Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pt__MO_601539325066_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9200811892747867
cohesive_energy=5.770450689405303
mass=195.084
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.64410559651178e-19, 2.75447809093914e-19, 3.64926169749546e-19, 4.42594886435964e-19, 5.132572847019e-19, 5.76338183135748e-19, 6.30349159644522e-19, 6.75786888984762e-19, 7.14102943186872e-19, 7.46684807215896e-19, 7.74617154653052e-19, 7.98734719524654e-19, 8.19686383367472e-19, 8.380056710006279e-19, 8.5412837446857e-19, 8.68386144334536e-19, 8.81008091857188e-19, 8.92112778107442e-19, 9.01719429204906e-19, 9.097623559075859e-19, 9.161438254408078e-19, 9.20756491970094e-19, 9.23531461900182e-19, 9.24455917818e-19, 9.23456159598384e-19, 9.202373867406779e-19, 9.14477561741448e-19, 9.05867464510332e-19, 8.933400454090859e-19, 8.758042221499558e-19, 8.524605085925759e-19, 8.223347813434739e-19, 7.842013752776399e-19, 7.364789420573159e-19, 6.770926629414719e-19, 6.03285191942994e-19, 5.113955554531919e-19, 3.9663004098313793e-19, 2.52752977073304e-19, 7.1582848742169e-20, -1.580398247014038e-19, -4.5201408286725e-19, -8.33550017781474e-19, -1.3356641639939039e-18, -2.0023522918741798e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018925060483351852
Energy: 0.020443310366755247
Energy: 0.02017460116005028
Energy: 0.0196905597242756
Energy: 0.3431151453905049
Energy: 0.020042017751451445
Energy: 0.02044331036622186
Energy: 0.1105407685857309
Energy: 0.110461766397513
Energy: 0.11069832281373639
Energy: 0.11038132035082555
Energy: 0.11056065206822112
Energy: 0.0201746011636951
Energy: 0.11046176639567577
Energy: 0.11035010210150564
Energy: 0.0202299779458964
Energy: 0.11054413107653463
Energy: 0.11138917237581993
Energy: 0.019690559723742215
Energy: 0.11069832281216585
Energy: 0.020229977946400156
Energy: 0.019825171714506415
Energy: 0.1104447569724973
Energy: 0.020090292458351
Energy: 0.3431151453876305
Energy: 0.11038132035132932
Energy: 0.11054413107703841
Energy: 0.11044475697353444
Energy: 0.11038639396305579
Energy: 0.11067719056224472
Energy: 0.020042017751955202
Energy: 0.11056065206771738
Energy: 0.11138917237605697
Energy: 0.020090292457847242
Energy: 0.11067719056354855
Energy: 0.020421250755589287

minimum gb energy = 0.018925060483351852 eV
minimum distance =  2.76540509132929 Angstroms
sigma value = 1


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

Energy: 1.1656426921107108
Energy: 0.7884158605547779
Energy: 0.8305987268180173
Energy: 0.7554229165959376
Energy: 0.8075858919040084
Energy: 0.8241273181664446
Energy: 1.0809328171625925
Energy: 0.766776296784716
Energy: 0.713348476266865
Energy: 0.7692091542066397
Energy: 0.7973077601536138
Energy: 0.754814497512019
Energy: 1.0568002515765398
Energy: 0.7411847114737827
Energy: 0.7335711904350332
Energy: 0.7546781004240773
Energy: 0.7869748219967441
Energy: 0.7478046418910268
Energy: 1.1301810583218417
Energy: 0.7483293289515003
Energy: 0.7521463655293248
Energy: 0.7596234521395343
Energy: 0.7703186298841915
Energy: 0.7327625672208445
Energy: 1.043008813103308
Energy: 0.7910962045301165
Energy: 0.763310445656248
Energy: 0.7689734497054903
Energy: 0.7929173259979616
Energy: 0.7542206848488606
Energy: 1.0252971160129123
Energy: 0.7758313207983165
Energy: 0.7753001631999474
Energy: 0.7434274483684099
Energy: 0.7787762645711334
Energy: 0.7592967937723587
Energy: 1.026771889040399
Energy: 0.7753491745277222
Energy: 0.7604942062042483
Energy: 0.743740372468982
Energy: 0.7747066993045847
Energy: 0.7600975937958446
Energy: 0.8659303203404289
Energy: 0.7479147980846051
Energy: 0.7709393964652612
Energy: 0.7742868902228585
Energy: 0.7469645647329779
Energy: 0.7702174475096761
Energy: 0.8707592282548625
Energy: 0.743620789049534
Energy: 0.7437457821675693
Energy: 0.7796316463485098
Energy: 0.7442988089570096
Energy: 0.7692771388798464
Energy: 0.8646949780559208
Energy: 0.7678290581185553
Energy: 0.7829572505292277
Energy: 0.7596902981915393
Energy: 0.7695638252426024
Energy: 0.7661528049616
Energy: 0.9234984648686628
Energy: 0.7254976655027388
Energy: 0.7260350782208674
Energy: 0.7861117378020922
Energy: 0.7500313340993736
Energy: 0.7568909330916855
Energy: 0.8383717838822289
Energy: 0.7426117659023292
Energy: 0.7478187676300596
Energy: 0.7689085424357918
Energy: 0.7473333785484375
Energy: 0.7461519844669872
Energy: 0.832266094030969
Energy: 0.7578960073793338
Energy: 0.7588702614016477
Energy: 0.7948112590776646
Energy: 0.7547195152888596
Energy: 0.7727397110450256
Energy: 0.9041401842651148
Energy: 0.7334254758608285
Energy: 0.7355685091631564
Energy: 0.7554134643781537
Energy: 0.7605134000350293
Energy: 0.7365614005622759
Energy: 0.8431634292230151
Energy: 0.766806004333931
Energy: 0.7673675278398426
Energy: 0.786042974597135
Energy: 0.7685214218852351
Energy: 0.7406822285446939
Energy: 0.8454565287621761
Energy: 0.7311252020792951
Energy: 0.7406968928613398
Energy: 0.778593334844323
Energy: 0.7318600524311569
Energy: 0.7566569761005684
Energy: 0.9450562673427519
Energy: 0.7467142100674998
Energy: 0.7437744978311105
Energy: 0.7354014782506596
Energy: 0.7424611530590471
Energy: 0.7590020986974743
Energy: 0.9394512255285196
Energy: 0.7558260845799809
Energy: 0.7560607109895093
Energy: 0.7464998367465481
Energy: 0.7587775830529125
Energy: 0.7672928018463415
Energy: 0.9434130977095874
Energy: 0.7725240285798168
Energy: 0.7681159826989306
Energy: 0.7468345485460259
Energy: 0.7462064829801135
Energy: 0.7675133116197992
Energy: 1.0206381180524526
Energy: 0.7723111744406485
Energy: 0.768801586669474
Energy: 0.7569350860584371
Energy: 0.7453682997906454
Energy: 0.7673403770251587
Energy: 1.077650131559509
Energy: 0.7348248356700152
Energy: 0.7256105848212484
Energy: 0.7711515304836546
Energy: 0.7354052149051201
Energy: 0.7253395465293778
Energy: 1.0836621604937389
Energy: 0.7606771046202137
Energy: 0.755990874753958
Energy: 0.7362990325205196
Energy: 0.7774330941311319
Energy: 0.7468822137719069
Energy: 1.0815262000701413
Energy: 0.8083363498597239
Energy: 0.7494486494281744
Energy: 0.7943730972457049
Energy: 0.8040301760969355
Energy: 0.7692239381756655

minimum gb energy = 0.713348476266865 eV
minimum distance =  2.54803844107257 Angstroms
sigma value = 33


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

Energy: 1.4320249900101767
Energy: 0.8532651482545722
Energy: 0.7969582778154202
Energy: 0.8049245616744631
Energy: 0.7777563801054668
Energy: 0.8484758020025719
Energy: 0.9421922979171142
Energy: 0.7780994175441708
Energy: 0.7429984275041892
Energy: 0.8148229198530526
Energy: 0.7814867169751922
Energy: 0.7483884907561882
Energy: 1.0254067818322619
Energy: 0.7789856068275819
Energy: 0.8156417842655945
Energy: 0.8269151737339373
Energy: 0.8166260326383534
Energy: 0.7940341767450292
Energy: 1.09688689027473
Energy: 0.8774040894219551
Energy: 0.7715469592289095
Energy: 0.8203925975073967
Energy: 0.7672182364771536
Energy: 0.7969561457983322
Energy: 1.050740977145091
Energy: 0.8120339419395509
Energy: 0.7594484038467306
Energy: 0.7460563532449593
Energy: 0.8114617067755377
Energy: 0.7601533316264955
Energy: 1.1154265284099305
Energy: 0.7995046995670461
Energy: 0.7785498276319456
Energy: 0.7562254647878568
Energy: 0.7774416505399202
Energy: 0.7963848560607262
Energy: 1.1135652545776957
Energy: 0.8697546438075423
Energy: 0.8726052646704766
Energy: 0.8739288058713003
Energy: 0.837639503722803
Energy: 0.8698457833771116
Energy: 1.0508515026739207
Energy: 0.8404583318270211
Energy: 0.8471909333429752
Energy: 0.7442092733681993
Energy: 0.840344832714547
Energy: 0.7735815386553841
Energy: 0.9756043342238055
Energy: 0.8089996368959924
Energy: 0.9010423530563711
Energy: 0.8965088751588731
Energy: 0.8103108579236181
Energy: 0.903304699114951
Energy: 0.9727183799677199
Energy: 0.8962629659012626
Energy: 0.8853309799309211
Energy: 0.86012887249254
Energy: 0.8627798444994661
Energy: 0.8868010477221183
Energy: 0.9998303406677885
Energy: 0.7290968096484648
Energy: 0.7291120182486704
Energy: 0.8041765701839131
Energy: 0.7290005952877602
Energy: 0.7297932784793455
Energy: 0.946516679479048
Energy: 0.6874960950420173
Energy: 0.834439756566349
Energy: 0.8801199287620237
Energy: 0.6874316976333431
Energy: 0.8543491880169076
Energy: 0.9394483082892968
Energy: 0.8605834332315132
Energy: 0.8687604949543081
Energy: 0.914848344595803
Energy: 0.863886275189777
Energy: 0.8334777417346649
Energy: 0.9532796917574553
Energy: 0.7961325425601207
Energy: 0.7961052676789224
Energy: 0.9543645121369003
Energy: 0.7992643087725556
Energy: 0.7968155460641875
Energy: 0.9642806162235942
Energy: 0.8554546113971166
Energy: 0.8994300716356262
Energy: 0.9408077668709558
Energy: 0.8518364940828943
Energy: 0.8759271402272556
Energy: 0.9604242495490711
Energy: 0.7607997384580755
Energy: 0.7833548409235858
Energy: 0.9002546143618093
Energy: 0.7667894221697432
Energy: 0.898708767471227
Energy: 1.0015108933090369
Energy: 0.7634463502717473
Energy: 0.7786678210298561
Energy: 0.7953010057645415
Energy: 0.8036210776877096
Energy: 0.7625338257103635
Energy: 0.9849150478022451
Energy: 0.7153689465940785
Energy: 0.7151332425243434
Energy: 0.8409020909046295
Energy: 0.7158378729435528
Energy: 0.8442143289886277
Energy: 0.9887481736410602
Energy: 0.7913299202624932
Energy: 0.7677312156799401
Energy: 0.8448543906868445
Energy: 0.7777719997386022
Energy: 0.7915322589288817
Energy: 0.9904047356780599
Energy: 0.7664091218453746
Energy: 0.7677638463067944
Energy: 0.733638607614246
Energy: 0.8269132515835549
Energy: 0.7682964167142998
Energy: 1.127971806265068
Energy: 0.7790383024842013
Energy: 0.8003569158604406
Energy: 0.8031138060082158
Energy: 0.7783699782620216
Energy: 0.728692201247337
Energy: 0.8877535720461984
Energy: 0.7767994963731344
Energy: 0.7586015277909559
Energy: 0.8065356512628604
Energy: 0.7792583896830463
Energy: 0.7715293391353469
Energy: 1.0025621331595678
Energy: 0.8111317499738913
Energy: 0.7557772380198708
Energy: 0.7436770909604178
Energy: 0.7974574370525889
Energy: 0.749303610191788
Energy: 1.1769346348758525
Energy: 0.7810058891518984
Energy: 0.745213927843083
Energy: 0.7957753326078327
Energy: 0.7487397307827718
Energy: 0.8208747635135719
Energy: 1.002874750102366
Energy: 0.817864200755411
Energy: 0.7574842511883848
Energy: 0.7453306883909039
Energy: 0.8126721410317427
Energy: 0.7549826041990788
Energy: 1.1316481491032664
Energy: 0.7778694568380033
Energy: 0.7980752091796909
Energy: 0.849294566928475
Energy: 0.7971754787885691
Energy: 0.7789269154338736
Energy: 1.1145277476216462
Energy: 0.8709636612790347
Energy: 0.8688908338368804
Energy: 0.8694187268184903
Energy: 0.8689980108692473
Energy: 0.8738354999398814
Energy: 0.9650809507429294
Energy: 0.8409316208100671
Energy: 0.8430975493950815
Energy: 0.8555582782785353
Energy: 0.8411057038130935
Energy: 0.8252179848794056
Energy: 0.9892101921989791
Energy: 0.8413571794854616
Energy: 0.8438742470511722
Energy: 0.9076730243917001
Energy: 0.8410450474994795
Energy: 0.8881317576941596
Energy: 0.9825718724123372
Energy: 0.8633603908905992
Energy: 0.8989619133906341
Energy: 0.8927043846975369
Energy: 0.8633930186303941
Energy: 0.8933123587493312
Energy: 0.9263240644312508
Energy: 0.7288973124460016
Energy: 0.7287880077198332
Energy: 0.8686248024189754
Energy: 0.729310833507113
Energy: 0.7284941509252861
Energy: 0.946153941444645
Energy: 0.688551550494087
Energy: 0.709487590911625
Energy: 0.8681714347152802
Energy: 0.6895970270812128
Energy: 0.8547400737255292
Energy: 0.942005885327573
Energy: 0.8679787465312332
Energy: 0.899079841837142
Energy: 0.9088182336015448
Energy: 0.8618818518833369
Energy: 0.8332122314786671
Energy: 0.9448124791190363
Energy: 0.795845857877431
Energy: 0.820825269740772
Energy: 0.8693967967592459
Energy: 0.7989862858322729
Energy: 0.8201349307307974
Energy: 0.959217353526818
Energy: 0.852861091760019
Energy: 0.8749501415536715
Energy: 0.8295044383394837
Energy: 0.8551582255490742
Energy: 0.868781026228447
Energy: 0.9580922457464202
Energy: 0.7630434479227465
Energy: 0.8817939704243877
Energy: 0.901417049030421
Energy: 0.887207104237394
Energy: 0.7661347389931698
Energy: 0.9597096335744099
Energy: 0.7771843479028117
Energy: 0.7631958130113592
Energy: 0.8040876310049356
Energy: 0.80305886889659
Energy: 0.776951233507784
Energy: 0.9894038830120632
Energy: 0.7914295071510484
Energy: 0.7896838343545352
Energy: 0.8120392459322455
Energy: 0.7157494223635108
Energy: 0.7919946521564304
Energy: 0.9842905297832528
Energy: 0.7673115545706576
Energy: 0.7935252664310875
Energy: 0.8409343585076862
Energy: 0.7924454216987141
Energy: 0.8447725614301684
Energy: 1.0512607827903608
Energy: 0.8023486403945956
Energy: 0.790108038465047
Energy: 0.767246067351265
Energy: 0.7659467369723466
Energy: 0.7487245894743023
Energy: 1.1582484859172377
Energy: 0.7799334986794062
Energy: 0.7284924077156957
Energy: 0.7307406896801127
Energy: 0.7823214400420561
Energy: 0.8015474661578798

