: 4.846883103579587
Energy: 5.454048103812542
Energy: 5.4559683000168855
Energy: 5.185727857206397
Energy: 5.452588130470594
Energy: 5.4538352041215985
Energy: 4.867779053828833
Energy: 5.450812749375059
Energy: 5.455750807510301
Energy: 5.1757412630832675
Energy: 5.4510365534697645
Energy: 4.760808590600282
Energy: 4.790449208644186
Energy: 4.793039511712303
Energy: 5.277108976982149
Energy: 4.909685815444412
Energy: 5.457423128572533
Energy: 4.7919217814199815
Energy: 4.748371386203579
Energy: 5.45678958485065
Energy: 5.456818315702336
Energy: 5.56180803738187
Energy: 5.455901377841599
Energy: 5.527816583566614
Energy: 4.749945473264291
Energy: 5.453171718538966
Energy: 5.269597207079668
Energy: 5.2322239892351545
Energy: 5.4569709704340825
Energy: 5.4505523266450355
Energy: 4.866445585087476
Energy: 4.974850424098827
Energy: 5.268205147397358
Energy: 5.178496769616643
Energy: 5.275546519782556
Energy: 4.869236734786986
Energy: 4.864572287189913
Energy: 4.9790962894367325
Energy: 5.134781817382056
Energy: 4.7376321958156025
Energy: 4.978507280074248
Energy: 4.977888622772885
Energy: 4.900638854853126
Energy: 4.974934791089339
Energy: 5.231757215546261
Energy: 4.7719417198416805
Energy: 4.971412950357573
Energy: 4.972498731342305
Energy: 5.116809065072012
Energy: 5.429255005731213
Energy: 5.262987255293023
Energy: 5.121384956133967
Energy: 5.2636477869346106
Energy: 4.993466947842823
Energy: 4.7773526587099315
Energy: 5.261317937638973
Energy: 5.260374544310636
Energy: 5.175749131204167
Energy: 5.262402825810849
Energy: 5.440945018339615
Energy: 5.198412248697701
Energy: 5.40304565704048
Energy: 5.26578444034359
Energy: 5.179986752015045
Energy: 5.264212394806515
Energy: 4.997329799007971
Energy: 4.908606851807726
Energy: 5.541187470555419
Energy: 5.540745530938068
Energy: 4.903117210222913
Energy: 5.542248502566696
Energy: 4.971850321782619
Energy: 4.95320233736656
Energy: 5.541814336224908
Energy: 5.5416784162510115
Energy: 4.869084925021188
Energy: 5.541402273420855
Energy: 5.5427382267954455
Energy: 4.903750054877501
Energy: 5.541348169625818
Energy: 4.970109397324109
Energy: 4.909938758663015
Energy: 5.5385234661098535
Energy: 4.990567303561131
Energy: 5.177312233450419
Energy: 5.262854667800426
Energy: 5.001938787211274
Energy: 4.894195019115278
Energy: 5.260674840229634
Energy: 5.2858468350636185
Energy: 5.175693810465431
Energy: 5.263162166917491
Energy: 5.348609862866542
Energy: 5.625591929539448
Energy: 5.263968651946969
Energy: 5.263716426167961
Energy: 5.122487208327972
Energy: 5.265460948169929
Energy: 4.9858000549314845
Energy: 5.122114237272697
Energy: 5.452301981707841
Energy: 5.262064079061667
Energy: 5.091013750891317
Energy: 4.972825763896208
Energy: 4.978898593590619
Energy: 4.910627410235618
Energy: 4.974652488289389
Energy: 4.881012635765908
Energy: 4.763939538279721
Energy: 4.998489369761444
Energy: 4.984441781309693
Energy: 4.873793791504103
Energy: 4.984427092719687
Energy: 5.2612406805081084
Energy: 5.233421126464367
Energy: 5.276062698045815
Energy: 4.975656664589239
Energy: 4.871152618744693
Energy: 4.982562259863258
Energy: 5.278549687319224
Energy: 5.235859671545604
Energy: 5.457790350416468
Energy: 5.455188866475032
Energy: 4.884478664844598
Energy: 5.4580933034510775
Energy: 5.278842940141672
Energy: 5.167341841569492
Energy: 5.45270438313383
Energy: 5.45255946326022
Energy: 4.867611609255303
Energy: 5.455866451684047
Energy: 5.458434461017032
Energy: 5.118032777387248
Energy: 5.078161692384733
Energy: 4.790863251103739
Energy: 4.793039242228944
Energy: 5.346481715497497
Energy: 5.128735890465863
Energy: 5.17075267668129
Energy: 5.452672749954394
Energy: 5.451068665685205
Energy: 4.752133190623881
Energy: 5.453936835474943
Energy: 5.453106139321094
Energy: 5.232684295137147
Energy: 5.456663233541217
Energy: 5.457153198912223
Energy: 4.757398522321463
Energy: 5.457030694653813
Energy: 5.2773150067296015
Energy: 4.9031639386116606
Energy: 5.2722879128942015
Energy: 4.872599256979498
Energy: 4.8722307384582235
Energy: 4.9779759293279815
Energy: 5.273037355905641
Energy: 4.73704099706573
Energy: 4.97719598088349
Energy: 4.974569598488383
Energy: 4.885976098300364
Energy: 4.97615966675467
Energy: 5.346147627613697

minimum gb energy = 4.728520083662158 eV
minimum distance =  2.08207655919664 Angstroms
sigma value = 51


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

Energy: 7.95114321866633
Energy: 5.4754181666604635
Energy: 5.273597111254673
Energy: 5.382646778800067
Energy: 5.2729111117389555
Energy: 5.475033155699359
Energy: 4.813192747799128
Energy: 5.541461812562413
Energy: 5.27121760992579
Energy: 5.4304551364267555
Energy: 5.270322389339801
Energy: 5.294148725468421
Energy: 5.4784265871166
Energy: 5.279483985252449
Energy: 5.536798498480955
Energy: 5.394623654298486
Energy: 5.2714858048298066
Energy: 5.28189203130563
Energy: 5.382894837432321
Energy: 5.280768738213903
Energy: 5.280605156582249
Energy: 5.316166552718936
Energy: 5.28155817857486
Energy: 5.27971024774498
Energy: 5.39107491633201
Energy: 5.2787450519420585
Energy: 5.276705801513394
Energy: 5.391207899419076
Energy: 5.545566033800311
Energy: 5.275821019203799
Energy: 5.45572862294922
Energy: 5.544963462983816
Energy: 5.2829333630076105
Energy: 5.450768809873807
Energy: 5.542399385858226
Energy: 5.5399632950579445
Energy: 5.441486288066927
Energy: 5.544026059314934
Energy: 5.545315433164951
Energy: 5.487841796170924
Energy: 5.544763786644495
Energy: 5.539187671802492
Energy: 5.4191629048144465
Energy: 5.279906678039445
Energy: 5.283924589073797
Energy: 5.449924704527277
Energy: 5.539810844555473
Energy: 5.278026523952863
Energy: 4.811131182369893
Energy: 5.540310801961645
Energy: 5.277798253737331
Energy: 5.377004331971976
Energy: 5.274834465188151
Energy: 4.792411222221277
Energy: 4.805518454001845
Energy: 5.283281561490731
Energy: 5.2792486926556625
Energy: 5.389048470176901
Energy: 5.276464699402666
Energy: 5.482102843538621
Energy: 5.397890719302656
Energy: 5.282310585724157
Energy: 5.275280447530551
Energy: 5.400577507104412
Energy: 5.283848318565079
Energy: 5.286096819248851
Energy: 5.384289704129763
Energy: 5.292033663948022
Energy: 5.282261766918016
Energy: 5.315383611280711
Energy: 5.294239253885235
Energy: 5.292996761297015
Energy: 5.405502257110202
Energy: 5.285142299268651
Energy: 5.270980216425784
Energy: 5.314419176790933
Energy: 5.282933636138021
Energy: 5.291158888626866
Energy: 5.387884916376566
Energy: 5.287543324723596
Energy: 5.283873380722444
Energy: 5.387319770520278
Energy: 5.280092491772243
Energy: 5.286249154376075
Energy: 5.4551804436335996
Energy: 5.5439504079958075
Energy: 5.539138787040769
Energy: 5.923175932367373
Energy: 5.544270474948842
Energy: 5.541261904741695
Energy: 5.45093936734273
Energy: 5.539606264743392
Energy: 5.543638463300674
Energy: 5.889739995891633
Energy: 5.545180380633288
Energy: 5.2864950468785805
Energy: 5.386129246190067
Energy: 5.283256304067325
Energy: 5.280948689803446
Energy: 5.412522987705585
Energy: 5.281097761305078
Energy: 5.2805099617573035
Energy: 4.791971610423159
Energy: 5.285021050972155
Energy: 5.304372853359735
Energy: 5.2895370079559125
Energy: 5.30980569989412
Energy: 5.483851651880701

minimum gb energy = 4.791971610423159 eV
minimum distance =  2.08661396151134 Angstroms
sigma value = 19


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

Energy: 5.13158493969909
Energy: 5.645844100041515
Energy: 5.434994134773636
Energy: 5.13134873569297
Energy: 5.451332420952589
Energy: 5.6446027368950515
Energy: 5.0807534717255844
Energy: 5.7233224798044695
Energy: 5.43616015351719
Energy: 5.134791939521384
Energy: 5.449118518498023
Energy: 5.71972843610665
Energy: 5.207804549152334
Energy: 5.7101722429474755
Energy: 5.7763503808956544
Energy: 5.138101354247738
Energy: 5.727034540008745
Energy: 5.582697680745937
Energy: 5.2045003979326605
Energy: 5.721086154015689
Energy: 5.720686567625559
Energy: 5.287244091258333
Energy: 5.721836956730943
Energy: 5.7156629750263
Energy: 5.2125947519117455
Energy: 5.711964510962965
Energy: 5.669912030210877
Energy: 5.134925893365836
Energy: 5.777995036495904
Energy: 5.716513401406368
Energy: 5.20161352808302
Energy: 5.712762059565335
Energy: 5.453845782166524
Energy: 5.137091678192235
Energy: 5.711701576708961
Energy: 5.713855988981777
Energy: 5.203253784105466
Energy: 5.713712414528071
Energy: 5.680054978463739
Energy: 5.681318916888242
Energy: 5.711913460332913
Energy: 5.712885698414953
Energy: 5.329248131807023
Energy: 5.714407994570209
Energy: 5.436820487904657
Energy: 5.136973420130588
Energy: 5.711962053552161
Energy: 5.7522557979231586
Energy: 5.079296814203623
Energy: 5.6658871701258535
Energy: 5.450277598465304
Energy: 5.134041340914574
Energy: 5.451679830354362
Energy: 5.711264024540383
Energy: 5.079740552132079
Energy: 5.455201105852172
Energy: 5.4566843033716665
Energy: 5.138255697311714
Energy: 5.458889712207091
Energy: 5.73789634348247
Energy: 5.206829917861819
Energy: 5.710917544079112
Energy: 5.452252899728055
Energy: 5.329532029239464
Energy: 5.452862186267443
Energy: 5.720985413073105
Energy: 5.211327846805934
Energy: 5.710637773764166
Energy: 5.7110351180892645
Energy: 5.335091779894345
Energy: 5.711453834221428
Energy: 5.584921076983709
Energy: 5.091540640150828
Energy: 5.714325377115048
Energy: 5.712446320480479
Energy: 5.203787298957353
Energy: 5.713876036762896
Energy: 5.712395876547186
Energy: 5.205245740259741
Energy: 5.712780515677684
Energy: 5.718111734078409
Energy: 5.329981873271785
Energy: 5.712574372687531
Energy: 5.207874479957181
Energy: 5.209336430438544
Energy: 5.450941674040985
Energy: 5.712394052736593
Energy: 5.105557803352175
Energy: 5.4519075229520775
Energy: 5.455793755683115
Energy: 5.330149813665729
Energy: 5.453801366045263
Energy: 5.644465154762035
Energy: 5.062686686780536
Energy: 5.454740020454147
Energy: 5.436261282380551
Energy: 5.131420598947
Energy: 5.454036625155592
Energy: 5.7118637268104395
Energy: 5.143785598734158
Energy: 5.712747738001207
Energy: 5.451578263186851
Energy: 5.282701993667924
Energy: 5.7115223276189875
Energy: 5.724321354706722
Energy: 5.208783322066917
Energy: 5.726645407083092
Energy: 5.712019575688236
Energy: 5.278801759577805
Energy: 5.712607340806639
Energy: 5.760029871944104
Energy: 5.71072624278871
Energy: 5.76043683162543
Energy: 5.7806808879622125
Energy: 5.13474893078034
Energy: 5.662254927562996
Energy: 5.206948437186822
Energy: 5.196780263719479
Energy: 5.709164010824454
Energy: 5.130967842847229
Energy: 5.105258806300252
Energy: 5.721575112529279
Energy: 5.709444434206959
Energy: 5.207056649059348
Energy: 5.712761254093067
Energy: 5.455297353966323
Energy: 5.1132175584694375
Energy: 5.72283083995612
Energy: 5.7173272263195605
Energy: 5.210565274335436
Energy: 5.718966671656095
Energy: 5.691733825860517
Energy: 5.13427724129333
Energy: 5.456360549047242
Energy: 5.709881076896906
Energy: 5.142345319651252
Energy: 5.709697939022533
Energy: 5.436142791939545
Energy: 5.328863249467048
Energy: 5.451820032905333
Energy: 5.690384830353883
Energy: 5.082472554803503
Energy: 5.437387306199309
Energy: 5.456798963315256
Energy: 5.441284072404476
Energy: 5.434834933361973
Energy: 5.708583840204848
Energy: 5.08013616176311
Energy: 5.451902790307034
Energy: 5.533005725602053
Energy: 5.321756860080587
Energy: 5.330442668954906
Energy: 5.714041222372674
Energy: 5.3347681827250995
Energy: 5.71134424981299
Energy: 5.332937510512101
Energy: 5.136552985927298
Energy: 5.712024254107013
Energy: 5.711881787822011
Energy: 5.207757440450121
Energy: 5.712842230119026
Energy: 5.710463098540338
Energy: 5.206458272477143
Energy: 5.710568486505024
Energy: 5.710772249663499
Energy: 5.108402477664833
Energy: 5.7119239278485585
Energy: 5.582369761820032
Energy: 5.209047461785685
Energy: 5.710525654478515
Energy: 5.453036219231925
Energy: 5.32818874661873
Energy: 5.67284755567018
Energy: 5.585936401308152
Energy: 5.063126730788199
Energy: 5.512473128720338
Energy: 5.454822134968134
Energy: 5.207148680605556
Energy: 5.4549626212387015
Energy: 5.681646281514165

minimum gb energy = 5.062686686780536 eV
minimum distance =  2.0978667299566 Angstroms
sigma value = 27


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

Energy: 6.167746159963415
Energy: 5.478353550674745
Energy: 5.442968975798203
Energy: 5.052702089019587
Energy: 5.44367230239144
Energy: 5.4797426803522375
Energy: 4.973716715473173
Energy: 5.447348843205505
Energy: 5.0460686663158665
Energy: 5.060277858683171
Energy: 5.456635658872711
Energy: 5.4415195784201345
Energy: 5.06992905203777
Energy: 5.443699620722467
Energy: 5.481081466533234
Energy: 5.06880836591504
Energy: 5.446282641056797
Energy: 5.070028172509505
Energy: 5.4502956321199525
Energy: 5.452483751712635
Energy: 5.460293015803755
Energy: 5.063212064808652
Energy: 5.457334810877679
Energy: 5.456155095086011
Energy: 5.065663041789777
Energy: 5.442354091149851
Energy: 5.480607217328839
Energy: 5.06255101811582
Energy: 5.479039076819714
Energy: 5.442077543515736
Energy: 5.040900029927718
Energy: 5.453449599673127
Energy: 5.446908341727505
Energy: 5.073797023467164
Energy: 5.482513434050463
Energy: 5.4475943343234015
Energy: 5.071168737561244
Energy: 5.446245714476341
Energy: 5.4788990489345855
Energy: 5.478473343309965
Energy: 5.441276506286093
Energy: 5.067116339480971
Energy: 5.057727122539519
Energy: 5.461221409833056
Energy: 5.448200099583864
Energy: 5.073583133285864
Energy: 5.482718887773498
Energy: 5.063326509900447
Energy: 5.066482482328669
Energy: 5.451527192524893
Energy: 5.4427494316703795
Energy: 5.072365707202219
Energy: 5.445870796055355
Energy: 5.482367179947033
Energy: 5.453450718708626
Energy: 5.458171058814108
Energy: 5.456031604961732
Energy: 5.047582198144892
Energy: 5.453805489972362
Energy: 5.446036812655004
Energy: 5.061503296015847
Energy: 5.479228720429392
Energy: 5.445725459262344
Energy: 5.067026534471167
Energy: 5.4413575587506635
Energy: 5.034289975296049
Energy: 5.070058759242407
Energy: 5.4820118495849774
Energy: 5.453229039968591
Energy: 5.052287277481649
Energy: 5.449218388165353
Energy: 5.440208662409911

minimum gb energy = 4.973716715473173 eV
minimum distance =  2.10380196898118 Angstroms
sigma value = 9


