Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.869337007403374
cohesive_energy=3.206600283772908
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.249087345222446e-19, 1.7906406714574198e-19, 2.22495871340214e-19, 2.59003068122538e-19, 2.89389950162982e-19, 3.1467870615403797e-19, 3.3674548493411997e-19, 3.5623596368673e-19, 3.73893552370044e-19, 3.9127556667230996e-19, 4.08008699437806e-19, 4.2378212839953596e-19, 4.38438840247368e-19, 4.5190994138604e-19, 4.64171399166042e-19, 4.75223213587374e-19, 4.85084610769644e-19, 4.936995145306619e-19, 5.0056804576062e-19, 5.05781528527656e-19, 5.0952421314468e-19, 5.1193548897885e-19, 5.13271704291606e-19, 5.137139050425899e-19, 5.1322363899258595e-19, 5.11610247122148e-19, 5.08630198582908e-19, 5.03991897227478e-19, 4.9734767072628e-19, 4.88274544447938e-19, 4.762630262228399e-19, 4.60693073693628e-19, 4.4079884642925e-19, 4.15641468922182e-19, 3.8405295440623796e-19, 3.44961446713272e-19, 2.9674714526631e-19, 2.3706446347317597e-19, 1.62894900555414e-19, 7.03671171122898e-20, -4.5539467556499e-20, -1.9129508356969798e-19, -3.7527943515845395e-19, -6.120074415384899e-19, -9.18697694995404e-19, -1.31505857030403e-18, -1.8269299722175198e-18, -2.50466671016586e-18, -3.4193653722827997e-18, -4.6991039586903e-18, -6.52263731644374e-18, -1.431234000212004e-17, -3.652161637203e-16]
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: 0.012212212815963944
Energy: 0.08054530591945368
Energy: 0.08185014454032387
Energy: 0.0815775134500858
Energy: 0.01361962591527793
Energy: 0.013307884473460251
Energy: 0.08056843496474124
Energy: 0.08188416932687428
Energy: 0.08135108059672799
Energy: 0.013360405810043054
Energy: 0.0812857594105319
Energy: 0.08063758260401316
Energy: 0.08137316348663458
Energy: 0.08177779796205119
Energy: 0.08149466696485279
Energy: 0.08159601467397873
Energy: 0.08096375211508974
Energy: 0.08114526821399574
Energy: 0.08147182810485049
Energy: 0.08223631311831994
Energy: 0.08216963412145288
Energy: 0.013555064511709864
Energy: 0.012700287069028742
Energy: 0.08091947382422304
Energy: 0.08104560713284659
Energy: 0.08233794692023917
Energy: 0.013259604617993427
Energy: 0.012567023165732688
Energy: 0.08090990842042356
Energy: 0.08174691080546395
Energy: 0.08146003578364447
Energy: 0.012932598977149146
Energy: 0.012827193159090268
Energy: 0.08030347734651867
Energy: 0.08133053120539571
Energy: 0.08159691063341114
Energy: 0.013151997611543734
Energy: 0.0128207445457391
Energy: 0.08026014247777674
Energy: 0.08124451346000204
Energy: 0.08125690493049459
Energy: 0.08162727512030395
Energy: 0.08046218519765903
Energy: 0.01306678244890813
Energy: 0.013139269460415373
Energy: 0.08087019446890754
Energy: 0.08216054167221777
Energy: 0.08061221889022527
Energy: 0.013081736460576076
Energy: 0.08056637173393663
Energy: 0.0802061540820616
Energy: 0.08062216329808779
Energy: 0.08155291702028414
Energy: 0.01301917123161641
Energy: 0.013945571556948162
Energy: 0.08036819833034643
Energy: 0.080535405185724
Energy: 0.08178758063055531
Energy: 0.013022886564748145
Energy: 0.014252945264945643
Energy: 0.014447243038799889
Energy: 0.08118362355522243
Energy: 0.08155772664364469
Energy: 0.08154416288994906
Energy: 0.08115881636078061
Energy: 0.014368803005176293
Energy: 0.08122285994131383
Energy: 0.08154055228778609
Energy: 0.0820076226747848
Energy: 0.08096422795140593

minimum gb energy = 0.012212212815963944 eV
minimum distance =  2.70333533174096 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.1678525800218884
Energy: 0.8007351576571684
Energy: 0.8083396420679164
Energy: 0.8091749014729614
Energy: 0.7921876477786263
Energy: 0.8727655409497261
Energy: 0.7947703475913341
Energy: 0.8090928993864795
Energy: 0.8083460377648939
Energy: 0.7861326662598945
Energy: 0.8104108992281029
Energy: 0.8484471957603112
Energy: 0.8131870291451032
Energy: 0.7192179372938124
Energy: 0.7072205960337185
Energy: 0.6979597214008342
Energy: 0.8729476084521749
Energy: 0.8081972104288616
Energy: 0.7155262757004449
Energy: 0.7050446772778366
Energy: 0.7294649739518542
Energy: 0.8339706410005845
Energy: 0.6868780793574215
Energy: 0.7805875380114464
Energy: 0.6971503003754005
Energy: 0.6963272446690837
Energy: 0.6825550527597971
Energy: 0.6906993053811317
Energy: 0.6975571837706769
Energy: 0.7009974537832449
Energy: 0.7523276178998692
Energy: 0.805168113826363
Energy: 0.8792637422250059
Energy: 0.7008031406678606
Energy: 0.7213160667736939
Energy: 0.6969179045561021
Energy: 0.8061161707609674
Energy: 0.8873761661570436
Energy: 0.7615325968007358
Energy: 0.7018161824861081
Energy: 0.8414542065917379
Energy: 0.800501969473581
Energy: 0.8534497923854508
Energy: 0.7288823538822115
Energy: 0.7264431784863484
Energy: 0.8683614986558458
Energy: 0.7986531750648969
Energy: 0.9021535990433105
Energy: 0.8844089198516316
Energy: 0.732431026312413
Energy: 0.7947555047943189
Energy: 0.7894619524847576
Energy: 0.8527392846186798
Energy: 0.7282104665997255
Energy: 0.8634477223672304
Energy: 0.795005511745389
Energy: 0.7900285887494443
Energy: 0.8591134489030193
Energy: 0.7267767535289674
Energy: 0.8525157817703152
Energy: 0.8262507487261034
Energy: 0.8427569807887332
Energy: 0.8810403665165801
Energy: 0.8315521006381701
Energy: 0.8197056124678853
Energy: 0.816875722461165
Energy: 0.813411507285775
Energy: 0.8098861338500106
Energy: 0.7366975737993545
Energy: 0.826070910639498
Energy: 0.8262629235329931
Energy: 0.8149985986295287
Energy: 0.8743874263966295
Energy: 0.8376825980690797
Energy: 0.8272255358093368
Energy: 0.8215822945806833
Energy: 0.8158464815972224
Energy: 0.870811335107622
Energy: 0.808634856679742
Energy: 0.8204816016601484
Energy: 0.8302757709276559
Energy: 0.7255084763028364
Energy: 0.7394127918332203
Energy: 0.8379676481227587
Energy: 0.8336357094112691
Energy: 0.8206655216837118
Energy: 0.7336189903453442
Energy: 0.7395626602837033
Energy: 0.881931549111479
Energy: 0.828627921094612
Energy: 0.6816262034340288
Energy: 0.7347264029562143
Energy: 0.7316694306536795
Energy: 0.7856227615752603
Energy: 0.8077001006565584
Energy: 0.7740695346602147
Energy: 0.7641463818137196
Energy: 0.7267855906429778
Energy: 0.7679306038754786
Energy: 0.6816327114985675
Energy: 0.8394947678681166
Energy: 0.7245539180103708
Energy: 0.7308654086181814
Energy: 0.7259548241684438
Energy: 0.689152675941965
Energy: 0.8191889598357144
Energy: 0.724787361604158
Energy: 0.764547763846979
Energy: 0.7788552377019421
Energy: 0.6811829207941166
Energy: 0.8736102664687808
Energy: 0.7290651983957469
Energy: 0.7298413269663968
Energy: 0.8173491266380111
Energy: 0.8056404003300698
Energy: 0.8646281260456234
Energy: 0.695446319463109
Energy: 0.7015901103761835
Energy: 0.8215642686284297
Energy: 0.8124983797599925
Energy: 0.6975422026525635
Energy: 0.7032427574378496
Energy: 0.8757499793990015
Energy: 0.7935382567095423
Energy: 0.8681226383824964
Energy: 0.6975835789651389
Energy: 0.7809071905100335
Energy: 0.8113324761867232
Energy: 0.7937397316029189
Energy: 0.8711470816400714
Energy: 0.8071147244824673
Energy: 0.7061121727902568
Energy: 0.8046981317680798
Energy: 0.800851031766832
Energy: 0.8138201303171008
Energy: 0.6962147007112485
Energy: 0.7086349958486644
Energy: 0.8085856245287201
Energy: 0.8001701748219128
Energy: 0.90681993239691
Energy: 0.8166307947427944
Energy: 0.7919387772293203
Energy: 0.8092847819727305
Energy: 0.7933070410314292
Energy: 0.7936590528095269
Energy: 0.8053186807552606
Energy: 0.7934741778922916
Energy: 0.8080394571124168
Energy: 0.8081989312871178
Energy: 0.7948963141113641
Energy: 0.7406278617870933
Energy: 0.8701720257224937
Energy: 0.8117118426842499
Energy: 0.8089093685136048
Energy: 0.7050040969678126
Energy: 0.6975990563254556
Energy: 0.8682589614156947
Energy: 0.8080865486870819
Energy: 0.8111976257525166
Energy: 0.7064558320100691
Energy: 0.7271276869259136
Energy: 0.8181309282146967
Energy: 0.68755555565089
Energy: 0.7797409066341623
Energy: 0.6978251439422688
Energy: 0.6957636400893141
Energy: 0.777389129742031
Energy: 0.6897612499425306
Energy: 0.70173135865625
Energy: 0.7008701991954956
Energy: 0.7527278713309847
Energy: 0.6897378612803593
Energy: 0.8175437120515807
Energy: 0.6996054796217979
Energy: 0.742824269607818
Energy: 0.6953524169775549
Energy: 0.688160156309834
Energy: 0.7776106042561783
Energy: 0.7604808369959255
Energy: 0.7604490140288711
Energy: 0.8812555432360899
Energy: 0.8011559659344184
Energy: 0.8526489700786678
Energy: 0.8491374947259811
Energy: 0.7812459691722193
Energy: 0.8744307683540343
Energy: 0.7952184766780789
Energy: 0.9040046205086834
Energy: 0.7285540217968599
Energy: 0.7391410891783051
Energy: 0.8698413202134435
Energy: 0.818896771006045
Energy: 0.8525091144575813
Energy: 0.7276530057300042
Energy: 0.8635039431692243
Energy: 0.8702447410375708
Energy: 0.8179763891677111
Energy: 0.8578394421697958
Energy: 0.8470628802017469
Energy: 0.8529395916204254
Energy: 0.8274106500199429
Energy: 0.8116228695046799
Energy: 0.8715095434477182
Energy: 0.7352556358681197
Energy: 0.8167746829066338
Energy: 0.8174383002372604
Energy: 0.8149118021444435
Energy: 0.8095023810253719
Energy: 0.7355859140241768
Energy: 0.8264234578529162
Energy: 0.8267778165160157
Energy: 0.8287785704327565
Energy: 0.7756868869010829
Energy: 0.7531810108686028
Energy: 0.8261701477352194
Energy: 0.8188392342745283
Energy: 0.818346355816758
Energy: 0.7082757017462624
Energy: 0.7494044934646131
Energy: 0.8371814154318883
Energy: 0.828023405611071
Energy: 0.7247162758247924
Energy: 0.7408763739284996
Energy: 0.8871959960142268
Energy: 0.8332248443406134
Energy: 0.8238572246668758
Energy: 0.7331000696913674
Energy: 0.740449111780732
Energy: 0.80898073836816
Energy: 0.8281863561793015
Energy: 0.7403004938100998
Energy: 0.7314012108271126
Energy: 0.7329080797961092
Energy: 0.7707545116322763
Energy: 0.7981205490203893
Energy: 0.7184270071107803
Energy: 0.763436422794928
Energy: 0.727807292310711
Energy: 0.698999432656661
Energy: 0.6808711814716539
Energy: 0.8429100767637648
Energy: 0.7245210338374626
Energy: 0.726897130458671
Energy: 0.7746744717258995
Energy: 0.6888882078215832
Energy: 0.7518903389490581
Energy: 0.7258658318604683
Energy: 0.731826015634236
Energy: 0.8089532153250104
Energy: 0.6813701069168923
Energy: 0.8731656673937827
Energy: 0.7381846984977947
Energy: 0.7374499219155669
Energy: 0.8160647039889821
Energy: 0.804685612777081
Energy: 0.8473029450956949
Energy: 0.6965888744344859
Energy: 0.7582722690534976
Energy: 0.8227776969430529
Energy: 0.8106948465638338
Energy: 0.6981326636104627
Energy: 0.8344150804153002
Energy: 0.8770684145166089
Energy: 0.8046342719711826
Energy: 0.8717106937800814
Energy: 0.6973593875934369
Energy: 0.7832040966799347
Energy: 0.812931113656344
Energy: 0.7886427183563887
Energy: 0.8701369456526337
Energy: 0.8096801445971433
Energy: 0.7035181389071257
Energy: 0.8066696292341581
Energy: 0.7953578682888783
Energy: 0.8413445644072823
Energy: 0.6964487836712999
Energy: 0.8212191727389189
Energy: 0.8105345746365525
Energy: 0.7955687675886486
Energy: 0.8485538604578602
Energy: 0.7871867966286308
Energy: 0.7920076916078359
Energy: 0.8091558556161422
Energy: 0.7944188941998733
Energy: 0.7933728027799463
Energy: 0.8036382176493422
Energy: 0.7911652354635322
Energy: 0.8077461881931778
Energy: 0.8101776164651425
Energy: 0.8787648318042443