minimum gb energy = 0.6874316976333431 eV
minimum distance =  2.48572894799325 Angstroms
sigma value = 51


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

Energy: 1.225228823512792
Energy: 0.719753371235809
Energy: 0.7179829790777642
Energy: 0.7863836284410732
Energy: 0.7414659954390167
Energy: 0.7863048195138568
Energy: 0.9745543313399477
Energy: 0.7238929820754995
Energy: 0.7539694696246473
Energy: 0.7570966660272633
Energy: 0.7237509081540703
Energy: 0.7666123450002774
Energy: 1.0609754874633313
Energy: 0.7512507725728371
Energy: 0.7521139693907772
Energy: 0.7577332239717073
Energy: 0.7538396898537636
Energy: 0.7239685592684616
Energy: 1.0494114657714908
Energy: 0.7244169557798782
Energy: 0.7535372703358575
Energy: 0.7490603903917061
Energy: 0.7241743843809216
Energy: 0.7555856116887861
Energy: 0.9175169108167802
Energy: 0.783406337918156
Energy: 0.7821404972137659
Energy: 0.7818623569995304
Energy: 0.7830776720599222
Energy: 0.7817215685249326
Energy: 0.9228907326734233
Energy: 0.7827128586262587
Energy: 0.7817676401219308
Energy: 0.780505046060066
Energy: 0.7806002587276462
Energy: 0.7810501760603763
Energy: 0.9213963758103129
Energy: 0.7827463836064762
Energy: 0.7810602323561336
Energy: 0.7814011501238498
Energy: 0.78840259407335
Energy: 0.7810628508515772
Energy: 0.9466186595730289
Energy: 0.7281981117619327
Energy: 0.7349993545509926
Energy: 0.7517341257000086
Energy: 0.7290116325538817
Energy: 0.7340357241777763
Energy: 0.8269087184250202
Energy: 0.7210392241679454
Energy: 0.7281241858395208
Energy: 0.75175182866147
Energy: 0.7211713748085934
Energy: 0.7239204131471284
Energy: 0.8290555177469615
Energy: 0.7639372751678258
Energy: 0.7562573757539175
Energy: 0.7560451888610817
Energy: 0.815490287165505
Energy: 0.7235737421706145
Energy: 0.8281177386607347
Energy: 0.722341285341683
Energy: 0.7502178310827691
Energy: 0.7676428476685913
Energy: 0.7560698842691307
Energy: 0.7222080866337688
Energy: 0.840738931186689
Energy: 0.7832588396847331
Energy: 0.7397726662178202
Energy: 0.7398359757220281
Energy: 0.7764872777010285
Energy: 0.7421806287977153
Energy: 0.8391120891243712
Energy: 0.7522450250795143
Energy: 0.7588319053113137
Energy: 0.758066969367718
Energy: 0.7523730075052806
Energy: 0.7584912037130275
Energy: 0.8401539983590214
Energy: 0.7591240760740311
Energy: 0.7585628162710778
Energy: 0.7751810758127176
Energy: 0.7587331278063437
Energy: 0.7258128403265157
Energy: 0.9781197093660318
Energy: 0.752119356197432
Energy: 0.752217810085135
Energy: 0.7715862579014929
Energy: 0.7534122506918153
Energy: 0.7523410982868964
Energy: 0.973011425866182
Energy: 0.7580648476796598
Energy: 0.7582428411398793
Energy: 0.7722473187735576
Energy: 0.7583573602305633
Energy: 0.7721094888954265
Energy: 0.9871648034433693
Energy: 0.7602949843733455
Energy: 0.7513091661504143
Energy: 0.7794916362560669
Energy: 0.759815902476783
Energy: 0.7512072671041281
Energy: 1.1248623249197849
Energy: 0.7690604871064345
Energy: 0.7613339690309416
Energy: 0.7194162328139386
Energy: 0.7237041173105043
Energy: 0.7612835529591936

minimum gb energy = 0.7179829790777642 eV
minimum distance =  2.56480781429594 Angstroms
sigma value = 19


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

Energy: 1.010629336646829
Energy: 0.678810795637338
Energy: 0.6788812540730018
Energy: 0.6789908317349845
Energy: 0.6845484174455718
Energy: 0.6791150197403952
Energy: 0.9810973887546917
Energy: 0.6824687406949207
Energy: 0.6801436172910101
Energy: 0.6834852803659625
Energy: 0.6587816977311235
Energy: 0.657882817380917
Energy: 1.0219009106099042
Energy: 0.6866514491743387
Energy: 0.6862439573220137
Energy: 0.6580720428652433
Energy: 0.6883437183975494
Energy: 0.6865370179423173
Energy: 0.8509586041486361
Energy: 0.6881647202190361
Energy: 0.6868470361695628
Energy: 0.6755190002523155
Energy: 0.6883439526404707
Energy: 0.6568852955826956
Energy: 1.0227378865225587
Energy: 0.7100594793102215
Energy: 0.6833643949171706
Energy: 0.6868358321951149
Energy: 0.7133091539755543
Energy: 0.6828723662568236
Energy: 0.8578873717151533
Energy: 0.6294623605136338
Energy: 0.682629382777169
Energy: 0.6852898647471307
Energy: 0.6294462113327578
Energy: 0.6825493183516677
Energy: 0.8590527689862432
Energy: 0.6841761236298503
Energy: 0.6826272867178971
Energy: 0.6849327062735966
Energy: 0.6401604771199043
Energy: 0.7138345979508149
Energy: 0.8477546084445805
Energy: 0.6300588044138592
Energy: 0.6302676744487711
Energy: 0.7999485024319272
Energy: 0.6302791118364487
Energy: 0.630046402887094
Energy: 0.7375686243052169
Energy: 0.6299477470453951
Energy: 0.6297248011668004
Energy: 0.6836828029927576
Energy: 0.6298686772081963
Energy: 0.6296577119511861
Energy: 0.7379268268101643
Energy: 0.6573678260153379
Energy: 0.6569606772927084
Energy: 0.6574817901847122
Energy: 0.683901164248664
Energy: 0.6814612109426096
Energy: 0.736457847510706
Energy: 0.6758676738742666
Energy: 0.6761101811104673
Energy: 0.6600224633449125
Energy: 0.6764564999784586
Energy: 0.6794863028182099
Energy: 0.8577239363337171
Energy: 0.6829388740657847
Energy: 0.6828043798770631
Energy: 0.6585477931617029
Energy: 0.6856990569176185
Energy: 0.6849566396360547
Energy: 0.709695350959636
Energy: 0.682989229306898
Energy: 0.6824900502242193
Energy: 0.6297309835679309
Energy: 0.6855423372797509
Energy: 0.6832408696168254
Energy: 0.8577126232292357
Energy: 0.6858394050829243
Energy: 0.7113191880812496
Energy: 0.6575107113169212
Energy: 0.6835161931562774
Energy: 0.682616922784979
Energy: 0.9813962367051658
Energy: 0.6838433964650082
Energy: 0.6836694291338259
Energy: 0.6301252882732667
Energy: 0.6823094555328333
Energy: 0.6295221268356399
Energy: 0.9809482734667996
Energy: 0.6862282171046179
Energy: 0.6299920493372885
Energy: 0.6305952722059424
Energy: 0.6885612818713569
Energy: 0.6303784398392603
Energy: 1.0224686222608574
Energy: 0.6574562915125087
Energy: 0.6573924115431418
Energy: 0.6842151655351756
Energy: 0.6590939408495415
Energy: 0.6570626982551343
Energy: 0.8512782549072262
Energy: 0.6868400983434878
Energy: 0.6835437033102205
Energy: 0.6757122213495437
Energy: 0.6860903447253144
Energy: 0.6568067871703432
Energy: 0.8520076909488803
Energy: 0.6829949101300574
Energy: 0.6834945958797192
Energy: 0.6759932271643665
Energy: 0.6829941325273109
Energy: 0.6569669000676446
Energy: 0.8573940132209311
Energy: 0.6292587417762758
Energy: 0.6829649264087818
Energy: 0.6836485645595854
Energy: 0.6295485775863385
Energy: 0.681844317946734
Energy: 0.8597132312803316
Energy: 0.6829291797041247
Energy: 0.6839199805128238
Energy: 0.6838892425790228
Energy: 0.7074221738903008
Energy: 0.6830999954794488
Energy: 0.8577498988602541
Energy: 0.6834889876753745
Energy: 0.6826059706459152
Energy: 0.6858876525829309
Energy: 0.6409871176997739
Energy: 0.7117026422064945
Energy: 0.8498422644221698
Energy: 0.629645874591182
Energy: 0.679353584963794
Energy: 0.7723466727815574
Energy: 0.6294117772974067
Energy: 0.6787978830372732
Energy: 0.7369336755570564
Energy: 0.6582886085870078
Energy: 0.657589432766974
Energy: 0.6585968448310556
Energy: 0.6303412519324981
Energy: 0.6781228325271916
Energy: 0.7374646185805775
Energy: 0.6580633985364597
Energy: 0.6572430585832468
Energy: 0.6861826609886054
Energy: 0.6582503551957898
Energy: 0.6864686712336646
Energy: 0.8504280092166269
Energy: 0.6758542717998912
Energy: 0.6782446638271381
Energy: 0.8014104770793267
Energy: 0.6763316647592535
Energy: 0.6847031177096387
Energy: 0.8574538341272983
Energy: 0.683584320454536
Energy: 0.684081790889562
Energy: 0.7124877909979647
Energy: 0.686151449781515
Energy: 0.6825679752635413
Energy: 0.7102971458434001
Energy: 0.6850817029442018
Energy: 0.6828469945624659
Energy: 0.6310014090337687
Energy: 0.6850380548849029
Energy: 0.6819497232422241
Energy: 0.8573136763718244
Energy: 0.7152829038780091
Energy: 0.7144793380122332
Energy: 0.6414935355073972
Energy: 0.6856512490283542
Energy: 0.7089003331909698
Energy: 0.9843113862336285
Energy: 0.6875823744336396
Energy: 0.6297402907166121
Energy: 0.6308128086681938
Energy: 0.6878240610261029
Energy: 0.629996060591879