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

Energy: 5.471005113326679
Energy: 5.041337634126124
Energy: 5.067840964708541
Energy: 5.068939530491965
Energy: 5.069306272348341
Energy: 5.780324608965713
Energy: 5.041487205098379
Energy: 6.009246320265934
Energy: 5.069106021435351
Energy: 5.189151379505416
Energy: 5.069938059734929
Energy: 5.063173141651206
Energy: 5.327518070449051
Energy: 6.002169118114697
Energy: 5.620473832511374
Energy: 5.191293546070943
Energy: 6.013242480365698
Energy: 5.068517402875889
Energy: 5.0708364072541565
Energy: 6.001735216373894
Energy: 6.003352048641144
Energy: 5.1859076850222605
Energy: 6.003756331296124
Energy: 5.736014892005068
Energy: 5.332430685386039
Energy: 6.006834231085364
Energy: 5.067758302927853
Energy: 5.196133491693668
Energy: 6.008024632354079
Energy: 5.071731996369756
Energy: 5.186607787488621
Energy: 5.071782304879712
Energy: 6.003136046555663
Energy: 5.084780823972642
Energy: 6.014399482046625
Energy: 5.067617217899056
Energy: 5.06751265761616
Energy: 5.068814075763627
Energy: 5.051928565164272
Energy: 5.034341950098236
Energy: 5.0691480982211
Energy: 5.066827359357414
Energy: 5.065872016738969
Energy: 5.073370149393446
Energy: 6.0019892169138735
Energy: 5.0848352182721355
Energy: 6.007505190140752
Energy: 5.069607532020088
Energy: 5.075137002803421
Energy: 5.897852238843926
Energy: 5.4781338098784325
Energy: 5.090045988159737
Energy: 6.00665206285436
Energy: 5.074255647072716
Energy: 5.075056730219451
Energy: 5.8992245778563985
Energy: 5.909891484916585
Energy: 5.049190778376057
Energy: 5.910131431989923
Energy: 5.067465670587662
Energy: 5.0693812577423545
Energy: 5.904955065990232
Energy: 5.475336535055015
Energy: 5.043050505545655
Energy: 5.642354913229007
Energy: 5.067716512422074
Energy: 5.064857695384112
Energy: 5.907385154029038
Energy: 5.071812060734498
Energy: 5.0877797282866375
Energy: 5.069575069651149
Energy: 5.071915957892674
Energy: 5.161918877061912
Energy: 5.480396195785329
Energy: 5.087169427800665
Energy: 5.08510424879594
Energy: 5.477141371389552
Energy: 5.90289787404035
Energy: 5.061436872317537
Energy: 5.9110413449607595
Energy: 5.474416633948302
Energy: 5.086710348056946
Energy: 5.069094641245104
Energy: 5.071782244746642
Energy: 5.092421273629561
Energy: 5.907437560986621
Energy: 5.070954571318229
Energy: 5.0823324214361065
Energy: 5.477569055397749
Energy: 5.086608369827277
Energy: 5.0316217895929904
Energy: 5.47222509344523
Energy: 5.088605710333487
Energy: 5.0829699423061845
Energy: 5.480722242770101
Energy: 5.040252756431667
Energy: 5.066720591516894
Energy: 5.0708132699397535
Energy: 5.057945087582111
Energy: 5.0861554407107
Energy: 5.071927000883823
Energy: 5.04403931828122
Energy: 5.082829785435941
Energy: 5.90027992715488
Energy: 5.071526935435802
Energy: 5.32691432143459
Energy: 5.9334083123819426
Energy: 5.081249639311616
Energy: 5.070625959906566
Energy: 5.61372974590156
Energy: 5.911444469440274
Energy: 5.7192411533528995
Energy: 5.9114408964935965
Energy: 5.068641553444966
Energy: 5.074358117211066
Energy: 5.9087496567023345
Energy: 5.477332011213242
Energy: 5.327451917495215
Energy: 5.909112475111116
Energy: 5.632306579946157
Energy: 5.062124965352469
Energy: 5.065804660779829
Energy: 5.069659214852539
Energy: 5.086625663775154
Energy: 6.003831000197077
Energy: 5.0690311113532545
Energy: 5.071315485137283
Energy: 5.0672341074351115
Energy: 5.043626601399759
Energy: 5.048833866599614
Energy: 5.069586855998724
Energy: 5.069458672143835
Energy: 5.068138871146988
Energy: 5.070654507152104
Energy: 6.015228631835283
Energy: 5.048174557717356
Energy: 5.072474108496118
Energy: 5.070130976447084
Energy: 5.330664275370072
Energy: 5.067352166000833
Energy: 5.069375772363335
Energy: 5.086817059092248
Energy: 6.015597349596645
Energy: 5.068788780672133
Energy: 5.064337599817723
Energy: 6.0173455925621155
Energy: 5.733297109770869
Energy: 5.184499424555434
Energy: 6.01614109801834
Energy: 6.0131615415307085
Energy: 5.329214323641982
Energy: 6.012563575708656
Energy: 6.000508594231729
Energy: 5.071833361730986
Energy: 6.0061046822910535
Energy: 5.068888771171794
Energy: 5.086613985480671
Energy: 6.001336690382107
Energy: 5.065504242773832
Energy: 5.1868808452806325
Energy: 5.069310466417812
Energy: 5.081540526598658
Energy: 5.292376136297763
Energy: 5.07139310093856
Energy: 5.066301425524661
Energy: 5.072396358562379
Energy: 5.07523345959669
Energy: 5.051073092059006
Energy: 5.045772141530232
Energy: 5.06944002208301
Energy: 5.073246674540366
Energy: 5.068412680052168
Energy: 5.071636611691724
Energy: 5.045592422770741
Energy: 5.08583433880536
Energy: 6.01675344895119
Energy: 5.0704795858606095
Energy: 5.073168242325249
Energy: 5.614989445838174
Energy: 5.080377491746158
Energy: 5.04658488758879
Energy: 5.931435420420067
Energy: 5.902199363534019
Energy: 5.069353251525931
Energy: 5.622384653648441
Energy: 5.474490548941206
Energy: 5.04465548768443
Energy: 5.909889691303668
Energy: 5.068430714068089
Energy: 5.069314598103478
Energy: 5.906407556551875
Energy: 5.984400493567968
Energy: 5.092351177994578
Energy: 5.479024446574121
Energy: 6.079460518487378
Energy: 5.092241200188554
Energy: 5.905109942650576
Energy: 5.091848562690494
Energy: 5.078303802654366
Energy: 5.056665948032287
Energy: 5.07087680728242
Energy: 5.163028258442507
Energy: 5.07094065217388
Energy: 5.069260558133519
Energy: 5.088871699639708
Energy: 5.070922432760559
Energy: 5.911959949683049
Energy: 5.307511723096431
Energy: 5.200326301138862
Energy: 5.0778867363020845
Energy: 5.081461785430866
Energy: 5.070274967644044
Energy: 5.827884321181039
Energy: 5.083611100012325
Energy: 5.993557858284681
Energy: 5.069679420834726
Energy: 5.091839062010628
Energy: 5.072559278118879
Energy: 5.6090996733774405
Energy: 5.066214199303507
Energy: 5.071608618415475
Energy: 5.068902429820851
Energy: 5.077552295367187
Energy: 5.484126953926753
Energy: 5.041366788628136
Energy: 5.0334689445613074
Energy: 5.4768042135569175
Energy: 5.069953999547829
Energy: 5.079792609534755
Energy: 5.481450942599984
Energy: 5.899650205272029
Energy: 5.0945884377157995
Energy: 5.910848286295321
Energy: 5.090061482954077
Energy: 5.163430492097323
Energy: 5.907473230113075
Energy: 5.068085251514894
Energy: 5.067755309391456
Energy: 5.9036045343764565
Energy: 5.911741065470488
Energy: 5.334191136412052
Energy: 5.9480644918946055
Energy: 5.60743837926076
Energy: 5.068369378255984
Energy: 5.899839264559249
Energy: 5.06930181490886
Energy: 5.0842769315492795
Energy: 6.126209127911057
Energy: 5.071535883444789
Energy: 5.072779740831203
Energy: 5.658466977337446
Energy: 5.0823533728973675
Energy: 5.053395668695956
Energy: 5.6227954789723205
Energy: 5.073154195589013
Energy: 5.068430493431656
Energy: 5.150248920943155
Energy: 5.982921952920272

minimum gb energy = 5.0316217895929904 eV
minimum distance =  2.07360214701769 Angstroms
sigma value = 57


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

Energy: 9.348864015755396
Energy: 4.526645511398752
Energy: 4.557761446699718
Energy: 4.5533948993726865
Energy: 4.558277306031494
Energy: 4.527214570634226
Energy: 4.5218167351329885
Energy: 5.1308536128659705
Energy: 4.707845765840908
Energy: 4.697991417501494
Energy: 4.554921140356551
Energy: 4.562337084985361
Energy: 4.7054303085491025
Energy: 4.560864574594387
Energy: 5.432438723661348
Energy: 4.557990838078873
Energy: 5.125198299453284
Energy: 4.560745000585298
Energy: 4.527449056337383
Energy: 5.1226506051167
Energy: 5.123705476365504
Energy: 4.568568289130991
Energy: 5.130623143175141
Energy: 4.530853566758846
Energy: 4.5274171695135195
Energy: 5.425583508581925
Energy: 4.5627811997377705
Energy: 4.704431571170537
Energy: 5.128583898562846
Energy: 4.559197768970498
Energy: 4.700747308975578
Energy: 4.561425260001056
Energy: 5.441551255914339
Energy: 4.7040510289302935
Energy: 4.557096320041961
Energy: 4.702135666357561
Energy: 4.550780599024623
Energy: 4.56727432390229
Energy: 4.555219151803064
Energy: 5.083101795625453
Energy: 4.563211450429809
Energy: 4.556379607877627
Energy: 4.56398763256835
Energy: 4.567162371233285
Energy: 4.554499754496046
Energy: 4.7044039276423035
Energy: 4.563598705610692
Energy: 4.561815291062986
Energy: 4.555489649652259
Energy: 4.560679934826327
Energy: 4.560392280629694
Energy: 4.704992373382657
Energy: 4.562011787705171
Energy: 4.559347221373618
Energy: 4.557691460083059
Energy: 4.559873035061385
Energy: 4.531151810934757
Energy: 4.524029118635593
Energy: 4.565195911635134
Energy: 4.558360438228506
Energy: 4.55991308600046
Energy: 4.562879925075994
Energy: 4.562374693488852
Energy: 4.5277145922170945
Energy: 4.7052778874192684
Energy: 4.561312958210455
Energy: 4.711890624875828
Energy: 4.557650445291459
Energy: 4.560902302251654
Energy: 4.698464686018786
Energy: 5.436592536732605
Energy: 4.560444044679888
Energy: 4.556622561048534
Energy: 5.1320212126209865
Energy: 5.425846959312347
Energy: 4.559591262034691
Energy: 5.429562964983445
Energy: 5.127406003766001
Energy: 4.71032303485195
Energy: 5.424398138346897
Energy: 5.435173401116536
Energy: 4.531849453430637
Energy: 5.121515565433475
Energy: 4.561272642601814
Energy: 4.703673224493654
Energy: 5.12702057792758
Energy: 4.562228243118116
Energy: 4.707375159999549
Energy: 4.56491155009272
Energy: 4.563913613445223
Energy: 4.514088348799032
Energy: 4.559858944120747
Energy: 4.556652907481201
Energy: 4.558663644668904
Energy: 4.563745552660902
Energy: 5.083736091273225
Energy: 4.515964247942414
Energy: 4.703470128110794
Energy: 4.562693758743524
Energy: 4.563941322068361
Energy: 4.566621383430407
Energy: 5.123977138079401
Energy: 4.693632058838179
Energy: 4.707051849296471
Energy: 4.559533281380983
Energy: 4.552805062997036
Energy: 4.5562261156764166
Energy: 4.561208380548202
Energy: 4.768204897455481
Energy: 4.5637716576451846
Energy: 4.5626865008287245
Energy: 4.560461405138972
Energy: 4.7043576851378
Energy: 4.560888220355657

minimum gb energy = 4.514088348799032 eV
minimum distance =  2.13740788659797 Angstroms
sigma value = 11


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

Energy: 4.311942219168405
Energy: 4.264546453321032
Energy: 4.267261723080317
Energy: 4.266059818399821
Energy: 4.265529414291603
Energy: 4.265481120916438
Energy: 4.252463953714075
Energy: 4.266676736257113
Energy: 4.347048703908408
Energy: 4.408914813419353
Energy: 4.274593873930514
Energy: 4.269788536592531
Energy: 4.268005293310715
Energy: 5.093702513755725
Energy: 4.265111522574611
Energy: 4.272760655642342
Energy: 4.272048358108154
Energy: 5.09534737881982
Energy: 4.2476267108460055
Energy: 5.092740259826402
Energy: 4.26637788866424
Energy: 4.272112296908079
Energy: 4.270133864497485
Energy: 4.251178578854227
Energy: 4.2492164634276595
Energy: 4.681795906430515
Energy: 4.263848729039368
Energy: 4.407302330239863
Energy: 4.267665527171657
Energy: 4.251005417943443
Energy: 4.405681129620476
Energy: 5.098748820035823
Energy: 5.086852372915274
Energy: 4.409297056076719
Energy: 4.681160690624069
Energy: 4.266483162963757
Energy: 4.407671580501733
Energy: 4.270963191175163
Energy: 4.268853727698529
Energy: 4.249008127359861
Energy: 4.268802930024747
Energy: 4.264079084247761
Energy: 4.251189712437963
Energy: 5.093278074881553
Energy: 4.678552170989704
Energy: 4.408051206717574
Energy: 5.0990778166254
Energy: 4.270224685521231
Energy: 4.412134429323014
Energy: 4.265333710845025
Energy: 5.6710091112626895
Energy: 4.406624198708286
Energy: 4.2686542030256
Energy: 4.266214529842699
Energy: 4.2659449390156565
Energy: 4.263970745950778
Energy: 4.270964317450334
Energy: 4.3058611763187775
Energy: 4.265728123770641
Energy: 4.269231963744987
Energy: 4.2686949780820616
Energy: 4.267276714981647
Energy: 4.270135704364115
Energy: 4.251863473884102
Energy: 4.268782467666889
Energy: 4.266738991363052
Energy: 4.262526936831606
Energy: 4.264029786217811
Energy: 5.659198070223145
Energy: 4.26896886566593
Energy: 4.266356482792333
Energy: 4.264024967057817
Energy: 4.269968429775015
Energy: 4.270527392152893
Energy: 4.681967186413024
Energy: 4.250473334041363
Energy: 4.348705699921818
Energy: 4.274127771862257
Energy: 4.272127589519685
Energy: 4.267125633470212
Energy: 4.2532126190068
Energy: 4.256223010543567
Energy: 4.266561900771723
Energy: 4.2704934052586845
Energy: 4.4070488336822145
Energy: 4.2686062392291095
Energy: 5.660579194536171
Energy: 4.413291041579294
Energy: 4.270369427706815
Energy: 4.2720817270616145
Energy: 4.404455739097319
Energy: 4.269445140273252
Energy: 5.093797942728081
Energy: 4.263589496289077
Energy: 5.093618911215416
Energy: 4.266006090225434
Energy: 4.398818914996699
Energy: 4.271387402349296
Energy: 5.608161463130215
Energy: 4.354020041574222
Energy: 4.267866231888322
Energy: 4.263313261961632
Energy: 4.406087354896595
Energy: 4.26954243533229
Energy: 4.681738451225296
Energy: 4.248200080996328
Energy: 4.682498991118309
Energy: 4.270181797113201
Energy: 4.277510880347153
Energy: 4.682572354850453
Energy: 4.2670992985178415
Energy: 4.409452836862472
Energy: 5.091478296340471
Energy: 5.083139568906265
Energy: 4.24768150318611
Energy: 4.270398799015465
Energy: 4.270360401531495
Energy: 4.3978686171048444
Energy: 4.2710441590363
Energy: 4.681632125519204
Energy: 4.40460877060429
Energy: 4.6838452254086675
Energy: 4.269641913035167
Energy: 4.2517213971407815
Energy: 5.084017883885871
Energy: 5.09703523456678
Energy: 4.265745558618898
Energy: 4.2672201900599465
Energy: 4.269836946286476
Energy: 4.4063284233152675
Energy: 4.268055743540828
Energy: 5.088986480861614
Energy: 4.383447101665632
Energy: 4.263665307251555
Energy: 4.266846173637683
Energy: 4.270299126128867
Energy: 4.263557563914419
Energy: 5.065676611233342
Energy: 4.250043352363224
Energy: 4.270849933549229
Energy: 4.2754684246423444
Energy: 4.272680917381519
Energy: 4.26797538471708
Energy: 5.088866196092635
Energy: 4.2649149495864265
Energy: 5.661773133223289
Energy: 4.263494556609338
Energy: 4.26454639715473
Energy: 4.2649364225719335
Energy: 5.6707161027818085
Energy: 4.262900849077371
Energy: 4.345057659212118
Energy: 4.2666884017568085
Energy: 4.265607111474705
Energy: 4.268054189967761
Energy: 4.253759820973178

minimum gb energy = 4.2476267108460055 eV
minimum distance =  2.12430016052224 Angstroms
sigma value = 41


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

Energy: 4.042781555164984
Energy: 3.9874326280967356
Energy: 4.0009064989899255
Energy: 4.001761902353921
Energy: 4.001108618341807
Energy: 3.953087264347446
Energy: 3.981427676180942
Energy: 3.9999576112982798
Energy: 4.04179460804429
Energy: 4.114953665168033
Energy: 3.9978234669497565
Energy: 3.999344438405804
Energy: 4.005703986454728
Energy: 4.001492553253169
Energy: 4.000087007794515
Energy: 4.1351524236384245
Energy: 3.9997761390911357
Energy: 4.0017588720516155
Energy: 3.9835176490162882
Energy: 3.9993037632891304
Energy: 3.9997713037447546
Energy: 4.134701472955271
Energy: 4.000155307756537
Energy: 5.242058539220975
Energy: 3.982281120212273
Energy: 3.9987144106880415
Energy: 4.0001528519021425
Energy: 4.125002298559288
Energy: 4.000827185059704
Energy: 5.243389464064316
Energy: 3.9963634766428884
Energy: 4.002209235002773
Energy: 4.001804521009676
Energy: 3.99705772218848
Energy: 4.002808766957572
Energy: 4.000254286746723
Energy: 3.997818296588629
Energy: 4.807342137197042
Energy: 4.805318606626436
Energy: 4.816094806124617
Energy: 4.805836244527638
Energy: 4.00197106485661
Energy: 3.980290508775492
Energy: 4.8062806110268514
Energy: 4.001333644514711
Energy: 3.99736541398087
Energy: 5.25295699458507
Energy: 3.980696141942298
Energy: 3.9985047799995734
Energy: 4.002318246297369
Energy: 4.001566968522976
Energy: 3.997804644686142
Energy: 4.001107631622448
Energy: 3.9994227528207564
Energy: 4.001349296159731
Energy: 4.000506989992335
Energy: 3.9999088052544796
Energy: 4.006750890507571
Energy: 3.999192129387365
Energy: 4.000414674507531
Energy: 4.1356736723584175
Energy: 3.9988839322732432
Energy: 3.9984089277013726
Energy: 3.965416038644952
Energy: 3.999334093992705
Energy: 3.999316153880782
Energy: 4.130833672905124
Energy: 3.999600324353836
Energy: 4.819469957939651
Energy: 3.9975460623661214
Energy: 3.9992150264765316
Energy: 3.999896223112458
Energy: 3.9968965018394615
Energy: 3.998558953081684
Energy: 3.9998482790891363
Energy: 3.980596742395045
Energy: 4.002353592890191
Energy: 3.998947312551415
Energy: 3.996470533954552
Energy: 3.9982499848603017
Energy: 3.9547040614053595
Energy: 3.955636331196463
Energy: 3.999431390126303
Energy: 4.0003861765065745
Energy: 4.005089013915375
Energy: 4.0014487599899775
Energy: 3.9990662939584647
Energy: 4.042372406701164
Energy: 4.000564955657347
Energy: 4.001432966270884
Energy: 4.0014819015403384
Energy: 4.0008396802319925
Energy: 3.9990174273289085
Energy: 4.754053752395146
Energy: 3.9986953979427255
Energy: 4.000284484322859
Energy: 4.002053165150004
Energy: 3.998360145567716
Energy: 3.9841778035806006
Energy: 5.226809896786531
Energy: 3.998232547664641
Energy: 3.999609372840456
Energy: 3.9971438774179573
Energy: 3.9993346719721283
Energy: 3.9990835440573043
Energy: 3.9878136419407397
Energy: 4.044253851760442
Energy: 3.998696557957826
Energy: 4.118175511119362
Energy: 3.999496206698583
Energy: 4.807119719110308
Energy: 3.997962486417181
Energy: 3.998292916135709
Energy: 4.000266248747522
Energy: 4.135976942152378
Energy: 4.001292387387038
Energy: 3.9988572027448708
Energy: 3.9835265953783607
Energy: 3.998941455722587
Energy: 3.9995481920837026
Energy: 4.001093613125973
Energy: 4.000389869288166
Energy: 3.98510147158195
Energy: 3.98267877926085
Energy: 4.0016355878665735
Energy: 3.999419816004489
Energy: 3.991865148487131
Energy: 4.0002855103538755
Energy: 5.248109265777529
Energy: 3.996774453425943
Energy: 4.813918591731803
Energy: 3.999833476924121
Energy: 3.996085646906781
Energy: 4.80415162700947
Energy: 4.002861251851195
Energy: 3.9947074852936506
Energy: 5.252919272509047
Energy: 5.247349090996578
Energy: 3.996588572001327
Energy: 4.002363220527852
Energy: 5.243707418649267
Energy: 3.9831303879648785
Energy: 4.8031601106549635
Energy: 4.00149724485677
Energy: 4.006178685223271
Energy: 4.812037444223556
Energy: 4.792102835651913
Energy: 3.9935251114301553
Energy: 4.000777517120169
Energy: 4.000087054967298
Energy: 3.994376702582981
Energy: 3.9992692264695213
Energy: 4.000580308667986
Energy: 3.999635158635219
Energy: 3.9991399871992033
Energy: 3.999396602419556
Energy: 4.001756063469522
Energy: 3.9997658388125243
Energy: 3.9986045465136106
Energy: 4.131963237319952
Energy: 3.999265341099787
Energy: 3.9992909053454673
Energy: 4.003800182202608
Energy: 4.000919693031683
Energy: 3.9986393443968846
Energy: 4.132900303410221
Energy: 3.999416373246455
Energy: 5.2511922346127395
Energy: 4.0041956313195115
Energy: 3.998366533230926
Energy: 3.9978320277720245
Energy: 4.134059682848246
Energy: 4.000568776043441
Energy: 3.999874083502855
Energy: 3.993285849302625
Energy: 3.999767505336826
Energy: 4.001263951395827
Energy: 4.001364332744946
Energy: 4.001404674939445
Energy: 3.9545458598472094
Energy: 4.00852162862282
Energy: 3.999185488497836
Energy: 3.99769111286439
Energy: 3.9996645278052245
Energy: 4.047543753435541
Energy: 3.9996240271608627
Energy: 4.003872506456206
Energy: 4.000069925220882
Energy: 3.999706758034377
Energy: 4.007605648116908
Energy: 3.997709497364713
Energy: 3.9986155616573
Energy: 3.9439296506539145
Energy: 4.000093129158084
Energy: 3.999723732886129
Energy: 4.006906163088963
Energy: 3.998546690657015
Energy: 3.982262641196965

minimum gb energy = 3.9439296506539145 eV
minimum distance =  2.11413416136403 Angstroms
sigma value = 33