minimum gb energy = 0.6808711814716539 eV
minimum distance =  2.47392093731992 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.4283971776396753
Energy: 0.778470721631498
Energy: 0.7907835171351129
Energy: 0.793913192095146
Energy: 0.7597343681744473
Energy: 0.8428490372210478
Energy: 0.7682866180133912
Energy: 0.7767000660468342
Energy: 0.8021599434489602
Energy: 0.9243007827321013
Energy: 0.828645754951697
Energy: 0.7359624155328581
Energy: 0.8013669644575394
Energy: 0.798019734598083
Energy: 0.7525265946382564
Energy: 0.7968296096617419
Energy: 0.7177356910421766
Energy: 0.8148376963507626
Energy: 0.8348549323911042
Energy: 0.7712655038019515
Energy: 0.8312982632382913
Energy: 0.7979346240749146
Energy: 0.7998696168333415
Energy: 0.7922675316835047
Energy: 0.7970297541722969
Energy: 0.7450960967675627
Energy: 0.7736465018158695
Energy: 0.7964488445858227
Energy: 0.7628571539769264
Energy: 0.7966417086202662
Energy: 0.7511998413974563
Energy: 0.7706901478043405
Energy: 0.7773453526385393
Energy: 0.756323153359009
Energy: 0.7998819949416861
Energy: 0.7814035021205853
Energy: 0.7579297507739929
Energy: 0.7114835072110007
Energy: 0.7852659083317591
Energy: 0.799747233621566
Energy: 0.7355852425890315
Energy: 0.750191974662275
Energy: 0.7368931674326002
Energy: 0.914475459327886
Energy: 0.7177732505789484
Energy: 0.7469552269505754
Energy: 0.7348209931781237
Energy: 0.7224771899022484
Energy: 0.7143547360785686
Energy: 0.7876849214222816
Energy: 0.769459654785143
Energy: 0.8473459800359378
Energy: 0.7878716835099281
Energy: 0.8242454764222119
Energy: 0.8091620615260424
Energy: 0.7538591360824097
Energy: 0.8425165361621457
Energy: 0.7914207386466551
Energy: 0.8290045017925485
Energy: 0.8154182388983687
Energy: 0.7427282681497464
Energy: 0.7930992604137864
Energy: 0.762857830982258
Energy: 0.7515461910457806
Energy: 0.7914864357547546
Energy: 0.7396548595157594
Energy: 0.8330151786391901
Energy: 0.7633676499480293
Energy: 0.8405768701766361
Energy: 0.7716596546147331
Energy: 0.7986701133509522
Energy: 0.766632606241354
Energy: 0.7898234736401593
Energy: 0.7985346334436497
Energy: 0.7738101407969367
Energy: 0.7984747710750003
Energy: 0.7470722309759222
Energy: 0.7726496696680373
Energy: 0.9323221753059878
Energy: 0.7380928643533492
Energy: 0.7975189665713838
Energy: 0.725186576467708
Energy: 0.7431171641282415
Energy: 0.7525458343755224
Energy: 0.7612311326348047
Energy: 0.7984170903360569
Energy: 0.7677474159110776
Energy: 0.7301396328059118
Energy: 0.7402879309763473
Energy: 0.8249126946948031
Energy: 0.7853075387985651
Energy: 0.7734528967890333
Energy: 0.7378944483867589
Energy: 0.7910090176683265
Energy: 0.9080180147226753
Energy: 0.7952984189736827
Energy: 0.7663245357268015
Energy: 0.7811478600807361
Energy: 0.7833374114883858
Energy: 0.9225200175794561
Energy: 0.8071046865499741
Energy: 0.750799459579824
Energy: 0.8414608948287571
Energy: 0.7917867476945504
Energy: 0.8217254343858384
Energy: 0.8151078362844586
Energy: 0.7638030737152935
Energy: 0.7662916454265924
Energy: 0.7846399783129016
Energy: 0.9049783843189513
Energy: 0.7043788460212453
Energy: 0.7259945032708248
Energy: 0.802958388746647
Energy: 0.7233062014538841
Energy: 0.8802870524443662
Energy: 0.7638429212290564
Energy: 0.7793343535899767
Energy: 0.8231933295969059
Energy: 0.7610461394612963
Energy: 0.7473647934946064
Energy: 0.7035125551880811
Energy: 0.7900539493170022
Energy: 0.7880582504762312
Energy: 0.801047316224798
Energy: 0.7809433132075492
Energy: 0.7297627054686703
Energy: 0.7893814857382595
Energy: 0.8245005495184479
Energy: 0.801252264012348
Energy: 0.8023310491430108
Energy: 0.7463000611747773
Energy: 0.7040278825386385
Energy: 0.7617313626520846
Energy: 0.7471922386907698
Energy: 0.7378357141650042
Energy: 0.8392652769701094
Energy: 0.7389533843562268
Energy: 0.7701758665005365
Energy: 0.7677009433126666
Energy: 0.7813485714950337
Energy: 0.9364354364458474
Energy: 0.7530057946445213
Energy: 0.7516524953791881
Energy: 0.7437040279910765
Energy: 0.7429269186618676
Energy: 0.8064515140016425
Energy: 0.8041334737070543
Energy: 0.7699078012499628
Energy: 0.7606906114476385
Energy: 0.8029913373327476
Energy: 0.833543087569619
Energy: 0.808715937101166
Energy: 0.7272181673428784
Energy: 0.7529983932641637
Energy: 0.7979558584147692
Energy: 0.9202245058402108
Energy: 0.8010464573046662
Energy: 0.7569405147464898
Energy: 0.7664711609062739
Energy: 0.7934836230506139
Energy: 0.801606705739923
Energy: 0.750901430269127
Energy: 0.7438887519462943
Energy: 0.8087177877108223
Energy: 0.7826587126052319
Energy: 0.7469583706772285
Energy: 0.7343935695818572
Energy: 0.754642232493115
Energy: 0.7669965231987315
Energy: 0.7950515881076021
Energy: 0.8195643672268561
Energy: 0.7927397389424691
Energy: 0.8021270082397307
Energy: 0.8172787932409988
Energy: 0.7969345926444104
Energy: 0.8133001640084847
Energy: 0.7934705279261464
Energy: 0.8030307849334106
Energy: 0.8031580144028714
Energy: 0.7949381058132479
Energy: 0.7469465106156677
Energy: 0.7882973204315854
Energy: 0.7493890799574545
Energy: 0.7595700872937011
Energy: 0.7045639983153485
Energy: 0.7600473726552927
Energy: 0.7912955069837042
Energy: 0.7330853656467661
Energy: 0.7954677170063581
Energy: 0.7637843467460326
Energy: 0.8265653051364699
Energy: 0.9162509590655179
Energy: 0.7819927120900686
Energy: 0.8373845847143027
Energy: 0.7654846128053842
Energy: 0.8312278547352099
Energy: 0.9218940326512316
Energy: 0.8035925624461575
Energy: 0.8425973074174161
Energy: 0.7633564928814813
Energy: 0.7869907298821308
Energy: 0.9115645705937008
Energy: 0.789709373553788
Energy: 0.7565721709830988
Energy: 0.7760982315022841
Energy: 0.7276115174108656
Energy: 0.7683510027642966
Energy: 0.7470765086582876
Energy: 0.7508082980631192
Energy: 0.7491169365928523
Energy: 0.7932798998888378
Energy: 0.8208026059222382
Energy: 0.7241597949674815
Energy: 0.7972567911148934
Energy: 0.8096881479820678
Energy: 0.7972235477435412
Energy: 0.7668341319206909
Energy: 0.7058665367754975
Energy: 0.7628106787134891
Energy: 0.7496848967134191
Energy: 0.7972069829405979
Energy: 0.7883247433372098
Energy: 0.8016034918224467
Energy: 0.7935181816356268
Energy: 0.8313278708630134
Energy: 0.8156187475913257
Energy: 0.7770687128073036
Energy: 0.8076828156308287
Energy: 0.7928219539905794
Energy: 0.7854711712085641
Energy: 0.7064913032367154
Energy: 0.7600152285883618
Energy: 0.8106340525329166
Energy: 0.723412336244535
Energy: 0.7690678592023569
Energy: 0.7067502567180257
Energy: 0.774851530877339
Energy: 0.7378060356783492
Energy: 0.7032348979201617
Energy: 0.7599074388987992
Energy: 0.7445917089650604
Energy: 0.8054466099753846
Energy: 0.9054842820059346
Energy: 0.7674313941862398
Energy: 0.8463045299753634
Energy: 0.762799734867409
Energy: 0.8244343487266454
Energy: 0.7731116259264281
Energy: 0.7413680315028155
Energy: 0.8475547162288822
Energy: 0.7252679920795455
Energy: 0.705216875394459
Energy: 0.8145635022912902
Energy: 0.7082112351609506
Energy: 0.7499589185239252
Energy: 0.7318398470055029
Energy: 0.7274531282087443
Energy: 0.8122938133973008
Energy: 0.7097137089882417
Energy: 0.7477899363241162
Energy: 0.7847354713552319
Energy: 0.7967457072287695
Energy: 0.757720348144653
Energy: 0.7250097758053125
Energy: 0.7532790943961768
Energy: 0.8007220361897902
Energy: 0.7962007891000004
Energy: 0.7079717653156109
Energy: 0.789100165411496
Energy: 0.7246427848768267
Energy: 0.8034282858721008
Energy: 0.8128967135900479
Energy: 0.7903824052130454
Energy: 0.7898092516888067
Energy: 0.7696868763481461
Energy: 0.8118798484040829
Energy: 0.8885441726499388
Energy: 0.7952055906833205
Energy: 0.7994078576254194
Energy: 0.7712131219309055
Energy: 0.8574305467120256
Energy: 0.7281477781146768
Energy: 0.7072739608811088
Energy: 0.7051843180369268
Energy: 0.7232307453466527
Energy: 0.7540620257667519
Energy: 0.7492475118476695
Energy: 0.9266952842805444
Energy: 0.7259034723886048
Energy: 0.7265466210925576
Energy: 0.8342344784276731
Energy: 0.7992001554280704
Energy: 0.8273467210519638
Energy: 0.8474722782526288
Energy: 0.7700758662449058
Energy: 0.8379443909530093
Energy: 0.8238604009134378
Energy: 0.834607320660059
Energy: 0.8310164830206139
Energy: 0.9109167901653018
Energy: 0.796090170049861
Energy: 0.7267649677089565
Energy: 0.726541578486881
Energy: 0.8379419320600858
Energy: 0.7319433366627665
Energy: 0.815709550426806
Energy: 0.729937333778555
Energy: 0.7465405994183397
Energy: 0.7049564116639665
Energy: 0.7311641897243946
Energy: 0.7252462103468545
Energy: 0.7893340055365562
Energy: 0.8000432673054164
Energy: 0.7604714131960595
Energy: 0.7972774925881637
Energy: 0.7769162715994175
Energy: 0.7736619563139332
Energy: 0.7965385482118614
Energy: 0.7834004653171498
Energy: 0.7964853131324923
Energy: 0.7358472288326912
Energy: 0.7344891127837725
Energy: 0.7257466905832965
Energy: 0.8282851191051632
Energy: 0.7994915667665872
Energy: 0.7463301505508066
Energy: 0.7070831135749273
Energy: 0.7216857535158838
Energy: 0.7658494281014597
Energy: 0.799571876619768
Energy: 0.7032180937149983
Energy: 0.7322017178882645
Energy: 0.7071425492093938
Energy: 0.9269687712684702
Energy: 0.7807707464109849
Energy: 0.7396779167366151
Energy: 0.7506777859614938
Energy: 0.7929285315558572
Energy: 0.9036466638309738
Energy: 0.7095416771173536
Energy: 0.7447568198878475
Energy: 0.8528339552250251
Energy: 0.7959945048450716
Energy: 0.7980792073472813
Energy: 0.8117199596944012
Energy: 0.7656132309340844
Energy: 0.8458594654561112
Energy: 0.8169845165064441
Energy: 0.8176463248427785
Energy: 0.8102704508487214
Energy: 0.7052749619850942
Energy: 0.8032110916738139
Energy: 0.7080430135231394
Energy: 0.7676645297575115
Energy: 0.7568172596636947
Energy: 0.7281217565740531
Energy: 0.7973062493986333
Energy: 0.7427923317909041
Energy: 0.814253447175373
Energy: 0.7060427910335151
Energy: 0.7988634580732531
Energy: 0.7418115517241016
Energy: 0.7765703178476524
Energy: 0.7986578156463026
Energy: 0.7229958843280737
Energy: 0.7987456915695829
Energy: 0.8193485137230402
Energy: 0.7750807265050154
Energy: 0.7989682784393376
Energy: 0.7273798081593148
Energy: 0.7972399216269525
Energy: 0.7679994128715776
Energy: 0.7683064103322826
Energy: 0.7046968463790514
Energy: 0.8191157297513014
Energy: 0.7982184601087731
Energy: 0.7673611033055858
Energy: 0.7837484396745654
Energy: 0.7231564050342064
Energy: 0.7357646849404551
Energy: 0.7050290990536773
Energy: 0.7639743464665874
Energy: 0.7612116068910582
Energy: 0.7679926947761819
Energy: 0.9118847562373574
Energy: 0.7267208864161436
Energy: 0.7726710514009292
Energy: 0.751990984956868
Energy: 0.814887460655386
Energy: 0.9176307172229888
Energy: 0.8350848501162921
Energy: 0.7637442935926875
Energy: 0.7637462617358236
Energy: 0.8071080194770096
Energy: 0.8329491031227857
Energy: 0.8192492047693033
Energy: 0.7657332551385829
Energy: 0.7698364555390136
Energy: 0.8065520711961491
Energy: 0.9142523414478744
Energy: 0.7467680211805107
Energy: 0.7391503158695729
Energy: 0.8257071410458843
Energy: 0.7297991891215603
Energy: 0.9104455208266358
Energy: 0.7339632209923982
Energy: 0.7289913256269369
Energy: 0.8355078428798044
Energy: 0.7255263796766378
Energy: 0.8330799639493538
Energy: 0.7766977448088375
Energy: 0.7905292596090107
Energy: 0.822991249652219
Energy: 0.8009945556590548
Energy: 0.8121307139111372
Energy: 0.735091797107943
Energy: 0.7894995053643078
Energy: 0.848338235510009
Energy: 0.8012646223446165
Energy: 0.8281301874904653
Energy: 0.7945336978908364
Energy: 0.7826201887929839
Energy: 0.7735907934049289
Energy: 0.726140588706346
Energy: 0.7361776029463079
Energy: 0.8499411931811798
Energy: 0.7057983071564019
Energy: 0.762979608288084
Energy: 0.7459839260723444
Energy: 0.7504426342526772
Energy: 0.9253739496946967
Energy: 0.8073398106411281
Energy: 0.7726231461789556
Energy: 0.7629650017351389
Energy: 0.8206060920437475
Energy: 0.8322312139676823
Energy: 0.752079376987086
Energy: 0.8424823569380593
Energy: 0.744891787402567
Energy: 0.7517473036907475
Energy: 0.8385898286240294
Energy: 0.8004122327506614
Energy: 0.762196777401769
Energy: 0.7686185914350511
Energy: 0.7960936997021475
Energy: 0.9101877053995888
Energy: 0.7729282947696635
Energy: 0.726997621397858
Energy: 0.7727735875618478
Energy: 0.751450963629538
Energy: 0.8010923818013752
Energy: 0.8129751186601888
Energy: 0.7525700782847925
Energy: 0.8167316667619312
Energy: 0.8017120901892846
Energy: 0.7811230033708755
Energy: 0.7390184290745409
Energy: 0.7274754866380988
Energy: 0.723689853095438
Energy: 0.7954136536835308
Energy: 0.7648168160500224
Energy: 0.7929544763289416
Energy: 0.8033296895977459
Energy: 0.8366687053439047
Energy: 0.795420552527428
Energy: 0.8147121200026614
Energy: 0.7938421889820688
Energy: 0.8040356855590428
Energy: 0.8100703933113665
Energy: 0.7949361388262652
Energy: 0.7040873415782078
Energy: 0.8124193780375863
Energy: 0.763135565699383
Energy: 0.7461235651344253
Energy: 0.7590065305680127
Energy: 0.780180338714544
Energy: 0.7291133843637098
Energy: 0.737573974768479
Energy: 0.75611332993682
Energy: 0.7263056631912143
Energy: 0.7881282539114505
Energy: 0.8930275894337325
Energy: 0.7774996814230793
Energy: 0.8542245334409109
Energy: 0.764460846611333
Energy: 0.7935348673331646
Energy: 0.8989629540664288
Energy: 0.7946087310119654
Energy: 0.8449642426054023
Energy: 0.7516226521192455
Energy: 0.8064731699177922
Energy: 0.9229415551765241
Energy: 0.7843929088167775
Energy: 0.7796809949201228
Energy: 0.768888536757042
Energy: 0.8069394771967268
Energy: 0.8228783450584785
Energy: 0.7784438245273527
Energy: 0.7371937413250931
Energy: 0.7323408907370001
Energy: 0.7924888641295664
Energy: 0.7973832393997927
Energy: 0.7401423091990408
Energy: 0.8250037801969267
Energy: 0.8087680718085238
Energy: 0.7972947465994432
Energy: 0.7686966134177639
Energy: 0.7551300230720364
Energy: 0.7495157209413851
Energy: 0.7257838951696206
Energy: 0.7938877979968265
Energy: 0.8018531030874869
Energy: 0.7898101566643512
Energy: 0.7933830020565928
Energy: 0.8264478359048261
Energy: 0.8105661554265392
Energy: 0.7397704615052973
Energy: 0.7900854844488864
Energy: 0.7921079573052419
Energy: 0.8207445055933211
Energy: 0.7433835879481896
Energy: 0.7450229800306293
Energy: 0.7293522325939336
Energy: 0.7710713496267989
Energy: 0.8955477082560709
Energy: 0.74063181211557
Energy: 0.8283009936649736
Energy: 0.7440121833475704
Energy: 0.7573031486879823
Energy: 0.7924577846686877
Energy: 0.7691202601004989
Energy: 0.8039563764765628
Energy: 0.9159921903981109
Energy: 0.7922856912303364
Energy: 0.8411478712225731
Energy: 0.7659568393877628
Energy: 0.8086661758037866
Energy: 0.8093551185466498
Energy: 0.7664951259813774
Energy: 0.8413570140597855
Energy: 0.7579733492497732
Energy: 0.801367334441081
Energy: 0.7711565262467083
Energy: 0.7745231686164032
Energy: 0.7340393504922765
Energy: 0.7431077409433607
Energy: 0.7181276997917714
Energy: 0.799200984528101
Energy: 0.7388819785430084
Energy: 0.7618704417307285
Energy: 0.8160341424997302
Energy: 0.7969614884235553
Energy: 0.7228969319150645
Energy: 0.7130880845204309
Energy: 0.7589171258857151
Energy: 0.8289921339381497
Energy: 0.7963189534059392
Energy: 0.7882866031665025
Energy: 0.7355762178711676
Energy: 0.7227076971036731
Energy: 0.762927660688867
Energy: 0.8131265072909435
Energy: 0.819048385368635
Energy: 0.7897148892919637
Energy: 0.721265184742489
Energy: 0.7933861439679923
Energy: 0.8885539053060669
Energy: 0.7854659863287755
Energy: 0.7990600886275271
Energy: 0.7446822217589292
Energy: 0.874179803682535
Energy: 0.8210891746373883
Energy: 0.8112744938893123
Energy: 0.7834488578662402
Energy: 0.7639996651810174
Energy: 0.7279585354167862
Energy: 0.7507618972814285
Energy: 0.8867424407261696
Energy: 0.7868077306581431
Energy: 0.7860312194712222

minimum gb energy = 0.7032180937149983 eV
minimum distance =  2.46172502266757 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