minimum gb energy = 0.6292587417762758 eV
minimum distance =  2.61848792581748 Angstroms
sigma value = 27


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

Energy: 0.8671358223465503
Energy: 0.7923280086922238
Energy: 0.7820979217265217
Energy: 0.67547980766371
Energy: 1.3449577262657264
Energy: 0.8450583129827958
Energy: 0.7016591763766696
Energy: 0.7266136471748023
Energy: 0.671996175875876
Energy: 0.6737959669455205
Energy: 0.7246222557532651
Energy: 0.6727070973026185
Energy: 0.7893578257196612
Energy: 0.7183960138749056
Energy: 0.6720625502079868
Energy: 0.671745028889885
Energy: 0.7200296130091455
Energy: 0.6726955845005695
Energy: 0.7002356912415687
Energy: 0.7179655432378482
Energy: 0.6724518492997438
Energy: 0.6718311729843979
Energy: 0.7183361260507626
Energy: 0.6711654663279891
Energy: 0.869023253405819
Energy: 0.6406651516365669
Energy: 0.673862049167758
Energy: 0.7179325050602741
Energy: 0.6412018914719007
Energy: 0.6730997637429484
Energy: 0.7481118803927166
Energy: 0.6410632324749933
Energy: 0.6407849028417957
Energy: 0.7192448317072196
Energy: 0.6421102394671937
Energy: 0.6407562253465378
Energy: 0.7535645076784854
Energy: 0.6747235496030326
Energy: 0.6726221147470834
Energy: 0.72610986581572
Energy: 0.6718163427901382
Energy: 0.672728238997494
Energy: 0.7526419710532981
Energy: 0.6683398041563441
Energy: 0.667868793069597
Energy: 0.7245712112644144
Energy: 0.7073807030766543
Energy: 0.668789617497461
Energy: 0.7942541078332542
Energy: 0.6729470629892196
Energy: 0.6673176260399953
Energy: 0.7242702942374118
Energy: 0.6686758758433272
Energy: 0.6715972893300328
Energy: 0.7946120700189397
Energy: 0.6786279545442652
Energy: 0.6771044307519097
Energy: 0.6789001970286638
Energy: 0.6807826207725736
Energy: 0.6767600048484722
Energy: 0.795700687062876
Energy: 0.6790771450541636
Energy: 0.6784853778083649
Energy: 0.6775301920668303
Energy: 0.7033429075825864
Energy: 0.6795525182928209
Energy: 0.8667904276987655
Energy: 0.6711891273565209
Energy: 0.6716306370432411
Energy: 0.6728081730854057
Energy: 0.6712903794479002
Energy: 0.6720544684638503

minimum gb energy = 0.6406651516365669 eV
minimum distance =  2.55541445595726 Angstroms
sigma value = 9


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

Energy: 1.523093948449817
Energy: 0.6575087037129841
Energy: 0.6364110614332145
Energy: 0.6155224896157316
Energy: 0.6271619929602504
Energy: 0.7006845482017169
Energy: 0.7154186723204814
Energy: 0.6452098315783154
Energy: 0.6084100264870322
Energy: 0.6328155155454495
Energy: 0.6449698778952969
Energy: 0.6377617466149987
Energy: 0.6818738230839382
Energy: 0.6489757361107786
Energy: 0.6381384361669181
Energy: 0.6594507546367481
Energy: 0.6453571485896505
Energy: 0.6397391710791713
Energy: 0.6841895796934119
Energy: 0.6073661576744599
Energy: 0.6074523719003523
Energy: 0.65869101589364
Energy: 0.6499972507659232
Energy: 0.6068979314820737
Energy: 0.7338029678706153
Energy: 0.6422971982043251
Energy: 0.6094951276090205
Energy: 0.6703094399644416
Energy: 0.6420802800071331
Energy: 0.6087754138341392
Energy: 0.6696188090251647
Energy: 0.6591155558859445
Energy: 0.6099585959612043
Energy: 0.6698278717111553
Energy: 0.6585047800131392
Energy: 0.6386870720943947
Energy: 0.6693601769464811
Energy: 0.6075971890274088
Energy: 0.6085978175395321
Energy: 0.6710422203426981
Energy: 0.6120619782229906
Energy: 0.6123903281138239
Energy: 0.67099239333718
Energy: 0.6670760774041419
Energy: 0.6106109954492872
Energy: 0.6705727405830904
Energy: 0.6665910228096766
Energy: 0.6088010754972771
Energy: 0.6496257374773163
Energy: 0.6468982936468465
Energy: 0.6099453313975624
Energy: 0.6535236973484692
Energy: 0.6589906635430126
Energy: 0.638661594228614
Energy: 0.636410992824677
Energy: 0.6395999323051004
Energy: 0.6420166566822609
Energy: 0.6533321436257388
Energy: 0.6604932915466601
Energy: 0.6429318572532131
Energy: 0.6363564694562079
Energy: 0.6711773071246285
Energy: 0.651155581437917
Energy: 0.6486298880094739
Energy: 0.6699220819273011
Energy: 0.6109167615897912
Energy: 0.6486354344490495
Energy: 0.669949758775557
Energy: 0.6420195745719095
Energy: 0.6315541805950561
Energy: 0.6712277063137064
Energy: 0.6087316026965449
Energy: 0.9114683036302287
Energy: 0.6550304812800072
Energy: 0.694972744322861
Energy: 0.6181763152966019
Energy: 0.6566030796921689
Energy: 0.6812103260843858
Energy: 0.7410185983998879
Energy: 0.6759957703689375
Energy: 0.6423759015335033
Energy: 0.630913571391614
Energy: 0.6703746968756271
Energy: 0.6093181110319271
Energy: 0.6634657589993096
Energy: 0.6528473723887458
Energy: 0.6553252792954362
Energy: 0.6494045813641443
Energy: 0.6562549907520484
Energy: 0.6828405658274334
Energy: 0.6605180947687629
Energy: 0.6323953109978128
Energy: 0.6305585804376113
Energy: 0.6455977778459002
Energy: 0.6626264967706255
Energy: 0.6408247989757668
Energy: 0.6601785757432485
Energy: 0.6076155618201873
Energy: 0.6071064969626995
Energy: 0.6460109914687096
Energy: 0.6253463112576142
Energy: 0.634059792352468
Energy: 0.7192435469677583
Energy: 0.6329837046904405
Energy: 0.6076006242850392
Energy: 0.6439895581916585
Energy: 0.6437334102546939
Energy: 0.6500216875396474
Energy: 0.6813172686653503
Energy: 0.635987439681391
Energy: 0.6268798819598449
Energy: 0.648318788307165
Energy: 0.6352210233378776
Energy: 0.6325464167686048
Energy: 0.6830787445861821
Energy: 0.6396936684865784
Energy: 0.6351763294265778
Energy: 0.6330878716367693
Energy: 0.6342936631905479
Energy: 0.6302735702355236
Energy: 0.6813439040113458
Energy: 0.6390810240149897
Energy: 0.6332036977825639
Energy: 0.6643710335012104
Energy: 0.6345367168025093
Energy: 0.635780589299967
Energy: 0.6990975979507162
Energy: 0.6453215958229109
Energy: 0.6204136921116485
Energy: 0.6418884368120491
Energy: 0.6446623738474336
Energy: 0.6366126366567565
Energy: 0.6921297380901283
Energy: 0.6454209860655469
Energy: 0.6256658634833421
Energy: 0.6414878740167411
Energy: 0.6458104640964244
Energy: 0.603038215325098
Energy: 0.6810471126604527
Energy: 0.6490301483112706
Energy: 0.6386911720144022
Energy: 0.6669500389636596
Energy: 0.6471885207782916
Energy: 0.6335056423035037
Energy: 0.9119642569499621
Energy: 0.6491767831310952
Energy: 0.6590180795400782
Energy: 0.6698759000639244
Energy: 0.6471059966208815
Energy: 0.6002091713925115
Energy: 0.6808856033017807
Energy: 0.6094607390408769
Energy: 0.6091727749404082
Energy: 0.6641495653927608
Energy: 0.6317877465394403
Energy: 0.6409086625447973
Energy: 0.6488532239924439
Energy: 0.6007933988422332
Energy: 0.6032535356506206
Energy: 0.6498336549123522
Energy: 0.6057763576237524
Energy: 0.6503573651707658
Energy: 0.6709923607566545
Energy: 0.6077958245178027
Energy: 0.6084657656428654
Energy: 0.6693744960874229
Energy: 0.6271602065498233
Energy: 0.6088066417529437
Energy: 0.6721049612559302
Energy: 0.6326944455345385
Energy: 0.6090983270765651
Energy: 0.6720615343624929
Energy: 0.6520900341183213
Energy: 0.6485794269503357
Energy: 0.6491410193834338
Energy: 0.6680191050354578
Energy: 0.6101590127670027
Energy: 0.6716141875083979
Energy: 0.6659623776988938
Energy: 0.6424327305875921
Energy: 0.637234690599961
Energy: 0.6600470828695069
Energy: 0.6403879851753871
Energy: 0.6477719994648566
Energy: 0.6543688243982426
Energy: 0.6095583706305092
Energy: 0.8632418436287793
Energy: 0.6708747911071521
Energy: 0.6358829607599435
Energy: 0.6596135543335678
Energy: 0.6709539377954854
Energy: 0.6086138613849975
Energy: 0.666948583371118
Energy: 0.6782932482003925
Energy: 0.668420047688275
Energy: 0.6367039553757368
Energy: 0.6723068175410697
Energy: 0.6081914020308157
Energy: 0.6686971566503099
Energy: 0.6703493726901014
Energy: 0.6557323271468718
Energy: 0.6439709796799639
Energy: 0.670524234788045
Energy: 0.608855196943747
Energy: 0.664348897721819
Energy: 0.6555773173162093
Energy: 0.6091043910333331
Energy: 0.6497632332502615
Energy: 0.6707836229573557
Energy: 0.6087022654478587
Energy: 0.6668022160137923
Energy: 0.6606717208233915
Energy: 0.6517851038676062
Energy: 0.6914421052907482
Energy: 0.6610560000155954
Energy: 0.6070801470332986
Energy: 0.6623010617002568
Energy: 0.6475004588672216
Energy: 0.6326588304032579
Energy: 0.6455675679770047
Energy: 0.6585129267244875
Energy: 0.6401370602954093
Energy: 0.6604229385201733
Energy: 0.6362221444276318
Energy: 0.6280862880204353
Energy: 0.6458215634921831
Energy: 0.6336014120956914
Energy: 0.6307698169301396
Energy: 0.627502964481428
Energy: 0.6426960379113086
Energy: 0.6168284710161954
Energy: 0.6275631716674388
Energy: 0.6329628594482075
Energy: 0.6395953726427637
Energy: 0.6811178603539385
Energy: 0.6365612311271153
Energy: 0.6280726304255245
Energy: 0.6460166307154794
Energy: 0.6325130649168594
Energy: 0.6289130820443166
Energy: 0.6793001075385586
Energy: 0.6248496945409072
Energy: 0.6282310093462213
Energy: 0.6303297672997616
Energy: 0.6390481616613295
Energy: 0.6405490381378584
Energy: 0.6817429347948017
Energy: 0.6355272722752924
Energy: 0.6257888122914969
Energy: 0.6313694641755523
Energy: 0.6343763806800511
Energy: 0.6319328751197546
Energy: 0.6925026181197396
Energy: 0.6268963739027257
Energy: 0.6301771136946777
Energy: 0.6416830868562505
Energy: 0.6453022573691787
Energy: 0.6029401118619689

minimum gb energy = 0.6002091713925115 eV
minimum distance =  2.556924901987 Angstroms
sigma value = 57