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

Energy: 4.6430192307285365
Energy: 3.5231450394147537
Energy: 3.5712377384377336
Energy: 3.5687087171728735
Energy: 3.5712639371416204
Energy: 3.5233110141096855
Energy: 3.516643325712805
Energy: 3.5252715896703704
Energy: 3.575218093309289
Energy: 3.546450425321345
Energy: 3.527033324789632
Energy: 3.525936529742692
Energy: 3.63866736856334
Energy: 4.118077641541646
Energy: 3.525769281000662
Energy: 3.5542228010371884
Energy: 3.5246128169678554
Energy: 4.1213476693903885
Energy: 3.4991250206805176
Energy: 3.525216589956648
Energy: 3.5230892609187574
Energy: 3.6290656508463504
Energy: 3.5226453390264902
Energy: 3.510937597716253
Energy: 3.4986044752424466
Energy: 3.524800086766825
Energy: 3.524247058214471
Energy: 3.6250257222221385
Energy: 3.5239475010230112
Energy: 3.510646068287006
Energy: 3.5364834353908714
Energy: 4.123460319831082
Energy: 4.118512882935474
Energy: 3.5412600966631054
Energy: 4.119021240631733
Energy: 4.604203827199084
Energy: 3.53493099342808
Energy: 4.636316505658813
Energy: 4.125145506769817
Energy: 4.11978964586871
Energy: 4.617380264041342
Energy: 4.636915491364073
Energy: 3.5087270154153205
Energy: 4.119459714519267
Energy: 4.1205394012499195
Energy: 3.541210664161083
Energy: 4.121606236699476
Energy: 4.593503862522297
Energy: 3.6528567116888326
Energy: 4.6349742612926965
Energy: 4.1258287599498695
Energy: 3.5227104756637826
Energy: 4.630049644480519
Energy: 4.635065071989086
Energy: 3.6378456548585225
Energy: 4.640961178254774
Energy: 4.643581139090142
Energy: 4.6370680502677954
Energy: 4.6455070068645625
Energy: 4.6353592887948905
Energy: 3.5085935800197543
Energy: 4.645867633647044
Energy: 4.640204115478704
Energy: 4.208799078927655
Energy: 4.642054659349546
Energy: 4.64338825740314
Energy: 3.5107410664634355
Energy: 4.643619969170335
Energy: 4.643024062056667
Energy: 4.121502410023266
Energy: 4.646012296851933
Energy: 4.637900138671934
Energy: 3.6381033514852574
Energy: 4.12249302643614
Energy: 4.635234976474734
Energy: 4.63382929584896
Energy: 4.11832626452494
Energy: 4.121290892126543
Energy: 3.542477688160768
Energy: 4.120515297368421
Energy: 4.122763788316385
Energy: 4.628783254395021
Energy: 4.119192230707546
Energy: 4.120569830997283
Energy: 3.5168359469218538
Energy: 4.124129362378198
Energy: 4.6369699060876135
Energy: 4.645813468488918
Energy: 4.653534300981075
Energy: 4.122087799575091
Energy: 3.548463764892646
Energy: 4.12082440837418
Energy: 4.119402515281028
Energy: 4.637445489691061
Energy: 4.119769281589637
Energy: 4.122652070534651
Energy: 3.623385545270853
Energy: 3.527619911209117
Energy: 4.108455239880266
Energy: 4.111667182994097
Energy: 3.5241537805427767
Energy: 3.523520558773925
Energy: 3.54350300078327
Energy: 3.5247702478234397
Energy: 3.5292149616348927
Energy: 4.623071223251242
Energy: 3.5269158643494096
Energy: 3.526439980922661
Energy: 3.633227462091224
Energy: 3.528206986146384
Energy: 4.119700915809468
Energy: 4.644299602298925
Energy: 3.5235119198375253
Energy: 3.51793324207282
Energy: 3.53913951198898
Energy: 3.525642048829849
Energy: 3.5257607184602615
Energy: 4.629944351941484
Energy: 3.529988519719685
Energy: 3.5238271709510833
Energy: 3.5136754313801237
Energy: 3.520958934751277
Energy: 3.5087636767912924
Energy: 4.110476583234206
Energy: 3.524487718919138
Energy: 3.5213345187236147
Energy: 3.5324052262237258
Energy: 3.526636307400558
Energy: 3.523105991854807
Energy: 4.621031694096934
Energy: 3.52440249939152
Energy: 3.5270169543176
Energy: 3.5321143125848584
Energy: 3.5324359240900196
Energy: 3.5244714251913996
Energy: 4.6289326081805715
Energy: 3.5237036301715903
Energy: 3.5314052013856254
Energy: 3.5264218131045086
Energy: 3.523334381446426
Energy: 3.506771046787827
Energy: 3.4976661256968504
Energy: 3.5261394068968155
Energy: 3.522920758770129
Energy: 3.543325811813812
Energy: 3.530405522660183
Energy: 3.5259986442577973
Energy: 4.581164614526187
Energy: 3.5211873679759904
Energy: 3.526547186972048
Energy: 3.540252079077663
Energy: 3.5250751848060786
Energy: 4.119606630173192
Energy: 4.600910938946341
Energy: 3.525243111636984
Energy: 3.520247880723803
Energy: 3.5499626408690697
Energy: 3.523378802865049
Energy: 3.525908981713283
Energy: 4.64307380160628
Energy: 3.5247374330221946
Energy: 3.521681681385575
Energy: 3.6245750144076063
Energy: 3.5246037841746967
Energy: 3.5102943454349425
Energy: 4.644747315452774
Energy: 3.524455904178032
Energy: 3.5362937614153456
Energy: 3.5421873773232493
Energy: 4.1181332987155
Energy: 4.122833204231142
Energy: 4.638258880885218
Energy: 4.122352992369928
Energy: 4.120417080861529
Energy: 3.6338837928751273
Energy: 4.649598700952023
Energy: 4.63738920413312
Energy: 4.64350823787062
Energy: 4.637966661454553
Energy: 4.1217031356723215
Energy: 3.5435948215801494
Energy: 4.1207279071759295
Energy: 4.587541244693611
Energy: 4.597601121802237
Energy: 4.122138122085174
Energy: 4.119497139799225
Energy: 3.550982450309472
Energy: 4.124039911788266
Energy: 4.635430330079909
Energy: 4.641354038852373
Energy: 4.636692718601206
Energy: 4.124359946764614
Energy: 3.636452725370008
Energy: 4.645552379262178
Energy: 4.638726386499793
Energy: 4.121437579720287
Energy: 4.646826475545704
Energy: 4.640261034338566
Energy: 3.6370508299688713
Energy: 4.6452265319972215
Energy: 4.642535723097367
Energy: 4.583033528273156
Energy: 4.647756965222384
Energy: 4.641103949874141
Energy: 3.638909779129445
Energy: 4.643781413118086
Energy: 4.643260275079448
Energy: 4.584277283854526
Energy: 4.646681842544801
Energy: 4.635534181221282
Energy: 3.535178067407403
Energy: 4.63598851027843
Energy: 4.1250568871311755
Energy: 3.5411496877501674
Energy: 4.622341681068236
Energy: 4.634754845660604
Energy: 3.525681670654671
Energy: 4.120756401039061
Energy: 4.12062753623577
Energy: 3.536833688670114
Energy: 4.120847605020906
Energy: 4.630110600458646
Energy: 3.5331225423614208
Energy: 4.637834355318151
Energy: 4.634951054983117
Energy: 3.512673544941271
Energy: 4.6451379492791425
Energy: 4.636378368891182
Energy: 3.5473051791959267
Energy: 4.1199824926338895
Energy: 4.121185685973795
Energy: 3.5396763121804926
Energy: 4.1203874871645825
Energy: 4.6037209159478865
Energy: 4.3075785339966535
Energy: 3.5249456315533334
Energy: 3.5374958922096362
Energy: 3.626047847618671
Energy: 3.523028616722239
Energy: 4.107688077043415
Energy: 3.519675280293138
Energy: 3.5250233971315286
Energy: 3.5257001774423564
Energy: 3.5369070554956084
Energy: 3.523560456314155
Energy: 3.524619246166566
Energy: 3.645835346220092
Energy: 4.118015507423715
Energy: 3.5269433850362795
Energy: 3.6280866414435207
Energy: 3.5235052595580196
Energy: 4.118962867932713
Energy: 3.6004888956145797
Energy: 3.541060271921502
Energy: 3.528481983708674
Energy: 3.5434647768063297
Energy: 3.527160128596907
Energy: 3.525356259682095
Energy: 3.5069627700070027
Energy: 3.52589035405491
Energy: 3.525125766535199
Energy: 3.5234222225555123
Energy: 3.525351134948376
Energy: 4.102549734685834
Energy: 3.6352616787494467
Energy: 3.5234398489221372
Energy: 3.531709491023326
Energy: 3.5363267731095727
Energy: 3.530463313286725
Energy: 4.113684086202451
Energy: 3.635654147610011
Energy: 3.522439535976565
Energy: 3.5268012457375444
Energy: 3.528054516495833
Energy: 3.527707433475012
Energy: 4.119328128344906
Energy: 3.497820135961974
Energy: 3.522795575479249
Energy: 3.5208924958847754
Energy: 3.516709460693165
Energy: 3.5215380959164726
Energy: 3.4968974792257055

minimum gb energy = 3.4968974792257055 eV
minimum distance =  2.08633817314857 Angstroms
sigma value = 67


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

Energy: 1.3061410169335652
Energy: 1.277459433472435
Energy: 1.8568382599176994
Energy: 1.9108784055591677
Energy: 1.861630031370805
Energy: 1.3066837028615252
Energy: 1.2212609854650722
Energy: 1.8647749813281531
Energy: 1.8628079870699257
Energy: 1.8600198342357717
Energy: 1.8593391180336325
Energy: 1.8587010916151523
Energy: 5.415596133243937
Energy: 1.8529793566086252
Energy: 1.8511577667821324
Energy: 1.913416940742393
Energy: 1.8526907269395125
Energy: 1.8534764929539702
Energy: 1.2230545065172467
Energy: 1.8490573713630543
Energy: 1.85048741144247
Energy: 1.8541951124026033
Energy: 1.8485643498223714
Energy: 1.2205792761981986
Energy: 1.2196943834668885
Energy: 1.8471829045670094
Energy: 1.8473216068757508
Energy: 1.853032458712264
Energy: 1.8465979210887187
Energy: 1.2203869880829472
Energy: 5.414868335197726
Energy: 1.8510194440445171
Energy: 1.853601155984382
Energy: 1.9008075646861213
Energy: 1.8527741103954602
Energy: 1.8500431876149457
Energy: 1.2211051953200351
Energy: 1.856795820504342
Energy: 1.8563362909380783
Energy: 1.8517950665686616
Energy: 1.8594159918834368
Energy: 1.8549733821563363

minimum gb energy = 1.2196943834668885 eV
minimum distance =  2.25091623384858 Angstroms
sigma value = 3


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

Energy: 7.414204685749089
Energy: 3.5190586886090207
Energy: 3.461149675891566
Energy: 3.771903333623336
Energy: 3.4616557979613036
Energy: 4.2232689934570855
Energy: 5.011805679622787
Energy: 3.484217769353751
Energy: 3.445804551391433
Energy: 3.4476876402331995
Energy: 3.442930234674359
Energy: 3.4661839507383587
Energy: 4.172357695350941
Energy: 3.4449370113847975
Energy: 3.446897600159154
Energy: 3.4492022348935003
Energy: 3.4463086556621056
Energy: 3.445342967185618
Energy: 5.588104691680772
Energy: 3.452083764465754
Energy: 3.447042837864473
Energy: 3.4481517429033897
Energy: 3.450767414222583
Energy: 3.442831942760334
Energy: 5.588995367184854
Energy: 3.4493286110224637
Energy: 3.442901156163917
Energy: 3.783084594967894
Energy: 3.4487377979473104
Energy: 3.455415553071085
Energy: 4.2187830600695
Energy: 3.445235381616092
Energy: 3.4408772049525864
Energy: 3.791374298059528
Energy: 3.4510921432693964
Energy: 3.4779827143684647
Energy: 5.623879853509491
Energy: 3.4612813276066015
Energy: 3.4689108450877915
Energy: 3.474943418593176
Energy: 3.4723057432129383
Energy: 3.476926999351702
Energy: 4.551733987059198
Energy: 3.468991321817591
Energy: 3.46802450126013
Energy: 3.8281094598420413
Energy: 3.4775116989414028
Energy: 4.279515746185147
Energy: 4.258466909866464
Energy: 3.4481740476630502
Energy: 3.4620883090106833
Energy: 3.8572921149529473
Energy: 3.463845784275945
Energy: 3.4723210102674575
Energy: 4.174168727872345
Energy: 3.4641106783728928
Energy: 3.473901334338688
Energy: 3.4426745669585688
Energy: 3.479063589641199
Energy: 3.4655350329994907
Energy: 4.554840805098205
Energy: 4.272923612872948
Energy: 3.45739756050206
Energy: 3.44680228326683
Energy: 3.464584224937915
Energy: 4.283157851200413
Energy: 4.558103024148007
Energy: 3.471784067258285
Energy: 3.469034144768085
Energy: 3.469629109957635
Energy: 3.4522182560199197
Energy: 3.4649696061769233
Energy: 4.216534381701371
Energy: 3.4709982563772597
Energy: 3.4648874154122504
Energy: 3.4635669233734925
Energy: 3.463887488558712
Energy: 3.4714214358630615
Energy: 4.260034057285872
Energy: 4.311910404574467
Energy: 4.289265018605257
Energy: 3.469692572640052
Energy: 4.2933884074406246
Energy: 4.3060175785065935
Energy: 4.17210427229616
Energy: 4.290477763896839
Energy: 4.3057369251221616
Energy: 4.302509120794084
Energy: 4.303409005321714
Energy: 3.4725182884108996
Energy: 4.265289096098697
Energy: 4.2411836163506385
Energy: 4.285944907392781
Energy: 3.4344632006777744
Energy: 4.295086485141018
Energy: 4.306078731123447
Energy: 4.215800528844693
Energy: 4.290471645955022
Energy: 4.312618131236535
Energy: 4.243637010146146
Energy: 4.310629322122759
Energy: 3.469403729697333
Energy: 3.4457317041561115
Energy: 3.4675712386278406
Energy: 3.4653622467874516
Energy: 4.291588687935893
Energy: 3.466053816467061
Energy: 3.4688278474411094
Energy: 3.445098607941718
Energy: 3.4617473789741458
Energy: 4.262323469383785
Energy: 4.2865260441636375
Energy: 3.467936256844965
Energy: 3.4646541939465667
Energy: 4.179024037876832
Energy: 3.4650106442525783
Energy: 4.272081421748695
Energy: 4.300229638657404
Energy: 3.4584249746302467
Energy: 3.453799842575468
Energy: 3.4700946583971923
Energy: 3.475482408478394
Energy: 3.471967834600268
Energy: 4.263004618863397
Energy: 3.4884419417274577
Energy: 3.4744485435798653
Energy: 3.462586220883822
Energy: 3.4651733890092955
Energy: 3.4497882772701596
Energy: 4.3073591047452435
Energy: 3.474101829087488
Energy: 3.466282486132162
Energy: 3.4494923669322484
Energy: 3.4674723535091996
Energy: 4.198800122910165
Energy: 4.291108927686198
Energy: 3.473609795607297
Energy: 3.4674041370685242
Energy: 3.7710534342507325
Energy: 3.469571060685392
Energy: 3.482713960793677
Energy: 3.4827760001906842
Energy: 3.4476337964375574
Energy: 3.471424114016105
Energy: 3.502473992102219
Energy: 3.4414596425862167
Energy: 3.4457061916279366
Energy: 3.461370654387677
Energy: 3.4469457604712965
Energy: 3.440858677943012
Energy: 3.7746821965532447
Energy: 3.4504709612414795
Energy: 3.4467011950756237
Energy: 3.444068828997161
Energy: 3.4514854140001168
Energy: 3.4445961345777776
Energy: 3.4439189144713565
Energy: 3.4440378502885203
Energy: 3.4643746474378223
Energy: 3.446326281823128
Energy: 3.4502357867610858
Energy: 3.445084009831276
Energy: 3.44238293212823
Energy: 3.4438665252251255
Energy: 3.4443887252454317
Energy: 3.471594712411598
Energy: 3.445262281380699
Energy: 3.443834401498394
Energy: 3.4412580326842597
Energy: 3.443851599399743
Energy: 3.468673133704609
Energy: 3.47288144706314
Energy: 3.446959935084161
Energy: 3.444004562635365
Energy: 3.489916421672093
Energy: 3.460833867622165
Energy: 3.4508045308130813
Energy: 4.286912915004163
Energy: 3.4657763290374533
Energy: 3.4791248069288088
Energy: 3.7889408802162747
Energy: 3.4436553960749756
Energy: 3.4508564602162255
Energy: 3.4667131327056655
Energy: 3.4524383691137346
Energy: 3.4426586678938293
Energy: 3.7761093060134523
Energy: 3.452224801978918
Energy: 3.4625401524471435
Energy: 4.280554919482978
Energy: 3.448951196000346
Energy: 3.4452094538392926
Energy: 3.450426136654666
Energy: 3.4664462317513065
Energy: 3.4646047980586934
Energy: 4.270318389514336
Energy: 3.4633839519815246
Energy: 3.4665509157630385
Energy: 3.483012165091207
Energy: 3.472416319119399
Energy: 3.460334627304461
Energy: 3.453940726164103
Energy: 3.4662597885887485
Energy: 3.4736619150268346
Energy: 3.47541312878032
Energy: 3.4740286120137833
Energy: 3.4479421406849484
Energy: 4.260020370462141
Energy: 3.4782067871259423
Energy: 3.478087229652437
Energy: 3.7793106718239047
Energy: 3.4732189610975763
Energy: 3.470504019714124
Energy: 3.461234229085296
Energy: 3.4636609830124785
Energy: 3.4652757789729907
Energy: 4.177785012157047
Energy: 3.4477920014163796
Energy: 4.286031804381345
Energy: 3.4387650660001565
Energy: 4.275903042491284
Energy: 3.472451649394599
Energy: 5.012744952931631
Energy: 3.461973709983524
Energy: 3.459919769910511
Energy: 4.27885752013863
Energy: 3.4663414447379637
Energy: 3.463385428085746
Energy: 4.1821688464610185
Energy: 4.263692148684207
Energy: 4.294284490545784
Energy: 4.310823765193305
Energy: 4.275442248600007
Energy: 3.4596250555153354
Energy: 4.181614325598425
Energy: 4.311989668256876
Energy: 4.294513291884635
Energy: 3.4460316232841706
Energy: 4.295872776472283
Energy: 4.311115314209129
Energy: 4.106322942718133
Energy: 4.307836780220016
Energy: 4.306060112528206
Energy: 4.240413988071397
Energy: 4.314534764182848
Energy: 4.293159978891903
Energy: 4.105381686900568
Energy: 4.302745494434447
Energy: 4.308537992730594
Energy: 3.4594701721281367
Energy: 4.315273497168117
Energy: 4.29038985853023
Energy: 4.173052793238232
Energy: 4.266604325790437
Energy: 3.4710330854185765
Energy: 3.4629676643742067
Energy: 3.461137831274535
Energy: 4.300876265455203
Energy: 5.619142494256049
Energy: 3.4644279022161615
Energy: 3.4570799083381787
Energy: 3.4557281423339026
Energy: 3.4575539727805578
Energy: 3.4703712007035423
Energy: 6.182060328146763
Energy: 4.282369016891778
Energy: 3.4735901346835205
Energy: 3.4446235984772637
Energy: 3.459805714955161
Energy: 4.307180943323957
Energy: 4.256323664181545
Energy: 3.4619883844333885
Energy: 3.4756477021098826
Energy: 3.486185835588659
Energy: 3.4769346325187316
Energy: 3.4664515180072195
Energy: 4.173038342477807
Energy: 3.48346005829506
Energy: 3.4633719006788715
Energy: 3.8584621433297173
Energy: 3.467601325623833
Energy: 3.4747640393744783
Energy: 5.002560190130099
Energy: 3.4493563337499604
Energy: 3.477070305401198
Energy: 3.454026464745016
Energy: 3.448739959265975
Energy: 3.477769629753858
Energy: 5.004529736508335
Energy: 3.465999066801839
Energy: 3.4647922383731835
Energy: 3.4428096660920535
Energy: 3.4831858027548823
Energy: 3.470848275523389
Energy: 4.172639897866579
Energy: 3.444864519133233
Energy: 3.4516274372495013
Energy: 3.785862296145635
Energy: 3.4493327807661656
Energy: 3.4671995240421034
Energy: 5.028395771047884
Energy: 3.466209299665007
Energy: 3.4402986070216888
Energy: 3.790970108075624
Energy: 3.4448543938418443
Energy: 3.458528763556071

minimum gb energy = 3.4344632006777744 eV
minimum distance =  2.14513267517286 Angstroms
sigma value = 81