Energy: 1.4042539580327755
Energy: 0.7681243027614497
Energy: 0.7662269693550211
Energy: 0.7610846816190597
Energy: 0.7653220145783874
Energy: 0.8192327125392032
Energy: 0.7577294849354075
Energy: 0.7652036267456788
Energy: 0.7664100477042946
Energy: 0.7686288586993932
Energy: 0.7832582945524046
Energy: 0.7757670960690585
Energy: 0.7633981528587611
Energy: 0.7617715107528383
Energy: 0.7595764257135779
Energy: 0.7701502054040157
Energy: 0.768090548439689
Energy: 0.7657382010064873
Energy: 0.7651873205763764
Energy: 0.7771177235678466
Energy: 0.7738187662598951
Energy: 0.765268952440428
Energy: 0.83671152245957
Energy: 0.7610607265813646
Energy: 0.7682927347368076
Energy: 0.7552417321249129
Energy: 0.7688768584599734
Energy: 0.8304337858804673
Energy: 0.7663783227284078
Energy: 0.7922601339779491
Energy: 0.7648112215899965
Energy: 0.7618625571177734
Energy: 0.7760060333048026
Energy: 0.7550353817879919
Energy: 0.7577634009745726
Energy: 0.7778493553812054
Energy: 0.7655558222024829
Energy: 0.763531939554432
Energy: 0.7651167292499954
Energy: 0.7601312634860173
Energy: 0.7772700410724104
Energy: 0.7790277166164516
Energy: 0.765459222137321
Energy: 0.7667009483677859
Energy: 0.7601568788642301
Energy: 0.761767889678764
Energy: 0.7710683562542863
Energy: 0.7743632860092575
Energy: 0.7657605700349822
Energy: 0.7711419662096688
Energy: 0.7684812109199558
Energy: 0.7741168524739312
Energy: 0.763842294762676
Energy: 0.7687729128203773
Energy: 0.7637359542412534
Energy: 0.7753735838244287
Energy: 0.7804839230166538
Energy: 0.7663347119565548
Energy: 0.7699309225448459
Energy: 0.7657687976157299
Energy: 0.7751033026783078
Energy: 0.7764130645373698
Energy: 0.7768424051496059
Energy: 0.7658949329684989
Energy: 0.7711824078405931
Energy: 0.7972521315088232
Energy: 0.770072803839945
Energy: 0.7767736014134412
Energy: 0.7666487254311493
Energy: 0.7706756748284082
Energy: 0.7845132422352878
Energy: 0.7848764888632287
Energy: 0.8392558485520757
Energy: 0.8192234676390687
Energy: 0.8469971925595198
Energy: 0.7568710090257389
Energy: 0.7849064161051013
Energy: 0.7760185673482932
Energy: 0.819739827194632
Energy: 0.8020260582858665
Energy: 0.8045444863972239
Energy: 0.8071434812079235
Energy: 0.7842501293633107
Energy: 0.7766688717585958
Energy: 0.7784175307282974
Energy: 0.7678702025556556
Energy: 0.8189383642637418
Energy: 0.7845314788534679
Energy: 0.7763892181856992
Energy: 0.7773236674584652
Energy: 0.7912666446270646
Energy: 0.8020902443563726
Energy: 0.7590926494240151
Energy: 0.7758871307407811
Energy: 0.7827593794864719
Energy: 0.7853370572797541
Energy: 0.7696080090799124
Energy: 0.772149069468876
Energy: 0.7756146311831945
Energy: 0.7841085289172203
Energy: 0.7956696315885247
Energy: 0.7739826289491285
Energy: 0.7730760343827505
Energy: 0.7729547109808201
Energy: 0.76895965272451
Energy: 0.772727112371408
Energy: 0.7643800974624292
Energy: 0.7729219129480015
Energy: 0.7765809818890921
Energy: 0.7687838406543641
Energy: 0.7799777748745144
Energy: 0.7806696800537629
Energy: 0.7878203736932636
Energy: 0.7813452906083037
Energy: 0.7931907497000643
Energy: 0.7796746158247305
Energy: 0.7805242918098876
Energy: 0.7878565628887717
Energy: 0.7827971468581018
Energy: 0.811199750887293
Energy: 0.7688008505686348
Energy: 0.7594687163854303
Energy: 0.7749826516599229
Energy: 0.80770816657591
Energy: 0.7948941972499917
Energy: 0.7694603786722732
Energy: 0.7775294109954857
Energy: 0.7743295029710852
Energy: 0.8039612493586337
Energy: 0.7915302763385853
Energy: 0.7779447974779496
Energy: 0.7680713356396748
Energy: 0.7852747749969894
Energy: 0.7650933270595461
Energy: 0.7735660046902583
Energy: 0.7793555054260659
Energy: 0.7673631290910764
Energy: 0.7775945704264663
Energy: 0.783862459549065
Energy: 0.7737370823339011
Energy: 0.7786797005459467
Energy: 0.8295439379855282
Energy: 0.7727352023420667
Energy: 0.7643192468687252
Energy: 0.778494464102958
Energy: 0.8134357629792716
Energy: 0.79870600611329
Energy: 0.7729933842620451
Energy: 0.7643323664793344
Energy: 0.7741178438721587
Energy: 0.8015048461153096
Energy: 0.8407022833072308
Energy: 0.763945642124512
Energy: 0.7728542053984805
Energy: 0.8406682287044078
Energy: 0.803615986108321
Energy: 0.8404199938281665
Energy: 0.7636352872536533
Energy: 0.8317449365752514
Energy: 0.8401195408071053
Energy: 0.8032033665271732
Energy: 0.7778148914475551
Energy: 0.7558505042226226
Energy: 0.7787106126432721
Energy: 0.7759906724422079
Energy: 0.7773580310835267
Energy: 0.7778546261170763
Energy: 0.7559007871499783
Energy: 0.7788741045854406
Energy: 0.7756294957460668
Energy: 0.7763567896478124
Energy: 0.8198842976431889
Energy: 0.7585881464957983
Energy: 0.7732088356531844
Energy: 0.7751178164022883
Energy: 0.7991555895658075
Energy: 0.7658911790471065
Energy: 0.7590044766085609
Energy: 0.7765037593696189
Energy: 0.7752297924154679
Energy: 0.7761516579264636
Energy: 0.817358816160454
Energy: 0.7513635205782059
Energy: 0.786374244592743
Energy: 0.7732591272285464
Energy: 0.7732725788768704
Energy: 0.8174456468036244
Energy: 0.7515151112364551
Energy: 0.7775696651691439
Energy: 0.7731188540759174
Energy: 0.7740135424729251
Energy: 0.7614700774591894
Energy: 0.7788811867683175
Energy: 0.7693639436367189
Energy: 0.7728939751608613
Energy: 0.7734477322451583
Energy: 0.759544333397113
Energy: 0.8605207861679011
Energy: 0.7696360108624475
Energy: 0.7734364826325105
Energy: 0.7650890892853082
Energy: 0.7684685316556121
Energy: 0.8204274859525024
Energy: 0.8086225575984892
Energy: 0.7782969249671405
Energy: 0.7594513597417666
Energy: 0.768446743299474
Energy: 0.7815755625224827
Energy: 0.7806040955723765
Energy: 0.7652296279718769
Energy: 0.7659634770320153
Energy: 0.7717684953628908
Energy: 0.7725725302274759
Energy: 0.8025216469466294
Energy: 0.7655763299095739
Energy: 0.766753277815245
Energy: 0.8025473039111691
Energy: 0.7724278050985638
Energy: 0.8093117488489666
Energy: 0.7653805302819824
Energy: 0.7689988642051965
Energy: 0.7665795393106499
Energy: 0.826214457068577
Energy: 0.7997695032963751
Energy: 0.7704665511932453
Energy: 0.7690897655342577
Energy: 0.7669536804639282
Energy: 0.8081633720586155
Energy: 0.8158660626527018
Energy: 0.7705341190234241
Energy: 0.7685675273769749
Energy: 0.7766905939486222
Energy: 0.7906117371090896
Energy: 0.7724296484081677
Energy: 0.7713104154840087
Energy: 0.7695883578009288
Energy: 0.7744613767752123
Energy: 0.7892281397980978
Energy: 0.7769725907981269
Energy: 0.7701897926745431
Energy: 0.8304788321551926
Energy: 0.7701426476585602
Energy: 0.7599280103900348
Energy: 0.8111113429077368
Energy: 0.7867603424696636
Energy: 0.8260617497245691
Energy: 0.7702920380282857
Energy: 0.7764198262877241
Energy: 0.8117422297122225
Energy: 0.7833721109979945
Energy: 0.7756309307931115
Energy: 0.7774815617129748
Energy: 0.7684048790107847
Energy: 0.7828850635118546
Energy: 0.8106043562396329
Energy: 0.7767888498360243
Energy: 0.776445669795648
Energy: 0.7683574664353753
Energy: 0.7945409306765843
Energy: 0.7764677733259309
Energy: 0.7750883117770202
Energy: 0.7873458474622073
Energy: 0.790489062116052
Energy: 0.7718132342245075
Energy: 0.7751273252671357
Energy: 0.7748836917553118
Energy: 0.7874278378894076
Energy: 0.8056735569800113
Energy: 0.7726990054991703
Energy: 0.7797757072717635
Energy: 0.7762554118498273
Energy: 0.7908887845928535
Energy: 0.7758589068297668
Energy: 0.7642191563885203
Energy: 0.8005891465254334
Energy: 0.7762021480909176
Energy: 0.7920011180640177
Energy: 0.7759956266878627
Energy: 0.7633642551855467
Energy: 0.8001852037691813
Energy: 0.796947024883507
Energy: 0.7829168744208791
Energy: 0.7802346891993499
Energy: 0.7877464134291174
Energy: 0.7874189519040363
Energy: 0.7873992653401923
Energy: 0.7816618265768642
Energy: 0.7945191607506138
Energy: 0.7910006150074275
Energy: 0.7872618945985315
Energy: 0.9065034926882265
Energy: 0.799259007397296
Energy: 0.7678040614947822
Energy: 0.7755330941438215
Energy: 0.7989591848284897
Energy: 0.7873435298622954
Energy: 0.7992461505737535
Energy: 0.7676537386522586
Energy: 0.7767953187793568
Energy: 0.7989259646720134
Energy: 0.78471069610717
Energy: 0.7738907660472276
Energy: 0.7750893216896764
Energy: 0.7696631681368098
Energy: 0.806532964427005
Energy: 0.7831162282247153
Energy: 0.7737445429906672
Energy: 0.7597918776650359
Energy: 0.7974657802908288
Energy: 0.8064859463187267
Energy: 0.7749613843958317
Energy: 0.7751621902827341
Energy: 0.7933002261747447
Energy: 0.8018723103459527
Energy: 0.7735245059424707
Energy: 0.7754801500276248
Energy: 0.7766744857633332
Energy: 0.7840840855063914
Energy: 0.8188946514738855
Energy: 0.7907394044224815
Energy: 0.811510381236094
Energy: 0.7898430255814511
Energy: 0.8345700461945269
Energy: 0.7854330742051647
Energy: 0.8055607951712387
Energy: 0.8013378601946888
Energy: 0.7688479683312707
Energy: 0.8255755769565469
Energy: 0.7850720342028181
Energy: 0.7820956697588786
Energy: 0.7774092735466355
Energy: 0.775600213888352
Energy: 0.7794732873004039
Energy: 0.8038336571270531
Energy: 0.7958488271826016
Energy: 0.7770154231344398
Energy: 0.7754808999071094
Energy: 0.7793309110658568
Energy: 0.7799328498004028
Energy: 0.7764736597755459
Energy: 0.7735788520854194
Energy: 0.7752281315956141
Energy: 0.7743244502296339
Energy: 0.7643177876588405
Energy: 0.7650104124571458
Energy: 0.7736837066689747
Energy: 0.77530100154044
Energy: 0.7743741594366186
Energy: 0.7648240400866128
Energy: 0.7654903369580146
Energy: 0.7723529899439852
Energy: 0.7722982804255314
Energy: 0.7737921466859847
Energy: 0.7490529403937544
Energy: 0.7638717355751462
Energy: 0.7726630786734435
Energy: 0.7729778219206679
Energy: 0.7735241033535329
Energy: 0.7493668596975916
Energy: 0.7741768304537903
Energy: 0.7688190658503455
Energy: 0.7729741967022024
Energy: 0.773216564401083
Energy: 0.7675756721804772
Energy: 0.7761502615032392
Energy: 0.7891054872142517
Energy: 0.7726196894479743
Energy: 0.7732476709005456
Energy: 0.7687795348629273
Energy: 0.7760585657648218
Energy: 0.769439199336307
Energy: 0.7656928811001434
Energy: 0.7615441691265817
Energy: 0.768755804898648
Energy: 0.7730848405753212
Energy: 0.7695104959483626
Energy: 0.7661348874925421
Energy: 0.7590413291266539
Energy: 0.8520286678224779
Energy: 0.7726122186514315
Energy: 0.7806143367343502
Energy: 0.7656953743986707
Energy: 0.7601269646688998
Energy: 0.7779878662430569
Energy: 0.7828730671335833
Energy: 0.7646051069630507
Energy: 0.7652701037127058
Energy: 0.7597472905074388
Energy: 0.7730871599822718
Energy: 0.7725775435772592
Energy: 0.7690693160275902
Energy: 0.7703479042270179
Energy: 0.7566300460431649
Energy: 0.7702079872150887
Energy: 0.7740711376743246
Energy: 0.769044164964255
Energy: 0.7700222856830023
Energy: 0.7780376704433666
Energy: 0.7703655128669573
Energy: 0.8825480192516453
Energy: 0.7882476188894989
Energy: 0.7769880665608896
Energy: 0.7702369256894851
Energy: 0.7645027854170673
Energy: 0.7937255792411099
Energy: 0.7779684959692931
Energy: 0.7767783869035267
Energy: 0.770223786333905
Energy: 0.7643338742860569
Energy: 0.7737369649918276
Energy: 0.8121324617498278
Energy: 0.7984829959692415
Energy: 0.7978095861751368
Energy: 0.7758436007943619
Energy: 0.7753450796920655
Energy: 0.784573025968231
Energy: 0.7986986484857856
Energy: 0.7715662053932297
Energy: 0.7677428966843383
Energy: 0.7765611279959335
Energy: 0.8047156900483926
Energy: 0.7758071016779214
Energy: 0.7773574806324985
Energy: 0.7621706078317916
Energy: 0.7596518244113657
Energy: 0.7870998754011587
Energy: 0.7757805973603094
Energy: 0.7778702299916378
Energy: 0.7627732700210443
Energy: 0.827207260366849
Energy: 0.7694630746421395
Energy: 0.7802373044949514
Energy: 0.7749069828925337
Energy: 0.7893040953381787
Energy: 0.8020553299897301
Energy: 0.7761604902933177
Energy: 0.7793982274625533
Energy: 0.775111681835972
Energy: 0.786584018777643
Energy: 0.808364045804058
Energy: 0.8729701840159311
Energy: 0.7909024132781054
Energy: 0.7816295349208748
Energy: 0.7871334643846322
Energy: 0.803608079883938
Energy: 0.7736255756273974
Energy: 0.7894415841255442
Energy: 0.7828702670562268
Energy: 0.7864134753533861
Energy: 0.7921134055242358
Energy: 0.7753545769710537
Energy: 0.7851965102524667
Energy: 0.8035124918034421
Energy: 0.7786450726328922
Energy: 0.7759800575207677
Energy: 0.7761088322951063
Energy: 0.7771971524930739
Energy: 0.8039021932086416
Energy: 0.7784220612437012
Energy: 0.7753132916893553
Energy: 0.776758646000336
Energy: 0.7929382310970159
Energy: 0.8104048472222529
Energy: 0.7807332144409954
Energy: 0.7677514642448255
Energy: 0.7678337786233835
Energy: 0.7755880773236825
Energy: 0.8107945247737557
Energy: 0.8055680798686249
Energy: 0.7712023674733861
Energy: 0.8623560561409699
Energy: 0.8067013634341299
Energy: 0.7768781169444712
Energy: 0.7754687056206722
Energy: 0.7807658838878134
Energy: 0.780394995530857
Energy: 0.8052288415705237
Energy: 0.7760123734089798
Energy: 0.7750351072715522
Energy: 0.7922637127676025
Energy: 0.8135890623065329
Energy: 0.7955450992377333
Energy: 0.7759750640436464
Energy: 0.7682603260043345
Energy: 0.8277517332440689
Energy: 0.8051190438804705
Energy: 0.7636594004058734
Energy: 0.777615728008369
Energy: 0.774729323045608
Energy: 0.8307944454393649
Energy: 0.7850824351426102
Energy: 0.7733057413069392
Energy: 0.7908152918125377
Energy: 0.7688914487193953
Energy: 0.842729144942399
Energy: 0.7635925401191932
Energy: 0.7733308287145847
Energy: 0.8440467864870164
Energy: 0.8021036045250408
Energy: 0.8403654874032238
Energy: 0.7751172164178357
Energy: 0.765194460829635
Energy: 0.7614639002542704
Energy: 0.7627038097131548
Energy: 0.7676226717454351
Energy: 0.7689398965842318
Energy: 0.8033611471173465
Energy: 0.7693813478963688
Energy: 0.7669271560557936
Energy: 0.7747591691883523
Energy: 0.8236278414630096
Energy: 0.7595769968317488
Energy: 0.7938514199322125
Energy: 0.7921094702295548
Energy: 0.7602975515254359
Energy: 0.7605741723211439
Energy: 0.7599405283834286
Energy: 0.7903288316897902
Energy: 0.7623029679368875
Energy: 0.7674821355103614

minimum gb energy = 0.7490529403937544 eV
minimum distance =  2.51116904309426 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.9608652002579389
Energy: 0.7379766734464063
Energy: 0.7172937212412258
Energy: 0.7365732294815918
Energy: 0.7130320444695672
Energy: 0.9596508611705669
Energy: 0.7246065288182869
Energy: 0.7168617579651797
Energy: 0.7362418572016229
Energy: 0.7130125864725084
Energy: 0.7431067742679031
Energy: 0.7355198192506335
Energy: 0.7382593975589746
Energy: 0.7237033087381285
Energy: 0.73610817691927
Energy: 0.7408718790110849
Energy: 0.7363286993901362
Energy: 0.7419855747162611
Energy: 0.7244154817572064
Energy: 0.7345070743353489
Energy: 0.7240590933475746
Energy: 0.736518239911247
Energy: 0.724363476488523
Energy: 0.7261814214243099
Energy: 0.7278305969993446
Energy: 0.7245889779735583
Energy: 0.725929769332863
Energy: 0.7254363816722371
Energy: 0.726132841753089
Energy: 0.7258586549152063
Energy: 0.7276645741291168
Energy: 0.7243017403955355
Energy: 0.7256255720691328
Energy: 0.7254630564326888
Energy: 0.7275164060727353
Energy: 0.7351867615992156
Energy: 0.7384578980665698
Energy: 0.7246487715847955
Energy: 0.7251235808384793
Energy: 0.7296316394079401
Energy: 0.7282647136818674
Energy: 0.7344423588254506
Energy: 0.7240258554739428
Energy: 0.7294748635852075
Energy: 0.7311653395945067
Energy: 0.7307476506536005
Energy: 0.7311936847597605
Energy: 0.7238215545635593
Energy: 0.731492212066539
Energy: 0.7302345049873451
Energy: 0.7235505691332013
Energy: 0.7227688004906577
Energy: 0.7391996943518848
Energy: 0.7124256008215216
Energy: 0.7369488055977774
Energy: 0.7233331620297917
Energy: 0.7227466662994498
Energy: 0.7264878451682284
Energy: 0.7122550328055796
Energy: 0.7334316570579619
Energy: 0.7355323679463134
Energy: 0.738362466446657
Energy: 0.736919459554741
Energy: 0.723582643246988
Energy: 0.7365691405055388
Energy: 0.7365285001814089
Energy: 0.7370696627197371
Energy: 0.737582541654941
Energy: 0.7232012093253054
Energy: 0.7346430004131426
Energy: 0.7287702793374434
Energy: 0.7236596265991075
Energy: 0.7454954585849657
Energy: 0.7275098277841845
Energy: 0.7360239660704954
Energy: 0.7137196449464429
Energy: 0.7235181632773012
Energy: 0.7288412887250516
Energy: 0.7263739986169795
Energy: 0.7135827187120813
Energy: 0.7158572649888195
Energy: 0.737839160376089
Energy: 0.7242254337131028
Energy: 0.7251320480868939
Energy: 0.7242023420929165
Energy: 0.7145185631196537
Energy: 0.7444196228693062
Energy: 0.7327311801069459
Energy: 0.7246312552470965
Energy: 0.7245683205808385
Energy: 0.747195736069392
Energy: 0.7364801058978003
Energy: 0.7363341499278752
Energy: 0.7248849786944632
Energy: 0.7370388436518318
Energy: 0.7429047681202788
Energy: 0.7370067189141049
Energy: 0.7301663323209444
Energy: 0.7251607610769663
Energy: 0.7371668782622172
Energy: 0.7468766730813788
Energy: 0.724373514794673
Energy: 0.7380554587969057
Energy: 0.724853390097894
Energy: 0.7675834301653099
Energy: 0.7253018933708649
Energy: 0.7302776103114579
Energy: 0.7245773579304899
Energy: 0.7367980873185855
Energy: 0.7269713147150352
Energy: 0.7369707964541019
Energy: 0.7301563908684064
Energy: 0.7259169173213426
Energy: 0.7257349505008555
Energy: 0.7217866511157502
Energy: 0.7257464903161555
Energy: 0.7316234500473064
Energy: 0.7252867002149768
Energy: 0.7244410892286499
Energy: 0.7442158625591271
Energy: 0.7326724296318907
Energy: 0.7345806466938956
Energy: 0.723977339612733
Energy: 0.7357351869147699
Energy: 0.724143950152006
Energy: 0.7228583427719983
Energy: 0.7288398751600754
Energy: 0.7241454718470106
Energy: 0.7370804342364145
Energy: 0.7253960654141689
Energy: 0.7249823419544671
Energy: 0.7373448926656869
Energy: 0.7351379009065907
Energy: 0.7179819193164428
Energy: 0.7240231779358858
Energy: 0.738331779902135
Energy: 0.7364782916229782
Energy: 0.74363088340682
Energy: 0.7178239552633341
Energy: 0.7242032792468905
Energy: 0.7485873626150016
Energy: 0.7257270296586791
Energy: 0.7377093523212944
Energy: 0.7175059730708924
Energy: 0.735505102983672
Energy: 0.7496997436299453
Energy: 0.7249569037704242
Energy: 0.7385780280692458
Energy: 0.7247893092366524
Energy: 0.7361723820231761