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

Energy: 0.43580965155932366
Energy: 0.4126108800213171
Energy: 0.2864181529143733
Energy: 0.2860135353178995
Energy: 0.577808897008443
Energy: 0.44382783674986787
Energy: 0.4395522964797243
Energy: 0.5488271299411948
Energy: 0.5619664548134866
Energy: 0.5455665312955805
Energy: 0.5562754191443566
Energy: 0.5519558328233583
Energy: 0.5908565410403036
Energy: 0.5417333779541901
Energy: 0.5312118878387396
Energy: 0.5617511712736528
Energy: 0.5579913427628443
Energy: 0.5519718512607258
Energy: 0.5907924511147075
Energy: 0.5368318190398469
Energy: 0.5458453187013194
Energy: 0.5489797625216409
Energy: 0.5681222033013303
Energy: 0.5519330097389374
Energy: 0.5905132123832713
Energy: 0.2875389834952406
Energy: 0.2884985622251741
Energy: 0.5685695780068297
Energy: 0.2844569770433858
Energy: 0.558640932657757
Energy: 0.594788313051733
Energy: 0.2843725413861055
Energy: 0.28693080982134067
Energy: 0.5563846532440248
Energy: 0.2837455110498848
Energy: 0.31451061149629644
Energy: 0.5936792307642179
Energy: 0.5504410343736396
Energy: 0.5443611895344521
Energy: 0.5895851078394325
Energy: 0.5521749015585077
Energy: 0.5507684354137471
Energy: 0.5945881939252096
Energy: 0.570898761009526
Energy: 0.5693554218460946
Energy: 0.5900179892864645
Energy: 0.5699403977402111
Energy: 0.5614947661529165
Energy: 0.6421717454166201
Energy: 0.5775340954851458
Energy: 0.5514432351972725
Energy: 0.5790047220094565
Energy: 0.5799891901263755
Energy: 0.5513121752573157
Energy: 0.2916520275713844
Energy: 0.5709241624939534
Energy: 0.2860551053253294
Energy: 0.28389072024136186
Energy: 0.5859636403383596
Energy: 0.31448984728385654
Energy: 0.28365336947498054
Energy: 0.561981918572832
Energy: 0.5564688654130482
Energy: 0.2837523931099795
Energy: 0.5593446789105596
Energy: 0.28666627039604237
Energy: 0.6429462557527277
Energy: 0.5820535926562076
Energy: 0.5646845044941401
Energy: 0.5505877197803805
Energy: 0.5815717023306544
Energy: 0.5694185364925182
Energy: 0.8070855422482418
Energy: 0.5857139698987303
Energy: 0.5412091607762389
Energy: 0.569430705886036
Energy: 0.5900133609037592
Energy: 0.5744154314044966
Energy: 0.6421636551960814
Energy: 0.554845270007864
Energy: 0.5550454121540582
Energy: 0.558582838055346
Energy: 0.5594765246565203
Energy: 0.5909446562528171
Energy: 0.6434395558400225
Energy: 0.2835322790189579
Energy: 0.28440798288468677
Energy: 0.590202256756839
Energy: 0.29003431500411414
Energy: 0.28485308258516
Energy: 0.5428019383855689
Energy: 0.5390780352264453
Energy: 0.5529554949260364
Energy: 0.5403231400371687
Energy: 0.2845727942374775
Energy: 0.559401627867411
Energy: 0.5424866946134069
Energy: 0.5384905021452031
Energy: 0.5609138603546916
Energy: 0.5412583042928321
Energy: 0.5757605276758994
Energy: 0.5359692981944977
Energy: 0.5907647656526656
Energy: 0.5384536439990758
Energy: 0.5416683065692167
Energy: 0.5426433371144385
Energy: 0.5248068432710457
Energy: 0.5603589091439611
Energy: 0.4362863235444939
Energy: 0.5511665804079741
Energy: 0.5580656115372827
Energy: 0.28397594583686203
Energy: 0.5464839225390915
Energy: 0.56417980474145

minimum gb energy = 0.2835322790189579 eV
minimum distance =  2.52745603739139 Angstroms
sigma value = 11


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

Energy: 0.8808050584109806
Energy: 0.5596569357226946
Energy: 0.569486966388719
Energy: 0.580304583911384
Energy: 0.5755236434071501
Energy: 0.5638760807038409
Energy: 0.571030014771132
Energy: 0.5667462112229965
Energy: 0.5849814236911821
Energy: 0.5529831167718184
Energy: 0.5589887520778546
Energy: 0.5870247795658782
Energy: 0.5519085929583368
Energy: 0.5610790819351005
Energy: 0.566126013176516
Energy: 0.5548275178716731
Energy: 0.5584646270049873
Energy: 0.5542259226302528
Energy: 0.5514777520316324
Energy: 0.5694724681828411
Energy: 0.5753640093940464
Energy: 0.5533328688169334
Energy: 0.5673576307979881
Energy: 0.5670899709253238
Energy: 0.5540900976360735
Energy: 0.5651826594114945
Energy: 0.5625089732244393
Energy: 0.564337264916669
Energy: 0.5715160901748848
Energy: 0.5751363236604242
Energy: 0.6118526597590151
Energy: 0.5771310110209683
Energy: 0.561852130179927
Energy: 0.5693555483183128
Energy: 0.5737965433489136
Energy: 0.5668980608702794
Energy: 0.6075369196470943
Energy: 0.562139636831781
Energy: 0.5609050948903418
Energy: 0.5546157863050193
Energy: 0.5577265355297283
Energy: 0.5578118861728056
Energy: 0.5908987787661043
Energy: 0.6191397425172285
Energy: 0.5556804976129536
Energy: 0.5937343918286205
Energy: 0.6166084688623739
Energy: 0.5628790489229498
Energy: 0.6096606286232215
Energy: 0.557943916652083
Energy: 0.5765013300994148
Energy: 0.5852308429942097
Energy: 0.5648314399441383
Energy: 0.5764344409378562
Energy: 0.7713417240642202
Energy: 0.5667283163677915
Energy: 0.5668828633480416
Energy: 0.5481529772125243
Energy: 0.5692814193720507
Energy: 0.5834914522317287
Energy: 0.6539308384432011
Energy: 0.5649669851644942
Energy: 0.563529415301629
Energy: 0.5658615798383002
Energy: 0.5882462396288117
Energy: 0.5633924900461217
Energy: 0.6047637646748293
Energy: 0.5323378701776392
Energy: 0.5778155560528709
Energy: 0.6591435289257453
Energy: 0.5339659674011782
Energy: 0.5836608955721342
Energy: 0.7001872311884421
Energy: 0.532762731173897
Energy: 0.5859079479464452
Energy: 0.5651777799030632
Energy: 0.5343869971948
Energy: 0.5865908186337512
Energy: 0.6287520295417459
Energy: 0.5647788092656473
Energy: 0.5621131289417114
Energy: 0.5858908381753044
Energy: 0.5690578733214571
Energy: 0.5642320210944374
Energy: 0.6667376803951125
Energy: 0.5673546197154594
Energy: 0.5712709989924002
Energy: 0.7354490475942423
Energy: 0.5652523208156875
Energy: 0.5783920993358871
Energy: 0.8001166707175017
Energy: 0.5654553423919841
Energy: 0.5633879721869639
Energy: 0.5857709291209771
Energy: 0.5706833261560315
Energy: 0.5640862106298202
Energy: 0.8572231586024692
Energy: 0.5646310739654332
Energy: 0.5433067552349841
Energy: 0.5456709542674125
Energy: 0.59189707937162
Energy: 0.5435931313126969
Energy: 0.6680264426672154
Energy: 0.5808235605859505
Energy: 0.5666134097777731
Energy: 0.5773517684813464
Energy: 0.5818657504374211
Energy: 0.5660601418832224
Energy: 0.6569364396735852
Energy: 0.56906259813271
Energy: 0.5716592206653093
Energy: 0.5576546127968267
Energy: 0.5772492799714739
Energy: 0.5646798979648588
Energy: 0.7188245727216692
Energy: 0.564328848604056
Energy: 0.5767411508406906
Energy: 0.5600205497011157
Energy: 0.5751427143190669
Energy: 0.5805732871196401
Energy: 0.8001752029879404
Energy: 0.565373579620836
Energy: 0.5638211794765775
Energy: 0.5632692252391174
Energy: 0.563544555144958
Energy: 0.5645429145128823
Energy: 0.7859861451070977
Energy: 0.5792120765310511
Energy: 0.5686855163047273
Energy: 0.6022870040917472
Energy: 0.5816727904479283
Energy: 0.5802725861548289
Energy: 0.5529520524097518
Energy: 0.5779911990346136
Energy: 0.5774961487076549
Energy: 0.5574967017614652
Energy: 0.5657021543035322
Energy: 0.5765458033705644
Energy: 0.6132633822595193
Energy: 0.5618330024650795
Energy: 0.5544611688368539
Energy: 0.6142475346284231
Energy: 0.5565379227893762
Energy: 0.5662743463148994
Energy: 0.5529440699591627
Energy: 0.5602412189689784
Energy: 0.5852054882518766
Energy: 0.5504440002657616
Energy: 0.5548594165174643
Energy: 0.5758440566936502
Energy: 0.6461198517801907
Energy: 0.5696313112779247
Energy: 0.574562756880247
Energy: 0.5800786514929777
Energy: 0.5912499521764943
Energy: 0.5620062592378114

minimum gb energy = 0.5323378701776392 eV
minimum distance =  2.56102165187283 Angstroms
sigma value = 41