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

Energy: 4.37440656902885
Energy: 3.7690725806113186
Energy: 3.8094710263196805
Energy: 3.7961287551857774
Energy: 3.8094586630695737
Energy: 3.753900116801142
Energy: 5.321839830594725
Energy: 3.795626348759904
Energy: 3.7897635631014976
Energy: 3.7903744520304583
Energy: 3.7916266677297568
Energy: 3.794562093458363
Energy: 4.372963747817894
Energy: 3.792281260090771
Energy: 3.793566902327879
Energy: 3.7950247069345404
Energy: 3.7936490528361437
Energy: 3.790776677025211
Energy: 5.214589650015507
Energy: 3.79658057409967
Energy: 3.7959163546827894
Energy: 3.794949516218615
Energy: 3.797232254167309
Energy: 3.7558266873439985
Energy: 5.219094406600181
Energy: 3.79506740621225
Energy: 3.794325075543467
Energy: 3.7800734656841577
Energy: 3.7982857716490956
Energy: 3.752122828334468
Energy: 4.375751039205111
Energy: 3.7897170348890117
Energy: 3.789403876375584
Energy: 3.7823359944210035
Energy: 3.7916537699060946
Energy: 3.7908433199283724
Energy: 5.526468441392118
Energy: 3.8037017098978256
Energy: 3.7901266881086757
Energy: 3.793510106615982
Energy: 3.792700733950902
Energy: 3.8070418760770446
Energy: 4.211613381568501
Energy: 3.790942747228657
Energy: 3.7788581484572528
Energy: 3.802290856324329
Energy: 3.794422237637776
Energy: 3.773284872238165
Energy: 4.339876812778543
Energy: 3.7950162878784206
Energy: 3.7970887430525186
Energy: 4.022073342181279
Energy: 3.8101432191361506
Energy: 3.804793301035444
Energy: 4.4085070156995005
Energy: 3.805183235538583
Energy: 3.7925168503721127
Energy: 3.7926445128316857
Energy: 3.8031728979300734
Energy: 4.667887336095935
Energy: 4.052507622412509
Energy: 3.799674206262508
Energy: 4.717397224129388
Energy: 3.742074503818111
Energy: 4.7530635477129195
Energy: 3.76245343093657
Energy: 4.405341400450153
Energy: 3.8029953975112805
Energy: 4.71687890126437
Energy: 3.7575437968605327
Energy: 3.8032748691880687
Energy: 3.7577952902247445
Energy: 4.375178509949571
Energy: 3.7623354224661076
Energy: 3.793744543466861
Energy: 3.794735259792497
Energy: 4.716804103522673
Energy: 3.7609818761857547
Energy: 4.371444361453342
Energy: 3.759428980620192
Energy: 3.802879319470791
Energy: 4.386893610479498
Energy: 3.7982231709181855
Energy: 3.7913943034639837
Energy: 4.338016078247993
Energy: 3.7929162362500946
Energy: 3.79873967724504
Energy: 4.398050123758037
Energy: 3.743382277690282
Energy: 3.798322886167227
Energy: 4.058507877523051
Energy: 3.7988425385816464
Energy: 3.79612005396502
Energy: 3.751141872398235
Energy: 3.7984007294137703
Energy: 4.607750570318307
Energy: 4.036373278427416
Energy: 3.7997503452465895
Energy: 3.7996542109760942
Energy: 3.7691523043009654
Energy: 3.7590515967939546
Energy: 3.799192779905731
Energy: 4.027427979856457
Energy: 3.7487635257209706
Energy: 3.740330232623523
Energy: 3.7472403362878715
Energy: 3.7491162366203548
Energy: 3.7459126231847235
Energy: 4.028002920849032
Energy: 3.762458895438148
Energy: 3.740002881232244
Energy: 3.729746593421765
Energy: 3.7384003867459112
Energy: 3.764136567929722
Energy: 4.046333328013151
Energy: 3.7622762678478168
Energy: 3.7408288644826193
Energy: 3.7800433882739455
Energy: 3.739079636023103
Energy: 3.7410084097611596
Energy: 4.054865081610839
Energy: 3.7403962527577383
Energy: 3.757579655066385
Energy: 3.7499277498157477
Energy: 3.744275133643822
Energy: 3.740532870994834
Energy: 4.032592593166403
Energy: 3.743511359830541
Energy: 3.74313820180429
Energy: 3.799780340497321
Energy: 3.74250491908562
Energy: 3.743512351342058
Energy: 4.067421451061606
Energy: 3.760660014584392
Energy: 3.752799520088736
Energy: 3.7501278929385293
Energy: 3.760546935071427
Energy: 3.7623989472586077
Energy: 4.349813364045735
Energy: 3.754047124664406
Energy: 3.7976056375386578
Energy: 3.803727342234835
Energy: 3.7507006200060196
Energy: 3.755609968450704
Energy: 4.398251997435905
Energy: 3.745272675951525
Energy: 3.7527014565147767
Energy: 4.7583669540656715
Energy: 3.746813773248947
Energy: 3.7466646137896715
Energy: 4.377130841170967
Energy: 3.74104187108795
Energy: 3.7412220456221137
Energy: 3.752001416463645
Energy: 3.740350323819106
Energy: 3.74308769453869
Energy: 4.413885486765194
Energy: 3.741862969787545
Energy: 3.7405696185506208
Energy: 3.752087350145744
Energy: 3.741302064102971
Energy: 3.742243275235949
Energy: 4.071122816058792
Energy: 3.7411249077516513
Energy: 3.7406336147869754
Energy: 4.146518547045703
Energy: 3.7403815991416933
Energy: 3.741232037150358
Energy: 4.409635623957323
Energy: 3.740214456062205
Energy: 4.747711454066466
Energy: 3.790268347062625
Energy: 3.741612652412537
Energy: 3.7410068774777936
Energy: 4.343277396945642
Energy: 3.791552125596929
Energy: 3.810754614463645
Energy: 4.093929638726161
Energy: 3.809831187892804
Energy: 4.7468468564516115
Energy: 4.011429762151049
Energy: 3.7399339732514827
Energy: 3.7453007098091877
Energy: 3.7572879240570742
Energy: 3.740029130947179
Energy: 3.759409631554657
Energy: 4.339353709284671
Energy: 3.7414156778343552
Energy: 3.796731141234426
Energy: 3.8051162169090795
Energy: 3.8055551676944126
Energy: 3.745041029479751
Energy: 4.37715563614812
Energy: 3.808957044480878
Energy: 3.790847716006131
Energy: 3.7846372595137647
Energy: 3.8124466678012228
Energy: 3.8023750803381913
Energy: 4.073702543659506
Energy: 3.79166765046908
Energy: 3.811875003186667
Energy: 3.8012396839451976
Energy: 3.8168669603705645
Energy: 3.7723035554255917
Energy: 4.004854671928247
Energy: 3.8041122554577185
Energy: 3.7903118243957348
Energy: 3.830161179211371
Energy: 3.7924520060356017
Energy: 4.73893069394669
Energy: 4.407706109289188
Energy: 3.795684247005318
Energy: 3.796476268683206
Energy: 3.782132313981463
Energy: 3.801990165522478
Energy: 3.795039877948775
Energy: 4.339831348611351
Energy: 3.792519461479522
Energy: 3.789698737818271
Energy: 3.7820045063112087
Energy: 3.7935744032730145
Energy: 3.798646904791207
Energy: 4.193755978667955
Energy: 3.8011662917899254
Energy: 3.8184196498525407
Energy: 3.787807044179738
Energy: 3.7942602998688453
Energy: 4.728993841141228

minimum gb energy = 3.729746593421765 eV
minimum distance =  2.14746630564693 Angstroms
sigma value = 43


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

Energy: 6.280413514978881
Energy: 3.9504533280752847
Energy: 4.014811310678365
Energy: 4.008863485294738
Energy: 4.012356884645512
Energy: 4.628340530789951
Energy: 4.352390980022012
Energy: 4.008215447026507
Energy: 4.006974402664696
Energy: 4.005759156346297
Energy: 4.008764086243297
Energy: 4.010427715798228
Energy: 4.7963258363094035
Energy: 4.008271430118114
Energy: 4.011019289150313
Energy: 4.012394066085452
Energy: 4.012390595908898
Energy: 4.007851642867866
Energy: 4.30783642440978
Energy: 4.010455024712404
Energy: 4.011810341251105
Energy: 4.012285874536642
Energy: 4.012101392589063
Energy: 3.9388644270629465
Energy: 4.308527401053467
Energy: 4.009670369388602
Energy: 4.010787252817053
Energy: 3.9970804382301828
Energy: 4.0146607191118004
Energy: 3.9410504181629995
Energy: 4.797006358741929
Energy: 4.0071156197778945
Energy: 4.00719830867043
Energy: 4.305337295926065
Energy: 4.009184893090737
Energy: 4.009416314444894
Energy: 4.81705551342108
Energy: 4.011748610363987
Energy: 4.01108141941583
Energy: 4.006866335354276
Energy: 4.009957958359019
Energy: 4.631789458202737
Energy: 4.292262326401396
Energy: 4.009872985137137
Energy: 3.988612065733359
Energy: 3.929884277661263
Energy: 4.009576522024586
Energy: 4.936159210033244
Energy: 4.815609155749805
Energy: 4.009270354385
Energy: 4.008968013093002
Energy: 3.9450820343270947
Energy: 4.0098289014470145
Energy: 4.700190766652459
Energy: 4.7931566887256
Energy: 4.926994470342409
Energy: 4.010342491602879
Energy: 3.9314961090878455
Energy: 4.009334217878166
Energy: 3.932087698316832
Energy: 4.737432292596566
Energy: 3.9703625818125365
Energy: 5.04682465299409
Energy: 3.9663963915845364
Energy: 3.9791938192443346
Energy: 3.973997984693129
Energy: 4.803631258515866
Energy: 3.927807438618773
Energy: 4.92613127905625
Energy: 3.9450273925240067
Energy: 3.9779655294554876
Energy: 3.970629513510927
Energy: 4.333198164175784
Energy: 3.92717895611937
Energy: 3.9375817578752166
Energy: 3.9384719932594163
Energy: 4.9231660141013975
Energy: 3.9270821452550475
Energy: 4.287040265028981
Energy: 3.9235009435995525
Energy: 3.926934985227166
Energy: 4.305927931739276
Energy: 3.9240183500977524
Energy: 3.9252235909106177
Energy: 4.283729584518748
Energy: 3.9344988562533922
Energy: 3.924511639291264
Energy: 3.942446146709029
Energy: 3.9323750602745626
Energy: 3.9308074085296587
Energy: 4.271565472876792
Energy: 3.9303541404461773
Energy: 3.9238521749860187
Energy: 3.9439404271224627
Energy: 3.940510379055976
Energy: 4.274882809190541
Energy: 4.321082496809501
Energy: 3.9337404734446264
Energy: 3.9252952300234156
Energy: 3.969058124735851
Energy: 3.9237793029098937
Energy: 3.9340566523804696
Energy: 4.315834376622361
Energy: 3.9260613772540696
Energy: 3.928018448485855
Energy: 4.2654097854336035
Energy: 3.9326158063808467
Energy: 3.92447332894211
Energy: 4.299685826893102
Energy: 3.9316649165872435
Energy: 3.9294205701149956
Energy: 3.930513257409932
Energy: 3.928249793031028
Energy: 3.932359368438364
Energy: 4.80811537563741
Energy: 3.9286438655514786
Energy: 3.9268525489023194
Energy: 3.9328524170766803
Energy: 3.9268508351161135
Energy: 3.928920546559254
Energy: 4.743624121200593
Energy: 3.9257598757405177
Energy: 3.925936116081431
Energy: 3.940767258451387
Energy: 3.9337659598286647
Energy: 3.9282684185669394
Energy: 4.801862709762751
Energy: 3.925357070106399
Energy: 3.924392292880243
Energy: 3.9389811297269945
Energy: 3.9236927769217305
Energy: 3.926020599490651
Energy: 4.81265563858605
Energy: 3.924728006929655
Energy: 3.9590924641630734
Energy: 3.9483040880635047
Energy: 3.958663110505132
Energy: 3.9283399345720533
Energy: 4.346775723613638
Energy: 3.924343958970443
Energy: 3.9258257011545474
Energy: 3.924767584151761
Energy: 3.9242869693112095
Energy: 3.9249665931847626
Energy: 4.815582370729415
Energy: 3.924173488945216
Energy: 4.013572515281662
Energy: 3.9902331415843366
Energy: 3.9247049791183373
Energy: 3.9249027257891975
Energy: 4.802234968673606
Energy: 4.013399114122753
Energy: 4.0136880721606465
Energy: 4.004102421517087
Energy: 4.012836707732737
Energy: 3.926302497051551
Energy: 4.300622804727751
Energy: 4.010761204811476
Energy: 4.009647307472656
Energy: 4.011241320856126
Energy: 4.012879533200763
Energy: 4.953952600859416
Energy: 4.314096805492592
Energy: 5.047795019790012
Energy: 4.0116020402332655
Energy: 4.029969693309004
Energy: 4.014443673541753
Energy: 3.9379854912102874
Energy: 4.7987154602786575
Energy: 4.012871372794535
Energy: 4.0136868802478025
Energy: 3.9978863984710737
Energy: 4.0215758852637205
Energy: 4.013356384735739
Energy: 4.815519585926192
Energy: 4.007253321587977
Energy: 4.008594808918431
Energy: 3.9989005317649693
Energy: 4.008115926078968
Energy: 4.01166247951721
Energy: 4.297361783122036
Energy: 4.014180233056649
Energy: 4.013568535977821
Energy: 4.001535720350486
Energy: 4.0137319411782615
Energy: 3.9622681675501643

minimum gb energy = 3.9235009435995525 eV
minimum distance =  2.15059621630443 Angstroms
sigma value = 57


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

Energy: 6.41928517302963
Energy: 4.128657184272319
Energy: 4.1529077467767905
Energy: 4.156640133315858
Energy: 4.1465950567845296
Energy: 4.128640169899386
Energy: 4.115041912510238
Energy: 4.154755697562681
Energy: 4.150506843127587
Energy: 4.14620469790618
Energy: 4.1506043644771
Energy: 4.940660153339833
Energy: 4.1396000361379865
Energy: 4.141617609654007
Energy: 4.139886634367835
Energy: 4.1400784856739765
Energy: 4.141911674711972
Energy: 5.459411353898307
Energy: 4.112724236841904
Energy: 4.142613703058602
Energy: 4.141820881154598
Energy: 4.1442178974430695
Energy: 4.140015353741308
Energy: 4.1112757701033775
Energy: 4.112279395736013
Energy: 4.144429780191835
Energy: 4.1416441991298205
Energy: 4.158439692436624
Energy: 4.1527718921012395
Energy: 4.11063610958283
Energy: 4.1452753887397655
Energy: 4.1493700469363
Energy: 4.149696651099928
Energy: 4.148837347674026
Energy: 4.151600189856926
Energy: 4.616675327391463
Energy: 4.14380904900189
Energy: 4.938036815324772
Energy: 4.142046175269907
Energy: 4.151533368620046
Energy: 4.145385937297033
Energy: 4.944598903494925
Energy: 5.246504342056455
Energy: 4.941257347623762
Energy: 4.6204389877066765
Energy: 4.148545989190127
Energy: 4.947387133549074
Energy: 4.147573988557385
Energy: 4.140410338748823
Energy: 4.940941843575135
Energy: 4.122300201404976
Energy: 4.122461928730502
Energy: 4.939853541815787
Energy: 4.956570445374788
Energy: 4.153461120771362
Energy: 4.1497860669248805
Energy: 4.9364809012799205
Energy: 4.121785919369613
Energy: 4.62134435754423
Energy: 4.146148950375473
Energy: 4.154185514617054
Energy: 4.149600446127249
Energy: 4.146918648597248
Energy: 4.151487389861186
Energy: 4.148652927563441
Energy: 4.150361191852951
Energy: 4.160222361020331
Energy: 4.142838637163886
Energy: 4.15180602209112
Energy: 4.12422861691883
Energy: 4.144849101825248
Energy: 4.142975797567229
Energy: 4.145829849136265
Energy: 4.139350232349941
Energy: 4.122392724489812
Energy: 4.1249394423826775
Energy: 4.1430028303457895
Energy: 4.145512527914409
Energy: 4.132303058169185
Energy: 4.139656710825622
Energy: 4.14627553728545
Energy: 4.142521614440484
Energy: 4.14161642385742
Energy: 4.139902825059732
Energy: 4.140923818826387
Energy: 4.151691763476625
Energy: 4.144564313331678
Energy: 4.146618244664808
Energy: 4.156964517328688
Energy: 4.151305642196098
Energy: 4.150513547560104
Energy: 4.139985713756991
Energy: 4.109187953425452
Energy: 4.111158122696164
Energy: 4.142024578756274
Energy: 4.147734748955343
Energy: 4.155065452372713
Energy: 4.1500972067677475
Energy: 4.154199246155532
Energy: 4.150984152998316
Energy: 4.155798420459722
Energy: 4.149251047485247
Energy: 4.159197539089294
Energy: 4.14823801563791
Energy: 4.622615598734162
Energy: 4.145906542378063
Energy: 4.145690272477967
Energy: 4.147302922698623
Energy: 4.148586741002322
Energy: 4.140322345209209
Energy: 4.143703355858814
Energy: 4.143646700243701
Energy: 4.616508414433748
Energy: 4.146515361595342
Energy: 4.1462418170620765
Energy: 4.938299152064189
Energy: 4.1435153179741695
Energy: 4.148207878934351
Energy: 4.9421645172866855
Energy: 4.945996669950746
Energy: 4.126251848393255
Energy: 4.143079264645813
Energy: 4.958814712541776
Energy: 4.146344917234548
Energy: 4.621777360124019
Energy: 4.120892195036342
Energy: 4.142630909072218
Energy: 4.618757244239738
Energy: 4.141066983041685
Energy: 4.15590613600741
Energy: 4.157063098570594
Energy: 4.947057445889387
Energy: 4.139217479622114
Energy: 4.15043747529287
Energy: 4.147122845229305
Energy: 4.143167596017062
Energy: 4.14291071457789
Energy: 5.4734722035216725
Energy: 4.119091782787547
Energy: 4.14390131346225
Energy: 4.140832179722747
Energy: 4.159049171347567
Energy: 4.145405996157108
Energy: 4.123442964205472

minimum gb energy = 4.109187953425452 eV
minimum distance =  2.15834510928241 Angstroms
sigma value = 17