minimum gb energy = 0.7122550328055796 eV
minimum distance =  2.52358380414603 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.811944138561984
Energy: 0.6830903509993884
Energy: 0.6602487999179699
Energy: 0.6496169317921566
Energy: 0.6365794392018916
Energy: 0.6288769079820732
Energy: 0.6361078922997425
Energy: 0.6732888416387216
Energy: 0.6721089270023978
Energy: 0.6413047950949798
Energy: 0.6399509762885225
Energy: 0.6582809188573124
Energy: 0.6499302153414882
Energy: 0.6592701101850029
Energy: 0.6378457208053758
Energy: 0.6597930307531391
Energy: 0.6541840916072654
Energy: 0.6841126638971015
Energy: 0.6917650961557488
Energy: 0.6560657329458515
Energy: 0.6402957049848529
Energy: 0.6416374300170664
Energy: 0.7279827992564883
Energy: 0.6912308234226704
Energy: 0.6571701368799262
Energy: 0.6327863290949096
Energy: 0.641898465295418
Energy: 0.7113377459612841
Energy: 0.6990740337432922
Energy: 0.6570815323093517
Energy: 0.6532784771130612
Energy: 0.6808450165509378
Energy: 0.6828040154510423
Energy: 0.6341890753366405
Energy: 0.7267136597839742
Energy: 0.6531608732385294
Energy: 0.668029081565493
Energy: 0.645521618513478
Energy: 0.6426072813332425
Energy: 0.7204302816578347
Energy: 0.6931576349982538
Energy: 0.674097758080422
Energy: 0.6784852542030735
Energy: 0.6798591756428926
Energy: 0.6360544673194117
Energy: 0.6920233174427807
Energy: 0.672735438489435
Energy: 0.6447428485964067
Energy: 0.6400283598617419
Energy: 0.7491154670026545
Energy: 0.6798647228126948
Energy: 0.7284063332315306
Energy: 0.6820912001374874
Energy: 0.6702827934375237
Energy: 0.6588458199436066
Energy: 0.6781629149127973
Energy: 0.6771888586566945
Energy: 0.6798690901503845
Energy: 0.7388336968697576
Energy: 0.6793851669446729
Energy: 0.6798168710960658
Energy: 0.6784167777535921
Energy: 0.6781714754433547
Energy: 0.6599537929800429
Energy: 0.6811336166820756
Energy: 0.6703847785115494
Energy: 0.6670977057230829
Energy: 0.6786477416308989
Energy: 0.6647587163060443
Energy: 0.6860699099846166
Energy: 0.6770296593409408
Energy: 0.6762657397367654
Energy: 0.6760259909395864
Energy: 0.6749310332397206
Energy: 0.6804312278247443
Energy: 0.7017299827679557
Energy: 0.6760775942443065
Energy: 0.6825019485971355
Energy: 0.6892243824385259
Energy: 0.6704126719787774
Energy: 0.6792473601956662
Energy: 0.6515144837562552
Energy: 0.7435439183725379
Energy: 0.658581562130405
Energy: 0.6769385600348846
Energy: 0.675315939078756
Energy: 0.6845234084455819
Energy: 0.70367305093843
Energy: 0.7010801024568706
Energy: 0.6769927654743132
Energy: 0.6548525587230274
Energy: 0.6501248588089011
Energy: 0.6734910946605097
Energy: 0.6751487058363751
Energy: 0.6815637224410973
Energy: 0.6883854894641991
Energy: 0.6798821739121608
Energy: 0.6762125940239334
Energy: 0.6656943252109984
Energy: 0.7301930345192176
Energy: 0.6762815020675206
Energy: 0.6498867236104958
Energy: 0.6740169389231417
Energy: 0.6544258241124363
Energy: 0.7019099404619715
Energy: 0.6758237504627393
Energy: 0.6629953554446392
Energy: 0.6782280798107233
Energy: 0.6571761655145814
Energy: 0.7013241843155198
Energy: 0.6640111063062144
Energy: 0.7100740748532757
Energy: 0.6609494232814734
Energy: 0.6508505159936716
Energy: 0.6857799214191997
Energy: 0.6762086336599674
Energy: 0.65887499982126
Energy: 0.6409591686888592
Energy: 0.6602922859161592
Energy: 0.6844070593088698
Energy: 0.6656813909362499
Energy: 0.7411213264237382
Energy: 0.6368982374453048
Energy: 0.6411473513851655
Energy: 0.6400593934130276
Energy: 0.7403861865816536
Energy: 0.731542168847514
Energy: 0.6377702929470708
Energy: 0.6483380543910381
Energy: 0.6474021090261926
Energy: 0.6800900566374424
Energy: 0.6432313756185098
Energy: 0.6430894395225786
Energy: 0.6423117070404337
Energy: 0.640379191571004
Energy: 0.6813044378535827
Energy: 0.6736485106122234
Energy: 0.6572067847234452
Energy: 0.7264918357195903
Energy: 0.6811179625346266
Energy: 0.6373819038163469
Energy: 0.6640088776740614
Energy: 0.6480083380423743
Energy: 0.6593117621371317
Energy: 0.6509452744845332
Energy: 0.6520996817616441
Energy: 0.6827068226103097
Energy: 0.6653758431318095
Energy: 0.6584739547783197
Energy: 0.6671427260127817
Energy: 0.7515690813125299
Energy: 0.6940693684816981
Energy: 0.6596364057530966
Energy: 0.6539011045233104
Energy: 0.7018576404219316
Energy: 0.7276374575536013
Energy: 0.7015632989943815
Energy: 0.660020277398136
Energy: 0.653560166820933
Energy: 0.6949724262075014
Energy: 0.6837943791779952
Energy: 0.6681506639935619
Energy: 0.6576640453829757
Energy: 0.6583637842550814
Energy: 0.6657977607776029
Energy: 0.6783426131177278
Energy: 0.6538848682446877
Energy: 0.6575231811315618
Energy: 0.6586480830642674
Energy: 0.6719625312911581
Energy: 0.6672935569453127
Energy: 0.6868298583257101
Energy: 0.6676017671414387
Energy: 0.6957323810225033
Energy: 0.678605368582189
Energy: 0.6692550793630414
Energy: 0.6710963465411894
Energy: 0.7130470207787378
Energy: 0.6799329042240098
Energy: 0.7306049972672931
Energy: 0.6864907011860709
Energy: 0.6555009456848568
Energy: 0.6585630427349269
Energy: 0.6729436604684524
Energy: 0.7280867995119813
Energy: 0.7001715209624715
Energy: 0.6728129826460748
Energy: 0.6788367184704873
Energy: 0.6765975126864375
Energy: 0.7280642583877543
Energy: 0.6817663245690345
Energy: 0.6778356782155837
Energy: 0.6758212684692692
Energy: 0.6893900045066402
Energy: 0.6677695078074285
Energy: 0.6825098570614556
Energy: 0.6799337036555633
Energy: 0.6905817043584713
Energy: 0.6975166147039389
Energy: 0.6804943101513283
Energy: 0.6765201560416285
Energy: 0.681301599299317
Energy: 0.6659589441789261
Energy: 0.6587504366551666
Energy: 0.6560521268111662
Energy: 0.6756232774425557
Energy: 0.6831521247762424
Energy: 0.6879913583802162
Energy: 0.6731346790574396
Energy: 0.6765170822809657
Energy: 0.6793649600074058
Energy: 0.7282235230521807
Energy: 0.6759321474070262
Energy: 0.7098776755951722
Energy: 0.685627694575494
Energy: 0.6775566135428133
Energy: 0.7037009674598178
Energy: 0.676675844730617
Energy: 0.671495751403086
Energy: 0.6849144000310737
Energy: 0.6651109677662036
Energy: 0.681794976812742
Energy: 0.6852447975284405
Energy: 0.6582229212376758
Energy: 0.6506426376097096
Energy: 0.6767582616136155
Energy: 0.6798780016395043
Energy: 0.6526667533441664
Energy: 0.6467047219626857
Energy: 0.6649605793886154
Energy: 0.6813943509197472
Energy: 0.6715967182436023
Energy: 0.655854881546697
Energy: 0.6558199900255014
Energy: 0.6563315340055076
Energy: 0.6819925504582829
Energy: 0.6819187971665094
Energy: 0.658591653882078
Energy: 0.6393293461125044
Energy: 0.6695178404535505
Energy: 0.6379020647227395
Energy: 0.6687987942441639
Energy: 0.6582882192469477
Energy: 0.67574289492986
Energy: 0.6532259399996663
Energy: 0.6371865231176218
Energy: 0.671044688203818
Energy: 0.7260528850683033
Energy: 0.6763516402633198
Energy: 0.6881065898592642
Energy: 0.6437592951008019
Energy: 0.6508688345336304
Energy: 0.6473742907459593
Energy: 0.6665856417840033
Energy: 0.7392609243150536
Energy: 0.6633370098505278
Energy: 0.6449990423290088
Energy: 0.6409664769803917
Energy: 0.6479509538340655
Energy: 0.7280790691401148
Energy: 0.6569864725600563
Energy: 0.6476016103839293
Energy: 0.651887976568522
Energy: 0.6480795762608902
Energy: 0.6641314739981109
Energy: 0.6287641998143905
Energy: 0.6407548871103957
Energy: 0.6444887104951584
Energy: 0.655163134858734
Energy: 0.6750560735442211
Energy: 0.677899774063949
Energy: 0.6744212220590783
Energy: 0.6408535485876675
Energy: 0.6365984357343348
Energy: 0.6630642822850367
Energy: 0.6472743269450757
Energy: 0.6613974568341254
Energy: 0.6855863126718534
Energy: 0.6366123115766009
Energy: 0.6753630423599778
Energy: 0.6632320419262016
Energy: 0.703643664257914
Energy: 0.6415419034024934
Energy: 0.6861728660388208
Energy: 0.6433732892353827
Energy: 0.6599820911720091
Energy: 0.6576841742597186
Energy: 0.66801012132233
Energy: 0.67927429960474
Energy: 0.6558456812673658
Energy: 0.6567651918658409
Energy: 0.6744199727641214
Energy: 0.7017503676477412
Energy: 0.7392631889331558
Energy: 0.6678950057294372
Energy: 0.6536116441367394
Energy: 0.6623876357486563
Energy: 0.6648040855224151
Energy: 0.6774582452283451
Energy: 0.6554625234026594
Energy: 0.671029926543111
Energy: 0.6720641894727093
Energy: 0.6836691617346268
Energy: 0.6733615688397929
Energy: 0.6790162204840793
Energy: 0.6466572842154332
Energy: 0.6908663468265763
Energy: 0.6556294717456014
Energy: 0.654729867700684
Energy: 0.6686644022012804
Energy: 0.7195607913134603
Energy: 0.6786859736226248
Energy: 0.6655662024488985
Energy: 0.6929381160357272
Energy: 0.6562616298365254
Energy: 0.7162270631798563
Energy: 0.6538833123677149
Energy: 0.656300609848216
Energy: 0.685768182736684
Energy: 0.6584241931697288
Energy: 0.7351590434790078
Energy: 0.6951282235642526
Energy: 0.6905172759398333
Energy: 0.6780943548912861
Energy: 0.6757510317066525
Energy: 0.6860005070254447
Energy: 0.679075488414391
Energy: 0.7224207121335249
Energy: 0.6818575167397184
Energy: 0.6780328052808425
Energy: 0.6792114758698968
Energy: 0.6648494856174649
Energy: 0.6575182562860472
Energy: 0.6706002213652376
Energy: 0.6714937946012554
Energy: 0.639234716780289
Energy: 0.6629318993419576
Energy: 0.6766546760943563
Energy: 0.6774005670967622
Energy: 0.6807870467974754
Energy: 0.6994559995003664
Energy: 0.6781768600493902
Energy: 0.6731431449018989
Energy: 0.640122605501006
Energy: 0.6609620214170489
Energy: 0.6812856754368709
Energy: 0.6788686347797498
Energy: 0.6806604829113801
Energy: 0.6865173483930135
Energy: 0.7421041514889205
Energy: 0.6768432753927824
Energy: 0.6872201813778137
Energy: 0.6371733684682677
Energy: 0.6378908484878325
Energy: 0.6754040056503325
Energy: 0.6706944958994969
Energy: 0.6570133794356025
Energy: 0.6803256820495844
Energy: 0.6785251799625005
Energy: 0.6383198908443962
Energy: 0.6390747358940059
Energy: 0.6814002297514767
Energy: 0.6384557984795457
Energy: 0.640188962703882
Energy: 0.6630991285384804
Energy: 0.6391189218159125
Energy: 0.6574082376176495
Energy: 0.6717558735714293
Energy: 0.6820582237595668
Energy: 0.680338723412153
Energy: 0.6375328396508758
Energy: 0.6986975216387902
Energy: 0.6537595124609504
Energy: 0.6368063841449119
Energy: 0.6369169949820597
Energy: 0.6385273097887617
Energy: 0.6724061950742385
Energy: 0.6730514175322005
Energy: 0.64134209983455
Energy: 0.6834628785917618
Energy: 0.6573993780538698
Energy: 0.6574702226277651
Energy: 0.7536941527543168
Energy: 0.7534310979811137
Energy: 0.6351200154179109
Energy: 0.7009821021295383
Energy: 0.6311465827786203
Energy: 0.7188375141099667
Energy: 0.6754684160234424
Energy: 0.6545323595590248

minimum gb energy = 0.6287641998143905 eV
minimum distance =  2.50895171795335 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.5235181922878809
Energy: 0.48994921721911666
Energy: 0.5336379361634763
Energy: 0.4847015936029951
Energy: 0.23746437932397765
Energy: 0.23769216282740352
Energy: 0.4733252917663429
Energy: 0.497451886943036
Energy: 0.4729707519733399
Energy: 0.47669951397199956
Energy: 0.5308785614576956
Energy: 0.535058025615242
Energy: 0.5361607136391833
Energy: 0.4651719151253075
Energy: 0.47635022101949465
Energy: 0.4939666718688644
Energy: 0.4927740305421991
Energy: 0.5499190270612383
Energy: 0.5064782190426643
Energy: 0.4516829150883839
Energy: 0.49535428901373363
Energy: 0.5083194097879854
Energy: 0.5239783298938991
Energy: 0.4843958203598342
Energy: 0.3779976690877108
Energy: 0.47911172674403746
Energy: 0.4962210456878804
Energy: 0.5272768004008417
Energy: 0.4944390708834299
Energy: 0.3093311100606498
Energy: 0.30886662166655204
Energy: 0.49218028161719096
Energy: 0.5755081896923364
Energy: 0.504444606349518
Energy: 0.3851967965153785
Energy: 0.3811506636255644
Energy: 0.4602933889029171
Energy: 0.5121686859832696
Energy: 0.5153064573783717
Energy: 0.31210765759222725
Energy: 0.5175794602426541
Energy: 0.5256284547022964
Energy: 0.5227046167621507
Energy: 0.5036368405956378
Energy: 0.4980170719654428
Energy: 0.4908684327687722
Energy: 0.5644394579067201
Energy: 0.5099499594788186
Energy: 0.5098028147498467
Energy: 0.4218422974401023
Energy: 0.5269306139131517
Energy: 0.583454690510596
Energy: 0.5065655188757276
Energy: 0.30920864044378127
Energy: 0.32183253932135847
Energy: 0.550804232178182
Energy: 0.5545924639590792
Energy: 0.4842974420116008
Energy: 0.3093057527383329
Energy: 0.3171246538070765
Energy: 0.5412028292282548
Energy: 0.5548891742965457
Energy: 0.4493702549054501
Energy: 0.30926485836053713
Energy: 0.3094709893990296
Energy: 0.5427097457355913
Energy: 0.5991021946730571
Energy: 0.4750464882319268
Energy: 0.30944521944340664
Energy: 0.5119635139782149
Energy: 0.579073229672473
Energy: 0.4910697161623856
Energy: 0.5041194528029871
Energy: 0.532757789324145
Energy: 0.5483263350866551
Energy: 0.5019186069858445
Energy: 0.5191555012905944
Energy: 0.552234711386326
Energy: 0.5574222093180969
Energy: 0.4853094455235834
Energy: 0.6918604724028699
Energy: 0.4596945665759996
Energy: 0.30888357196242233
Energy: 0.30902150531864464
Energy: 0.4928857644753286
Energy: 0.7379252652561188
Energy: 0.501702315627127
Energy: 0.3503343814211953
Energy: 0.3460797401108333
Energy: 0.5012262361660895
Energy: 0.5510627749228558
Energy: 0.49988014367614375
Energy: 0.31385742395267285
Energy: 0.44701440594511166
Energy: 0.44455149621807494
Energy: 0.4932882917424108
Energy: 0.5527524350452828
Energy: 0.3342857433386078
Energy: 0.5004807100828067
Energy: 0.4447585969694565
Energy: 0.43133788935353506
Energy: 0.430635661578348
Energy: 0.3570765993896516
Energy: 0.4559366839036505
Energy: 0.511326996343408
Energy: 0.5212971253964094
Energy: 0.29444002710886497
Energy: 0.30082874267096876
Energy: 0.5672311691937574
Energy: 0.5602296694204839
Energy: 0.4872300472503844
Energy: 0.38101379445665784
Energy: 0.38059149271938375
Energy: 0.5644033899730487
Energy: 0.4647264451854331
Energy: 0.40129931746037195
Energy: 0.30902597217542904
Energy: 0.3088869383243486
Energy: 0.4467173024448076
Energy: 0.7155622152410025
Energy: 0.5498584972063446
Energy: 0.4129224632894124
Energy: 0.551781752071544
Energy: 0.5336640199898872
Energy: 0.492235821018972
Energy: 0.5743528759412696
Energy: 0.4331456549981652
Energy: 0.5280052806076722
Energy: 0.5649861158700102
Energy: 0.540211030794497
Energy: 0.3092875302975282
Energy: 0.30896940194535755
Energy: 0.5550248600322885
Energy: 0.49054594908451266
Energy: 0.5540264148855346
Energy: 0.3451799352365894
Energy: 0.34507698970388473
Energy: 0.47822000182957236
Energy: 0.4326283036537555
Energy: 0.4092327857807085
Energy: 0.2945916737204485
Energy: 0.30900386402768176
Energy: 0.5302264357260282
Energy: 0.6815924890864464
Energy: 0.41860862957924827
Energy: 0.322808748945584
Energy: 0.3450822634183386
Energy: 0.5055178921683481
Energy: 0.5887141903745633
Energy: 0.5085287436953838
Energy: 0.49545814638883307
Energy: 0.48246692131445135
Energy: 0.5060701158151582
Energy: 0.5539298082830137
Energy: 0.5190900816552317
Energy: 0.5082992650663597
Energy: 0.5517256313336013
Energy: 0.5408511189613919
Energy: 0.41694079670483364
Energy: 0.5104715257578435
Energy: 0.3815834824896208
Energy: 0.5568049237661077
Energy: 0.5167027659263546
Energy: 0.5807566896415579
Energy: 0.23738955960661848
Energy: 0.24164933022093454
Energy: 0.5067380243477275
Energy: 0.5602106638115346
Energy: 0.5623552541685651
Energy: 0.3785343293703547
Energy: 0.3657151691309813
Energy: 0.5946279442966538
Energy: 0.5593406896953919
Energy: 0.5195933532534032
Energy: 0.5430041962187672
Energy: 0.23828321866092408
Energy: 0.5195912590251377
Energy: 0.5250225792765454
Energy: 0.5075695536213649
Energy: 0.47758330355732576
Energy: 0.4972014199547111
Energy: 0.5956540544024195
Energy: 0.663304550233745
Energy: 0.4910959049428557
Energy: 0.3222452823045979
Energy: 0.5447228126209064
Energy: 0.542811814963979
Energy: 0.4156356519223233
Energy: 0.5701821539720721
Energy: 0.29659026181117204
Energy: 0.3089473173225802
Energy: 0.5319634407994418
Energy: 0.6259204838351752
Energy: 0.4637471931331664
Energy: 0.3448777540363068
Energy: 0.34490493272455364
Energy: 0.4494365077509923
Energy: 0.438170325971097
Energy: 0.30955498585240865
Energy: 0.30855724006241486
Energy: 0.4207446372343557
Energy: 0.5180087006310553
Energy: 0.46743943010526345
Energy: 0.5831681776589115
Energy: 0.492634236688706
Energy: 0.5495070847279628
Energy: 0.5805701189923995
Energy: 0.5627250941226528
Energy: 0.5185931988263303
Energy: 0.5121096631080393
Energy: 0.54317057733293
Energy: 0.7108260152462199
Energy: 0.46499301321018033
Energy: 0.3093939797854467
Energy: 0.3153128954514879
Energy: 0.4464061578370659
Energy: 0.5111265105759458
Energy: 0.5273366518085244
Energy: 0.3839227292577877
Energy: 0.5198706302418021
Energy: 0.4082066644599111
Energy: 0.5524883911394578
Energy: 0.43817656754798395
Energy: 0.30901334907483113
Energy: 0.30888759647398717
Energy: 0.49266208141848583
Energy: 0.42329520611426225
Energy: 0.46135398252430054
Energy: 0.3847867686704621
Energy: 0.3807500217350928
Energy: 0.5275861905997723
Energy: 0.481108007314788
Energy: 0.5521201315610273
Energy: 0.5503336153960048
Energy: 0.5217447730734543
Energy: 0.4569205397606563
Energy: 0.4083102324700672
Energy: 0.40498712558042593
Energy: 0.5174340388438606
Energy: 0.5164040869319496
Energy: 0.5333336883401503
Energy: 0.45446874286557976
Energy: 0.34584587638752834
Energy: 0.34781945292815547
Energy: 0.4467381630223046
Energy: 0.5036044056955187
Energy: 0.5030446929488911
Energy: 0.30895985833398537
Energy: 0.309398982410818
Energy: 0.46511788818701433
Energy: 0.5545247805544873
Energy: 0.5243583429688563
Energy: 0.33236155386836724
Energy: 0.3474110357408467
Energy: 0.48034505528648624
Energy: 0.5341300726437106
Energy: 0.5224547047370334
Energy: 0.3092892492398399
Energy: 0.3092980600746568
Energy: 0.4610063548788096
Energy: 0.4610978987916171
Energy: 0.4523068817970544
Energy: 0.45598317192888843
Energy: 0.4665453040417703
Energy: 0.5105444548903713
Energy: 0.4539782385967593
Energy: 0.4975615945025277
Energy: 0.508936523849905
Energy: 0.5404606233047264
Energy: 0.5571420242404759
Energy: 0.520756292815106
Energy: 0.3090946648880816
Energy: 0.31372567462848083
Energy: 0.5122279796426579
Energy: 0.6458079698862134
Energy: 0.4999945797943061
Energy: 0.3089847448058821
Energy: 0.30909164986825605
Energy: 0.5280998541878842
Energy: 0.519406428858867
Energy: 0.4917234966920641
Energy: 0.45139362409647305
Energy: 0.3161111642507791
Energy: 0.4855695068853815
Energy: 0.544937306182511
Energy: 0.5301178431014028
Energy: 0.44233106686494117
Energy: 0.5089422193009189
Energy: 0.4787630042238229
Energy: 0.5153458219796456
Energy: 0.4944985711644081
Energy: 0.3291504206053735
Energy: 0.4828052242104271
Energy: 0.4710080135478465
Energy: 0.5051334145960609
Energy: 0.5024299539883896
Energy: 0.36246074194443245
Energy: 0.5038195355924164
Energy: 0.567998844185319
Energy: 0.48820067559119945
Energy: 0.3094775108171092
Energy: 0.31169876586975076
Energy: 0.5003370587707493
Energy: 0.5670301755966379
Energy: 0.5169728288600656
Energy: 0.3819463472978634
Energy: 0.385066038096467
Energy: 0.490350562406549
Energy: 0.5344240002135267
Energy: 0.49399360166604256
Energy: 0.49963637539518385
Energy: 0.5235572689946427
Energy: 0.4966346074870702
Energy: 0.5025019955477684
Energy: 0.4736388283711942
Energy: 0.4769001384216398
Energy: 0.5033955413511518
Energy: 0.4936760303603677
Energy: 0.48421908750024584
Energy: 0.48601312820527226
Energy: 0.4917364938845948
Energy: 0.5063852127220742
Energy: 0.5208194309912622
Energy: 0.4818363917256646
Energy: 0.47338611696124877
Energy: 0.2375253668126986
Energy: 0.4747236370950149
Energy: 0.4771053350403348
Energy: 0.5019648839182602
Energy: 0.4775793957814899