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

Energy: 1.2044652379878114
Energy: 0.6028862004513702
Energy: 0.663587205844341
Energy: 0.5918461520748802
Energy: 0.6610529298206407
Energy: 0.5677312164170222
Energy: 0.6300000918198114
Energy: 0.6172726540934018
Energy: 0.6178287744023585
Energy: 0.6065402653084303
Energy: 0.6187535918120682
Energy: 0.6061815186720311
Energy: 0.6020337204778704
Energy: 0.6045853112581745
Energy: 0.5988103378077013
Energy: 0.6038734147434879
Energy: 0.604943536042137
Energy: 0.5968356124709099
Energy: 0.6007386453366101
Energy: 0.6160360760550285
Energy: 0.6192622471475239
Energy: 0.6040800213369868
Energy: 0.6011267699427709
Energy: 0.6071307399874124
Energy: 0.6024765722466192
Energy: 0.6278373515513714
Energy: 0.6279879336170341
Energy: 0.6439188260300843
Energy: 0.6293416045698744
Energy: 0.6218146610725367
Energy: 0.688625225515395
Energy: 0.6036125176902069
Energy: 0.6037038850297183
Energy: 0.6244188774956207
Energy: 0.603936343958206
Energy: 0.6145409713509116
Energy: 0.6882034518116714
Energy: 0.6050777106882615
Energy: 0.6049066787896463
Energy: 0.6207019365500474
Energy: 0.6113871986043503
Energy: 0.6061961528590576
Energy: 0.6593787101318931
Energy: 0.6158001215287593
Energy: 0.6073428400967218
Energy: 0.6614705215734955
Energy: 0.6147058233063895
Energy: 0.5689017325767646
Energy: 0.6878563305263473
Energy: 0.62395460170235
Energy: 0.6329667465487001
Energy: 0.6425528701984985
Energy: 0.6253645935246033
Energy: 0.6358282559935755
Energy: 0.6883518234555183
Energy: 0.6161129308779874
Energy: 0.6065124961241359
Energy: 0.6027393972156504
Energy: 0.6171659154211462
Energy: 0.6179870797754949
Energy: 0.6874690298602367
Energy: 0.610045978196909
Energy: 0.6187156922825472
Energy: 0.6021864804335114
Energy: 0.6196072434485013
Energy: 0.6175942581366872
Energy: 0.6891460083631266
Energy: 0.6117060598358185
Energy: 0.5880087343907634
Energy: 0.6187624769499593
Energy: 0.5664771278120552
Energy: 0.6189394564163103
Energy: 0.6047324045275407
Energy: 0.6171832234672587
Energy: 0.6196297464863936
Energy: 0.6228832548014768
Energy: 0.5652892214271846
Energy: 0.5685570266865326
Energy: 0.599044099600779
Energy: 0.6345866454316662
Energy: 0.6349746895108588
Energy: 0.5995614532143596
Energy: 0.6168880742955122
Energy: 0.631321327218889
Energy: 0.6160398752709396
Energy: 0.6058121956863566
Energy: 0.6046452220450129
Energy: 0.6158221176712017
Energy: 0.6222308387453992
Energy: 0.6165263488033689
Energy: 0.6008045212331035
Energy: 0.6083951924925053
Energy: 0.6061276842284486
Energy: 0.6106610170664447
Energy: 0.6139217017625667
Energy: 0.6058361463786515
Energy: 1.1509938246696338
Energy: 0.6211956415680667
Energy: 0.5863962170546236
Energy: 0.570546938308838
Energy: 0.6134472823667935
Energy: 0.6266717833722025
Energy: 0.6304728924950942
Energy: 0.6083093995433243
Energy: 0.6419872132170131
Energy: 0.6450344814704658
Energy: 0.6235536292840621
Energy: 0.5881806946307593
Energy: 0.6004219011145309
Energy: 0.6032659192007277
Energy: 0.6049715198707863
Energy: 0.6034588170673912
Energy: 0.6032797176354797
Energy: 0.6055200893213428
Energy: 0.6042637146071548
Energy: 0.5961705713326965
Energy: 0.5990878816756694
Energy: 0.6053174197709342
Energy: 0.6028880643023993
Energy: 0.5978617538285431
Energy: 0.6018920223055644
Energy: 0.6242769953079692
Energy: 0.6250743806046481
Energy: 0.6209251038753046
Energy: 0.6257251826115107
Energy: 0.6059048911976569
Energy: 0.915535465738255
Energy: 0.6241260208182363
Energy: 0.6159132055095143
Energy: 0.9157508100028329
Energy: 0.6223790910423599
Energy: 0.6168547554898388
Energy: 0.6875114722094879
Energy: 0.6225899906184499
Energy: 0.6217898813727928
Energy: 0.6119933571224881
Energy: 0.6245782068765346
Energy: 0.6058173103272139
Energy: 0.6588346164717965
Energy: 0.6034522538370591
Energy: 0.6060626417483859
Energy: 0.597783412505389
Energy: 0.6025399777246827
Energy: 0.5690897385002911
Energy: 0.6882287162296553
Energy: 0.6056808968572456
Energy: 0.6060990551289777
Energy: 0.6165871629915428
Energy: 0.599215369974946
Energy: 0.6074337287341235
Energy: 0.6873472648959206
Energy: 0.6099352214487012
Energy: 0.632099551265803
Energy: 0.603197447294044
Energy: 0.6416644773467097
Energy: 0.6179082886234062
Energy: 0.6881298491024732
Energy: 0.6147501028875886
Energy: 0.6068751572102776
Energy: 0.60390024137342
Energy: 0.6151455259795162
Energy: 0.6076229288535983
Energy: 0.6872774098709912
Energy: 0.5869103092980588
Energy: 0.6334340086539033
Energy: 0.6434230335490421
Energy: 0.6021493288895131
Energy: 0.6343752344582112
Energy: 0.6035414318827063
Energy: 0.5667474688497175
Energy: 0.5680596626410047
Energy: 0.6221453129742642
Energy: 0.5661097223953029
Energy: 0.6185785517955925
Energy: 0.6500647063695518
Energy: 0.6367718283542241
Energy: 0.635407183045378
Energy: 0.62747404218723
Energy: 0.6158139200615208
Energy: 0.6340770151827966
Energy: 0.6076019002627181
Energy: 0.5978794368157773
Energy: 0.5983699138174886
Energy: 0.6081937940863675
Energy: 0.6037909925540726
Energy: 0.6073486044367779
Energy: 0.6003799685171588
Energy: 0.6175058817395707
Energy: 0.6067028773755784
Energy: 0.6141205721256624
Energy: 0.6040793655404025
Energy: 0.6056771323957789
Energy: 0.7387843147822584
Energy: 0.6200561111821791
Energy: 0.5872615668024999
Energy: 0.56743983960354
Energy: 0.6153178355816495
Energy: 0.5871598064181085

minimum gb energy = 0.5652892214271846 eV
minimum distance =  2.57339967206592 Angstroms
sigma value = 33


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

Energy: 0.7445629835242128
Energy: 0.6134679068361798
Energy: 0.6136581889088719
Energy: 0.7462177048263273
Energy: 0.6840054902728648
Energy: 0.6121106812610829
Energy: 0.695145314584231
Energy: 0.6513904031899646
Energy: 0.6522364861776007
Energy: 0.633891710383077
Energy: 0.6649656389655193
Energy: 0.6525599581417463
Energy: 0.6652380885881363
Energy: 0.6344404886741613
Energy: 0.6322428619130919
Energy: 0.6375361617336041
Energy: 0.6360873264776016
Energy: 0.6311606179916366
Energy: 0.6608523626941003
Energy: 0.6464675677632937
Energy: 0.6322534109348849
Energy: 0.6601446771064854
Energy: 0.6354572956817832
Energy: 0.6325708463997916
Energy: 0.7132555054740679
Energy: 0.6439141192426764
Energy: 0.6179453963959891
Energy: 0.6968616148355461
Energy: 0.6483438544180721
Energy: 0.6175081255313281
Energy: 0.7142160319363493
Energy: 0.6302386919388443
Energy: 0.6289148225930822
Energy: 0.6859088169802768
Energy: 0.6339254240076536
Energy: 0.6305007580282947
Energy: 0.7074113427292659
Energy: 0.6482180357326582
Energy: 0.6459402999206476
Energy: 0.6757639118060151
Energy: 0.6495694499658784
Energy: 0.6462035673525834
Energy: 0.7444909214253184
Energy: 0.6411462920092192
Energy: 0.6104890965780899
Energy: 0.6098639436031922
Energy: 0.6336948940142447
Energy: 0.6102735924549402
Energy: 0.7058101294799347
Energy: 0.6377734943984877
Energy: 0.6646175341424668
Energy: 0.6209739708598193
Energy: 0.6198548992978661
Energy: 0.6175407181005066
Energy: 0.7085623905825379
Energy: 0.636107073029174
Energy: 0.6339158629144869
Energy: 0.6372349575220614
Energy: 0.6349406680549915
Energy: 0.6326093113615768
Energy: 0.7079414559897833
Energy: 0.6348647227009543
Energy: 0.6324116701034541
Energy: 0.6607223427015472
Energy: 0.6778700153897201
Energy: 0.6310509212022567
Energy: 0.7118439899714426
Energy: 0.6551630997664497
Energy: 0.612553046592243
Energy: 0.6835718390328641
Energy: 0.6329413348437712
Energy: 0.6123296042373929
Energy: 0.7106101497403143
Energy: 0.6073386399625582
Energy: 0.6071308277280933
Energy: 0.6888265991448179
Energy: 0.6112204208986459
Energy: 0.6085755196353306
Energy: 0.6596251336171931
Energy: 0.6351540764856229
Energy: 0.6326751844420577
Energy: 0.6603659244737067
Energy: 0.663706982522532
Energy: 0.631839748577177
Energy: 0.6103528074902399
Energy: 0.6371018183353518
Energy: 0.6351625948270664
Energy: 0.6340392898782637
Energy: 0.640276538190107
Energy: 0.6343253748828419
Energy: 0.6635752787997778
Energy: 0.6507419829327095
Energy: 0.6504278686850101
Energy: 0.6805614504822394
Energy: 0.6629749187079786
Energy: 0.6342103546737651
Energy: 0.7081935007687598
Energy: 0.6332767821208599
Energy: 0.6345015624607488
Energy: 0.634708225057346
Energy: 0.6873121763764893
Energy: 0.6320719003107712
Energy: 0.7097784302385819
Energy: 0.6175670839137207
Energy: 0.6172831946067961
Energy: 0.6734760055021335
Energy: 0.6810488307130146
Energy: 0.6173980077902689
Energy: 0.6594099552234374
Energy: 0.6092687347616957
Energy: 0.6100533579790667
Energy: 0.6340615579174139
Energy: 0.610117814138201
Energy: 0.6313200091884945
Energy: 0.6667474126865813
Energy: 0.6090425117559531
Energy: 0.6072377336033091
Energy: 0.6341810673012273
Energy: 0.6101023754878045
Energy: 0.6311232343279098
Energy: 0.6182456428917447
Energy: 0.6478815669868107
Energy: 0.6488130306862508
Energy: 0.6198438264755092
Energy: 0.6516165983610864
Energy: 0.6468753274481329
Energy: 0.6855016093221844
Energy: 0.6324733741245417
Energy: 0.6322018874337129
Energy: 0.6842401184761532
Energy: 0.6353098470993622
Energy: 0.6353010459856683
Energy: 0.6648263365383311
Energy: 0.6495232418661265
Energy: 0.6521749060826756
Energy: 0.6326166032931461
Energy: 0.6780043810755061
Energy: 0.6460838317605613
Energy: 0.7433717693947459
Energy: 0.6301834255487399
Energy: 0.6071966207502264
Energy: 0.6122895862382952
Energy: 0.7545690652112286
Energy: 0.60679210337698
Energy: 0.7104675080010001
Energy: 0.6549592459496747
Energy: 0.6559430921728455
Energy: 0.6417043541474581
Energy: 0.6525994483694004
Energy: 0.6179214602999538
Energy: 0.6612757718857034
Energy: 0.6343103581489548
Energy: 0.6318094368240134
Energy: 0.6368423186140844
Energy: 0.6367275143404452
Energy: 0.6313160433429988
Energy: 0.6643651324213256
Energy: 0.6326772772654569
Energy: 0.6304281819399581
Energy: 0.6393031926595972
Energy: 0.651596786459826
Energy: 0.6318115903096503
Energy: 0.6626013278500743
Energy: 0.6424915775046645
Energy: 0.6179364533994186
Energy: 0.6781008423603956
Energy: 0.645782938197711
Energy: 0.6176466045404219
Energy: 0.7183103785845537
Energy: 0.629441509294196
Energy: 0.6296181212083617
Energy: 0.6853699438500663
Energy: 0.6328586162718967
Energy: 0.6320711864127716
Energy: 0.7053275497184922
Energy: 0.6351937164838709
Energy: 0.643767135332914
Energy: 0.6768029485320636
Energy: 0.6338523703081373
Energy: 0.6502868188878312
Energy: 0.7448846433700405
Energy: 0.6351309483953689
Energy: 0.6092905430508065
Energy: 0.7457082685617376
Energy: 0.6846387359724346
Energy: 0.6094859866305853
Energy: 0.707752486448386
Energy: 0.63703857185857
Energy: 0.6448576855770966
Energy: 0.6512910320132592
Energy: 0.6340682165920405
Energy: 0.6478441027425567
Energy: 0.7078128490272835
Energy: 0.6372879951156979
Energy: 0.6324686141412826
Energy: 0.6381832264100914
Energy: 0.6346685114009951
Energy: 0.6311435569897311
Energy: 0.708060284949697
Energy: 0.6337556443095399
Energy: 0.6319117677375216
Energy: 0.6379304733953581
Energy: 0.6610061548129293
Energy: 0.6312541534851459
Energy: 0.7082424642191633
Energy: 0.6540222420690545
Energy: 0.6594872121997776
Energy: 0.6789994686602533
Energy: 0.6428442149485859
Energy: 0.6173565379181569
Energy: 0.7101900337943089
Energy: 0.6182195549295523
Energy: 0.607426178557659
Energy: 0.6900275135176763
Energy: 0.6120989362719791
Energy: 0.6066680669785863
Energy: 0.6603024841769844
Energy: 0.6369009091218517
Energy: 0.6346290481162314
Energy: 0.6615048328738078
Energy: 0.6547848195750802
Energy: 0.6499371751215012
Energy: 0.6117590845385541
Energy: 0.6371805029020053
Energy: 0.6352609903791155
Energy: 0.6139831993991312
Energy: 0.636805326806424
Energy: 0.6346456436999465
Energy: 0.6607559533908758
Energy: 0.6382045629249625
Energy: 0.6318730684632927
Energy: 0.6506047210479072
Energy: 0.6614606857123095
Energy: 0.632846759654229
Energy: 0.7069045430428406
Energy: 0.6798065285548114
Energy: 0.6179214689264261
Energy: 0.6344822641381958
Energy: 0.6864328942478055
Energy: 0.6300096229134062
Energy: 0.7101458701891716
Energy: 0.6174788094198115
Energy: 0.6169086498288243
Energy: 0.6556996751894323
Energy: 0.686557575150358
Energy: 0.6180188869622729
Energy: 0.6587870159506939
Energy: 0.609427211164924
Energy: 0.6089152009984617
Energy: 0.6347736287291205
Energy: 0.6113628010213581
Energy: 0.6311466117322438
Energy: 0.6705841512641819
Energy: 0.6092403447228245
Energy: 0.6093320748493921
Energy: 0.6350777197871953
Energy: 0.6092171464362587
Energy: 0.6104880965260403
Energy: 0.6170160855835476
Energy: 0.6191334206063209
Energy: 0.61932264144886
Energy: 0.6188253444087015
Energy: 0.6179621625728292
Energy: 0.618521927813341
Energy: 0.6820108650072847
Energy: 0.6348015836521902
Energy: 0.635138404003605
Energy: 0.6340690338451748
Energy: 0.6337744013557534
Energy: 0.6376291609597567
Energy: 0.6619065357303259
Energy: 0.6474043467590234
Energy: 0.6501670797770792
Energy: 0.6985494720179695
Energy: 0.6771396841346106
Energy: 0.647834208061414
Energy: 0.7044145445449196
Energy: 0.6169812648361174
Energy: 0.6067996914360219
Energy: 0.6102280981894722
Energy: 0.6884656425564216
Energy: 0.6071490262800082