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

Energy: 8.61960911234182
Energy: 5.989859870551344
Energy: 4.216830252154888
Energy: 4.200950537030359
Energy: 4.219827670439209
Energy: 6.049702661400037
Energy: 4.158816135057253
Energy: 4.696626361886724
Energy: 4.202360090922329
Energy: 4.220565976597086
Energy: 4.199831304992484
Energy: 4.196842594918371
Energy: 4.210817959595661
Energy: 4.2053577363682635
Energy: 4.209696402374857
Energy: 4.21595696022737
Energy: 4.2106143729058285
Energy: 4.198596164080682
Energy: 4.226397724580427
Energy: 4.657619281647305
Energy: 4.197812509661218
Energy: 4.214136686941303
Energy: 4.195553098860353
Energy: 4.652494806388122
Energy: 4.160792395687879
Energy: 4.6587186218090055
Energy: 4.19917061530515
Energy: 4.2066113878835605
Energy: 4.207598599354562
Energy: 4.677493499404996
Energy: 4.206513646211022
Energy: 4.7022057099007
Energy: 4.196843552772535
Energy: 4.161123268285932
Energy: 4.2032237611520955
Energy: 4.21649544594458
Energy: 4.207347622741094
Energy: 4.198203426917214
Energy: 4.197074679128877
Energy: 4.2001884927617885
Energy: 4.200439425395074
Energy: 4.193649238503437
Energy: 4.220190207810015
Energy: 4.198721225073989
Energy: 4.20554304450806
Energy: 4.202620137343826
Energy: 4.200053592374777
Energy: 4.195417426405676
Energy: 4.200458364826159
Energy: 4.197701773519932
Energy: 4.16407100014365
Energy: 4.1609348830191015
Energy: 4.651060283775861
Energy: 4.222591705171202
Energy: 4.2058101870174
Energy: 4.201114998349244
Energy: 4.699278873620743
Energy: 4.160188515789223
Energy: 4.655101221389962
Energy: 4.198650370452617
Energy: 4.20469443109106
Energy: 4.192923251290826
Energy: 4.202357386790704
Energy: 4.220984921319148
Energy: 4.210132832672998
Energy: 4.194892949848655
Energy: 4.19942902030176
Energy: 4.201724561367283
Energy: 4.664472673822624
Energy: 4.1606525855381085
Energy: 4.65569430069342
Energy: 4.197581025326712
Energy: 4.199873618561818
Energy: 4.198510401096942
Energy: 4.653221839910847
Energy: 4.230198256631146
Energy: 4.649213513722354
Energy: 5.28212475899796
Energy: 4.160912178435521
Energy: 4.200027959114561
Energy: 4.195010312932703
Energy: 4.207386098195203
Energy: 4.197306919358747
Energy: 4.159323787036284
Energy: 4.20747998898327
Energy: 4.198170310157672
Energy: 4.1960386341039335
Energy: 4.201197637074537
Energy: 4.199115046699228
Energy: 4.19493345596937
Energy: 4.223276477132319
Energy: 4.700261228086074
Energy: 4.202333773217266
Energy: 4.207251283934328
Energy: 4.199753574710911
Energy: 4.226519520149372
Energy: 4.1645251028113295
Energy: 4.654000390956358
Energy: 4.195829726221476
Energy: 4.201638752764257
Energy: 4.1986767748203935
Energy: 4.1606516744652975

minimum gb energy = 4.158816135057253 eV
minimum distance =  2.15581885529849 Angstroms
sigma value = 17


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

Energy: 4.5861178070909485
Energy: 4.134904007884576
Energy: 4.31646453442798
Energy: 4.325816109409937
Energy: 4.322844650393503
Energy: 4.099797490174103
Energy: 4.536054421368983
Energy: 4.325188092358909
Energy: 4.316154894401106
Energy: 4.328026522580637
Energy: 4.314639525417615
Energy: 4.3986234372719215
Energy: 4.327659510733839
Energy: 4.485806712401317
Energy: 4.320464905250737
Energy: 4.329392094837456
Energy: 4.321172698119217
Energy: 4.094137477796867
Energy: 5.034544509632003
Energy: 4.323482760360334
Energy: 4.318914809658482
Energy: 4.331941268779468
Energy: 4.3124507319500545
Energy: 4.319083118878208
Energy: 5.051425987190412
Energy: 4.324392292582486
Energy: 4.323571943158279
Energy: 4.095942314101935
Energy: 4.474994286421876
Energy: 4.310671879841746
Energy: 4.32549133980514
Energy: 4.322447190833993
Energy: 4.097164841118768
Energy: 4.101614169512649
Energy: 4.510307606500131
Energy: 4.3221216030995855
Energy: 4.3211632223838965
Energy: 4.31992207270903
Energy: 4.315088944495042
Energy: 5.077482330481368
Energy: 4.480199756886874
Energy: 4.317651723910155
Energy: 4.3112799274403155
Energy: 4.308175888929287
Energy: 4.309269360511121
Energy: 4.3263818716343465
Energy: 4.308196805260752
Energy: 4.3085199352531145
Energy: 4.321674126007558
Energy: 4.309247287527798
Energy: 4.692346924801572
Energy: 4.083348281132083
Energy: 4.309761964210969
Energy: 4.311678090984864
Energy: 5.27541818368588
Energy: 4.318876174487036
Energy: 4.32230292141898
Energy: 5.261132903365614
Energy: 4.320360689959868
Energy: 4.318830776409663
Energy: 5.179176046634646
Energy: 4.309458536243403
Energy: 4.095265232723875
Energy: 4.10447268046176
Energy: 4.312963626892
Energy: 4.311561761386143
Energy: 5.271172358626513
Energy: 4.307608455367808
Energy: 4.096856875201638
Energy: 4.095240508145815
Energy: 4.097492358799326
Energy: 4.3130336149402515
Energy: 4.566611722500603
Energy: 4.093525781678939
Energy: 4.093121930728572
Energy: 4.099388482685561
Energy: 4.092786365433077
Energy: 4.319580739329935
Energy: 7.286036581269978
Energy: 4.099429923897481
Energy: 4.097236689820296
Energy: 4.100210812745393
Energy: 4.100582393866779
Energy: 4.534957841258434
Energy: 5.988122259769504
Energy: 4.095751862317422
Energy: 4.09827582109824
Energy: 4.107721682520586
Energy: 4.097635318086472
Energy: 5.41585135658192
Energy: 4.594349880456775
Energy: 4.097340945355172
Energy: 4.0924748900716565
Energy: 4.098154529355169
Energy: 4.092591271317313
Energy: 4.126273823301114
Energy: 4.3140641412154475
Energy: 4.326528957845613
Energy: 4.095627578126792
Energy: 4.104666536486081
Energy: 4.095246048198701
Energy: 4.3109851018272085
Energy: 4.314730528509695
Energy: 4.322136433230452
Energy: 4.094827956314416
Energy: 5.077795019125381
Energy: 4.095161021858335
Energy: 4.311005842284298
Energy: 4.350329329766376
Energy: 4.092766246423624
Energy: 4.095320338655912
Energy: 4.085214747661871
Energy: 4.0963826768038185
Energy: 4.318617105574555
Energy: 5.260896365997524
Energy: 4.319019294292556
Energy: 4.095066049640191
Energy: 5.078723703418615
Energy: 4.094793839186475
Energy: 4.318670686998729
Energy: 5.186854406688397
Energy: 4.308082750537159
Energy: 4.476141346127385
Energy: 4.310678946393285
Energy: 4.309920183450605
Energy: 4.308336712240713
Energy: 4.330957469205245
Energy: 4.323495934767814
Energy: 4.087276856541049
Energy: 6.16110280264109
Energy: 4.322850986170163
Energy: 4.309468533532297
Energy: 4.321040189163891
Energy: 4.317645226327403
Energy: 4.319006471642117
Energy: 5.283542092693179
Energy: 4.320836573679363
Energy: 4.3191634558608945
Energy: 4.306555797027158
Energy: 4.306891989009437
Energy: 4.469621285672462
Energy: 4.323588711553662
Energy: 4.310899813009942
Energy: 4.306767771437489
Energy: 4.31843616085594
Energy: 4.325564956039051
Energy: 4.311378023237179
Energy: 4.096154881638847
Energy: 4.475813916763477
Energy: 4.312446693103955
Energy: 4.310653429360298
Energy: 4.506743063922504
Energy: 4.321282103785675
Energy: 4.090294930071983
Energy: 4.481132695975727
Energy: 4.320731013875162
Energy: 4.095121953761788
Energy: 4.4798541455558265
Energy: 4.515075677566334
Energy: 4.324182829362917
Energy: 4.5137849124201805
Energy: 4.1016672893121635
Energy: 4.096072056770516
Energy: 4.476345295866936
Energy: 4.326240227688717
Energy: 4.313034241390461
Energy: 4.307826187261935
Energy: 4.312483931358672
Energy: 4.319828689312348
Energy: 4.311096415232516
Energy: 4.306470076179545
Energy: 4.309998433135573
Energy: 4.30659945900847
Energy: 4.096380388705205
Energy: 4.304453989946882
Energy: 4.320863871174903
Energy: 4.321475767158535
Energy: 4.326284591480404
Energy: 4.319228179866617
Energy: 4.72179901855167
Energy: 4.310937286427926
Energy: 4.321035804918203
Energy: 4.322044619683198
Energy: 5.2683658158265345
Energy: 4.321855834238457
Energy: 4.693271669252881
Energy: 4.338592861668903
Energy: 4.307666666950891
Energy: 4.308247491029186
Energy: 4.310285873621114
Energy: 4.306575225669943
Energy: 4.094665213636766
Energy: 5.0786910505819245
Energy: 4.094871377891464
Energy: 4.318584530640366
Energy: 4.318158369488335
Energy: 4.319375848010147
Energy: 4.09401601582181
Energy: 6.560065831082244
Energy: 4.094598030894324
Energy: 4.330495219841252
Energy: 4.598533799664502
Energy: 4.09696592162556
Energy: 4.094923638894653
Energy: 5.080039665284367
Energy: 4.095451092647861
Energy: 4.540518756205888
Energy: 4.842025757439177
Energy: 4.094454133323612
Energy: 4.096426929516992
Energy: 4.101854631268593
Energy: 4.095188202023446
Energy: 4.709323675226209
Energy: 4.091631489673296
Energy: 4.09535280038065
Energy: 4.0952839236043115
Energy: 4.092007517112831
Energy: 4.091872912854269
Energy: 4.095048407720921
Energy: 4.5758382310162915
Energy: 4.0941914149453424
Energy: 4.092260729192969
Energy: 4.11027699745679
Energy: 4.100192771241715
Energy: 4.707204233122438
Energy: 4.320353323953735
Energy: 4.099176363964305
Energy: 4.101567732515169
Energy: 4.100636677511289
Energy: 4.101025078681778
Energy: 4.317893952369518
Energy: 4.093014184568064
Energy: 4.098563311866791
Energy: 4.09836057145162
Energy: 6.004892948401338
Energy: 4.096672967382035
Energy: 4.094322214428738
Energy: 4.56612735224834
Energy: 4.093797213331392
Energy: 4.096820275641842
Energy: 5.050996144165925
Energy: 4.095770785070824
Energy: 4.3115341972157
Energy: 5.274583045075486
Energy: 4.322640456567251
Energy: 4.105893708495267
Energy: 4.103111943444648
Energy: 4.3248869688126055
Energy: 4.3089940530802
Energy: 4.312986309377322
Energy: 4.309676080759139
Energy: 4.095715733340127
Energy: 5.278457063929227
Energy: 4.318965978125972
Energy: 4.318780323641414
Energy: 5.293544232363072
Energy: 4.3184791373797475
Energy: 4.095289538913672

minimum gb energy = 4.083348281132083 eV
minimum distance =  2.15852465514927 Angstroms
sigma value = 57


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

Energy: 7.30415628318893
Energy: 3.9193952299521566
Energy: 4.268498082784822
Energy: 4.263314602906122
Energy: 4.252958023473176
Energy: 3.920450472488997
Energy: 4.577646739025358
Energy: 4.248342545080754
Energy: 4.247299276347705
Energy: 4.2559706642078865
Energy: 4.2463434616142495
Energy: 4.225801779854852
Energy: 4.291199897478195
Energy: 4.223400643787837
Energy: 4.247014704501469
Energy: 4.25515388168103
Energy: 4.246411359067082
Energy: 4.2544415126867605
Energy: 5.716246858955269
Energy: 4.224330679917044
Energy: 4.256369529199612
Energy: 4.264622514215773
Energy: 4.249362019838536
Energy: 4.257547867720005
Energy: 5.7994136113882035
Energy: 4.2236057969707765
Energy: 4.222468142346139
Energy: 3.9212806953701613
Energy: 4.223499956700937
Energy: 4.24784085041678
Energy: 4.2779553740992124
Energy: 4.257389280949318
Energy: 3.9083310497228965
Energy: 3.921684576398165
Energy: 4.229903381039291
Energy: 4.263136983451908
Energy: 4.265114316384151
Energy: 4.254054271008832
Energy: 4.22201653809856
Energy: 4.273982039822044
Energy: 4.231589503108709
Energy: 4.2545083143278255
Energy: 4.244766012628222
Energy: 4.243619306452475
Energy: 4.245460113507336
Energy: 4.257739681355221
Energy: 4.245368855680051
Energy: 4.242985244091266
Energy: 4.257609945086451
Energy: 4.251346103588039
Energy: 4.220422662936353
Energy: 4.246020960698271
Energy: 4.249266113577912
Energy: 4.250629932423588
Energy: 4.262596653296007
Energy: 4.253455873990708
Energy: 4.9590645578180705
Energy: 4.248361496422221
Energy: 4.251754357778683
Energy: 4.254197307890697
Energy: 4.5751755648382915
Energy: 4.245135732546843
Energy: 4.2534205188273475
Energy: 4.288355568919418
Energy: 4.245986604433354
Energy: 4.24558390825755
Energy: 4.275827786704893
Energy: 4.246458004866508
Energy: 4.2492138144855165
Energy: 4.249402010423773
Energy: 4.249165723897223
Energy: 4.247915339689355
Energy: 4.2810403741354275
Energy: 4.247041860970427
Energy: 4.246963898799553
Energy: 4.253981338597175
Energy: 4.246541917756489
Energy: 4.2671205557861
Energy: 6.5893358615125015
Energy: 4.249427181372952
Energy: 4.278009746041528
Energy: 4.297791635376066
Energy: 4.248464889355416
Energy: 4.58361457572606
Energy: 4.572901682261327
Energy: 4.249675413505208
Energy: 4.250316745504639
Energy: 4.248732737306418
Energy: 4.249274749536748
Energy: 4.248469860171382
Energy: 4.294690669536045
Energy: 4.225105922245082
Energy: 4.245158053266456
Energy: 4.251946230576642
Energy: 4.244568225139285
Energy: 4.256946899593091
Energy: 5.801223857328519
Energy: 4.223172198599987
Energy: 4.253222810384572
Energy: 4.259854031528437
Energy: 4.249906554546694
Energy: 4.247767661098926
Energy: 5.806674126529614
Energy: 4.222491860871462
Energy: 4.222052108899763
Energy: 4.269989689335237
Energy: 4.221910400257743
Energy: 4.247823329782602
Energy: 4.288306110750364
Energy: 4.223407510643945
Energy: 3.9091113280342378
Energy: 3.9104382135196887
Energy: 4.232149842718928
Energy: 4.265117710160297
Energy: 4.2464169926006035
Energy: 4.257337593546076
Energy: 4.223313451534738
Energy: 4.2629026921451505
Energy: 4.231079988688699
Energy: 4.258373421640554
Energy: 4.2416514466619635
Energy: 4.2416433874954205
Energy: 4.2454657770535675
Energy: 4.262384819065093
Energy: 4.243526521137813
Energy: 4.241585000271293
Energy: 4.254379940074538
Energy: 4.249064170669706
Energy: 4.247215579789746
Energy: 5.00241569192697
Energy: 4.247164160881207
Energy: 4.250345366194183
Energy: 4.2673723386481965
Energy: 4.255802689073732
Energy: 4.9090757548825135
Energy: 4.239770549253148
Energy: 4.254606156021953
Energy: 4.256786378002181
Energy: 4.569161615906208
Energy: 4.2458756807392115
Energy: 4.256135532689673
Energy: 4.260207761305064
Energy: 4.244661128130553
Energy: 4.246359124618011
Energy: 4.276254824609589
Energy: 4.248040598725321
Energy: 4.252559460466799
Energy: 4.2502304812060245
Energy: 4.251703423175202
Energy: 4.249963624446838
Energy: 4.275337681301898
Energy: 4.245399365838281
Energy: 4.2453738232435985
Energy: 4.252739194041631
Energy: 4.2455118403458965
Energy: 4.255133804463422
Energy: 6.74012979575402
Energy: 4.2480398200709075
Energy: 4.27652924883295
Energy: 4.275565126478894
Energy: 4.2478802532143005
Energy: 4.58137796813977

minimum gb energy = 3.9083310497228965 eV
minimum distance =  2.12797905008386 Angstroms
sigma value = 43