minimum gb energy = 0.23738955960661848 eV
minimum distance =  2.52575008320436 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.5959301646090407
Energy: 0.5736547247453926
Energy: 0.5936422293109477
Energy: 0.5844834088260137
Energy: 0.5616432277406279
Energy: 0.560474120962459
Energy: 0.572510665436819
Energy: 0.583765423090975
Energy: 0.6066167136488817
Energy: 0.5764465663493225
Energy: 0.5706767731388277
Energy: 0.5825482763625386
Energy: 0.5841444663270745
Energy: 0.582718937334903
Energy: 0.5811577952836527
Energy: 0.5642655830460432
Energy: 0.5763150362329417
Energy: 0.5939040086837437
Energy: 0.5825749871707703
Energy: 0.5826020881178339
Energy: 0.5904375580358447
Energy: 0.5860487546336209
Energy: 0.5863606613899383
Energy: 0.6050294994576344
Energy: 0.5634653344380753
Energy: 0.573773735761462
Energy: 0.5842785210626597
Energy: 0.5841933493881559
Energy: 0.6060816935405721
Energy: 0.5634692751241301
Energy: 0.6219791608133748
Energy: 0.6028227125332133
Energy: 0.5847917768496812
Energy: 0.5792468816180175
Energy: 0.6174316373429245
Energy: 0.6218804644908643
Energy: 0.6026865390146018
Energy: 0.5860353390001928
Energy: 0.5813911906058257
Energy: 0.5645393078175225
Energy: 0.5825530468340239
Energy: 0.5849969848711608
Energy: 0.6027261000755136
Energy: 0.5705200210032032
Energy: 0.5974623425064082
Energy: 0.5848248974558496
Energy: 0.5921712576581646
Energy: 0.6027609370817608
Energy: 0.570520916246994
Energy: 0.6037892214864615
Energy: 0.5820687924158574
Energy: 0.5822737929341518
Energy: 0.6536906481074565
Energy: 0.6158849804731614
Energy: 0.576348889520389
Energy: 0.5846348062169887
Energy: 0.5849781247620414
Energy: 0.639873590493909
Energy: 0.5797303454970456
Energy: 0.5766600266976853
Energy: 0.6216920640318371
Energy: 0.5833804612428393
Energy: 0.5857418209587901
Energy: 0.6154310726187538
Energy: 0.5866754340511765
Energy: 0.6541758564555081
Energy: 0.5842300992614151
Energy: 0.6053966861646443
Energy: 0.6217325479749213
Energy: 0.5851007942165982
Energy: 0.5701939056267206
Energy: 0.5829087334916807
Energy: 0.5674480772488958
Energy: 0.571490917468789
Energy: 0.5704867527666775
Energy: 0.5705051414432241
Energy: 0.5854120952729582
Energy: 0.5674886286073666
Energy: 0.5709643704658561
Energy: 0.5704367015327484
Energy: 0.5703526765467063
Energy: 0.5964431853874823
Energy: 0.616457673655126
Energy: 0.5779073606855896
Energy: 0.5878116211127786
Energy: 0.5703968040343845
Energy: 0.5952905069285197
Energy: 0.690583057377687
Energy: 0.5779178908098934
Energy: 0.5704478124839134
Energy: 0.6184781850680671
Energy: 0.570070547571023
Energy: 0.5988686226824467
Energy: 0.5677796304867344
Energy: 0.570793258466266
Energy: 0.639148801418651
Energy: 0.5701351095525282
Energy: 0.5843092470843286
Energy: 0.5678190853538518
Energy: 0.5703322982620549
Energy: 0.570741082544991
Energy: 0.6229964546636735
Energy: 0.5860473167569652
Energy: 0.5676084963783936
Energy: 0.5674826795832053
Energy: 0.5704994310395284
Energy: 0.5747730746508044
Energy: 0.5850721473289167
Energy: 0.5700517058243587
Energy: 0.5676152053604686
Energy: 0.5971653873384901
Energy: 0.5664073864921116
Energy: 0.6940051666886705
Energy: 0.6208415100910342
Energy: 0.5636497425381418
Energy: 0.5971926056001232
Energy: 0.5795681456468416
Energy: 0.6905039629689946
Energy: 0.5786837894157423
Energy: 0.5634853915052854
Energy: 0.6200201040069052
Energy: 0.6676371190728976
Energy: 0.5677759669498772
Energy: 0.5937935990770463
Energy: 0.5803141391652866
Energy: 0.699596566428757
Energy: 0.6913985906416446
Energy: 0.5678225687629658
Energy: 0.5994421931782431
Energy: 0.6224518277931183
Energy: 0.6488247585609429
Energy: 0.5701249278303399
Energy: 0.5674729598113762
Energy: 0.5676097336510756
Energy: 0.6922657152424705
Energy: 0.6477895205135488
Energy: 0.5726465383439044
Energy: 0.567717762684212
Energy: 0.567631290659597
Energy: 0.684051379941471
Energy: 0.5722229306659163
Energy: 0.6478104212499407
Energy: 0.6817376609136433
Energy: 0.6390448510959357
Energy: 0.5762553219681998
Energy: 0.5715244284485099
Energy: 0.6204782929407584
Energy: 0.6811288610232131
Energy: 0.6208281087866876
Energy: 0.5761642281888256
Energy: 0.691570280987901
Energy: 0.5719922860935687
Energy: 0.5717811502178761
Energy: 0.5905721702367295
Energy: 0.5843935317855519
Energy: 0.6928027181364373
Energy: 0.5742210333246338
Energy: 0.5720156688783871
Energy: 0.6221198392498335
Energy: 0.5974389999994504
Energy: 0.6530260793274378
Energy: 0.5726732410691181
Energy: 0.5721756059666966
Energy: 0.5709766868535464
Energy: 0.6549337027912759
Energy: 0.591218053800471
Energy: 0.5728977214104348
Energy: 0.5719531712183574
Energy: 0.5832583519477691
Energy: 0.6548157758261457
Energy: 0.5785181733318274
Energy: 0.570870502059526
Energy: 0.577024516602489
Energy: 0.5769144624776832
Energy: 0.5721169147888103
Energy: 0.5787405982007644
Energy: 0.5708570022244723
Energy: 0.578176774714607
Energy: 0.5780534619388299
Energy: 0.5720147286642809
Energy: 0.5787634617013642
Energy: 0.5774276185689857
Energy: 0.5965470625795675
Energy: 0.5718055855363181
Energy: 0.6141140467593337
Energy: 0.5807352680298166
Energy: 0.5779220711513118
Energy: 0.5783720100881174
Energy: 0.5719509736730946
Energy: 0.6001826798054685
Energy: 0.5847936905399344
Energy: 0.6145177314812302
Energy: 0.6078034567220462
Energy: 0.5855856391798219
Energy: 0.5911498988329047
Energy: 0.5849137143003522
Energy: 0.5698713394442589
Energy: 0.5953413303589202
Energy: 0.5852148635445041
Energy: 0.5911972529607418
Energy: 0.5856484541015687
Energy: 0.5913648280853644
Energy: 0.6418081641046224
Energy: 0.6114930940429861
Energy: 0.5917586162649577
Energy: 0.599673545836024
Energy: 0.5917743069785824
Energy: 0.642971224216543
Energy: 0.6112302457151624
Energy: 0.5914859456248251
Energy: 0.5837227417785207
Energy: 0.6052588960542273
Energy: 0.5833190860985512
Energy: 0.5838408688531594
Energy: 0.5916896311325737
Energy: 0.5860004798040012
Energy: 0.6037818770967888
Energy: 0.5762955581133496
Energy: 0.5839900484160131
Energy: 0.5913999605242721
Energy: 0.5915617868100653
Energy: 0.6173710212388516
Energy: 0.6017616607295763
Energy: 0.5833100299850377
Energy: 0.5851281228449108
Energy: 0.6224731210237656
Energy: 0.5636156073441729
Energy: 0.5838218145034635
Energy: 0.5838503382106242
Energy: 0.5928112841746629
Energy: 0.5907298157215974
Energy: 0.564000304257746
Energy: 0.5845508981823997
Energy: 0.5929807876831595
Energy: 0.5830039659233346
Energy: 0.5789808200453077
Energy: 0.5651197493614801
Energy: 0.5849137819226432
Energy: 0.6049122722454581
Energy: 0.5828171664847992
Energy: 0.57042905527839
Energy: 0.5861719463053584
Energy: 0.5859362024863822
Energy: 0.5930818181121744
Energy: 0.5744627232480999
Energy: 0.5706075676303476
Energy: 0.5858883882283052
Energy: 0.5859807839785235
Energy: 0.5889445639156667
Energy: 0.5706947885422565
Energy: 0.5639883694815327
Energy: 0.5827206197850765
Energy: 0.5858155248688109
Energy: 0.651119655137457
Energy: 0.5636316507454595
Energy: 0.5753304843874093
Energy: 0.5714309735990651
Energy: 0.5861979460508927
Energy: 0.6384786492499278
Energy: 0.5785445633858035
Energy: 0.5629895046503491
Energy: 0.5711794706877077
Energy: 0.5836584093547417
Energy: 0.5837998615126857
Energy: 0.5841329183862308
Energy: 0.5628496536163763
Energy: 0.5713006769522564
Energy: 0.5823168880001928
Energy: 0.58531591306073
Energy: 0.5838709378559258
Energy: 0.571068901258223
Energy: 0.5710706046982902
Energy: 0.5710150773400055
Energy: 0.5918895893928106
Energy: 0.5622942662349921
Energy: 0.5706646011577226
Energy: 0.5707118317935816
Energy: 0.5711390433024167
Energy: 0.608824551979209
Energy: 0.5623727055359489
Energy: 0.6639492354963977
Energy: 0.5713191861140089
Energy: 0.5672452385462218
Energy: 0.5678499575843972
Energy: 0.576790247673499
Energy: 0.5872567174538085
Energy: 0.5715572416354987
Energy: 0.5707271642421473
Energy: 0.5677903566247745
Energy: 0.6111721577576296
Energy: 0.5679875893363062
Energy: 0.5822193875728441
Energy: 0.6446351163999731
Energy: 0.6748394110702778
Energy: 0.567514048850459
Energy: 0.5680016568386083
Energy: 0.586219865415869
Energy: 0.6445005110414854
Energy: 0.6674571390244656
Energy: 0.5672739482260537
Energy: 0.5676892292216145
Energy: 0.5677034884581202
Energy: 0.6702719967846642
Energy: 0.5644212312108791
Energy: 0.5945031700267059
Energy: 0.5677355618932903
Energy: 0.5680138467231177
Energy: 0.6005420641727409
Energy: 0.5650007781726784
Energy: 0.5867757650445748
Energy: 0.6778917822032293
Energy: 0.5797925108295454
Energy: 0.5972163642869477
Energy: 0.5769917666628618
Energy: 0.6496652634632343
Energy: 0.6958300641089512
Energy: 0.5797778514434296
Energy: 0.5966089266844996
Energy: 0.576936101155091
Energy: 0.6096699353313509
Energy: 0.5825831663320917
Energy: 0.564521114343795
Energy: 0.5778742315621886
Energy: 0.5683194241412586
Energy: 0.5697544276822722
Energy: 0.5682587152831006
Energy: 0.5638593990356395
Energy: 0.5720950529855404
Energy: 0.5679971985953662
Energy: 0.5697624652327148
Energy: 0.5675645582809337
Energy: 0.6603609253646129
Energy: 0.6423491527381939
Energy: 0.5748547274622183
Energy: 0.5680998135807777
Energy: 0.567844173817955
Energy: 0.6600653848368554
Energy: 0.6435985038155405
Energy: 0.572322570969503
Energy: 0.5680608912988557
Energy: 0.6378246812011255
Energy: 0.5692110035138076
Energy: 0.60602523828165
Energy: 0.5722634717803651
Energy: 0.576368505911043
Energy: 0.5825407295809921
Energy: 0.5827296977505227
Energy: 0.573067316484726
Energy: 0.5721924564372673
Energy: 0.5641366863114872
Energy: 0.5631393903758697
Energy: 0.609276409279552
Energy: 0.5777742037442553
Energy: 0.5728814396314852
Energy: 0.572303711954163
Energy: 0.5677211259874805
Energy: 0.5843281556724119
Energy: 0.5724258569065424
Energy: 0.5731586818853313
Energy: 0.5725682336631112
Energy: 0.5957213194267434
Energy: 0.5763598048657196
Energy: 0.576565025107714
Energy: 0.5714680386818862
Energy: 0.5633255030321218
Energy: 0.5973534629577192
Energy: 0.5780346783756055
Energy: 0.5801938404173735
Energy: 0.5709568665678071
Energy: 0.5632717499879718
Energy: 0.6934907572794741
Energy: 0.6421777138898783
Energy: 0.5784769855664639
Energy: 0.5833888417133172
Energy: 0.5806053729788544
Energy: 0.6607096294546606
Energy: 0.6263590760744508
Energy: 0.5789435766445258
Energy: 0.5830285499408088
Energy: 0.5653694995531999
Energy: 0.5722092771057401
Energy: 0.5923793682770405
Energy: 0.5792882977067157
Energy: 0.5772214316231099
Energy: 0.5688977012842308
Energy: 0.5707507735361951
Energy: 0.5833350798820944
Energy: 0.5790230894365117
Energy: 0.5838636766582466
Energy: 0.5690117669204534
Energy: 0.584860739854117
Energy: 0.6112480765773084
Energy: 0.6048594414411801
Energy: 0.5778141738075784
Energy: 0.5895259248616896
Energy: 0.5844784797509626
Energy: 0.6130912836102149
Energy: 0.6045122176168466
Energy: 0.5696193879312846
Energy: 0.5968426264619052
Energy: 0.5847894175907622
Energy: 0.59218734960707
Energy: 0.5863862800509493
Energy: 0.5900019536282533
Energy: 0.5847422509611199
Energy: 0.592011788273853
Energy: 0.5867470764398309
Energy: 0.5853936210131773
Energy: 0.6308869186603041
Energy: 0.588774816440323
Energy: 0.5841205152491933
Energy: 0.5920149095837869
Energy: 0.6079217888433034
Energy: 0.5840849082786579
Energy: 0.5771061201307881
Energy: 0.5853716252510538
Energy: 0.5917050937420384
Energy: 0.6058991047325274
Energy: 0.5842904709642922
Energy: 0.5771690435534236
Energy: 0.5835081359541249
Energy: 0.5933406879618084
Energy: 0.7057235781496364
Energy: 0.575987127912902
Energy: 0.6024855479604019
Energy: 0.5836395367206577
Energy: 0.5934785031434999
Energy: 0.7056745167940609
Energy: 0.575734849453254
Energy: 0.5977175061190986
Energy: 0.5941740940801309
Energy: 0.5834888718118167
Energy: 0.5886266751254277
Energy: 0.6097525963437281
Energy: 0.5822564134106617
Energy: 0.593894414662684
Energy: 0.5835171320486673
Energy: 0.5797152188612033
Energy: 0.6115829422216293
Energy: 0.5830275722164902
Energy: 0.6119924029191831
Energy: 0.571604150525325
Energy: 0.5647475784503294
Energy: 0.5858673333356641
Energy: 0.5879069313044206
Energy: 0.6076220825254985
Energy: 0.5707108508292735
Energy: 0.5841421813534603
Energy: 0.5860606370236907
Energy: 0.5883144845540799
Energy: 0.5705547512104887
Energy: 0.5786025807679994
Energy: 0.7059043799296398
Energy: 0.5720303765604319
Energy: 0.5863583932790849
Energy: 0.5706448306690564
Energy: 0.5753231457190482
Energy: 0.6931144898270459
Energy: 0.5955461210340713
Energy: 0.5860979792763301
Energy: 0.6458347707270611
Energy: 0.5897420628618968
Energy: 0.5704777663832699
Energy: 0.5709133153942404
Energy: 0.5822483389703709
Energy: 0.6514185571499476
Energy: 0.5928685545615342
Energy: 0.5704535430243242
Energy: 0.5710040709855032
Energy: 0.634902452813457
Energy: 0.6003124852180475
Energy: 0.6155937976611745
Energy: 0.5703051317223287
Energy: 0.570539794045498
Energy: 0.6570511202497021
Energy: 0.5963702712330429
Energy: 0.5799385305676413
Energy: 0.5702559873652052
Energy: 0.5706338722901653
Energy: 0.6706583709308549
Energy: 0.5824733487258438
Energy: 0.589258476996948
Energy: 0.6706179214249992
Energy: 0.6470012420843259
Energy: 0.5703941591447187
Energy: 0.5787750439993705
Energy: 0.6484691667565672
Energy: 0.6916574184642892
Energy: 0.6434194807426712
Energy: 0.5707656854356569
Energy: 0.6225865743366206
Energy: 0.5674155711415982
Energy: 0.5676014732196139
Energy: 0.5670082999111226
Energy: 0.6053011198314191
Energy: 0.6233518990947515
Energy: 0.567465726234143
Energy: 0.5672780173711075
Energy: 0.5983958535974852
Energy: 0.5737131795493876
Energy: 0.564621538374114
Energy: 0.5928712278894099
Energy: 0.5677619053637089
Energy: 0.6228337215053705
Energy: 0.7131647503077205
Energy: 0.5767901085036943
Energy: 0.5918686449125742
Energy: 0.5676039540899797
Energy: 0.6487432502505986
Energy: 0.6769795093109866
Energy: 0.5635191611649136
Energy: 0.568824222580044
Energy: 0.5664150727152361
Energy: 0.5802240307002604
Energy: 0.59283208430733
Energy: 0.563478464833032
Energy: 0.5958679770059131
Energy: 0.5796441443251678
Energy: 0.57768024731512
Energy: 0.5981028845268644
Energy: 0.5675985542451155
Energy: 0.5698228586742453
Energy: 0.5684399650485185
Energy: 0.5682942664164102
Energy: 0.571030713377335
Energy: 0.5675479734357437
Energy: 0.5676526561140233
Energy: 0.5688960428395569
Energy: 0.5740499626184433
Energy: 0.5691706637959918
Energy: 0.5743688050594372
Energy: 0.5680733703006093
Energy: 0.6183049807453689
Energy: 0.5689414038418072
Energy: 0.5716624828764013
Energy: 0.5688015463145649
Energy: 0.567913427632728
Energy: 0.5921105484048584
Energy: 0.5708032449100265
Energy: 0.5785859405856338
Energy: 0.5691027092833295
Energy: 0.576225491592182
Energy: 0.6668567934038909
Energy: 0.5749813156741338
Energy: 0.5708984882056372
Energy: 0.5706855316181063
Energy: 0.5760519091271055
Energy: 0.7066911221185325
Energy: 0.6067973055599124
Energy: 0.5691735656862994
Energy: 0.5692498109211335
Energy: 0.5702718128015596
Energy: 0.5674542226215025
Energy: 0.6193977079242573
Energy: 0.5714063361060716
Energy: 0.5710618411265485
Energy: 0.5631630024223955
Energy: 0.5672960268879107
Energy: 0.5815200092560484
Energy: 0.5690753269285862
Energy: 0.5827233674975474
Energy: 0.5906765331900933
Energy: 0.5682369340960713
Energy: 0.5948209967947925
Energy: 0.6668197992962268
Energy: 0.6031380313614453
Energy: 0.5632582134619459
Energy: 0.5960338927093889
Energy: 0.5927419233675828
Energy: 0.6653312422390054
Energy: 0.5776329478362449
Energy: 0.5658596384774738
Energy: 0.5948730735572905
Energy: 0.5793893393317923
Energy: 0.5793384006758422
Energy: 0.5772706912788949
Energy: 0.5723833907028215
Energy: 0.6664900830277931
Energy: 0.5807782568190435
Energy: 0.5806470413642745
Energy: 0.5757117072592723
Energy: 0.5693089863410306
Energy: 0.6019418663248344
Energy: 0.5933106063075613
Energy: 0.5727175056597319
Energy: 0.5640032105893826
Energy: 0.5711040664462332
Energy: 0.6108853769000994
Energy: 0.5986937127442855
Energy: 0.5805642796063519
Energy: 0.5644898760028202
Energy: 0.5729291992198988
Energy: 0.5927284291135774
Energy: 0.602465840097498
Energy: 0.6206074702305944
Energy: 0.5597496155672846
Energy: 0.5752013078047696
Energy: 0.5835899064520849
Energy: 0.6028149362847198
Energy: 0.5796555569963786