minimum gb energy = 0.6066680669785863 eV
minimum distance =  2.57002007681586 Angstroms
sigma value = 67


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

Energy: 0.8744080084478062
Energy: 0.6182038789694988
Energy: 0.6183452008060801
Energy: 0.6180902907365187
Energy: 0.7000759742510277
Energy: 0.6187738829176401
Energy: 0.7769443384356066
Energy: 0.6617951283590748
Energy: 0.6604304887997234
Energy: 0.6595388270632566
Energy: 0.6609746164015187
Energy: 0.6606771127396011
Energy: 0.7063351569273224
Energy: 0.6084013527090767
Energy: 0.6414228062856768
Energy: 0.6423338629653139
Energy: 0.6130949039230642
Energy: 0.6414225282641446
Energy: 0.7031889665983896
Energy: 0.644639083390398
Energy: 0.642847200720805
Energy: 0.6491346317287591
Energy: 0.6436286962838352
Energy: 0.6428440362646759
Energy: 0.6982629130788548
Energy: 0.6611061862597376
Energy: 0.6656591887432439
Energy: 0.6995141920732232
Energy: 0.6610834566882937
Energy: 0.6661996479935856
Energy: 0.7006874769141913
Energy: 0.6389910245546909
Energy: 0.6639905141419801
Energy: 0.7015719046488765
Energy: 0.6365626345500168
Energy: 0.66393422570118
Energy: 0.7766773048748009
Energy: 0.662736021819214
Energy: 0.6606169884162812
Energy: 0.6100512484258523
Energy: 0.6619815786754999
Energy: 0.6601468710211676

minimum gb energy = 0.6084013527090767 eV
minimum distance =  2.63024532662708 Angstroms
sigma value = 3


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

Energy: 1.1542927673730645
Energy: 0.871013784994004
Energy: 0.770179490334223
Energy: 0.7848189291952725
Energy: 0.896402468079976
Energy: 0.769364526396263
Energy: 0.7413066712346233
Energy: 0.7543571092862452
Energy: 0.7416931368065829
Energy: 0.761567203376912
Energy: 0.7527432494929689
Energy: 0.743917195622176
Energy: 0.7426465431792398
Energy: 0.7443620558515127
Energy: 0.7409743486944983
Energy: 0.7435815639999602
Energy: 0.7436964209629787
Energy: 0.7449799748792751
Energy: 0.7520271075474226
Energy: 0.7453779247901846
Energy: 0.7441974812394608
Energy: 0.7515560598841813
Energy: 0.7425686165772378
Energy: 0.7451726884418242
Energy: 0.7490343970032461
Energy: 0.7633640831717062
Energy: 0.7439166366161332
Energy: 0.7504880571102726
Energy: 0.7628338304452913
Energy: 0.7432950658707563
Energy: 0.7425217581372314
Energy: 0.764027821842447
Energy: 0.7645062328370806
Energy: 0.7421606761362824
Energy: 0.7629340838288472
Energy: 0.764515447438317
Energy: 0.741795552536644
Energy: 0.7634631916845094
Energy: 0.7896253297543969
Energy: 0.7632851659707934
Energy: 0.7764474869715948
Energy: 0.7485810670839101
Energy: 1.0784334261141693
Energy: 0.7547848550167482
Energy: 0.7775880799173206
Energy: 0.7503638400006801
Energy: 0.7879654378485
Energy: 0.7778974423541195
Energy: 0.7422121880592097
Energy: 0.7459248794095727
Energy: 0.7679929949254788
Energy: 0.7638680839273866
Energy: 0.7685337472157481
Energy: 0.7596395497719063
Energy: 0.7425183351470018
Energy: 0.750332726660733
Energy: 0.7492668295008339
Energy: 0.7430489842962876
Energy: 0.7499708077377955
Energy: 0.7407371484718043
Energy: 0.7790331169452185
Energy: 0.7402346277478457
Energy: 0.7407138013207121
Energy: 0.7526559021058578
Energy: 0.7691903813211471
Energy: 0.7665329218361632
Energy: 0.8244999781717907
Energy: 0.7655379877836963
Energy: 0.7694136592075905
Energy: 0.7857387005258343
Energy: 0.7536265465878427
Energy: 0.763562015976474
Energy: 0.7829035238163462
Energy: 0.7665193642674102
Energy: 0.7431270162532958
Energy: 0.7783942017612364
Energy: 0.7593425855668661
Energy: 0.7434916956439066
Energy: 0.7686539905690691
Energy: 0.751042716622477
Energy: 0.7441277123790421
Energy: 0.7525901859537871
Energy: 0.7475023649186885
Energy: 0.7448559911396835
Energy: 0.8230791224105845
Energy: 0.822185455355112
Energy: 0.7486075010043336
Energy: 0.7647347147447496
Energy: 0.8188751645064402
Energy: 0.7672032161412193
Energy: 0.7679594387450084
Energy: 0.7438701324336264
Energy: 0.7437913168695914
Energy: 0.7852402360898025
Energy: 0.7626409451130091
Energy: 0.7481173367035666
Energy: 0.9079631648810901
Energy: 0.7484393067688679
Energy: 0.747002072278124
Energy: 0.9039809446916468
Energy: 0.7486390158364259
Energy: 0.7777238259844013
Energy: 0.7777583124044538
Energy: 0.7749212916735722
Energy: 0.7735281338181874
Energy: 0.7546963406555691
Energy: 0.7769774477028122
Energy: 0.7764460373290211
Energy: 0.8936176203760536
Energy: 0.7500600772881001
Energy: 0.7444993879002408
Energy: 0.7461115026329966
Energy: 0.7745233929906389
Energy: 0.7469232519488858
Energy: 0.8579867180174761
Energy: 0.7445012002141074
Energy: 0.7460517465982751
Energy: 0.7464898882972563
Energy: 0.745275900936046
Energy: 0.7486885527713887
Energy: 0.7746379633731066
Energy: 0.7750041914511894
Energy: 0.7741664417574986
Energy: 0.7839270395426458
Energy: 0.7725907173702538
Energy: 0.7772390508258546
Energy: 0.7649529217064058
Energy: 0.7964285923999473
Energy: 0.793825233911705
Energy: 0.7747550578552592
Energy: 0.7835632225455114
Energy: 0.7876504751048894
Energy: 0.7633033451731248
Energy: 0.784646686488278
Energy: 0.7680675735494156
Energy: 0.7651202712036957
Energy: 0.7763682027841291
Energy: 0.7740634635228912
Energy: 0.7712871796652329
Energy: 0.7483607133656622
Energy: 0.795386433753271
Energy: 0.7460370571565457
Energy: 0.7503339577413901
Energy: 0.746505437054453
Energy: 0.7562711050959788
Energy: 0.7455791778361157
Energy: 0.7460402852398741
Energy: 0.7956131330695512
Energy: 0.7989050653959019
Energy: 0.7471951994776991
Energy: 0.9534879736171318
Energy: 0.7870187103957201
Energy: 0.7779635870506562
Energy: 0.7413051777922168
Energy: 0.7794853945599624
Energy: 0.7400940454800226
Energy: 0.7506083712924622
Energy: 0.7839996567075703
Energy: 0.7773465351405878
Energy: 0.7427101183072392
Energy: 0.7877217946800265
Energy: 0.7395645814114706
Energy: 0.758752579428949
Energy: 0.7466422697685147
Energy: 0.7478676082097699
Energy: 0.7942166835913531
Energy: 0.7615787267415355
Energy: 0.747457406376884
Energy: 0.7419669389293194
Energy: 0.7434986352789552
Energy: 0.7425288850740315
Energy: 0.7427545154989352
Energy: 0.7457882079140504
Energy: 0.7465960550603965
Energy: 0.7420522657183248
Energy: 0.7633492175697556
Energy: 0.7431619185888532
Energy: 0.7426431987350267
Energy: 0.7614254247867845
Energy: 0.7411733428953318
Energy: 0.7435065257219005
Energy: 0.7426838252653574
Energy: 0.7432766187470522
Energy: 0.7426730518256676
Energy: 0.7436268543170717
Energy: 0.7427470309150749
Energy: 0.7466331307911668
Energy: 0.7614619455979289
Energy: 0.7626802590573462
Energy: 0.7700173039683897
Energy: 0.7880998661311408
Energy: 0.7651955172214904
Energy: 0.9081163287254428
Energy: 0.7581921818321586
Energy: 0.7427049529929186
Energy: 0.7476525398772693
Energy: 0.8044571988822243
Energy: 0.7452450618089834
Energy: 0.7724787509124612
Energy: 0.7646841724979849
Energy: 0.7686826028544665
Energy: 0.7460706638096612
Energy: 0.7858005923211201
Energy: 0.7633433889172285
Energy: 0.7550458969720616
Energy: 0.7425151993831843
Energy: 0.7418185870639051
Energy: 0.7679595755004677
Energy: 0.74005746618555
Energy: 0.7679082315388512
Energy: 0.7624593017743622
Energy: 0.7499055492154465
Energy: 0.7496300485795147
Energy: 0.7679560127253938
Energy: 0.7500023234498608
Energy: 0.7408022036391643
Energy: 0.8053647576433652
Energy: 0.7724150779262943
Energy: 0.77701735376876
Energy: 0.7708377678418236
Energy: 0.7699873615435819
Energy: 0.7625921777290535
Energy: 0.8755222250198709
Energy: 0.7975234828055822
Energy: 0.8028200803656041
Energy: 0.7825472218993191
Energy: 0.7461075929972749
Energy: 0.8118592636509748
Energy: 0.7707973238288127
Energy: 0.7488796499470222
Energy: 0.7413071680146079
Energy: 0.7757771659554817
Energy: 0.7457288342819504
Energy: 0.7427583507857386
Energy: 0.8210903607679327
Energy: 0.7440048899516425
Energy: 0.744854243348792
Energy: 0.7630383448672833
Energy: 0.7438110099594772
Energy: 0.7459679735099115
Energy: 0.7676913866563472
Energy: 0.7496908432572794
Energy: 0.74829696724054
Energy: 0.7449301454539191
Energy: 0.8053586046238141
Energy: 0.7436101851822827
Energy: 0.7858372088553491
Energy: 0.7598954480468849
Energy: 0.760917632451574
Energy: 0.7444198300106795
Energy: 0.7423289339457386
Energy: 0.778769561927391
Energy: 0.8613200836694516
Energy: 0.7476195456336613
Energy: 0.7470967259398837
Energy: 0.7988433224445353
Energy: 0.7477755420358291
Energy: 0.7829545073911014
Energy: 0.7871983208509349
Energy: 0.7450238534149339
Energy: 0.746111922955373
Energy: 0.7460123546233464
Energy: 0.7645783432219685
Energy: 0.7473694529910981
Energy: 1.0044945399536618
Energy: 0.7451624944838792
Energy: 0.805517278901101
Energy: 0.7684885342149352
Energy: 0.7444977364289336
Energy: 0.8063712833883762
Energy: 0.7638706444546544
Energy: 0.773835034170217
Energy: 0.778327520643893
Energy: 0.7726892454137129
Energy: 0.7671525492378335
Energy: 0.7697259382948325
Energy: 0.7678958647562218
Energy: 0.7864691488500872
Energy: 0.784270821604734
Energy: 0.778292116822413
Energy: 0.7734577632598142
Energy: 0.7852261410564332
Energy: 0.7718727856803776
Energy: 0.7808978591679141
Energy: 0.7786035310081185
Energy: 0.7738495180877376
Energy: 0.7764240169143977
Energy: 0.7766418852328068
Energy: 0.7712006644098841
Energy: 0.7452577025543181
Energy: 0.7460296158206385
Energy: 0.7506956419077793
Energy: 0.744833553889071
Energy: 0.7454995291701041
Energy: 0.7429081026968928
Energy: 0.7461202571189988
Energy: 0.7450064538072814
Energy: 0.7434049690778837
Energy: 0.7468509196066205
Energy: 0.7451082227332926
Energy: 0.739515548453211
Energy: 0.7827747116713907
Energy: 0.7806645991850257
Energy: 0.7755364300099292
Energy: 0.7782105574290109
Energy: 0.7740584588552644