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

Energy: 9.019422443347128
Energy: 4.129679509237663
Energy: 4.4157948853230975
Energy: 4.41602101283394
Energy: 4.404201761672427
Energy: 4.143230598630897
Energy: 4.422783642002609
Energy: 4.404333166283906
Energy: 4.400238228798427
Energy: 4.401391298630576
Energy: 4.400110874685006
Energy: 4.393051277414544
Energy: 4.7420162660562255
Energy: 4.558537890197254
Energy: 4.397021526424871
Energy: 4.397482713680109
Energy: 4.397305507044298
Energy: 4.400567289132169
Energy: 5.4634532562841605
Energy: 4.136358676154757
Energy: 4.404944927380236
Energy: 4.406159029049969
Energy: 4.560187209087442
Energy: 4.13638920218255
Energy: 5.547481729473546
Energy: 4.137324401646636
Energy: 4.5555176579577665
Energy: 4.647002877819638
Energy: 4.555964536886564
Energy: 4.136766757634212
Energy: 4.137632340478657
Energy: 4.136645830212011
Energy: 4.129777792343228
Energy: 4.126564948957119
Energy: 4.559362345044257
Energy: 4.135784290576602
Energy: 4.140467916816727
Energy: 4.139648633495375
Energy: 4.559634221064198
Energy: 4.403688780908629
Energy: 4.140909699421839
Energy: 4.1408334331671615
Energy: 4.138934652646449
Energy: 4.141429112818776
Energy: 4.572935753043186
Energy: 4.405951192514256
Energy: 4.135711276672453
Energy: 4.139487988736163
Energy: 4.141951278314169
Energy: 4.136730957761375
Energy: 4.56078737234959
Energy: 4.386436211631073
Energy: 4.561242028475633
Energy: 4.135992941602722
Energy: 6.001859961117592
Energy: 4.136716212934415
Energy: 4.561891756722584
Energy: 4.402801970302661
Energy: 4.55954099563139
Energy: 4.13697884563457
Energy: 6.251083598217734
Energy: 4.135419876574086
Energy: 4.406350716379161
Energy: 4.4044269486663685
Energy: 4.571974410090443
Energy: 4.127844878829611
Energy: 5.5466059677268325
Energy: 4.560628103269556
Energy: 4.403210788559523
Energy: 4.40389526084623
Energy: 4.402222446011441
Energy: 4.399947288686783
Energy: 4.141191600535971
Energy: 4.3993556947631
Energy: 4.4003218461229885
Energy: 4.398403656064158
Energy: 4.399616525706796
Energy: 4.56142856479572
Energy: 7.148920889598468
Energy: 4.395962780887194
Energy: 4.402695728235875
Energy: 4.407420456799709
Energy: 4.40406020278564
Energy: 4.563896796123946
Energy: 4.387726832897446
Energy: 4.4012350222416545
Energy: 4.400583561619923
Energy: 4.403310989232047
Energy: 4.40009168369882
Energy: 4.396275421627773
Energy: 4.73703658602511
Energy: 4.401372651265541
Energy: 4.395870295158524
Energy: 4.404949073198262
Energy: 4.395351467057796
Energy: 4.403108565411812
Energy: 5.576882264653192
Energy: 4.3972247870177075
Energy: 4.40084061201504
Energy: 4.742042331277643
Energy: 5.116426376944879
Energy: 4.39807154178081
Energy: 5.569414330893228
Energy: 4.3993894413291015
Energy: 4.39598535633891
Energy: 4.409647366007782
Energy: 4.401001584614589
Energy: 4.398527360479828
Energy: 4.41638653131377
Energy: 4.415416502129357
Energy: 4.130049248242277
Energy: 4.1291789267948955
Energy: 4.403597090120101
Energy: 4.4167592041736565
Energy: 4.40199952699838
Energy: 4.400185598081079
Energy: 4.398090216382131
Energy: 4.135931851707852
Energy: 4.400677492723116
Energy: 4.400771620402721
Energy: 4.400968095522266
Energy: 4.396482522247886
Energy: 4.138246952117626
Energy: 4.741791841578628
Energy: 4.4022305117875975
Energy: 4.397313808497477
Energy: 4.407410743990636
Energy: 4.401762407597577
Energy: 4.136210690878869
Energy: 4.137347477590837
Energy: 4.1367736880826245
Energy: 4.406603814498611
Energy: 4.647843209541437
Energy: 4.557420879551335
Energy: 4.137069697343293
Energy: 4.395889644814845
Energy: 4.137571738895599
Energy: 4.561902995242895
Energy: 6.194182581167386
Energy: 4.559440253969396
Energy: 4.135943868719978
Energy: 4.1374568983544275
Energy: 4.1384592775282965
Energy: 4.130558476824458
Energy: 4.404487911258293
Energy: 4.559373382444237
Energy: 4.140493240144772
Energy: 4.140850104820388
Energy: 4.139252659739703
Energy: 4.559672890054713
Energy: 4.406921433111666
Energy: 4.135228704486401
Energy: 4.1404989335896385
Energy: 4.140126278792586
Energy: 4.140892610719252
Energy: 4.79150836097491
Energy: 5.4394428085065005
Energy: 4.561344393710109
Energy: 4.136196556127116
Energy: 4.1419693163531175
Energy: 4.139930025668382
Energy: 4.125337220680724
Energy: 4.854497484625455
Energy: 4.55992496744486
Energy: 4.137020646604122
Energy: 4.397083741404824
Energy: 4.137640662811317
Energy: 4.563055088886712
Energy: 4.404891553015655
Energy: 4.404793608027074
Energy: 4.134658472296927
Energy: 4.1342035790819605
Energy: 4.136493772223923
Energy: 4.40775984230965
Energy: 4.4067915624150205
Energy: 4.403035518769222
Energy: 4.137384074465244
Energy: 5.547086568604586
Energy: 4.573129244640682
Energy: 4.4041121580904194
Energy: 4.397851108329807
Energy: 4.398957309908949
Energy: 4.395398540681714
Energy: 4.142427270690123
Energy: 4.401400724797854
Energy: 4.400042931908216
Energy: 4.407181707032372
Energy: 4.402875857503543
Energy: 4.55214164855668
Energy: 4.37937066119722
Energy: 4.400842926578726
Energy: 4.404248110903437
Energy: 5.567374183954487
Energy: 4.399295474419434
Energy: 4.401247053357341
Energy: 4.387303518752154
Energy: 4.4004202110036745
Energy: 4.400932594256525
Energy: 5.460725203335765
Energy: 4.395622620517468
Energy: 4.405249802874642
Energy: 4.739367131002668
Energy: 4.396254135284236
Energy: 4.39629695169997
Energy: 4.742612907396506
Energy: 4.398895200907248
Energy: 4.3977837015300985
Energy: 4.39972364488926
Energy: 4.397766114551904
Energy: 4.40163309358871
Energy: 4.422783657074322
Energy: 4.398554015683493
Energy: 4.398990382812743
Energy: 4.401033785807295
Energy: 4.398444124519783
Energy: 4.393203920201837

minimum gb energy = 4.125337220680724 eV
minimum distance =  2.12000161533528 Angstroms
sigma value = 81


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

Energy: 4.133420143727983
Energy: 4.133860975213133
Energy: 4.801811545629241
Energy: 4.798117326100417
Energy: 4.798899842894253
Energy: 4.134626956161555
Energy: 4.134575747631827
Energy: 4.794904030034532
Energy: 4.1775948623132395
Energy: 4.179259680951496
Energy: 4.180658277802353
Energy: 4.796003732698925
Energy: 4.79637355288695
Energy: 4.796594940118094
Energy: 4.179316880358898
Energy: 4.176573489085823
Energy: 4.179730574731128
Energy: 4.795925901414291
Energy: 4.797784419062143
Energy: 4.797252818756662
Energy: 4.177275756519628
Energy: 4.181224700795906
Energy: 4.79661171118725
Energy: 4.797754466651108
Energy: 4.798586775390197
Energy: 4.797979665455479
Energy: 4.794990985235373
Energy: 4.133486028293134
Energy: 4.79514769525579
Energy: 4.797187067621571
Energy: 4.15362817508013
Energy: 4.1793510049433396
Energy: 4.133086401447725
Energy: 4.133735812691749
Energy: 4.796664213306377
Energy: 4.176449841993141
Energy: 4.178338078165079
Energy: 4.1782690599865004
Energy: 4.797747261485461
Energy: 4.1774513534994515
Energy: 4.793872009736961
Energy: 4.1788469851700905
Energy: 4.175854939246286
Energy: 4.1800219945268235
Energy: 4.796245288460878
Energy: 4.79879043079254
Energy: 4.79430822669367
Energy: 4.178606853001818
Energy: 4.17948274898337
Energy: 4.176811633312003
Energy: 4.796803049619997
Energy: 4.796073751836394
Energy: 4.7962910148184745
Energy: 4.176724044038965
Energy: 4.133318676326512
Energy: 4.793401899908415
Energy: 4.7972314566532495
Energy: 4.798350934715124
Energy: 4.802502790776554
Energy: 4.794612515615294

minimum gb energy = 4.133086401447725 eV
minimum distance =  2.15639478694849 Angstroms
sigma value = 3


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

Energy: 7.8255661852057
Energy: 4.0577006538704286
Energy: 3.9673241260281964
Energy: 3.989435674809943
Energy: 3.9683582829967046
Energy: 3.965223461030369
Energy: 3.929092596014138
Energy: 4.750408930248287
Energy: 4.746741237330016
Energy: 4.733689632987705
Energy: 4.755901403753603
Energy: 5.12817902268832
Energy: 4.723337737036518
Energy: 3.9634062551891596
Energy: 4.789007360605738
Energy: 4.783992986719534
Energy: 4.777630698125427
Energy: 4.720953662646412
Energy: 4.794274645346308
Energy: 4.77794803034176
Energy: 4.721650808942385
Energy: 3.9671482440370016
Energy: 4.441400420982723
Energy: 4.790246097129373
Energy: 4.723253206130317
Energy: 4.737009026215519
Energy: 4.759333833959096
Energy: 3.976854002260605
Energy: 4.756659794016179
Energy: 4.72558735517938
Energy: 3.991071122566304
Energy: 4.014881566733822
Energy: 4.416768773345758
Energy: 3.94624083410617
Energy: 4.7093485091103595
Energy: 3.992783374145158
Energy: 5.415462740649166
Energy: 4.75377412266597
Energy: 5.131100810256228
Energy: 3.9665317283086527
Energy: 4.760213850974482
Energy: 4.74672077647459
Energy: 5.481050354804379
Energy: 4.7578112816694365
Energy: 3.961483285717113
Energy: 3.9624312693436927
Energy: 3.965001201363327
Energy: 4.758923445091568
Energy: 3.9624053084730115
Energy: 3.963292848895576
Energy: 3.960743404624549
Energy: 3.966133998781776
Energy: 3.963144423821659
Energy: 4.712105254353541
Energy: 3.9688798820437228
Energy: 4.425304850362346
Energy: 3.9615202720057296
Energy: 3.9625958227365974
Energy: 3.9603166399792493
Energy: 3.963792988010633
Energy: 4.70406889782607
Energy: 3.962913478965894
Energy: 3.962004488987714
Energy: 3.964072926672806
Energy: 3.9693866543712377
Energy: 4.722192104517186
Energy: 3.979279245099115
Energy: 3.964647444521882
Energy: 3.977303956595577
Energy: 3.987813189432539
Energy: 3.9638439321903265
Energy: 3.9958667802482384
Energy: 3.961834057533677
Energy: 3.96409986808252
Energy: 3.960662297777068
Energy: 3.987303832265931
Energy: 3.9648895470555976
Energy: 3.967480097512126
Energy: 3.9636662488993077
Energy: 3.9605817078181125
Energy: 3.962201970667486
Energy: 3.9940384321933857
Energy: 3.9625314048964952
Energy: 3.960305464473496
Energy: 3.961974206257753
Energy: 3.962576290823821
Energy: 4.750695826689231
Energy: 4.75315801190904
Energy: 4.4048507271667985
Energy: 3.9595161309092655
Energy: 3.9627442400397426
Energy: 5.135490335834378
Energy: 4.781761631714004
Energy: 4.7813694795801505
Energy: 4.7839724959386745
Energy: 3.963345031467222
Energy: 5.51012228352435
Energy: 3.961198765026982
Energy: 4.707153910911752
Energy: 3.9589522264678934
Energy: 4.70848328848516
Energy: 3.9308482217464147
Energy: 3.9697391279515304
Energy: 4.440992786030869
Energy: 4.719865268075749
Energy: 4.720943842467416
Energy: 4.722663578714458
Energy: 3.9301649583512006
Energy: 3.967697524091715
Energy: 4.421335810890615
Energy: 4.778022059341322
Energy: 4.7789715083036475
Energy: 4.774220617949355
Energy: 4.707038307355182
Energy: 4.76912371372304
Energy: 4.7584205964270145
Energy: 4.734197829187329
Energy: 4.724183009140807
Energy: 4.419575020424011
Energy: 4.756283657966858
Energy: 4.77300048382578
Energy: 4.783209314273712
Energy: 3.9615429901950976
Energy: 3.9627426390932174
Energy: 4.784228183989744
Energy: 4.777409573972597
Energy: 3.9680990135578966
Energy: 4.711019392252148
Energy: 3.9498583777415512
Energy: 3.9468220200646185
Energy: 4.71237740535776
Energy: 3.969065959568665
Energy: 4.7212269650914065
Energy: 4.7222272495865365
Energy: 5.144121940227641
Energy: 4.026126832563364
Energy: 5.140225673731224
Energy: 4.721318876710408
Energy: 5.8138164917897415
Energy: 4.777188109959529
Energy: 3.9690883699659203
Energy: 3.968870177412492
Energy: 3.9678082221685798
Energy: 5.4158187044568935
Energy: 4.717741981624285
Energy: 5.140766336373596
Energy: 3.965718354086665
Energy: 3.966253294928305
Energy: 3.96410293233706
Energy: 4.719716177605084
Energy: 3.997653130000179
Energy: 3.962703475332336
Energy: 3.96755913885728
Energy: 3.968026360883707
Energy: 3.965222601671831
Energy: 4.409025816675916
Energy: 4.706468370454718
Energy: 4.425107179695573
Energy: 3.962970147895881
Energy: 3.9616164809419865
Energy: 3.9640378809845402
Energy: 4.72234321942363
Energy: 4.012202364156002
Energy: 3.965303817285004
Energy: 3.9647742018041043
Energy: 3.9759991813496876
Energy: 4.424104905870851
Energy: 3.964642865345332
Energy: 3.960928800633176
Energy: 3.964214950204777
Energy: 3.979491930368286
Energy: 3.9787656185467464
Energy: 4.424360336853256
Energy: 3.962733564223691
Energy: 3.966865911415929
Energy: 3.970482842206303
Energy: 4.431182105223902
Energy: 3.9779639456117075
Energy: 3.973225603853722
Energy: 3.9689720180695973
Energy: 3.9619952962163154
Energy: 3.9621183326098515
Energy: 4.7215529589317855
Energy: 4.712127228513298
Energy: 3.9700562417947425
Energy: 3.961590628176464
Energy: 3.9684356340369504
Energy: 3.967480745292399
Energy: 4.776166448325887
Energy: 4.781817803250471
Energy: 4.776791878914706
Energy: 3.9692636584574656
Energy: 3.932445349392436
Energy: 3.9667384352691974
Energy: 4.721297380197791
Energy: 4.721021131955443
Energy: 4.737646352120033
Energy: 3.9276333600561117

minimum gb energy = 3.9276333600561117 eV
minimum distance =  2.14875772610957 Angstroms
sigma value = 67


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

Energy: 6.11742621563199
Energy: 3.6121176129730994
Energy: 3.628312884259112
Energy: 3.6275553383206796
Energy: 3.6275825610128374
Energy: 3.6140853751926922
Energy: 3.6131426760300878
Energy: 3.9305011879545195
Energy: 4.601588531908606
Energy: 4.609594286359702
Energy: 4.604447870118665
Energy: 4.8912496759950335
Energy: 4.6242917432094925
Energy: 3.941819602191036
Energy: 4.653502286406697
Energy: 4.657904650593065
Energy: 4.657216644204335
Energy: 4.588013969112581
Energy: 4.640532414045737
Energy: 4.6520601000745145
Energy: 4.590413478865792
Energy: 3.6227951740003768
Energy: 3.9498913619832114
Energy: 4.650659373034092
Energy: 4.619962391346402
Energy: 4.59894930360648
Energy: 3.6237826078205773
Energy: 3.6557536593148683
Energy: 4.603353529521345
Energy: 4.5924786003878495
Energy: 3.6572378577695193
Energy: 3.6572903087845625
Energy: 4.614830218337598
Energy: 4.613313476237518
Energy: 4.915148474054051
Energy: 3.656203244897331
Energy: 5.5107847636807525
Energy: 4.608696464179918
Energy: 4.895530644207938
Energy: 3.6307031752637595
Energy: 4.889762904324733
Energy: 4.604746809650452
Energy: 5.517569297271913
Energy: 4.652596819570435
Energy: 3.624978097263563
Energy: 3.6463566438453294
Energy: 3.624583970307539
Energy: 5.528132375049438
Energy: 3.6566182813745303
Energy: 3.62678389093438
Energy: 3.6225630103932307
Energy: 3.6316821451687056
Energy: 3.622903544680984
Energy: 3.6542204639750087
Energy: 4.594250830801388
Energy: 4.9049980853776916
Energy: 3.6292804368238296
Energy: 3.6298216829210985
Energy: 3.6285120946678657
Energy: 4.59976427277091
Energy: 4.6591521155489835
Energy: 4.653151239481896
Energy: 3.6260934039197257
Energy: 3.631478616636014
Energy: 4.921931457238692
Energy: 4.651909105305341
Energy: 3.659097447877411
Energy: 4.618481337493582
Energy: 3.6192943847154533
Energy: 3.622027862012603
Energy: 3.6283858707553676
Energy: 3.6604593906904612
Energy: 3.621295778657544
Energy: 4.590020976980931
Energy: 3.6197137231951615
Energy: 3.6215456735064064
Energy: 3.9469157682664475
Energy: 3.6248220985840924
Energy: 4.65879555700942
Energy: 4.656678031325284
Energy: 3.9305656673853977
Energy: 3.6334979040267616
Energy: 4.640306225854132
Energy: 4.654846968082045
Energy: 4.614648247087064
Energy: 4.603415099503411
Energy: 4.604337490472819
Energy: 4.605100787197127
Energy: 3.932177499286318
Energy: 4.598635996491104
Energy: 3.6329279577446654
Energy: 4.638318206201585
Energy: 4.649658811362173
Energy: 4.660933268423758
Energy: 4.6635489713543015
Energy: 3.623098515977426
Energy: 4.614717771984371
Energy: 3.6254468880306776
Energy: 3.664381850157299
Energy: 3.6253199211051728
Energy: 4.590067688481532
Energy: 4.61302439806811
Energy: 4.571373562894308
Energy: 3.622719268327424
Energy: 4.591733309548102
Energy: 3.656792885941567
Energy: 4.594347692686076
Energy: 3.623704390976374
Energy: 3.653643717239897
Energy: 3.624462090840479
Energy: 5.520519194735969
Energy: 5.537080308153754
Energy: 4.649216317749795
Energy: 3.625215016862172
Energy: 3.6394538060101307
Energy: 3.62490311437733
Energy: 4.596138331534605
Energy: 4.592987700019281
Energy: 3.623743673058172
Energy: 3.6262092064138183
Energy: 3.6346166275377567
Energy: 3.624450446517683
Energy: 4.886647167972144
Energy: 3.6655221482578852
Energy: 3.628557380167311
Energy: 3.623766499017912
Energy: 3.6287385416743616
Energy: 3.629711898765813
Energy: 4.650349515932374
Energy: 4.648868137256664
Energy: 4.928050788097462
Energy: 3.629549232468606
Energy: 3.6106088210713754
Energy: 3.624090769780203
Energy: 4.600273295260094
Energy: 4.593788658216357
Energy: 4.607674429988398
Energy: 3.6234125881303827

minimum gb energy = 3.6106088210713754 eV
minimum distance =  2.14657036790606 Angstroms
sigma value = 33