minimum gb energy = 0.5597496155672846 eV
minimum distance =  2.49264123633129 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.759373227522617
Energy: 0.7427780385222472
Energy: 0.7543651565639532
Energy: 0.7547139129602318
Energy: 0.725315609170915
Energy: 0.7521022992342365
Energy: 0.7433357916310537
Energy: 0.78259360559447
Energy: 0.7551395855187867
Energy: 0.7245188000212843
Energy: 0.7412682643944878
Energy: 0.7533227053114616
Energy: 0.7528285025764567
Energy: 0.7527937527908988
Energy: 0.7424622431174617
Energy: 0.7617475807629207
Energy: 0.7532822592690115
Energy: 0.7542503638148881
Energy: 0.7529380120887682
Energy: 0.7428720268284931
Energy: 0.7413607269930902
Energy: 0.7536508660467675
Energy: 0.7529797325650511
Energy: 0.769208216219315
Energy: 0.7400278146148265
Energy: 0.7555154033296405
Energy: 0.7556870640696902
Energy: 0.7532382988239655
Energy: 0.7544825770326331
Energy: 0.7405337861291288
Energy: 0.8444976232524187
Energy: 0.7801282027400618
Energy: 0.7539921004508381
Energy: 0.7433065400400327
Energy: 0.7742765949813607
Energy: 0.7658729432832546
Energy: 0.7816490792030024
Energy: 0.7540256237358467
Energy: 0.7430653203522478
Energy: 0.7873327555152857
Energy: 0.740778899968731
Energy: 0.791790620357917
Energy: 0.743072130477124
Energy: 0.7410229904674612
Energy: 0.7415299990556515
Energy: 0.740934106698595
Energy: 0.7451757021489366
Energy: 0.7430793207853997
Energy: 0.741245254333415
Energy: 0.741340616490072
Energy: 0.7413008916613208
Energy: 0.7433243672929756
Energy: 0.7890721623468155
Energy: 0.776047395016875
Energy: 0.7409484994764857
Energy: 0.7411804912831047
Energy: 0.741666070305041
Energy: 0.7727967753182915
Energy: 0.7757284701488389
Energy: 0.7410884275377135
Energy: 0.7521388751753392
Energy: 0.7556358519492427
Energy: 0.7408243236597759
Energy: 0.7416128411954568
Energy: 0.7425568510833894
Energy: 0.7608292947546467
Energy: 0.724916746370145
Energy: 0.7408465847223089
Energy: 0.750675445684622
Energy: 0.742775533321783
Energy: 0.7431200421289634
Energy: 0.7513030924139877
Energy: 0.7800052032877202
Energy: 0.7555617420150205
Energy: 0.7409603266164253
Energy: 0.7405555813763872
Energy: 0.7515610426931942
Energy: 0.779738709480892
Energy: 0.7545376876962778
Energy: 0.7421854271388556
Energy: 0.724674326966334
Energy: 0.7415130581252111
Energy: 0.7540826894033198
Energy: 0.7534882711152613
Energy: 0.7416365490481807
Energy: 0.7255458741527627
Energy: 0.7425742112206561
Energy: 0.7538291149774974
Energy: 0.7544829615089024
Energy: 0.7412252543689033

minimum gb energy = 0.7245188000212843 eV
minimum distance =  2.50347065481539 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.3513198052710822
Energy: 0.867180963543274
Energy: 0.8799621130165846
Energy: 0.8812888900893697
Energy: 0.869081889670099
Energy: 0.8609319421370124
Energy: 0.8669343342115202
Energy: 0.886120733456606
Energy: 0.8817495583153342
Energy: 0.8752848122330319
Energy: 0.8744959953849307
Energy: 0.8578689942466458
Energy: 0.8688112415141293
Energy: 0.87079425578565
Energy: 0.8778831119972593
Energy: 0.8603048857832686
Energy: 0.8596254314574752
Energy: 0.8673543856515794
Energy: 0.8728192500004099
Energy: 0.8767157520087802
Energy: 0.8707418490482802
Energy: 0.8911179277403654
Energy: 0.8766746518507122
Energy: 0.8778092052307483
Energy: 0.851710058953635
Energy: 0.8668708007675834
Energy: 0.8901903728166021
Energy: 0.8758750523452904
Energy: 0.8858440773530706
Energy: 0.8699562907032921
Energy: 0.8539601449094794
Energy: 0.8680058359264038
Energy: 0.8587141095817736
Energy: 0.8720333805526079
Energy: 0.9166530144776592
Energy: 0.8891275301290771
Energy: 0.8680955592292743
Energy: 0.8590285189417921
Energy: 0.8703473589168507
Energy: 0.860264399258143
Energy: 0.8604432676858806
Energy: 0.856724533689847
Energy: 0.8533992766099036
Energy: 0.8812253228083535
Energy: 0.8776858824375746
Energy: 0.8630577846313682
Energy: 0.8558756069185295
Energy: 0.8485150298487385
Energy: 0.875054743137873
Energy: 0.8773495119862752
Energy: 0.8571206074255132
Energy: 0.8743501553194892
Energy: 0.8846241767995942
Energy: 0.8713345354656952
Energy: 0.8793529576044508
Energy: 0.8571655550253465
Energy: 0.871609416304566
Energy: 0.8886857848962678
Energy: 0.8688627216807026
Energy: 0.8615576829869832
Energy: 0.8690110167810631
Energy: 0.8559987186537078
Energy: 0.8792280470170305
Energy: 0.877061588659009
Energy: 0.8663831807353792
Energy: 0.850335363154875
Energy: 0.8712119428573522
Energy: 0.8851961426077426
Energy: 0.871757397878813
Energy: 0.8666187083118224
Energy: 0.8961947905188719
Energy: 0.8564108574178072
Energy: 0.8942882757854957
Energy: 0.8879458967976434
Energy: 0.8721258188610572
Energy: 0.8879083976845831
Energy: 0.8565613005593349
Energy: 0.867896084097321
Energy: 0.8860154850071253
Energy: 0.8740167368521238
Energy: 0.8579012743078668
Energy: 0.8597988540432371
Energy: 0.892013474165972
Energy: 0.8771298952471128
Energy: 0.8820425298721096
Energy: 0.8734583430469741
Energy: 0.859393037132186
Energy: 0.86605123674478
Energy: 0.8842069515818382
Energy: 0.8661036717664911
Energy: 0.9337426139578207
Energy: 0.8523474897859227
Energy: 0.8908955602217142
Energy: 0.8791044291202107
Energy: 0.8543869803097629
Energy: 0.9354648919840289
Energy: 0.8526915573530228
Energy: 0.8906773486071625
Energy: 0.8776562389951365
Energy: 0.8560450698302935
Energy: 0.8502308924837152
Energy: 0.8504348023286417
Energy: 0.8587523559777136
Energy: 0.8571800950714289
Energy: 0.8600951232620642
Energy: 0.8497898867674895
Energy: 0.8743452661625347
Energy: 0.8565657449832996
Energy: 0.8377614330658346
Energy: 0.8605957675083921
Energy: 0.8528563237285147
Energy: 0.8508988807810681
Energy: 0.8824010803691195
Energy: 0.8690483358990176
Energy: 0.8519368519523801
Energy: 0.8545910714922382
Energy: 0.8509294229963977
Energy: 0.8825774743427408
Energy: 0.8493990741700657
Energy: 0.8510156237192181
Energy: 0.848460602673263
Energy: 0.8501595069506206
Energy: 0.8577905134816055
Energy: 0.8619735971947726
Energy: 0.8550131326709726
Energy: 0.8481100559713904
Energy: 0.8597347485262447
Energy: 0.8577125274315399
Energy: 0.8588496923435244
Energy: 0.8574363916536756
Energy: 0.8570764717961986
Energy: 0.8593023110143614
Energy: 0.8630480435655555
Energy: 0.848001069301311
Energy: 0.8642708046565591
Energy: 0.859351230640614
Energy: 0.8583652746333794
Energy: 0.8526540480315236
Energy: 0.8486184013728426
Energy: 0.8502322890756547
Energy: 0.8492423791592941
Energy: 0.8977201913927692
Energy: 0.9272746229443087
Energy: 0.8770995838790383
Energy: 0.8486886961942847
Energy: 0.8486168211708067
Energy: 0.8815141275693253
Energy: 0.9296562393004201
Energy: 0.8609290009520375
Energy: 0.8495337110728782
Energy: 0.8771499377549123
Energy: 0.9326913462106976
Energy: 0.8657489892051716
Energy: 0.8936399929621832
Energy: 0.8781809535430557
Energy: 0.8748360821402349
Energy: 0.9330266463381867
Energy: 0.8711042623462497
Energy: 0.8593227831682594
Energy: 0.877753307404615
Energy: 0.8828048815779915
Energy: 0.8839446988755727
Energy: 0.8790291280438117
Energy: 0.8514227607478276
Energy: 0.8610522041937593
Energy: 0.8816475601538242
Energy: 0.8854473769181006
Energy: 0.8674633753268591
Energy: 0.8483349131850783
Energy: 0.8813433838565752
Energy: 0.8666554890190601
Energy: 0.8644388028926391
Energy: 0.868135223551519
Energy: 0.8660846709718162
Energy: 0.8568439649570005
Energy: 0.8729223643488867
Energy: 0.8651491886437284
Energy: 0.8688646891198908
Energy: 0.8594432711053243
Energy: 0.8574019414047972
Energy: 0.875964182273578
Energy: 0.8666936561340828
Energy: 0.8561642629167497
Energy: 0.8514347789555536
Energy: 0.8967928732923819
Energy: 0.8694154028187381
Energy: 0.865906059697224
Energy: 0.857304690657861
Energy: 0.8512071388425548
Energy: 0.8944085672728859
Energy: 0.8512799540249549
Energy: 0.8654318895439912
Energy: 0.8503321231762484
Energy: 0.8516441398177255
Energy: 0.8643135315506969
Energy: 0.8493431838669938
Energy: 0.8698781505348281
Energy: 0.9284849612724193
Energy: 0.8517702642765546
Energy: 0.8640652157727572
Energy: 0.9798688249927358
Energy: 0.851138900160964
Energy: 0.8757685847209924
Energy: 0.858134325033538
Energy: 0.864929813850055
Energy: 0.972938282841406
Energy: 0.8510749653674613
Energy: 0.8786773033474886
Energy: 0.8613203859994941
Energy: 0.8587120487713433
Energy: 0.8787568649152464
Energy: 0.8653208636708378
Energy: 0.8731619502339308
Energy: 0.8612252758371254
Energy: 0.8471280398002276
Energy: 0.878542494385036
Energy: 0.865004597670413
Energy: 0.8708607569438597
Energy: 0.8621608692632697
Energy: 0.8515908417190352
Energy: 0.8547307405962247
Energy: 0.8778571972362852
Energy: 0.8747605340592545
Energy: 0.8670510558665935
Energy: 0.8716724338373955
Energy: 0.8461513686990092
Energy: 0.8750902163916692
Energy: 0.8652863368025615
Energy: 0.8675887809161736
Energy: 0.8577898724840705
Energy: 0.8661143865837275
Energy: 0.8657862502955942
Energy: 0.8881699178010054
Energy: 0.8920290500396076
Energy: 0.867330297754033
Energy: 0.8969760030172453
Energy: 0.8665873673015323
Energy: 0.87097463217454
Energy: 0.8702979406326501
Energy: 0.8779089515072013
Energy: 0.9296208975087296
Energy: 0.8581414462599086
Energy: 0.8831477116664752
Energy: 0.856219863077312
Energy: 0.851825872891889
Energy: 0.9282256906554427
Energy: 0.8771870135243395
Energy: 0.8687645332719459
Energy: 0.856571210282128
Energy: 0.859804388444661
Energy: 0.8642703647988759
Energy: 0.8968055459585472
Energy: 0.8522275652993812
Energy: 0.9346790592847783
Energy: 0.8548235793872218
Energy: 0.8679038306255608
Energy: 0.8769093786828455
Energy: 0.852056816160229
Energy: 0.9348785355380286
Energy: 0.852429518913271
Energy: 0.8750219484647941
Energy: 0.8570255778801796
Energy: 0.855389858610936
Energy: 0.8533087360434622
Energy: 0.8538243105117308
Energy: 0.8380765933073041
Energy: 0.8576895266351126
Energy: 0.8688833638689261
Energy: 0.847756033516517
Energy: 0.8508275309205194
Energy: 0.8549233270824762
Energy: 0.8623772033439983
Energy: 0.848869291905831
Energy: 0.8503803471456179
Energy: 0.8565379740523624
Energy: 0.8809625802799854
Energy: 0.857285772872649
Energy: 0.8481377845544031
Energy: 0.8523535240087038
Energy: 0.8545326771609305
Energy: 0.8756657046794214
Energy: 0.8619709275028605
Energy: 0.8497655736898009
Energy: 0.8478141906118154
Energy: 0.8535866978726294
Energy: 0.8750275222823519
Energy: 0.8517523189957558
Energy: 0.8492485951609985
Energy: 0.8481383839537407
Energy: 0.8448819017320975
Energy: 0.8642274157250441
Energy: 0.8804058662566543
Energy: 0.8473697538202811
Energy: 0.8571994779973325
Energy: 0.8460467810322266
Energy: 0.8459098242831145
Energy: 0.8802080379696238
Energy: 0.8481218975705141
Energy: 0.8576688556348846
Energy: 0.860984820290928
Energy: 0.8807309807499547
Energy: 0.8655057031374325
Energy: 0.846966574516484
Energy: 0.8535406963597058
Energy: 0.8650515975101537
Energy: 0.8771660139201193
Energy: 0.8657748333697327
Energy: 0.975360219529927
Energy: 0.8465019008607925
Energy: 0.864577839849782
Energy: 0.8605577390747068
Energy: 0.9238398261062959
Energy: 0.8724568252168403
Energy: 0.876755809606696
Energy: 0.8680167795034446
Energy: 0.85975967192991
Energy: 0.9243327466496498
Energy: 0.8768346508077464
Energy: 0.8668904777969616
Energy: 0.9323280901499519
Energy: 0.8828416158131019
Energy: 0.838215969076485
Energy: 0.8539309401653791
Energy: 0.8836846493004149
Energy: 0.8812402720252566
Energy: 0.8835946633022786
Energy: 0.838954196436232
Energy: 0.853791328702476
Energy: 0.882932599214472
Energy: 0.8882271701984161
Energy: 0.8740246033640138
Energy: 0.8670053730374864
Energy: 0.8477546596354685
Energy: 0.8667307901783399
Energy: 0.8688767792538881
Energy: 0.8627539077349392
Energy: 0.8581525878858364
Energy: 0.8491882637141527
Energy: 0.8665649349380993
Energy: 0.8671501287808815
Energy: 0.8497096448425948
Energy: 0.869865340756584
Energy: 0.8582329513079925
Energy: 0.8588005471286255
Energy: 0.8721757783219716
Energy: 0.8582802567226503
Energy: 0.8743546916366426
Energy: 0.8579354006156961
Energy: 0.8605510522728338
Energy: 0.8727498084520139
Energy: 0.8697202989491981
Energy: 0.9157233962157217
Energy: 0.8662783609187497
Energy: 0.8525520351247384
Energy: 0.8682533597347923
Energy: 0.8541803961575005
Energy: 0.9294861599593046
Energy: 0.8656870674960135
Energy: 0.8571199161214842
Energy: 0.8679436236688868
Energy: 0.870364484358783
Energy: 0.8577933247731105
Energy: 0.8655818679966232
Energy: 0.9797425752317075
Energy: 0.8709387739998897
Energy: 0.8708285472989035
Energy: 0.8795161350110463
Energy: 0.8659990018033008
Energy: 0.9806722513811416
Energy: 0.8383356285557558
Energy: 0.8709260994048248
Energy: 0.8609933229268489
Energy: 0.8575300678136881
Energy: 0.8736955159718356
Energy: 0.8706295789204556
Energy: 0.8750005610583981
Energy: 0.8592544042270932
Energy: 0.8580193337960714
Energy: 0.8761894394818044
Energy: 0.8699564006206031
Energy: 0.8683378162608522
Energy: 0.8661003612693507
Energy: 0.8628597014367355
Energy: 0.865934041075842
Energy: 0.8768409986697046
Energy: 0.8701000953163266
Energy: 0.8663652104875605
Energy: 0.8628768487292915
Energy: 0.8657125822843081
Energy: 0.8796665223694057
Energy: 0.8802669629829746
Energy: 0.882229595347349
Energy: 0.9069685848441505
Energy: 0.8486326208750958
Energy: 0.8673018799740069
Energy: 0.8715204643789396
Energy: 0.884402960861598
Energy: 0.9072300786389191
Energy: 0.8477229260183855
Energy: 0.867941130851752
Energy: 0.887207434819754
Energy: 0.8686896668092705
Energy: 0.8756964244843857
Energy: 0.9242953472958978
Energy: 0.8609112065538852
Energy: 0.8886375572323701
Energy: 0.8772964363395495
Energy: 0.8722579687325485
Energy: 0.9238123124276071
Energy: 0.8585244193614059
Energy: 0.8828304119952936
Energy: 0.8529921124955264
Energy: 0.9321409588928138
Energy: 0.865949756705936
Energy: 0.8677527371228253
Energy: 0.8641496548334914
Energy: 0.8715652758238356
Energy: 0.8672710426266506
Energy: 0.8663066695638328
Energy: 0.8781237452024371
Energy: 0.8602245096301077
Energy: 0.8558691604125299
Energy: 0.8508732959805229
Energy: 0.8504266857691185
Energy: 0.8439084546208576
Energy: 0.8787878422336853
Energy: 0.8664847359594818
Energy: 0.8516567798931338
Energy: 0.853665709467941
Energy: 0.9849857338114596
Energy: 0.8446615457826063
Energy: 0.8478452644965455
Energy: 0.8493218401239281
Energy: 0.8512116819033513
Energy: 0.846640755203488
Energy: 0.8488123850286747
Energy: 0.8524374097350347
Energy: 0.8501391825088995
Energy: 0.8528706884133989
Energy: 0.8535615859025161
Energy: 0.8578221304199718
Energy: 0.8541853802382751
Energy: 0.847826702893822
Energy: 0.8567769461324107
Energy: 0.8832493072785019
Energy: 0.855587243083152
Energy: 0.8527893834794886
Energy: 0.8490046143462279
Energy: 0.8570469334957524
Energy: 0.8826705464370969
Energy: 0.859937267285794
Energy: 0.847531530038226
Energy: 0.8672986550163015
Energy: 0.9152053328277389
Energy: 0.8552771243189625
Energy: 0.8537679341437119
Energy: 0.8763145246523152
Energy: 0.8552251523209318
Energy: 0.9237448599014062
Energy: 0.8535141075845991
Energy: 0.8562032332173729
Energy: 0.9731238026088351
Energy: 0.8530692691691637
Energy: 0.896843858550756
Energy: 0.865892117841353
Energy: 0.8505401929605342
Energy: 0.9728203284744814
Energy: 0.8545071564239782
Energy: 0.8984685614674317
Energy: 0.8668795595015196
Energy: 0.852116823391953
Energy: 0.8565048901083148
Energy: 0.8685650864903368
Energy: 0.8559218324612298
Energy: 0.8919309576109151
Energy: 0.8520205651675697
Energy: 0.8630565600148117
Energy: 0.8690503233997358
Energy: 0.8578440196410219
Energy: 0.9303613830422346
Energy: 0.8889318249110489
Energy: 0.8537542614997374
Energy: 0.8746148097489139
Energy: 0.8684339169909517
Energy: 0.8977698002335681
Energy: 0.8657374201019694
Energy: 0.8669066353973914
Energy: 0.8694256824079055
Energy: 0.8668840420606557
Energy: 0.8741247719004251

minimum gb energy = 0.8377614330658346 eV
minimum distance =  2.46855129469843 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