minimum gb energy = 0.739515548453211 eV
minimum distance =  2.52354999763536 Angstroms
sigma value = 81


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

Energy: 1.4659998735655488
Energy: 0.8053831888651919
Energy: 0.8079538386997088
Energy: 0.8096024769773345
Energy: 0.8261895770725864
Energy: 0.8074435398574799
Energy: 0.7548059253260982
Energy: 0.7499730479179648
Energy: 0.7863070628887102
Energy: 0.7732000057816147
Energy: 0.7512412440256063
Energy: 0.7903901408934422
Energy: 0.771986080126758
Energy: 0.7569347335088601
Energy: 0.7567545917865357
Energy: 0.8230214586592614
Energy: 0.7537776905086945
Energy: 0.7941564391435236
Energy: 0.7719221287878049
Energy: 0.7536000097863838
Energy: 0.7882997519286365
Energy: 0.7728691792953675
Energy: 0.7603395451588437
Energy: 0.7889795932202561
Energy: 0.7701727005041902
Energy: 0.7762054508712619
Energy: 0.7757804760652833
Energy: 0.7710632906313278
Energy: 0.7835080396403753
Energy: 0.7752707920203407
Energy: 0.7706635698614364
Energy: 0.7776107919422515
Energy: 0.7751008510221481
Energy: 0.7766948855212549
Energy: 0.7833099984387822
Energy: 0.7744967514594647
Energy: 0.7611701491460318
Energy: 0.7680206304311162
Energy: 0.7729841794628037
Energy: 0.758889157540151
Energy: 0.7568049987784566
Energy: 0.7705351871332236
Energy: 1.0903376567088752
Energy: 0.8429620103292352
Energy: 0.8439750840240561
Energy: 0.7306580572873291
Energy: 0.8108664527490298
Energy: 0.7749619736161274
Energy: 0.7641416985360809
Energy: 0.7742752950805013
Energy: 0.7803647898907502
Energy: 0.760260472914228
Energy: 0.7632139462683792
Energy: 0.7857166919979012
Energy: 0.8423192192925117
Energy: 0.7250940570849272
Energy: 0.7247831669347173
Energy: 0.8476532817916203
Energy: 0.725736784673769
Energy: 0.7251750084604197
Energy: 0.7475882334899002
Energy: 0.7240172492551232
Energy: 0.7248430374712439
Energy: 0.7483429916329744
Energy: 0.7429955456636242
Energy: 0.7489747134355644
Energy: 0.7413906418129087
Energy: 0.7714695310419167
Energy: 0.7729931732747963
Energy: 0.7551966411152232
Energy: 0.7742841855870751
Energy: 0.7726053631529699
Energy: 0.7769278741875648
Energy: 0.7482554651644006
Energy: 0.7484932724068502
Energy: 0.7536769064845608
Energy: 0.7772109502883137
Energy: 0.7285239701130857
Energy: 0.7217513473304344
Energy: 0.7827293915375585
Energy: 0.7840667096810099
Energy: 0.7267502685396515
Energy: 0.7478361449314339
Energy: 0.7803710970397262
Energy: 0.9025198788634946
Energy: 0.8656781616322531
Energy: 0.8389277011797435
Energy: 0.7092305269911594
Energy: 0.7801668878208521
Energy: 0.7101818286684489
Energy: 0.7245248865712437
Energy: 0.7086915207598119
Energy: 0.7080934222842559
Energy: 0.725804889816335
Energy: 0.7093509930698065
Energy: 0.7373178420231219
Energy: 0.8982196864884023
Energy: 0.7281086528815516
Energy: 0.7768591925522148
Energy: 0.8461294262739621
Energy: 0.7283679546748937
Energy: 0.7753732266244162
Energy: 0.7063291180211999
Energy: 0.7067408164182508
Energy: 0.7074292661836388
Energy: 0.7074105125402144
Energy: 0.7062331236382865
Energy: 0.7384586079376891
Energy: 0.7083367002670428
Energy: 0.7078418003306828
Energy: 0.7076621623721775
Energy: 0.7076288316177576
Energy: 0.7104799300401897
Energy: 0.7078334525909148
Energy: 0.7083212564578175
Energy: 0.7077975349086404
Energy: 0.7081360083669527
Energy: 0.7089079358426592
Energy: 0.7081398719065183
Energy: 0.7080694288099936
Energy: 0.7067729872117295
Energy: 0.7075253772595113
Energy: 0.7323540967678098
Energy: 0.7071737785039086
Energy: 0.7152475934996311
Energy: 0.7385300843299668
Energy: 0.7848884106597251
Energy: 0.7753543031178252
Energy: 0.7840235366003171
Energy: 0.7833822449116217
Energy: 0.7673173787403514
Energy: 0.7831109789048342
Energy: 0.7228146331839048
Energy: 0.7096314875591144
Energy: 0.7359634274699198
Energy: 0.7248991931258016
Energy: 0.7125359806665044
Energy: 0.7092254454172804
Energy: 0.7855257510417416
Energy: 0.7538372535325377
Energy: 0.7097291030533808
Energy: 0.7095020351249887
Energy: 0.753402740119007
Energy: 0.7092384092916022
Energy: 0.7250342679671904
Energy: 0.7853225497658514
Energy: 0.7878325298236784
Energy: 0.7496254246420763
Energy: 0.7812944213851301
Energy: 0.7874813752579792
Energy: 0.8870875938572403
Energy: 0.7741651656014368
Energy: 0.7728481603254358
Energy: 0.7299929936328001
Energy: 0.7688384770364234
Energy: 0.7722462481747139
Energy: 0.7822439071725652
Energy: 0.7722298390164267
Energy: 0.7733619057565931
Energy: 0.7281519367981432
Energy: 0.7526642762824243
Energy: 0.7723482695726592
Energy: 0.7253051321517958
Energy: 0.750888104189835
Energy: 0.7605210667506503
Energy: 0.7715179765834187
Energy: 0.7596633063730928
Energy: 0.750043721650936
Energy: 0.7959927888663983
Energy: 0.7253534223805589
Energy: 0.7254248335871128
Energy: 0.7900476759556359
Energy: 0.7260721058548021
Energy: 0.72614342124506
Energy: 0.7629974481926669
Energy: 0.7735090137613603
Energy: 0.7810032741420666
Energy: 0.7603724127543432
Energy: 0.762166287183893
Energy: 0.7891516638165701
Energy: 0.7770810980556622
Energy: 0.8086495150947483
Energy: 0.8078687754897178
Energy: 0.7541720840570085
Energy: 0.7977189517268249
Energy: 0.7826001813004277
Energy: 0.7624868944838006
Energy: 0.7467101189121902
Energy: 0.7464160903167577
Energy: 0.7579623126952034
Energy: 0.750003522799135
Energy: 0.7483712631210931
Energy: 0.8822951401360764
Energy: 0.7787448809409305
Energy: 0.7787152419222936
Energy: 0.7816701955286001
Energy: 0.7777021819877715
Energy: 0.7815601772749674
Energy: 0.7752292699709421
Energy: 0.7910806305568499
Energy: 0.7803097965598191
Energy: 0.7871828283973727
Energy: 0.782610819831976
Energy: 0.7834640338147161
Energy: 0.7778648099280002
Energy: 0.7523269909762627
Energy: 0.8012179462602949
Energy: 0.7748525026222535
Energy: 0.7288429069283959
Energy: 0.793849237097563
Energy: 0.9191297056015262
Energy: 0.7290643765287106
Energy: 0.7297922288536075
Energy: 0.8664824029627002
Energy: 0.7285558227708153
Energy: 0.8372690115649049
Energy: 0.7697804186005142
Energy: 0.7550405748401182
Energy: 0.7849178256629669
Energy: 0.7727441858708871
Energy: 0.749360288226779
Energy: 0.7883378803961264
Energy: 0.8526941517536987
Energy: 0.8188367479857531
Energy: 0.8105663642163812
Energy: 0.7301558814735911
Energy: 0.808302751776449
Energy: 0.8084407264157845

minimum gb energy = 0.7062331236382865 eV
minimum distance =  2.52490649331708 Angstroms
sigma value = 43