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

Energy: 3.246546725815205
Energy: 3.261521222465318
Energy: 3.2645501383730906
Energy: 4.8956664252025845
Energy: 3.263616510095387
Energy: 4.752763268709706
Energy: 3.8484015067776207
Energy: 4.312324881130989
Energy: 3.9249254040410944
Energy: 3.891827988159881
Energy: 4.303848195676025
Energy: 3.2595603910884243
Energy: 3.9197608193938773
Energy: 3.890582814876002
Energy: 3.963211858542737
Energy: 4.554123357306514
Energy: 4.332101561044942
Energy: 3.8900761326618145
Energy: 4.0212031532785195
Energy: 4.0085286815363945
Energy: 3.8793014413474283
Energy: 3.882227686951429
Energy: 3.2612408617185427
Energy: 3.9468854152246102
Energy: 3.918404676169579
Energy: 3.9229275386945317
Energy: 3.902579925876133
Energy: 3.877135104477873
Energy: 3.8798082371935343
Energy: 3.918449651416655
Energy: 3.2693428771830444
Energy: 3.2624519808914236
Energy: 3.987624269552596
Energy: 3.9175183012961643
Energy: 4.965449445468891
Energy: 3.259948612233376
Energy: 3.250962458725517
Energy: 3.9336396702555163
Energy: 3.877732735259046
Energy: 3.2626115440035632
Energy: 3.8832914013422934
Energy: 4.559293146964475
Energy: 3.2453430879998373
Energy: 3.653188177228502
Energy: 3.8732564972963353
Energy: 3.8749038747513773
Energy: 3.8699458828238655
Energy: 4.544983913403112
Energy: 3.8839445407597775
Energy: 3.9839216964277835
Energy: 3.9627911716559137
Energy: 3.9679593352925386
Energy: 3.9727378347526687
Energy: 3.8722145118985054
Energy: 3.918957435967591
Energy: 4.305747513668157
Energy: 3.949428405543941
Energy: 3.960945228187578
Energy: 3.9565815821326193
Energy: 3.9017129260419345
Energy: 3.9592946617024216
Energy: 3.9653764936023523
Energy: 3.8685252402868477
Energy: 3.874153008908447
Energy: 4.4003192498894705
Energy: 3.960259674695065
Energy: 3.8780323188204977
Energy: 3.8768412696386227
Energy: 3.2655946784671372
Energy: 4.4670527657471055
Energy: 3.2604391212405295
Energy: 3.8809119221214474
Energy: 3.2947309603119033
Energy: 3.8885507534720967
Energy: 3.2660313048362863
Energy: 4.467223469260241
Energy: 3.265920259966385
Energy: 3.2653381363516303
Energy: 3.251792711905572
Energy: 3.961987749211809
Energy: 3.262456971233294
Energy: 3.2635968477670687
Energy: 3.8860205312472824
Energy: 3.2495818274047252
Energy: 3.256209582096653
Energy: 3.2655363606465713
Energy: 3.261358083447221
Energy: 3.2738419481459458
Energy: 3.2618642235474713
Energy: 3.8991189608306605
Energy: 3.29687007907538
Energy: 3.2638427400833354
Energy: 3.258498145823242
Energy: 3.2675858821912707
Energy: 3.258161883622213
Energy: 3.295832564580831
Energy: 3.918219040567603
Energy: 3.2606738319035515
Energy: 3.259624064442353
Energy: 3.264093726661561
Energy: 3.2685275486268726
Energy: 3.9601140443415996
Energy: 3.271587261627949
Energy: 3.9225864442004585
Energy: 3.260135387338994
Energy: 3.266016624041655
Energy: 3.260253341635551
Energy: 3.922821293753446
Energy: 3.2971876682926586
Energy: 3.276404772920081
Energy: 3.247983075505834
Energy: 4.512122997144208
Energy: 3.8820749593785275
Energy: 3.2971884402673535
Energy: 3.887767292860104
Energy: 3.925520907785551
Energy: 3.2608480402957367
Energy: 3.8460856480532755
Energy: 4.307816707704303
Energy: 3.8892281796369885
Energy: 4.547841029748218
Energy: 3.9234397466380484
Energy: 3.8828599303934195
Energy: 3.886073462938359
Energy: 3.6379471137291706
Energy: 3.9599751139745063
Energy: 3.884026034741667
Energy: 4.2607328521530325
Energy: 3.985408869331736
Energy: 3.9525737687015394
Energy: 3.9467030220496335
Energy: 3.879518608186129
Energy: 3.8768297761931945
Energy: 3.260001800913497
Energy: 3.926191027678185
Energy: 3.9268031514220985
Energy: 3.9344882686631584
Energy: 3.889287354494719
Energy: 3.2465906238385323
Energy: 3.2675879244500323
Energy: 3.260650461594189
Energy: 3.26578309734298
Energy: 3.261135072352449
Energy: 3.923109691170332
Energy: 3.2597177378331605
Energy: 3.88469624777908
Energy: 3.9254572553451714
Energy: 3.2527069411423732
Energy: 3.8813355658827566
Energy: 3.8857901167097517
Energy: 3.8729377627851482
Energy: 3.873514060652291
Energy: 4.547513212924396
Energy: 3.232420046749048
Energy: 3.8766364268037417
Energy: 3.8691335330197356
Energy: 3.9624506074433734
Energy: 3.957910452632502
Energy: 4.311022066441673
Energy: 3.8826904393882216
Energy: 3.929238612117981
Energy: 3.9510053009133848
Energy: 3.965874659767402
Energy: 3.9600141893459146
Energy: 3.894566363083545
Energy: 3.8912262336498364
Energy: 4.309634455263983
Energy: 3.95337613447772
Energy: 3.8765858914739235
Energy: 3.6442758787729455
Energy: 3.9626679554265163
Energy: 3.963967124601826
Energy: 3.948243830525763
Energy: 3.872042265600626
Energy: 3.841994455651811
Energy: 3.262456999461583
Energy: 3.8797376055314676
Energy: 3.8794844974933866
Energy: 3.8855986739123383
Energy: 3.9141978306999827
Energy: 3.840265948065731
Energy: 3.262517512845252
Energy: 3.8748991640766453
Energy: 3.2978236138366217
Energy: 3.8868175493831645
Energy: 3.9193747735452464
Energy: 3.2609423034995397
Energy: 3.650412686066544
Energy: 3.9554673355632635
Energy: 3.250262389184425
Energy: 3.961705242384362
Energy: 3.2658263647563213
Energy: 3.280074542992356
Energy: 3.2650109179589335
Energy: 3.9231195749911167
Energy: 3.253875028633663
Energy: 3.261122968392752
Energy: 3.2644907860953967
Energy: 3.260268955709188
Energy: 3.255816339147228
Energy: 4.313738393483877
Energy: 3.296521223690953
Energy: 3.2605540574882856
Energy: 3.257032256582315
Energy: 3.267986508824614
Energy: 3.2583481690430545
Energy: 3.8761275019289076
Energy: 3.8928528282556236
Energy: 3.2595261230815376
Energy: 3.2606812857950125
Energy: 3.2608606864983343
Energy: 3.2587311015629856
Energy: 3.923624142824722
Energy: 3.296537674996937
Energy: 4.312920283018398
Energy: 3.2654062355805586
Energy: 3.2402751611869127
Energy: 3.2637091232892588
Energy: 3.299326336402269
Energy: 3.2970780592256173
Energy: 3.88413615464339
Energy: 4.5108245722724565

minimum gb energy = 3.232420046749048 eV
minimum distance =  2.0896899292086 Angstroms
sigma value = 41


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

Energy: 6.781396795402871
Energy: 4.772481587897602
Energy: 3.6322570151265636
Energy: 3.657753016735543
Energy: 3.631206593913585
Energy: 4.770768219074129
Energy: 4.7582154447121
Energy: 2.7258773939692085
Energy: 3.6418190209519596
Energy: 3.6390383689513746
Energy: 2.7363332355279244
Energy: 3.635686077223408
Energy: 3.6487921021781373
Energy: 2.7240830125416178
Energy: 2.7269961870887545
Energy: 2.341293283480144
Energy: 2.740174718427673
Energy: 3.6348971921457167
Energy: 3.6278694787194627
Energy: 2.7273167113386094
Energy: 2.725989907398125
Energy: 3.6523595997600458
Energy: 2.739797946885115
Energy: 3.6233206565166314
Energy: 3.640581633943163
Energy: 3.635110039123434
Energy: 2.726381025840279
Energy: 3.6348423206065497
Energy: 2.7307539149691817
Energy: 3.6343849107593837
Energy: 3.6397986307761356
Energy: 3.6209479291634312
Energy: 2.7259704531497904
Energy: 3.473858970838156
Energy: 3.6473357693027704
Energy: 3.632333821110592
Energy: 4.753401318171484
Energy: 3.629194415648203
Energy: 3.6209401656646913
Energy: 3.6428899257396883
Energy: 2.738322241864123
Energy: 4.747565970592481
Energy: 4.743900421191139
Energy: 2.72462355081607
Energy: 3.626781985459113
Energy: 3.648432424906339
Energy: 3.6244196937986817
Energy: 4.748970708514014
Energy: 3.638901928371924
Energy: 2.727438940946647
Energy: 2.7253799839517048
Energy: 2.3414605813095815
Energy: 2.73959272736621
Energy: 3.631140096878232
Energy: 3.6257133877306846
Energy: 2.7226326775289094
Energy: 2.7240905795744705
Energy: 3.6430639151620072
Energy: 2.7371865810167804
Energy: 3.629055574005903
Energy: 3.6147999002775166
Energy: 3.6320858566653373
Energy: 2.72648877748428
Energy: 3.651152472889824
Energy: 2.741762316037076
Energy: 3.620415138297582
Energy: 3.6340679827125526
Energy: 3.6377891582095647
Energy: 2.7245488951863313
Energy: 3.472376167528837
Energy: 2.7302982178520705
Energy: 3.6390560054943104
Energy: 3.639180265130905
Energy: 3.635551245890518
Energy: 2.7252955458125756
Energy: 3.6306452833076417
Energy: 2.730472140322957
Energy: 3.6297654165842093
Energy: 4.7625869257760325
Energy: 3.6276609963305764
Energy: 3.621048841851263
Energy: 3.6515698743191054
Energy: 3.6198463035633175
Energy: 4.7648037445959135

minimum gb energy = 2.341293283480144 eV
minimum distance =  2.22558144445635 Angstroms
sigma value = 11


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

Energy: 3.8757325914742995
Energy: 3.9110370337198073
Energy: 3.9522668437444533
Energy: 3.9531103362341207
Energy: 3.9524578442212945
Energy: 3.8882029258322155
Energy: 3.9268557993445237
Energy: 3.954541809420298
Energy: 3.933349325511165
Energy: 3.9326288305552795
Energy: 4.343754991511707
Energy: 3.9514461023926413
Energy: 3.9513286605040743
Energy: 3.941176452834587
Energy: 4.351247904171128
Energy: 3.918352511349464
Energy: 3.9537160531754605
Energy: 3.9411893971602643
Energy: 3.9410546176997925
Energy: 3.949929717578428
Energy: 3.933080554500946
Energy: 3.930206164395598
Energy: 3.94856748899955
Energy: 3.948844888397966
Energy: 3.951906584749127
Energy: 3.9508161887225093
Energy: 3.936038444487986
Energy: 3.931943734416225
Energy: 3.9543804851095237
Energy: 3.9520849111223804
Energy: 3.9563055357290513
Energy: 3.950388835639249
Energy: 3.9369933008552964
Energy: 3.9357195173350807
Energy: 4.353274240521545
Energy: 3.9501684133021313
Energy: 3.9004155659688773
Energy: 3.948461131523896
Energy: 3.9308141117354447
Energy: 3.9381376227271785
Energy: 3.930830734404537
Energy: 3.882268369242229
Energy: 3.900776351848187
Energy: 3.947352289573432
Energy: 3.950133004568535
Energy: 3.9524889095229105
Energy: 3.9324741696523913
Energy: 3.8827991345040402
Energy: 3.9567181778182063
Energy: 3.9343266449022454
Energy: 3.9349897887443688
Energy: 3.9048360697955644
Energy: 3.954397305964697
Energy: 3.951679775616817
Energy: 3.9514490380499256
Energy: 3.9526782316310864
Energy: 4.347695952093256
Energy: 3.903486738476307
Energy: 3.953394261195993
Energy: 3.953758046798694
Energy: 3.945458310187891
Energy: 3.946453229407328
Energy: 3.9516915410442386
Energy: 3.959820831929522
Energy: 4.365143583918884
Energy: 3.94710851963372
Energy: 3.950503686619016
Energy: 3.9501380329450946
Energy: 3.9475550097948675
Energy: 3.9466692740926983
Energy: 4.346643291642133
Energy: 3.951968197934515
Energy: 3.9556880814856363
Energy: 4.34969873032238
Energy: 3.9518548323610783
Energy: 3.950750396192991
Energy: 3.95250586326515
Energy: 3.9479511358202437
Energy: 3.8834779075996515
Energy: 3.955416579915953
Energy: 3.946291518083822
Energy: 3.9511544516701114
Energy: 3.9481296202082503
Energy: 4.345094466054217
Energy: 3.9510784250420588
Energy: 4.3474672517057025
Energy: 3.9514245178022986
Energy: 3.9478053096064296
Energy: 3.9518474082024024
Energy: 3.933789308064819
Energy: 3.953078331685335
Energy: 3.95143408450729
Energy: 3.896145313312521
Energy: 3.8658325401606666
Energy: 3.951515870882
Energy: 3.9547538049056965
Energy: 3.94260464354873
Energy: 3.932758154086453
Energy: 3.9506210540003797
Energy: 3.9274678450048905
Energy: 3.95161480685238
Energy: 3.9321658812736806
Energy: 3.907175154947647
Energy: 4.354508758972446
Energy: 3.941444946697167
Energy: 3.948104463401268
Energy: 3.941560379793912
Energy: 3.9159198736610397
Energy: 3.9404579149700862
Energy: 4.3490963181355555
Energy: 3.94389041367152
Energy: 3.9496090706664333
Energy: 3.9478433514172218
Energy: 3.9308250696210285
Energy: 3.9305089022473942
Energy: 4.34848659451523
Energy: 3.9507789003672102
Energy: 3.956574407547513
Energy: 3.9513997585279874
Energy: 3.9337909972774243
Energy: 3.937812783045091
Energy: 4.354365988402465
Energy: 3.9510783144161516
Energy: 3.9555322080157604
Energy: 3.9506527934709124
Energy: 3.938879067113273
Energy: 3.9367995861221927
Energy: 3.9310831130714337
Energy: 3.9502489984162437
Energy: 3.900357043291699
Energy: 3.9470162753415168
Energy: 3.9333925060505295
Energy: 3.9524846891230174
Energy: 3.9511569277896026
Energy: 3.8819232942292365
Energy: 3.8840225402440183
Energy: 3.9332210988934415
Energy: 3.954262564684931
Energy: 3.911379942709427
Energy: 4.342178040477026
Energy: 3.934412597595785
Energy: 3.955198138017212
Energy: 3.952899523286096
Energy: 3.9023501399567393
Energy: 3.9043260331500775
Energy: 3.9545275183777595
Energy: 3.9531510044553815
Energy: 3.9517234299894963
Energy: 3.953454337349241
Energy: 3.902118497075808
Energy: 3.959674798481355
Energy: 3.9559521826561235
Energy: 3.9479531944539845
Energy: 3.94839219229726
Energy: 3.9472463891686407
Energy: 3.9498901297095625
Energy: 3.948310952720069
Energy: 3.9480033955804203
Energy: 3.9554393724601766
Energy: 3.950749239376885
Energy: 4.347354493882122
Energy: 3.9504461756437546
Energy: 3.949677804504347
Energy: 3.9503029041145905
Energy: 3.953478761831279
Energy: 3.94750087502188
Energy: 4.3446804521886975
Energy: 3.950833067170028
Energy: 3.9521209857970905
Energy: 3.950296456565307
Energy: 4.350624193350143
Energy: 3.8833290981436392
Energy: 3.954677032945523
Energy: 3.9502496853770306
Energy: 3.951232616537201
Energy: 3.952031362863204
Energy: 3.9337235248404574
Energy: 3.947348329325344
Energy: 3.9538748082642026
Energy: 3.951848990248144
Energy: 3.8648037346448203
Energy: 3.944087679532293
Energy: 3.9512556726709986
Energy: 3.953431341071189
Energy: 3.949763837285839
Energy: 3.903126036759962

minimum gb energy = 3.8648037346448203 eV
minimum distance =  2.10718997416608 Angstroms
sigma value = 57


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

Energy: 8.295261343857673
Energy: 4.638245001166046
Energy: 4.715700591150995
Energy: 4.557750332779957
Energy: 4.715155702080963
Energy: 4.638659834514075
Energy: 4.461849517882847
Energy: 4.844626224141834
Energy: 4.554662100736823
Energy: 4.551668407398333
Energy: 4.84408817487309
Energy: 4.555581405100277
Energy: 4.555192297416638
Energy: 4.555890692103791
Energy: 4.8431625557523885
Energy: 4.463642183140864
Energy: 4.844131042792188
Energy: 4.5540789821396475
Energy: 4.560478144343453
Energy: 4.553904327504266
Energy: 4.5536437051816
Energy: 4.5507030406310465
Energy: 4.8460805548243036
Energy: 4.558927656168906
Energy: 4.5555304968664725
Energy: 4.556087056577375
Energy: 4.843312823536888
Energy: 4.554990048234008
Energy: 4.848060446508257
Energy: 4.558525630903659
Energy: 4.5664918116982545
Energy: 4.5568939084221185
Energy: 4.845381401895667
Energy: 4.558113810798208
Energy: 4.845143487485442
Energy: 4.558976387070977
Energy: 4.489130712055101
Energy: 4.846630799859623
Energy: 4.554391603522802
Energy: 4.555893451082716
Energy: 4.557026984550968
Energy: 4.844817890665921
Energy: 4.483698511301856
Energy: 4.843222633971708
Energy: 4.5563558460365154
Energy: 4.740660778479392
Energy: 4.556834561655131
Energy: 4.844667534114987
Energy: 4.558854496964446
Energy: 4.552426542415497
Energy: 4.849733214958776
Energy: 4.4635374469855345
Energy: 4.844114331217178
Energy: 4.557983146753429
Energy: 4.717369649189357
Energy: 4.557344537230945
Energy: 4.847512299751941
Energy: 4.463022357920616
Energy: 4.8446692613090026
Energy: 4.556707920659621
Energy: 4.466500146647332
Energy: 4.845098743974361
Energy: 4.559407258807866
Energy: 4.573410670316354
Energy: 4.557773542409942
Energy: 4.8438697047148755
Energy: 4.466051100554083
Energy: 4.844824559941059
Energy: 4.556809246211065
Energy: 4.556347796752308
Energy: 4.554355715434598
Energy: 4.557093687298042
Energy: 4.564646073278485
Energy: 4.559126714513483
Energy: 4.557675502502929
Energy: 4.555917698258675
Energy: 4.554427949280958
Energy: 4.551551581444473
Energy: 4.5522093302726745
Energy: 4.842774138171936
Energy: 4.557182507010843
Energy: 4.557356293875386
Energy: 4.555721193996249
Energy: 4.844561108145763
Energy: 4.555167900691569
Energy: 4.5525236010610515
Energy: 4.554049515912443
Energy: 4.562049638239406
Energy: 4.841704674328291
Energy: 4.55385690870433
Energy: 4.55485013351943
Energy: 4.715476891324094
Energy: 4.554072771465533
Energy: 4.481977477905052
Energy: 4.560568180498636
Energy: 4.715927741800823
Energy: 4.46224157021355
Energy: 4.556195537829553
Energy: 4.5535640556325605
Energy: 4.556611963264854
Energy: 4.841797110327002
Energy: 4.558502496521309

minimum gb energy = 4.461849517882847 eV
minimum distance =  2.11092844499802 Angstroms
sigma value = 9


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

Energy: 8.92051814628619
Energy: 4.861427725249254
Energy: 4.975449867670884
Energy: 4.974379578339578
Energy: 4.975914131525841
Energy: 4.864488951595477
Energy: 4.9413232828119344
Energy: 4.88989876303933
Energy: 4.878135231293365
Energy: 4.882521783051427
Energy: 4.8903363246165945
Energy: 4.880361856398875
Energy: 4.87609280388742
Energy: 4.869705094174876
Energy: 4.781185988951092
Energy: 4.784342271183804
Energy: 4.866998270282032
Energy: 4.865734439470939
Energy: 4.887438255366965
Energy: 4.871828414501707
Energy: 4.888904971041584
Energy: 4.869243768964661
Energy: 4.903622300746528
Energy: 4.870830865313474
Energy: 4.867004223616405
Energy: 5.162577653718296
Energy: 4.868929055775782
Energy: 4.863234676914803
Energy: 5.155798336680669
Energy: 4.8650622825711345
Energy: 4.885230342673918
Energy: 4.888300741572976
Energy: 4.865383310824135
Energy: 4.865742951285881
Energy: 5.1647375110751215
Energy: 4.887189830150533
Energy: 4.920057849606848
Energy: 4.89077782265982
Energy: 4.892693504712543
Energy: 4.868838922046712
Energy: 4.892627278117646
Energy: 4.926113341332316
Energy: 4.923490896482352
Energy: 5.099255277286047
Energy: 4.866799428001091
Energy: 4.865234727659767
Energy: 4.868092598978329
Energy: 4.856569495281689
Energy: 4.983344750536407
Energy: 4.891326884080269
Energy: 5.1132701339896744
Energy: 4.97686171795773
Energy: 4.886940006450283
Energy: 4.888450328852523
Energy: 4.866582757344902
Energy: 4.888160928485856
Energy: 5.096397644719221
Energy: 4.886267110832051
Energy: 4.868420797813758
Energy: 4.8702825771035325
Energy: 4.885862984091929
Energy: 4.896338512603535
Energy: 4.868453410086356
Energy: 4.866581970436318
Energy: 4.86839193058027
Energy: 5.114663454440005
Energy: 4.885866777123205
Energy: 5.097873920497853
Energy: 4.891020606393533
Energy: 4.892927725924842
Energy: 4.891728342670587
Energy: 4.886866183851632
Energy: 4.862768221672377
Energy: 4.868025540568477
Energy: 5.09639345021556
Energy: 4.7807944360732995
Energy: 4.8655833783517926
Energy: 4.866584935272634
Energy: 4.867091801780377
Energy: 4.896632298855718
Energy: 4.865456639537205
Energy: 4.787259798635401
Energy: 4.889964910977263
Energy: 4.894113688774767
Energy: 4.861804889944784
Energy: 5.166524717156116
Energy: 4.870081592088437
Energy: 4.892561196535115
Energy: 4.866985668886323
Energy: 4.865630184765618
Energy: 4.868531034655551
Energy: 4.870947448331575
Energy: 4.867266638716239
Energy: 4.975427136119164
Energy: 5.162975104888766
Energy: 4.868945009919839
Energy: 4.877139253008306
Energy: 4.890330046627407
Energy: 4.892670723607879
Energy: 4.891590713175058
Energy: 4.893969195748535
Energy: 4.879511285730534
Energy: 5.007849037631419
Energy: 4.894229696057014
Energy: 4.867423552444438
Energy: 4.865031571103839
Energy: 4.863278298155003
Energy: 5.09458934736124
Energy: 4.918760492567488
Energy: 4.883631599624847
Energy: 4.889547881934047
Energy: 4.934399203301613
Energy: 5.0826138835520736
Energy: 4.872191702089001
Energy: 4.97791731916274
Energy: 4.975726451867705
Energy: 4.890833215010505
Energy: 4.972069006177766
Energy: 4.865972950589075
Energy: 4.975902324783475
Energy: 4.887318402398369
Energy: 4.895182348089036
Energy: 4.883908255534291
Energy: 4.871428104808131
Energy: 4.890905774667335
Energy: 4.860082393807557

minimum gb energy = 4.7807944360732995 eV
minimum distance =  2.10771664888789 Angstroms
sigma value = 27