Energy: 1.2901886979761885
Energy: 0.8746208555802315
Energy: 0.8833659259566543
Energy: 0.8667216688301618
Energy: 0.847117338917463
Energy: 1.0210685692322259
Energy: 0.8685429410181609
Energy: 0.884782787615449
Energy: 0.8753631706833283
Energy: 0.858820626536716
Energy: 0.8957930447821502
Energy: 0.8598164302783884
Energy: 0.8639387946562668
Energy: 0.8659822764761241
Energy: 0.8463876173323568
Energy: 0.8733830529266101
Energy: 0.851532619230325
Energy: 0.8743076742971727
Energy: 0.8726433094952346
Energy: 0.8755154563597625
Energy: 0.8735992099578871
Energy: 0.9006924403100941
Energy: 0.8726347259082713
Energy: 0.8757093396871914
Energy: 0.884492825922105
Energy: 0.8555163121759022
Energy: 0.8769134182717239
Energy: 0.8724119485974846
Energy: 0.8899167112661437
Energy: 0.878332827228918
Energy: 0.8550873502027012
Energy: 0.8637290683758947
Energy: 0.8417577220326761
Energy: 0.8593280918372709
Energy: 0.8669733051738051
Energy: 0.8897010548291565
Energy: 0.8544090568902063
Energy: 0.8423686005219134
Energy: 0.8733073912187825
Energy: 0.8818258338745614
Energy: 0.8618330904886782
Energy: 0.8430732431663107
Energy: 0.8412541501737124
Energy: 0.8800371551470971
Energy: 0.8768256666650943
Energy: 0.8589038622546225
Energy: 0.8400713403901291
Energy: 0.8389262395219442
Energy: 0.8807528998600997
Energy: 0.878202709623934
Energy: 0.8520321463754542
Energy: 0.8794331577985188
Energy: 0.8699639952550227
Energy: 0.8722229180228658
Energy: 0.8728355735908719
Energy: 0.8499678950220945
Energy: 0.8732083685041245
Energy: 0.872198704877067
Energy: 0.873427864908912
Energy: 0.8746047842443544
Energy: 0.8524429494578428
Energy: 0.9003113296276294
Energy: 0.8635567213896556
Energy: 0.8775454055553382
Energy: 0.8722541880236442
Energy: 0.8529631942606355
Energy: 0.8484552728818195
Energy: 0.8849306344986189
Energy: 0.8787099342511486
Energy: 0.8735301133825291
Energy: 0.8703590138257892
Energy: 0.8729676458775522
Energy: 0.9047429832614792
Energy: 0.9103576849240573
Energy: 0.8885491876636917
Energy: 0.910093600735132
Energy: 0.856750306541505
Energy: 0.9053471509972559
Energy: 0.9136085454367813
Energy: 0.8728002651488787
Energy: 0.8834583396877236
Energy: 0.8646707706775216
Energy: 0.8659160508329478
Energy: 0.8817983570941658
Energy: 0.9240077470633878
Energy: 0.8702259053058048
Energy: 0.8639546614932162
Energy: 0.8672401462832412
Energy: 0.8882888376238708
Energy: 0.9239517429805034
Energy: 0.864307048244374
Energy: 0.8646456593967903
Energy: 0.8679421618736511
Energy: 0.8805021724152273
Energy: 0.8727790573675598
Energy: 0.8773987632256931
Energy: 0.863719742534723
Energy: 0.941017588351885
Energy: 0.87995760971102
Energy: 0.8685209212293564
Energy: 0.8702302318221182
Energy: 0.8526127577376439
Energy: 0.8328991060938213
Energy: 0.8311110761175825
Energy: 0.8869539105748447
Energy: 0.8615736875100082
Energy: 0.8859399455694744
Energy: 0.8315006059766784
Energy: 0.8312148990208148
Energy: 0.8864166660600671
Energy: 0.8408476835938733
Energy: 0.8612634224140783
Energy: 0.8801627190415845
Energy: 0.8505359969547586
Energy: 0.8667424974843116
Energy: 0.8419630673855742
Energy: 0.8619593447948893
Energy: 0.8806510199829913
Energy: 0.8504333737563278
Energy: 0.8662715838321341
Energy: 0.864840495037716
Energy: 0.8895689421187528
Energy: 0.8686916811916334
Energy: 0.860429515783352
Energy: 0.8517698017695404
Energy: 0.865028434189685
Energy: 0.9209847682703697
Energy: 0.8694782854805948
Energy: 0.8643984503187166
Energy: 0.8686445235388685
Energy: 0.8715837959611189
Energy: 0.8564531772054097
Energy: 0.9206166563427921
Energy: 0.8985473324857673
Energy: 0.8402422525623401
Energy: 0.8715467536482745
Energy: 0.8700355173525408
Energy: 0.9218310910472503
Energy: 0.900021728179918
Energy: 0.8564687204117877
Energy: 0.8448888428361085
Energy: 0.8774296523018275
Energy: 0.8549941133952835
Energy: 0.8716872531322108
Energy: 0.8376958220660495
Energy: 0.8939716777761247
Energy: 0.8774990230197347
Energy: 0.8551415403366421
Energy: 0.8715042794601446
Energy: 0.856569838026754
Energy: 0.8742108600166378
Energy: 0.8707486099636843
Energy: 0.8578847342330839
Energy: 0.892361865099438
Energy: 0.8675731993406569
Energy: 0.874445735121563
Energy: 0.8707413264852959
Energy: 0.8514186186510341
Energy: 0.8647944093735123
Energy: 0.8696359473054482
Energy: 0.882356686712596
Energy: 0.8788707686031385
Energy: 0.8917842494221425
Energy: 0.8780025969918746
Energy: 0.8494620438107817
Energy: 0.882878728501928
Energy: 0.8746764939285676
Energy: 0.8925209033722359
Energy: 0.9464708695818516
Energy: 0.8506174071903073
Energy: 0.8719632650564202
Energy: 0.9076968388643817
Energy: 0.8790301954256511
Energy: 0.9042156214975042
Energy: 0.8640128082128935
Energy: 0.8956856925743448
Energy: 0.8947923308550402
Energy: 0.8823624061175118
Energy: 0.8849134313059931
Energy: 0.8644698677953607
Energy: 0.8797114368063856
Energy: 0.8799628058442112
Energy: 0.8976419775529411
Energy: 0.8544002100587925
Energy: 0.9376129894949621
Energy: 0.8825229263364727
Energy: 0.9121302817141815
Energy: 0.8977488630524927
Energy: 0.8553332194339438
Energy: 0.9372576536099355
Energy: 0.8926726670266045
Energy: 0.8635819417579165
Energy: 0.8674528705815162
Energy: 0.8662655909678488
Energy: 0.8644000136717424
Energy: 0.8919945389204673
Energy: 0.8632982992273048
Energy: 0.8683351142020431
Energy: 0.86648913624479
Energy: 0.8641496502263772
Energy: 1.0198811084725181
Energy: 0.8749476146015361
Energy: 0.8579630306168585
Energy: 0.8533371409851671
Energy: 0.8465795193873344
Energy: 0.8571557306898355
Energy: 0.8715991824467364
Energy: 0.8561067340817353
Energy: 0.8536921048431576
Energy: 0.8468440498441194
Energy: 0.8878616419145448
Energy: 0.84990064962948
Energy: 0.8662017827613251
Energy: 0.8695717520766201
Energy: 0.882971961249022
Energy: 0.8858706466529973
Energy: 0.8501430260838113
Energy: 0.8658588096558892
Energy: 0.8697751119781774
Energy: 0.8813273043635004
Energy: 0.8567696957908866
Energy: 0.876685055767884
Energy: 0.8665288535764684
Energy: 0.8928959598796278
Energy: 0.8818550616831404
Energy: 0.8577023491095299
Energy: 0.8755234260635593
Energy: 0.8671824778062953
Energy: 0.8939177529149198
Energy: 0.8818940295918822
Energy: 0.8854572171818393
Energy: 0.8442621479223095
Energy: 0.8422980028590059
Energy: 0.8688320801628834
Energy: 0.8830323001857101
Energy: 0.8993353187979046
Energy: 0.8811241347608857
Energy: 0.8394976396553505
Energy: 0.8694945372013256
Energy: 0.8797036858958648
Energy: 0.9061467031981023
Energy: 0.8433357385367489
Energy: 0.8636479696463792
Energy: 0.8804447907739558
Energy: 0.8792685710613788
Energy: 0.8634871894753819
Energy: 0.8429017906708253
Energy: 0.8549791236821981
Energy: 0.8768903026285745
Energy: 0.8788489769457268
Energy: 0.8537149005466546
Energy: 0.8677548339423713
Energy: 0.8787202916630384
Energy: 0.8733629665527177
Energy: 0.8707045311513235
Energy: 0.8538970350458126
Energy: 0.8671959077372831
Energy: 0.8750916857447213
Energy: 0.8730882111297784
Energy: 0.8734974601131702
Energy: 0.8459673070781442
Energy: 0.9313256716038648
Energy: 0.8895954460257081
Energy: 0.8807575209415153
Energy: 0.8913996310817092
Energy: 0.8467701328178827
Energy: 0.8503192981636278
Energy: 0.8918589769492654
Energy: 0.880204644667487
Energy: 0.8914398285694509
Energy: 0.9237595124135988
Energy: 0.8685389130802725
Energy: 0.8640398640374055
Energy: 0.9109914041305726
Energy: 0.8953622125944748
Energy: 0.8673547936195285
Energy: 0.8636648045906281
Energy: 0.8679998548588408
Energy: 0.9101398677236664
Energy: 0.8722242483748035
Energy: 0.8689145549745908
Energy: 0.8645113591935931
Energy: 0.8665035719268612
Energy: 0.8883253801981355
Energy: 0.8786033071290216
Energy: 0.8765179881679407
Energy: 0.8637215143452917
Energy: 0.8666245586972164
Energy: 0.881390994896674
Energy: 0.8664962064734049
Energy: 0.9624077792751312
Energy: 0.8560450233682582
Energy: 0.855550686158557
Energy: 0.8918104432004008
Energy: 0.8711401053848743
Energy: 0.8797869756516736
Energy: 0.8566518212518768
Energy: 0.8782814846221129
Energy: 0.8599428069222818
Energy: 0.8683482101919733
Energy: 0.8589921337346195
Energy: 0.8471764815347024
Energy: 0.8330494865655839
Energy: 0.8286597631983882
Energy: 0.8831493165651556
Energy: 0.8584094124042648
Energy: 0.8804932578879419
Energy: 0.8331353066478953
Energy: 0.8283526701312083
Energy: 0.883520741255781
Energy: 0.8668289554374907
Energy: 0.8622484227216024
Energy: 0.8821076499432409
Energy: 0.8840036358703284
Energy: 0.864686665567152
Energy: 0.868426460032369
Energy: 0.8658037882397603
Energy: 0.8816547384616974
Energy: 0.8502686007049298
Energy: 0.8652359712060385
Energy: 0.8688174997662846
Energy: 0.8655668145401765
Energy: 0.8679000801516068
Energy: 0.8629401115700258
Energy: 0.8539926024885885
Energy: 0.8784002640452466
Energy: 0.8661667351179273
Energy: 0.8685477673001065
Energy: 0.8616532492233437
Energy: 0.8757013462706146
Energy: 0.8465150546739878
Energy: 0.8601835616753853
Energy: 0.9146825155384466
Energy: 0.8618851374427868
Energy: 0.8824244741893748
Energy: 0.8569318890653884
Energy: 0.8928245094327438
Energy: 0.8667465235069014
Energy: 0.8985469233731788
Energy: 0.9491852157861708
Energy: 0.9024647676636641
Energy: 0.8753407129814337
Energy: 0.8537312403850476
Energy: 0.8634385353323905
Energy: 0.8928943280666142
Energy: 0.8835772113761423
Energy: 0.874264457133725
Energy: 0.897982832719618
Energy: 0.8634865776527314
Energy: 0.8399603964365927
Energy: 0.8732831810335417
Energy: 0.8719061015191846
Energy: 0.8600431490649103
Energy: 0.8684104601938611
Energy: 0.8750489588639937
Energy: 0.8714710549566229
Energy: 0.8705804235382553
Energy: 0.8539742100605723
Energy: 0.8905060251907252
Energy: 0.8584812685382474
Energy: 0.8836857677312614
Energy: 0.877606262172364
Energy: 0.8966265072918082
Energy: 0.8479165716705815
Energy: 0.8466940096309276
Energy: 0.8769130490017689
Energy: 0.8770303889684977
Energy: 0.8881356220417513
Energy: 0.930701788891696
Energy: 0.8495090564558353
Energy: 0.890619094127764
Energy: 0.9096948346806994
Energy: 0.8774485974395532
Energy: 0.8691218260941713
Energy: 0.857814123112453
Energy: 0.8954143496624212
Energy: 0.9105118175867852
Energy: 0.9072429198664699
Energy: 0.8684172858595567
Energy: 0.8624178677083555
Energy: 0.8795634624539617
Energy: 0.8782385091644207
Energy: 0.8947992667376128
Energy: 0.8592289605390491
Energy: 0.8585717684896614
Energy: 0.8781810133022213
Energy: 0.8570247881851791
Energy: 0.9056935945882906
Energy: 0.8553535429588346
Energy: 0.944929675583636
Energy: 0.8377806101224642
Energy: 0.8638602469364797
Energy: 0.873651907510868
Energy: 0.9061910568149787
Energy: 0.8586580666575863
Energy: 0.8555557008836506
Energy: 0.8612244850344777
Energy: 0.8685611983090857
Energy: 0.8665156379667832
Energy: 0.8637941571133132

minimum gb energy = 0.8283526701312083 eV
minimum distance =  2.46960119564189 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8168684074558019
Energy: 0.828121739492948
Energy: 0.8765958847884721
Energy: 0.8279232087209073
Energy: 0.8131889284139352
Energy: 0.8161533980756113
Energy: 0.8277021630395727
Energy: 0.8735450203106814
Energy: 0.828362373933717
Energy: 0.8131825374681964
Energy: 0.8611581794938644
Energy: 0.8201076474433981
Energy: 0.819305476395227
Energy: 0.8186177390377387
Energy: 0.8304646955900562
Energy: 0.8588674925431625
Energy: 0.8202822898197446
Energy: 0.8144140962031963
Energy: 0.8206881403097385
Energy: 0.8532550409795189
Energy: 0.8281248332828343
Energy: 0.8213218088801831
Energy: 0.8216342703628868
Energy: 0.8290243694893749
Energy: 0.8615237871974434
Energy: 0.8280624597397236
Energy: 0.820558106018599
Energy: 0.8211521202603855
Energy: 0.873795342991039
Energy: 0.8625095006882281
Energy: 0.8742114797742394
Energy: 0.8141918015607871
Energy: 0.8128989786157045
Energy: 0.8275967994883849
Energy: 0.8316800402647357
Energy: 0.8752397546239088
Energy: 0.81456169068433
Energy: 0.8130722931855481
Energy: 0.828504856760096
Energy: 0.8177723290405081
Energy: 0.8218578903096077
Energy: 0.8129116809363308
Energy: 0.8138715591947919
Energy: 0.8615763820185202
Energy: 0.8280636444105639
Energy: 0.8208726110574477
Energy: 0.814720314036645
Energy: 0.8137782897384057
Energy: 0.8235965127162024
Energy: 0.8201073805126391
Energy: 0.8198247267573873
Energy: 0.87340529252874
Energy: 0.8278215077290202
Energy: 0.8201711174022795
Energy: 0.8233276619154427
Energy: 0.8211726912017163
Energy: 0.8719075970816835
Energy: 0.8274943401382041
Energy: 0.8207734831241573
Energy: 0.8226309556445955
Energy: 0.8280356805372395
Energy: 0.8122671723296156
Energy: 0.8283693771237527
Energy: 0.8203406775628481
Energy: 0.8238277724082352
Energy: 0.8248511854841404
Energy: 0.8108060790739965
Energy: 0.8283139185211938
Energy: 0.8199539525890449
Energy: 0.8214354084619659
Energy: 0.853172443910363
Energy: 0.8583534296505471
Energy: 0.8273827952415025
Energy: 0.8144796824860873
Energy: 0.8129242062981872
Energy: 0.8537349533219031
Energy: 0.8609079893115561
Energy: 0.8275618680998389
Energy: 0.82438518600459
Energy: 0.8129013286192129
Energy: 0.820715838018043
Energy: 0.8133998946061844
Energy: 0.8194305288053576
Energy: 0.81269704336418
Energy: 0.8619321545724877
Energy: 0.8204173207600223
Energy: 0.8188699795225576
Energy: 0.8203991289556758
Energy: 0.8132245216071498
Energy: 0.8667530903959145
Energy: 0.8209066350288297
Energy: 0.8221089252866712
Energy: 0.8609995915938522
Energy: 0.8755658813287986
Energy: 0.828000199138749
Energy: 0.8265983373170669
Energy: 0.8268191802549909
Energy: 0.8620876748137969
Energy: 0.8547423971579109
Energy: 0.8216345232932146
Energy: 0.8142674249913281
Energy: 0.8283751048219028
Energy: 0.8261224886772989
Energy: 0.8237220145937059
Energy: 0.8633788097921625
Energy: 0.8139821898649772
Energy: 0.8285352834303314
Energy: 0.81084655857929
Energy: 0.8749259984136523
Energy: 0.8637808883257688
Energy: 0.8171021899552949
Energy: 0.8272692434680968
Energy: 0.8737183879668484
Energy: 0.8274095280605751
Energy: 0.8132767537095994
Energy: 0.8169112747447926
Energy: 0.827957123902614
Energy: 0.8735610287852406
Energy: 0.827988754433092
Energy: 0.8130800524343018
Energy: 0.8607638965682067
Energy: 0.8199551040170219
Energy: 0.8187508052776555
Energy: 0.8188036491876683
Energy: 0.8289125216520734
Energy: 0.8590742495664363
Energy: 0.8202464175893391
Energy: 0.8137628734732394
Energy: 0.8206317190999494
Energy: 0.8534724294133413
Energy: 0.8282397345905902
Energy: 0.8215716557725353
Energy: 0.822017139445597
Energy: 0.874452704502128
Energy: 0.8617610030243266
Energy: 0.8281362712397317
Energy: 0.8209382478798202
Energy: 0.821389767815722
Energy: 0.8731705845282165
Energy: 0.8624956105038234
Energy: 0.8740853592534691
Energy: 0.8139678962002123
Energy: 0.8128295806169256
Energy: 0.827782777746817
Energy: 0.8731867961394115
Energy: 0.873816604688664
Energy: 0.8143289526305748
Energy: 0.813051945142157
Energy: 0.8280575128842771
Energy: 0.863878922503372
Energy: 0.8222502988785553
Energy: 0.8129716597128847
Energy: 0.8139169531992301
Energy: 0.8279319553233715
Energy: 0.8275520236586152
Energy: 0.8205911522688398
Energy: 0.8151969620524846
Energy: 0.813678424728015
Energy: 0.8217150018991076
Energy: 0.8293361305217702
Energy: 0.8199901617359358
Energy: 0.8728999699652467
Energy: 0.8277520746867244
Energy: 0.819943868489655
Energy: 0.8237054870148036
Energy: 0.8208494135253226
Energy: 0.8722157968235891
Energy: 0.8274016710649362
Energy: 0.8204160232810531
Energy: 0.8231623373888269
Energy: 0.8752016321680058
Energy: 0.8122068125352031
Energy: 0.8285547758204208
Energy: 0.8197040680883972
Energy: 0.8258021159026516
Energy: 0.828959974654394
Energy: 0.8108399697233913
Energy: 0.8283353129358063
Energy: 0.8197890813337065
Energy: 0.8219513572825113
Energy: 0.8528834016545076
Energy: 0.8585262471276875
Energy: 0.8277613887895885
Energy: 0.8143427452399875
Energy: 0.8130371382689441
Energy: 0.8540808308720239
Energy: 0.860725840915901
Energy: 0.8278795179897198
Energy: 0.8226136429530801
Energy: 0.8130579290792082
Energy: 0.82058494152267
Energy: 0.8134900680396862
Energy: 0.8200920475317117
Energy: 0.8130507495980077
Energy: 0.8631373064857251
Energy: 0.8201561018429155
Energy: 0.8185248211555005
Energy: 0.8195912434823318
Energy: 0.8131797964496895
Energy: 0.8227605924038822
Energy: 0.8205351087161407
Energy: 0.8222385063033415
Energy: 0.8613280138767085
Energy: 0.8740438221582807
Energy: 0.8279298510112868
Energy: 0.8218879909972957
Energy: 0.8265947366223979
Energy: 0.8644531125003487
Energy: 0.8546963870099669
Energy: 0.8212128801671715
Energy: 0.8139694459231513
Energy: 0.8282848248703719
Energy: 0.8261585671941873
Energy: 0.8239327407640525
Energy: 0.8622191200034182
Energy: 0.8136853084277755
Energy: 0.8285434036002688
Energy: 0.8108238781428705
Energy: 0.8242579186232559
Energy: 0.8610767711953785

minimum gb energy = 0.8108060790739965 eV
minimum distance =  2.49449913151162 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.4809025814614376
Energy: 0.8840664117142375
Energy: 0.8764302883172282
Energy: 0.8256658771550759
Energy: 0.8455840174480552
Energy: 0.8367319575260761
Energy: 0.91978471900066
Energy: 0.8699585658256442
Energy: 0.8790707465283919
Energy: 0.9166353902128206
Energy: 0.8261855326568254
Energy: 0.8990717946024903
Energy: 0.8495169679194237
Energy: 0.8523166161032927
Energy: 0.9104514647368394
Energy: 0.8153457180619074
Energy: 0.893291495312836
Energy: 0.8498038630554622
Energy: 0.9145868468150948
Energy: 0.8647046068808838
Energy: 0.9166823431000135
Energy: 0.8589411741279638
Energy: 0.9130924979119625
Energy: 0.8695750969747572
Energy: 0.8407506644018461
Energy: 0.9158424965006817
Energy: 0.8703668780178433
Energy: 0.9151366527135134
Energy: 0.8648395210207475
Energy: 0.9415985628055377
Energy: 0.8652245847719027
Energy: 0.8257540062367867
Energy: 0.8983067759150593
Energy: 0.9195610516605253
Energy: 0.9449291474411857
Energy: 0.8695121986168354
Energy: 0.8932366876579068
Energy: 0.8977377916056762
Energy: 0.9473879760934093
Energy: 0.9430541060944079
Energy: 0.9468127513166477
Energy: 0.8753664671255164
Energy: 0.825751474363606
Energy: 0.8335145195659778
Energy: 0.8028249286221164
Energy: 0.9404707581076426
Energy: 0.863020842504287
Energy: 0.8717247194031487
Energy: 0.8254034129595634
Energy: 0.8764253025933899
Energy: 0.8442828987897087
Energy: 0.8257729872802809
Energy: 0.8253071235738304
Energy: 0.9436402308349481
Energy: 1.0183647384787176
Energy: 0.8678124316479732
Energy: 0.8259396111734185
Energy: 0.8257384039618376
Energy: 0.9490032406165977
Energy: 1.018489387282374
Energy: 0.8259800078391251
Energy: 0.8281541152094019
Energy: 0.8453425503857689
Energy: 0.9138645434305495
Energy: 0.8819013999167744
Energy: 0.8281730367864583
Energy: 0.8270529329740093
Energy: 0.846520179969065
Energy: 0.8160420184348386
Energy: 0.9199300669008097
Energy: 0.8256305713018005
Energy: 0.8307393129906071
Energy: 0.826830327475544
Energy: 0.836630569290538
Energy: 0.927116302529109
Energy: 0.8274581824737393
Energy: 0.8256674781621894
Energy: 0.8271553828543722
Energy: 0.8310743200283982
Energy: 0.8780409513914723
Energy: 0.8371413026907067
Energy: 1.0231809895420878
Energy: 0.8859352051472233
Energy: 0.9086159364674399
Energy: 0.8377171782879395
Energy: 0.8371967750627416
Energy: 1.0228515831087548
Energy: 0.8874478171275111
Energy: 0.9082067724701773
Energy: 0.8299903245747999
Energy: 0.8836868611934952
Energy: 0.8377334425732358
Energy: 0.8310138474320719
Energy: 0.8308666635293807
Energy: 0.8316278841884764
Energy: 0.8370050294396283
Energy: 0.8364324648469169
Energy: 0.8309717471417368
Energy: 0.8310147830587084
Energy: 0.8316084845106809
Energy: 0.865753816953669
Energy: 0.88104294302416
Energy: 0.8319808688714067
Energy: 0.8339611780965802
Energy: 0.8307588055200554
Energy: 0.8808202354125892
Energy: 0.8883231586134351
Energy: 0.8324916109657108
Energy: 0.8307105791289274
Energy: 0.8305292945064228
Energy: 0.9646239406147235
Energy: 0.9416155785564959
Energy: 0.8276102073204695
Energy: 0.8173171719144301
Energy: 0.9634925248786861
Energy: 0.9460740407128913
Energy: 0.9422722287251091
Energy: 0.8347314443204802
Energy: 0.8226275131885455
Energy: 0.9186618502660467
Energy: 0.889359738793965
Energy: 0.8823765342928328
Energy: 0.9211438897058383
Energy: 0.837624208309214
Energy: 0.8871893285358018
Energy: 0.8900773972568491
Energy: 0.9107230739057725
Energy: 0.9213543094094822
Energy: 0.8399269135101632
Energy: 0.9221654230945262
Energy: 0.8617886841785694
Energy: 0.9061121426878166
Energy: 0.8190265079342576
Energy: 0.9327999892356005
Energy: 0.9024932280137445
Energy: 0.8550076365931518
Energy: 0.9149705516773978
Energy: 0.799409456273129
Energy: 0.9237053188411153
Energy: 0.9070543084022362
Energy: 0.8315354025085155
Energy: 0.871200806537257
Energy: 0.9473008005937588
Energy: 0.938374349139178
Energy: 0.8845842555070218
Energy: 0.8319780888267861
Energy: 0.8723943105126368
Energy: 0.9478659958161646
Energy: 0.8591715417627374
Energy: 0.9046109233394514
Energy: 0.8819272528066613
Energy: 0.9474831956667227
Energy: 0.8819135141561311
Energy: 0.8748848578795521
Energy: 0.8648047103396439
Energy: 0.8828130962548463
Energy: 0.94675808373182
Energy: 0.8813097526138655
Energy: 0.8745438921672433
Energy: 0.8341973583646697
Energy: 0.8176130348590454
Energy: 0.8270729350567129
Energy: 0.8889435011936312
Energy: 0.9489886824577216
Energy: 0.9295116231335503
Energy: 0.8736632734769558
Energy: 0.8371412805667595
Energy: 0.9540413619538799
Energy: 0.9363663250232216
Energy: 0.8403183789205042
Energy: 0.8262606983442482
Energy: 1.0221160160299723
Energy: 1.008373990475801
Energy: 0.8355987498154627
Energy: 0.8261178091570358
Energy: 0.8996454499403741
Energy: 1.0220459127432266
Energy: 1.0076986792737306
Energy: 0.8319112954180835
Energy: 0.8259901829106412
Energy: 0.830608687678122
Energy: 0.938386245609851
Energy: 0.8272416976833661
Energy: 0.8277283874515617
Energy: 0.8294822177689933
Energy: 0.8297642730221637
Energy: 0.8177443380511653
Energy: 0.8270953789238688
Energy: 0.8335740003827328
Energy: 0.8342868122936506
Energy: 0.8180390738337069
Energy: 0.9289039967323744
Energy: 0.8802569943918571
Energy: 0.8263323389737803
Energy: 0.8259308056695789
Energy: 0.8690029225304724
Energy: 0.927994160305314
Energy: 0.8670557381796763
Energy: 0.8263833442778216
Energy: 0.8260621557748187
Energy: 0.8771013390892378
Energy: 0.8337429804672157
Energy: 0.8337873966450254
Energy: 0.8367466648086134
Energy: 0.8505820872265045
Energy: 0.8893924046710119
Energy: 0.8213081559938754
Energy: 0.831319582749686
Energy: 0.8056395223911401
Energy: 0.8877801094679854
Energy: 0.8310646060169352
Energy: 0.8309816805072271
Energy: 0.8319382685315262
Energy: 1.0233094315600078
Energy: 0.8527117750002722
Energy: 0.8312548615447477
Energy: 0.8308235092993661
Energy: 0.8319472587244924
Energy: 1.0239843036868392
Energy: 0.8517695931203118
Energy: 0.8367607685385535
Energy: 0.8358534329593883
Energy: 0.832436562465136
Energy: 0.8264911831947215
Energy: 0.8384334731145885
Energy: 0.8351452756112644
Energy: 0.8364883687865142
Energy: 0.8277671053411683
Energy: 0.855837832925256
Energy: 0.8365156044032198
Energy: 0.8173601713494885
Energy: 0.8291095415640112
Energy: 0.9470275305155926
Energy: 0.9469400199430017
Energy: 0.8705098018845571
Energy: 0.8174923646654594
Energy: 0.8735758849124657
Energy: 0.9460336234958553
Energy: 0.9032734688503855
Energy: 0.8812648839574773
Energy: 0.8431138372003069
Energy: 0.8955636607841505
Energy: 0.9064092267288354
Energy: 0.8847887320001389
Energy: 0.7991849382885434
Energy: 0.8396691862491567
Energy: 0.8941368277377716
Energy: 0.8683201471846294
Energy: 0.8641961992405306
Energy: 0.8927345967857414
Energy: 0.8370199644557588
Energy: 0.87757763513321
Energy: 0.8533968398791653
Energy: 0.919882974165351
Energy: 0.9111344074093187
Energy: 0.8870337640491753
Energy: 0.8862878455824764
Energy: 0.8535555378019483
Energy: 0.9202643981847274
Energy: 0.9054510873927044
Energy: 0.9276988618790483
Energy: 0.8757054960833179
Energy: 0.9188635291190034
Energy: 0.8670591325445709
Energy: 0.8717379402512105
Energy: 0.9135272431229532
Energy: 0.876416711685672
Energy: 0.9190082523888504
Energy: 0.8712803519024491
Energy: 0.9472025266439775
Energy: 0.8743247088813981
Energy: 0.9189712399660415
Energy: 0.8732153036140976
Energy: 0.9525647650542498
Energy: 0.9467003697592956
Energy: 0.873899682573713
Energy: 0.9062236610634471
Energy: 0.8794609202785508
Energy: 0.9515031915444204
Energy: 0.9462926893997795
Energy: 0.9587205588199229
Energy: 0.864787810951108
Energy: 0.9710664343118196
Energy: 0.8282470497366381
Energy: 0.8669083596087098
Energy: 0.9608741577993121
Energy: 0.9271657987273714
Energy: 0.9690651134029176
Energy: 0.8285906930260695
Energy: 0.8647253066571254
Energy: 1.0072777456426996
Energy: 0.8269650656815812
Energy: 0.8267476087609877
Energy: 0.9644921028000025
Energy: 1.020757974484348
Energy: 0.9769108882915358
Energy: 0.8265372404465524
Energy: 0.8268666148126992
Energy: 0.9521649039799711
Energy: 1.0205055262284723
Energy: 0.8263787934714516
Energy: 0.8289828338368124
Energy: 0.8263584034550345
Energy: 0.9194544639530761
Energy: 0.8923251538485457
Energy: 0.8262297041331284
Energy: 0.827694358064851
Energy: 0.8257870844982433
Energy: 0.9138778338889803
Energy: 0.8792305019107055
Energy: 0.8266444819969514
Energy: 0.8325855142931563
Energy: 0.8309879976480251
Energy: 0.8315556961499427
Energy: 0.8885491235929848
Energy: 0.8262041895630288
Energy: 0.8263269013411467
Energy: 0.8318990464127032
Energy: 0.8322619053833104
Energy: 0.8890760424687136
Energy: 0.8275874585818789
Energy: 0.8366466673481197
Energy: 0.875794126525138
Energy: 0.92701636970013
Energy: 0.8208487620265522
Energy: 0.8743066331813836
Energy: 0.8369845470271349
Energy: 0.8835629838787115
Energy: 0.9263053570766263
Energy: 0.8152561489997127
Energy: 0.8371453554343573
Energy: 0.8543190198017434
Energy: 0.8569652375535178
Energy: 0.8317214540754155
Energy: 0.831857482926765
Energy: 0.8372040055216173
Energy: 0.8468439436942222
Energy: 0.8210529317825864
Energy: 0.8356148744321065
Energy: 0.8320849267569541
Energy: 0.8684210979649324
Energy: 0.8378894843707244
Energy: 0.8325874879018249
Energy: 0.8321021161132467
Energy: 0.8317960544454374
Energy: 0.8693372573431527
Energy: 0.8475304552567327
Energy: 0.8323651602984327
Energy: 0.832249436768755
Energy: 0.8313333459251652
Energy: 0.9457076050656866
Energy: 0.9171521945172492
Energy: 0.832828155004491
Energy: 0.8174303551241787
Energy: 0.9455392338093024
Energy: 0.9503549117594317
Energy: 0.9074677096659479
Energy: 0.8278302969570681
Energy: 0.8173218167674292
Energy: 0.9453893232578873
Energy: 0.8799409235258213
Energy: 0.8203969979895098
Energy: 0.9195687523903966
Energy: 0.8398310182228321
Energy: 0.9265614617196635
Energy: 0.8816893697999403
Energy: 0.8220842443039296
Energy: 0.9197846760972987
Energy: 0.8409259742654506
Energy: 0.9259890797244179
Energy: 0.8529675470218807
Energy: 0.9169702450945737
Energy: 0.9181182238329132
Energy: 0.8731495391474821
Energy: 0.8603242468641255
Energy: 0.8504944158371506
Energy: 0.9223684684364487
Energy: 0.8353680715078367
Energy: 0.8758371300524287
Energy: 0.8759189834093534
Energy: 0.908997835221273
Energy: 0.8703108709945326
Energy: 0.9464086326180144
Energy: 0.8593827759724267
Energy: 0.9033395886566588
Energy: 0.8495158030645446
Energy: 0.8711746410095268
Energy: 0.946378269735168
Energy: 0.8589988638159883
Energy: 0.9070150792762662
Energy: 0.933411184747131
Energy: 0.9453584412746686
Energy: 0.8837360658669045
Energy: 0.9547114919577152
Energy: 0.8430735437290017
Energy: 0.9296796796017321
Energy: 0.9449152447938655
Energy: 0.8831764762709549
Energy: 0.9440456964292963
Energy: 0.8172789907262931
Energy: 0.9106782316979557
Energy: 0.8893728001848579
Energy: 0.8929876942294898
Energy: 0.9355033694600797
Energy: 0.928128963123596
Energy: 0.8578332547220343
Energy: 0.8908803168602824
Energy: 0.8909791282165032
Energy: 0.9325435835355229
Energy: 0.9785065540962157
Energy: 0.9295422778291831
Energy: 1.00567039650509
Energy: 1.0250329155934146
Energy: 0.9075212425790852
Energy: 0.8255052069017317
Energy: 0.9403767987268355
Energy: 1.0054170176808472
Energy: 1.0239307710496657
Energy: 0.9070952187068863
Energy: 0.8249789516257717
Energy: 0.8295214976658846
Energy: 0.9290948885110497
Energy: 0.8269244645618427
Energy: 0.8352829024326153
Energy: 0.8306738834784502
Energy: 0.8317445145606239
Energy: 0.9701665824850344
Energy: 0.8265471332534844
Energy: 0.8344761124118019
Energy: 0.8300853760729353
Energy: 0.8311586469324544
Energy: 0.9263353534810078
Energy: 0.8897991448789372
Energy: 0.8256269900350394
Energy: 0.8254791891165949
Energy: 0.8662191024782183
Energy: 0.9300654474914182
Energy: 0.8408718021691071
Energy: 0.8254057230512765
Energy: 0.82548032117597
Energy: 0.8763614519318442
Energy: 0.8314460512765635
Energy: 0.8309518114278822
Energy: 0.8367219841895023
Energy: 0.8809746805487662
Energy: 0.8757313709400972
Energy: 0.8290403983928099
Energy: 0.8270503595040197
Energy: 0.8382709471658792
Energy: 0.885734517596426
Energy: 0.8256939047921215
Energy: 0.8258851034291562
Energy: 0.8347413238634023
Energy: 1.0208848309237288
Energy: 0.837019991612786
Energy: 0.8156315785423074
Energy: 0.8294757630383129
Energy: 0.8758205333232452
Energy: 1.0232255485362844
Energy: 0.8379469925945687
Energy: 0.8305624515095784
Energy: 0.831820068006389
Energy: 0.8261463734339917
Energy: 0.8670580443140804
Energy: 0.8352164458269195
Energy: 0.8312996635231761
Energy: 0.8314895327280055
Energy: 0.8362451203010169
Energy: 0.8547352126544427
Energy: 0.8319119256924207
Energy: 0.8275582092553315
Energy: 0.8204823468131821
Energy: 0.9499201088969436
Energy: 0.9457743045579482
Energy: 0.8565442848065495
Energy: 0.8156198023786723
Energy: 0.8359332338930414
Energy: 0.95071816710981
Energy: 0.9139885023920815
Energy: 0.8364606242872251
Energy: 0.8486115186424915
Energy: 0.9152034953384086
Energy: 0.9136303219127647
Energy: 0.833515784406425
Energy: 0.7987423751788743
Energy: 0.8349197532736975
Energy: 0.8941928070290434
Energy: 0.9135368794755917
Energy: 0.8767122214699592
Energy: 0.8038987646507948

minimum gb energy = 0.7987423751788743 eV
minimum distance =  2.47233278328424 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.1539131444920119
Energy: 0.8734986997985945
Energy: 0.8678793640452993
Energy: 0.8489912906137763
Energy: 0.8525746540689499
Energy: 0.8058588436100518
Energy: 0.8737638960205715
Energy: 0.8615372125568936
Energy: 0.8492633558896947
Energy: 0.8323623047228513
Energy: 0.8598666658386948
Energy: 0.8693898968735223
Energy: 0.817397215957583
Energy: 0.9283595007792299
Energy: 0.8082094452734393
Energy: 0.8611986504342085
Energy: 0.8157188433476734
Energy: 0.8173197254873634
Energy: 0.8636490884897859
Energy: 0.8028250951537157
Energy: 0.8641101971892617
Energy: 0.8629845772474954
Energy: 0.8664243561037631
Energy: 0.8051588637595598
Energy: 0.7924229540047071
Energy: 0.8630571551925963
Energy: 0.8638302141948839
Energy: 0.8665214131927411
Energy: 0.8033273101602033
Energy: 0.863560428547339
Energy: 0.8030408940886755
Energy: 0.8053193283623219
Energy: 0.8587388622270572
Energy: 0.8099242592679525
Energy: 0.8638148762197495
Energy: 0.8041987976243218
Energy: 0.804205090900264
Energy: 0.8626335933005407
Energy: 0.8534335201402091
Energy: 0.8652465354544477
Energy: 0.8092075361999187
Energy: 0.8109239750312494
Energy: 0.8091355448827137
Energy: 0.8047146997573971
Energy: 0.811625401075687
Energy: 0.8088342639447732
Energy: 0.868395641260202
Energy: 0.8078595579736078
Energy: 0.8043705481357691
Energy: 0.8001662602224013
Energy: 0.8159840074114162
Energy: 0.8024104093608563
Energy: 0.8558351167383111
Energy: 0.810187190237304
Energy: 0.7978483166168386
Energy: 0.8165411650445495
Energy: 0.8019521024485532
Energy: 0.8556833243562254
Energy: 0.8465383943148674
Energy: 0.7982717061237038
Energy: 0.8641221569051476
Energy: 0.8531420999911618
Energy: 0.8571612078222289
Energy: 0.8030432461806057
Energy: 0.8684983086475385
Energy: 0.8674129421578985
Energy: 0.8544236980968765
Energy: 0.8543711137696751
Energy: 0.8048296936069085
Energy: 0.869114173767807
Energy: 0.8603397381577056
Energy: 0.8578947518186872
Energy: 0.8020565304640908
Energy: 0.8052575121003616
Energy: 0.864531880026078
Energy: 0.8596041351370105
Energy: 0.8583287662194735
Energy: 0.8023679475478337
Energy: 0.812993928475061
Energy: 0.8682807056790718
Energy: 0.8026156417497655
Energy: 0.8114709660494136
Energy: 0.8095322561201512
Energy: 0.8680467818323905
Energy: 0.8032215190526918
Energy: 0.8011166227437333
Energy: 0.8116293032537556
Energy: 0.8099375644524244
Energy: 0.8678467539790952
Energy: 0.8025133293855796
Energy: 0.7907068200711018
Energy: 0.8095242246798422
Energy: 0.7891820857022235
Energy: 0.7850888260107822
Energy: 0.820221861022524
Energy: 0.8081899114750041
Energy: 0.8078930683469667
Energy: 0.7892153509649165
Energy: 0.7848875256569766
Energy: 0.8193941859225815
Energy: 0.7887314343755254
Energy: 0.7854270379794254
Energy: 0.7892647693923677
Energy: 0.7980826091951481
Energy: 0.7842984490035713
Energy: 0.7886824309932177
Energy: 0.785429298945063
Energy: 0.8134140031104353
Energy: 0.7982014505424359
Energy: 0.8057148954250412
Energy: 0.7908649328309134
Energy: 0.7902733793122937
Energy: 0.789995255833704
Energy: 0.8424061619391809
Energy: 0.7903790205075542
Energy: 0.787028238913558
Energy: 0.7911358014018596
Energy: 0.7901769902648942
Energy: 0.8424526162297769
Energy: 0.7890224589219305
Energy: 0.7880401661991759
Energy: 0.7883134324815209
Energy: 0.8121358790439658
Energy: 0.8604477850935079
Energy: 0.7913004390618862
Energy: 0.7873876878924324
Energy: 0.7887809627131556
Energy: 0.8107352296249121
Energy: 0.8598373282563089
Energy: 0.7902319834216889
Energy: 0.8202664227096392
Energy: 0.7913967404763183
Energy: 0.8738854512566716
Energy: 0.7908216233964339
Energy: 0.7894330880903592
Energy: 0.8227252574974704
Energy: 0.7923715411532996
Energy: 0.8754634281216037
Energy: 0.7902370783244966
Energy: 0.8139960440892222

minimum gb energy = 0.7842984490035713 eV
minimum distance =  2.54202499799132 Angstroms
sigma value = 33