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

Energy: 5.262898942052216
Energy: 5.029190593300613
Energy: 5.11889407141926
Energy: 5.120905819597147
Energy: 5.119023652147075
Energy: 5.035908054488938
Energy: 5.018236951336275
Energy: 5.012586404261037
Energy: 5.138392869260056
Energy: 5.1829657583469535
Energy: 5.1622676875552305
Energy: 5.001270384517583
Energy: 4.98337413403621
Energy: 4.978705311811659
Energy: 4.920200030750908
Energy: 4.920075383345325
Energy: 4.980298440038614
Energy: 4.978041838435576
Energy: 5.0004734136952
Energy: 5.007466584778737
Energy: 5.15999581562465
Energy: 5.054362589411362
Energy: 5.023869476773293
Energy: 5.0028785040659285
Energy: 4.917009419901983
Energy: 5.056659963430339
Energy: 5.056495616356688
Energy: 5.053200202992961
Energy: 5.057618218544944
Energy: 5.0135465256094305
Energy: 5.013651897483479
Energy: 5.012448363194883
Energy: 5.057673424037494
Energy: 5.05449952322582
Energy: 5.053998750121639
Energy: 5.012260690352131
Energy: 4.980789292298772
Energy: 5.2696160467681485
Energy: 5.106935444974254
Energy: 5.056663058318067
Energy: 5.367752746568858
Energy: 4.981901475421327
Energy: 4.981572643431132
Energy: 5.268258140576136
Energy: 5.060861168812102
Energy: 5.054791108561987
Energy: 4.894953483339268
Energy: 4.979935010593375
Energy: 4.981886942384479
Energy: 4.9808427183763
Energy: 4.981231251785413
Energy: 4.993153777193798
Energy: 4.981699131733972
Energy: 4.981523492218996
Energy: 5.001234245184454
Energy: 4.895243818156618
Energy: 4.8959098257781815
Energy: 5.148674580828916
Energy: 4.979953731207028
Energy: 5.008261008720667
Energy: 4.907742892723253
Energy: 4.954900022031595
Energy: 5.079935219531121
Energy: 5.076333074659617
Energy: 5.0402629955669855
Energy: 4.98422009985752
Energy: 5.096944518112202
Energy: 5.216665186746213
Energy: 4.8977722440363936
Energy: 5.057429708866242
Energy: 4.908805126764297
Energy: 4.896212237295535
Energy: 5.0036543630862536
Energy: 5.002769297872978
Energy: 4.892789004448888
Energy: 4.872493363884303
Energy: 4.894111752695072
Energy: 5.00374471353338
Energy: 4.97872715829429
Energy: 4.897551143168177
Energy: 5.023928676528909
Energy: 5.189702027740324
Energy: 4.895851287705643
Energy: 4.9800554046956975
Energy: 4.92024484923978
Energy: 4.9032269156471004
Energy: 4.895717961588081
Energy: 4.892160618994366
Energy: 4.894607444970845
Energy: 5.294523775149239
Energy: 4.918061605541332
Energy: 5.216491080943155
Energy: 4.996486805385806
Energy: 5.006671699383358
Energy: 5.025085607539118
Energy: 4.898323164994359
Energy: 4.999696510690797
Energy: 5.00122436960642
Energy: 5.272676011707223
Energy: 4.918269648421479
Energy: 5.218722400840038
Energy: 5.00156371158049
Energy: 5.002632288850214
Energy: 5.0025354526546275
Energy: 4.8945356511916716
Energy: 4.997379620643354
Energy: 5.315281207891731
Energy: 5.006702775734506
Energy: 5.002083627927877
Energy: 5.00366132777558
Energy: 5.024377737967081
Energy: 5.013289822229079
Energy: 5.505437212651387
Energy: 5.005741147151446
Energy: 5.002416682998465
Energy: 5.0007674590447415
Energy: 5.325545312501735
Energy: 5.013563636719446
Energy: 5.494312440267211
Energy: 5.002417763568032
Energy: 5.198788826867929
Energy: 5.013762128165798
Energy: 5.0266656914049
Energy: 5.024118477772887
Energy: 5.027446088509925
Energy: 5.005162766074734
Energy: 4.906128583570381
Energy: 5.076820649661845
Energy: 5.014852248637785
Energy: 5.013035693836557
Energy: 5.013952421968399
Energy: 5.365804249818536
Energy: 5.15681204917219
Energy: 5.001139993273194
Energy: 5.011268544221253
Energy: 5.096827142530364
Energy: 5.001386468526313
Energy: 5.123359848994086
Energy: 5.124521455452986
Energy: 4.9798244029911976
Energy: 4.906790401302424
Energy: 4.9107935545066255
Energy: 5.003637463021564
Energy: 5.125882486810554
Energy: 5.161342014033801
Energy: 5.368643256656665
Energy: 5.05765691182712
Energy: 5.118631629996165
Energy: 5.059865705213382
Energy: 5.130368739226492

minimum gb energy = 4.872493363884303 eV
minimum distance =  2.10174662895836 Angstroms
sigma value = 19


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

Energy: 5.069825592321961
Energy: 4.898784830472543
Energy: 5.011885406537563
Energy: 5.012397436514913
Energy: 5.010049943709613
Energy: 4.899033578655264
Energy: 4.944530126880606
Energy: 4.880004158048929
Energy: 4.878911553911634
Energy: 5.010249458474993
Energy: 4.881632542882373
Energy: 4.878224952291381
Energy: 4.860497249943261
Energy: 4.866207776936093
Energy: 4.778225658436442
Energy: 4.774924315108157
Energy: 4.881631992943938
Energy: 4.864709500115889
Energy: 4.878108679895607
Energy: 4.880669987345813
Energy: 4.880568915218465
Energy: 4.879539338004395
Energy: 4.883057484914331
Energy: 4.878600965330984
Energy: 4.780490554365896
Energy: 4.880282000768341
Energy: 4.8794453996520595
Energy: 4.880641271523356
Energy: 4.906576796708382
Energy: 4.8822178202682744
Energy: 4.878124498847391
Energy: 4.880927425719682
Energy: 4.879345258511509
Energy: 4.88271457924385
Energy: 4.8775105617786485
Energy: 4.882045041100387
Energy: 4.883022185242796
Energy: 5.356429861966605
Energy: 5.356097509219137
Energy: 4.8809427637225316
Energy: 5.518493043861102
Energy: 4.879506168494267
Energy: 4.885041302588511
Energy: 4.880682687127196
Energy: 4.881609543855412
Energy: 4.880302897864824
Energy: 4.87950068201313
Energy: 4.878381548969479
Energy: 4.904039576491612
Energy: 4.91155651506344
Energy: 4.882916709594333
Energy: 4.867943861734281
Energy: 4.883762570678077
Energy: 4.910638386307353
Energy: 4.882552659239188
Energy: 4.907811173769316
Energy: 4.881994831523778
Energy: 4.865701020773278
Energy: 4.883404025789156
Energy: 4.878976328511443
Energy: 4.822816122434247
Energy: 4.88345658092566
Energy: 4.8818720541519385
Energy: 4.88422733427315
Energy: 4.880843914317418
Energy: 4.882311969851929
Energy: 4.882242162009444
Energy: 4.879399172779873
Energy: 4.909915285392634
Energy: 4.8649298508056225
Energy: 4.881578876150395
Energy: 4.880132981705822
Energy: 5.012159471603376
Energy: 4.881650109982729
Energy: 4.837277214009162
Energy: 4.83739485341498
Energy: 4.884206572710826
Energy: 4.862805765373643
Energy: 5.0084335972903675
Energy: 4.879196136006518
Energy: 4.881156320852863
Energy: 5.01741793161896
Energy: 4.881437129354403
Energy: 4.865154903629737
Energy: 4.87018558233759
Energy: 4.878596235247341
Energy: 4.864663791981508
Energy: 5.0097628938108345
Energy: 4.866386815530955
Energy: 4.892222042143248
Energy: 4.933641039574889
Energy: 5.423645231470517
Energy: 4.878775323348599
Energy: 5.013049066535832
Energy: 4.880565179589711
Energy: 4.936693999297167
Energy: 4.862782274469946
Energy: 4.864810989604662
Energy: 4.774839746890318
Energy: 4.8932214421873015
Energy: 4.880536301058801
Energy: 4.863164825563137
Energy: 4.882003008904073
Energy: 4.881854225438535
Energy: 4.880217154097905
Energy: 4.931120177564959
Energy: 4.8826948632369644
Energy: 4.882204750563417
Energy: 4.777790834815845
Energy: 4.879975893345819
Energy: 4.877551807024651
Energy: 4.884051650809513
Energy: 4.907330700694445
Energy: 4.879718169610625
Energy: 4.878011652635051
Energy: 5.351119063939949
Energy: 4.8797465837488305
Energy: 4.883745436597504
Energy: 4.881645816254617
Energy: 4.881938200250076
Energy: 4.8793544709587415
Energy: 5.35629706273207
Energy: 5.355034242299359
Energy: 4.88131501030566
Energy: 5.351781642103472
Energy: 4.876950207806909
Energy: 4.884786315184019
Energy: 5.35793051577265
Energy: 4.876911879368414
Energy: 4.881014172847108
Energy: 5.3567567307868975
Energy: 5.356835080929996
Energy: 4.882154110021947
Energy: 4.881734112092388
Energy: 4.88176803440847
Energy: 4.866128582607956
Energy: 4.908936421988233
Energy: 4.882145198685588
Energy: 4.885150395062292
Energy: 4.879541551953957
Energy: 4.879696486898856
Energy: 4.869937071456045
Energy: 4.878819426699413
Energy: 4.8778342016918925
Energy: 4.881712582100741
Energy: 4.879301103198341
Energy: 4.882252790568651
Energy: 4.8815678590003095
Energy: 4.880198984977391
Energy: 4.877138544311232
Energy: 4.822650122419126
Energy: 4.882473772928976
Energy: 4.864699701416132
Energy: 4.868230517019478
Energy: 4.908142850100784
Energy: 4.880684106256153
Energy: 4.863896271531387
Energy: 4.87925970430504
Energy: 4.882019016980284
Energy: 4.835981538984535
Energy: 4.880817363212978
Energy: 4.879005084478469
Energy: 5.008182837884822
Energy: 4.865521393442938
Energy: 4.838204728372189
Energy: 4.836969383827784
Energy: 4.884111572239034
Energy: 5.008276891149352
Energy: 4.885668766628343
Energy: 4.880601420787209
Energy: 4.864989166310324
Energy: 5.008635084623388
Energy: 4.879516121408037
Energy: 4.886362779982379

minimum gb energy = 4.774839746890318 eV
minimum distance =  2.12649101567621 Angstroms
sigma value = 101


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

Energy: 4.9193830743377776
Energy: 4.7184173729009125
Energy: 4.8724200218607825
Energy: 4.870050002575016
Energy: 4.872198160961693
Energy: 4.789135108250824
Energy: 4.754453146480655
Energy: 4.768235416062375
Energy: 4.73808636485073
Energy: 4.747565439806721
Energy: 4.769370836265286
Energy: 4.738610969766045
Energy: 4.749250232249707
Energy: 4.768012593166223
Energy: 4.715680117438023
Energy: 4.717063542715119
Energy: 4.76813113891246
Energy: 4.7695029335125705
Energy: 4.769054375946128
Energy: 4.769033683945991
Energy: 4.767935914894517
Energy: 4.737236899281029
Energy: 4.771237609118994
Energy: 4.770279224798975
Energy: 4.716123347364009
Energy: 4.736930932136662
Energy: 4.748493337046956
Energy: 4.743156751770371
Energy: 4.751514364367882
Energy: 4.714508542856537
Energy: 4.764600207695107
Energy: 4.767715793786377
Energy: 4.739837872586246
Energy: 4.739694166850001
Energy: 4.73708072877733
Energy: 4.770025927463404
Energy: 4.769888322741819
Energy: 5.119726410292311
Energy: 5.139472534251388
Energy: 5.061869980688783
Energy: 5.136725124174829
Energy: 4.766792950567595
Energy: 4.7716122916302375
Energy: 4.765252586053307
Energy: 4.739246324420105
Energy: 4.738511984349621
Energy: 4.735726694408732
Energy: 4.7676878541486465
Energy: 4.769614427229906
Energy: 5.140545630226572
Energy: 5.136972602140332
Energy: 4.742032443270158
Energy: 5.14109973392178
Energy: 5.141423754619956
Energy: 4.7651345382528785
Energy: 4.76676979589863
Energy: 4.738678364865408
Energy: 4.741109261878544
Energy: 5.140458598014006
Energy: 4.768082566673868
Energy: 4.74904849591525
Energy: 4.73856864058232
Energy: 4.738330285851808
Energy: 4.749659730126332
Energy: 4.739793176103342
Energy: 4.743055580173176
Energy: 4.751658401523051
Energy: 4.7420032828315275
Energy: 4.7378790101223744
Energy: 4.739487442293844
Energy: 4.768099239436916
Energy: 4.768534333930799
Energy: 4.770120040913497
Energy: 4.76710127657952
Energy: 4.768010381542065
Energy: 4.721297152575497
Energy: 4.7694873865313205
Energy: 4.770998502007089
Energy: 4.748110333680449
Energy: 4.768250466272315
Energy: 4.737769369623193
Energy: 4.717712589655234
Energy: 4.770055812517883
Energy: 4.751916520108679
Energy: 4.738130684234186
Energy: 4.7364174094165685
Energy: 4.8722076233954015
Energy: 4.870627486942629
Energy: 4.741951633855512
Energy: 4.7384821479047945
Energy: 4.7381644431935275
Energy: 5.3394327998871365
Energy: 4.739390508393817
Energy: 4.876637268677725
Energy: 4.740989502937007
Energy: 4.741223831814239
Energy: 4.874449681657162
Energy: 4.751840199165662
Energy: 4.717409689684324
Energy: 4.691483079883608
Energy: 4.737243689068883
Energy: 4.750284152578733
Energy: 4.875467911341419
Energy: 4.7391963714828025
Energy: 4.752696141832139
Energy: 4.715132364133437
Energy: 4.770426266473414
Energy: 4.739937291830308
Energy: 4.7141951921603145
Energy: 4.770780164585793
Energy: 4.749608418808225
Energy: 4.748642221407521
Energy: 4.769186333005021
Energy: 4.7147893857307865
Energy: 4.720310135858013
Energy: 4.768456256208845
Energy: 4.769033532983916
Energy: 4.766534535755939
Energy: 4.770106644728996
Energy: 4.769468441545478
Energy: 4.738751948888941
Energy: 4.749222066143961
Energy: 4.750570316232438
Energy: 4.716974949154965
Energy: 4.76935594602233
Energy: 4.739967999433196
Energy: 4.74052431135066
Energy: 4.738116245326015
Energy: 4.7694763698813185
Energy: 4.768586379695596
Energy: 4.740258459665452
Energy: 4.741189219352144
Energy: 4.7415598721586685
Energy: 5.122196656969342
Energy: 4.765609010867477
Energy: 4.773913834716949
Energy: 5.118434901830598
Energy: 5.3152152869371525
Energy: 4.736608713858133
Energy: 4.739647599381769
Energy: 5.118603821726187
Energy: 4.770179094036976
Energy: 5.11787725964545
Energy: 4.741100202753795
Energy: 4.738391197277651
Energy: 5.115029023376793
Energy: 5.120737522241944
Energy: 4.7689739265280116
Energy: 5.141443014273437
Energy: 4.735056738196051
Energy: 4.741540958818449
Energy: 5.1394485125787
Energy: 4.7649223164394785
Energy: 4.7678148594918515
Energy: 5.114981575662278
Energy: 5.058696143196887
Energy: 4.736607360438865
Energy: 4.737941381602055
Energy: 4.740602655851511
Energy: 4.752232357213642
Energy: 4.739265302274525
Energy: 4.737538597487556
Energy: 4.740521883690628
Energy: 4.7492965161433505
Energy: 4.742208970633513
Energy: 4.7536301453633625
Energy: 4.738344544227109
Energy: 4.7378709046146765
Energy: 4.717021358068673
Energy: 4.768687675090531
Energy: 4.7722487571260945
Energy: 4.768313039120327
Energy: 4.770217261736424
Energy: 4.769464471558972
Energy: 4.723358414008258
Energy: 4.769370514226678
Energy: 4.7705449408551726
Energy: 4.748250653357401
Energy: 4.750918010360945
Energy: 4.768801102832879
Energy: 4.7495144413466095
Energy: 4.741797382616151
Energy: 4.768565727199234
Energy: 4.736898160807725
Energy: 4.736334573086047
Energy: 4.8735640833166896
Energy: 4.870601185525764
Energy: 4.7526646698532025
Energy: 4.768190565454268
Energy: 4.738436409502269
Energy: 4.736035254127871
Energy: 4.869928288782102
Energy: 4.689206444570618
Energy: 4.769425829788372
Energy: 4.751710758579522
Energy: 4.870860726624326
Energy: 4.739415958807434
Energy: 5.1812850179223195

minimum gb energy = 4.689206444570618 eV
minimum distance =  2.11108869561988 Angstroms
sigma value = 33


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

Energy: 0.03395956883600427
Energy: 0.03782445480770541
Energy: 0.389736896634584
Energy: 0.3904122044843495
Energy: 0.39496057475598817
Energy: 0.035104158642828204
Energy: 0.034384945568101274
Energy: 0.42693123093026863
Energy: 0.4265421882028988
Energy: 0.4325419590977079
Energy: 0.42612469999297237
Energy: 0.4266604887859894
Energy: 2.939001820951995
Energy: 0.38944644992272903
Energy: 0.03590518000934865
Energy: 0.04091768695910535
Energy: 0.39526288749937155
Energy: 0.38981656113356855
Energy: 0.42822710690406063
Energy: 0.42693123093182356
Energy: 0.4265421882013439
Energy: 0.43254195909615295
Energy: 0.4261246999945273
Energy: 0.4266604887859894

minimum gb energy = 0.03395956883600427 eV
minimum distance =  2.2734823329712 Angstroms
sigma value = 1