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

Energy: 1.2613636158720019
Energy: 0.7727193113209933
Energy: 0.8362739459175957
Energy: 0.7881410244063776
Energy: 0.8675118362554587
Energy: 0.7880428096509976
Energy: 0.7281662436491204
Energy: 0.7289151487689149
Energy: 0.7377252607454098
Energy: 0.7784597328859133
Energy: 0.7408716002424932
Energy: 0.769806478089939
Energy: 0.7498984220246228
Energy: 0.7291714794593376
Energy: 0.7292797075348838
Energy: 0.7677244086667012
Energy: 0.7283939195231303
Energy: 0.7481030968161518
Energy: 0.7482661642080155
Energy: 0.7279092399841656
Energy: 0.746950145239098
Energy: 0.7486302165920473
Energy: 0.7456618432269116
Energy: 0.7475778698609283
Energy: 0.7460305542270822
Energy: 0.7797650746260049
Energy: 0.7792112859837805
Energy: 0.7462210057867197
Energy: 0.7640323338896104
Energy: 0.7748694937298116
Energy: 0.7468943125387618
Energy: 0.7606384472122864
Energy: 0.779675382608649
Energy: 0.7684884080402661
Energy: 0.7560469418374814
Energy: 0.779629552149651
Energy: 0.7472550244286068
Energy: 0.747664383534966
Energy: 0.745959485524272
Energy: 0.748002021436264
Energy: 0.7461279572406708
Energy: 0.7546327656065595
Energy: 0.8547401316763725
Energy: 0.7493673726016702
Energy: 0.749055692718973
Energy: 0.7266549832556773
Energy: 0.7505761871346768
Energy: 0.7725878858839944
Energy: 0.7407862000292317
Energy: 0.7477678954976226
Energy: 0.7486237942461336
Energy: 0.7410726854115716
Energy: 0.7457108866019687
Energy: 0.7572845997862165
Energy: 0.7395030481582994
Energy: 0.7445194902426339
Energy: 0.7449966382983386
Energy: 0.7290724228730266
Energy: 0.7438813089600822
Energy: 0.7449888606492061
Energy: 0.7267812246761178
Energy: 0.7543786993104789
Energy: 0.724799636631059
Energy: 0.7402269593403092
Energy: 0.73497581726414
Energy: 0.7376056338826934
Energy: 0.747945503127035
Energy: 0.7481365920383132
Energy: 0.7481384634127975
Energy: 0.7352412818845944
Energy: 0.7476170310606143
Energy: 0.7479023613894697
Energy: 0.7526820537955983
Energy: 0.7485899016488013
Energy: 0.7627332352626601
Energy: 0.7270089770728653
Energy: 0.7494372148718177
Energy: 0.7623699845962278
Energy: 0.7268078735243475
Energy: 0.7460621941219656
Energy: 0.7387600080706281
Energy: 0.7404878083850038
Energy: 0.7487706356639068
Energy: 0.7382572914770886
Energy: 0.7269295347624755
Energy: 0.7670572203469241
Energy: 0.7369233806984958
Energy: 0.7272918287727285
Energy: 0.7885311257181354
Energy: 0.7331890640740087
Energy: 0.7255434077271449
Energy: 0.7721180014139165
Energy: 0.7272572487205136
Energy: 0.72761267549889
Energy: 0.7457511362530393
Energy: 0.7267437218564291
Energy: 0.7304111691811755
Energy: 0.728648198711121
Energy: 0.7281532392047333
Energy: 0.7320020574513247
Energy: 0.7245603014598035
Energy: 0.7285462303946005
Energy: 0.7307023854590258
Energy: 0.727327705841345
Energy: 0.7273397310355664
Energy: 0.7668978658125841
Energy: 0.7264548744513697
Energy: 0.7271846776728407
Energy: 0.736716111830244
Energy: 0.7268126149688809
Energy: 0.727930266726747
Energy: 0.7235430871652997
Energy: 0.7271734253633615
Energy: 0.7452079938472004
Energy: 0.7366138427384936
Energy: 0.7271865107346013
Energy: 0.7280590127332781
Energy: 0.7236899942750773
Energy: 0.7264094685867848
Energy: 0.745599615947693
Energy: 0.7305580373299059
Energy: 0.7272497274630476
Energy: 0.7255393634032433
Energy: 0.7449700967921492
Energy: 0.7509971703620669
Energy: 0.7271550218952392
Energy: 0.8593701009164623
Energy: 0.7625054583046196
Energy: 0.7908580400328569
Energy: 0.8568966830800276
Energy: 0.7276597861775141
Energy: 0.791780675320167
Energy: 0.7675709068425625
Energy: 0.7273274793054215
Energy: 0.7260636038934372
Energy: 0.7452176487308184
Energy: 0.7443281933705235
Energy: 0.7673814759110086
Energy: 0.7786487182503208
Energy: 0.7307437808386011
Energy: 0.7287114111463776
Energy: 0.7228686024049459
Energy: 0.8469141341220903
Energy: 0.728316572569109
Energy: 0.7875164348044885
Energy: 0.7277358746355437
Energy: 0.7264731302880515
Energy: 0.7603154332164663
Energy: 0.727941599416622
Energy: 0.7266914514541515
Energy: 0.7763446003265277
Energy: 0.7263816977022348
Energy: 0.7265392452969244
Energy: 0.7379019191469214
Energy: 0.7268790112660656
Energy: 0.7380611549358762
Energy: 0.7773548797723846
Energy: 0.7300664423609162
Energy: 0.7253982655229165
Energy: 0.7411723755152667
Energy: 0.7377975714426905
Energy: 0.7252884110982418
Energy: 0.7848166580255233
Energy: 0.7381211763461621
Energy: 0.7726515821730555
Energy: 0.7460472493368338
Energy: 0.7404904114333225
Energy: 0.7466365483182247
Energy: 0.8224325429561994
Energy: 0.7453953291347704
Energy: 0.7459375969253333
Energy: 0.8226471272875068
Energy: 0.725089199066999
Energy: 0.7895005990348913
Energy: 0.7489627558601976
Energy: 0.7290339786324065
Energy: 0.7381913521825897
Energy: 0.7879082975770664
Energy: 0.7410957716760805
Energy: 0.7560405526971895
Energy: 0.8363498846024969
Energy: 0.7387301656824653
Energy: 0.7294202701358946
Energy: 0.7599449460941717
Energy: 0.8012342855649316
Energy: 0.7285832285151955

minimum gb energy = 0.7228686024049459 eV
minimum distance =  2.57457521738119 Angstroms
sigma value = 57


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

Energy: 0.9338548657297278
Energy: 0.798172490391801
Energy: 0.7998331319971455
Energy: 0.7892211319148024
Energy: 0.8274928255260549
Energy: 0.8017179544167001
Energy: 0.6753787375106344
Energy: 0.7449410715106962
Energy: 0.7258043806436436
Energy: 0.7405730659978443
Energy: 0.740903561578208
Energy: 0.7022547236547396
Energy: 0.8250228802884011
Energy: 0.6732878398796261
Energy: 0.6708812366783093
Energy: 0.8011062966603816
Energy: 0.6728233723713286
Energy: 0.6713277553927157
Energy: 0.7330374133830782
Energy: 0.670287417812347
Energy: 0.6708815266041058
Energy: 0.7319515200662605
Energy: 0.6728638282685603
Energy: 0.7387922442121718
Energy: 0.7313282185957842
Energy: 0.7041653270051965
Energy: 0.7046776251811622
Energy: 0.7324948887233573
Energy: 0.7031900557262873
Energy: 0.7049568914561432
Energy: 0.6719200345517266
Energy: 0.7029124567562146
Energy: 0.7056725320918388
Energy: 0.7030438103086228
Energy: 0.70288310392191
Energy: 0.7026672303222659
Energy: 0.7407489920182061
Energy: 0.7325801740256039
Energy: 0.735290954327343
Energy: 0.7437045576797037
Energy: 0.7316166284979626
Energy: 0.7302782280234413
Energy: 0.8679666354733567
Energy: 0.7407528251043975
Energy: 0.7450284981435756
Energy: 0.7015396560778405
Energy: 0.8002512795116519
Energy: 0.7358699861235904
Energy: 0.7396860180695041
Energy: 0.7347730337362038
Energy: 0.7382496060430604
Energy: 0.7405567558947601
Energy: 0.7411838698204026
Energy: 0.7033642537833327
Energy: 0.741542676314084
Energy: 0.7303074584092949
Energy: 0.7295609094773733
Energy: 0.7448611929530387
Energy: 0.7356798833102136
Energy: 0.7288129841227269
Energy: 0.7867239767780726
Energy: 0.6992939790865778
Energy: 0.7280842523358656
Energy: 0.744923398887109
Energy: 0.7401182461091615
Energy: 0.7392637829106952
Energy: 0.6704603459743878
Energy: 0.7895982987770839
Energy: 0.7353667865949715
Energy: 0.6724294247967594
Energy: 0.7437367095984687
Energy: 0.7855969035981432
Energy: 0.6719117589003417
Energy: 0.7918875352803121
Energy: 0.7873443592311407
Energy: 0.6707690373273336
Energy: 0.7445333500765319
Energy: 0.7883188565227909
Energy: 0.7882874910085601
Energy: 0.7409017301001868
Energy: 0.7025860234965426
Energy: 0.7405848704339811
Energy: 0.7405113853575038
Energy: 0.7271699886404176
Energy: 0.7322508721550101
Energy: 0.7877787251529993
Energy: 0.795415431296858
Energy: 0.7324096790973916
Energy: 0.7885495579826188
Energy: 0.7922505941602739
Energy: 0.7308760731287711
Energy: 0.7030213081767231
Energy: 0.7231840010253737
Energy: 0.7321107801554769
Energy: 0.7043374374569886
Energy: 0.7304939011208406
Energy: 0.7303523256823193
Energy: 0.7291752888457669
Energy: 0.7044295311224614
Energy: 0.7035646270520266
Energy: 0.70254256893438
Energy: 0.702116932612924
Energy: 0.7309349162535845
Energy: 0.7042376426732949
Energy: 0.703094958350503
Energy: 0.7030353518425728
Energy: 0.737353559507026
Energy: 0.7033483573168758
Energy: 0.7419197132005511
Energy: 0.7350599919124097
Energy: 0.7353044795471676
Energy: 0.7026401534849247
Energy: 0.7337558847593288
Energy: 0.7383880627876271
Energy: 0.7412102954646013
Energy: 0.7350592259986682
Energy: 0.7365613508219534
Energy: 0.7026115989999283
Energy: 0.735321542739072
Energy: 0.7379745969557854
Energy: 0.7418620061533964
Energy: 0.7244425558348964
Energy: 0.7034386536789725
Energy: 0.7426184999584092
Energy: 0.7413385576955327
Energy: 0.7260931346255148
Energy: 0.8193596026651836
Energy: 0.7313189592895313
Energy: 0.792181707437648
Energy: 0.762961684226001
Energy: 0.7314364229910286
Energy: 0.7943462758727713
Energy: 0.7895622863655553
Energy: 0.7413246954725533
Energy: 0.7035387991612877
Energy: 0.7401013861145651
Energy: 0.7406084613922559
Energy: 0.7029954175793993
Energy: 0.671905681427802
Energy: 0.7400878454596201
Energy: 0.7876622315726968
Energy: 0.6707702531916553
Energy: 0.7491930574675905
Energy: 0.7887186799050878

minimum gb energy = 0.670287417812347 eV
minimum distance =  2.51818595842165 Angstroms
sigma value = 17


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

Energy: 1.1147792565408332
Energy: 0.8336758233640317
Energy: 0.8440749431649197
Energy: 0.8417369329034953
Energy: 0.7279430771000643
Energy: 0.7198594165262429
Energy: 0.682539424095271
Energy: 0.7732381587769107
Energy: 0.7175752976716112
Energy: 0.6678307984300202
Energy: 0.7764241195628141
Energy: 0.7161481015158936
Energy: 0.8074174381159903
Energy: 0.6822952576323945
Energy: 0.6824288865386092
Energy: 0.7702090386126159
Energy: 0.6820342422307824
Energy: 0.6823863964770777
Energy: 0.7727358936819703
Energy: 0.6816941490595619
Energy: 0.6818666923081302
Energy: 0.7723232100560584
Energy: 0.6284084187755576
Energy: 0.7451313703432182
Energy: 0.6665679294244736
Energy: 0.6570653775447383
Energy: 0.6557663721218188
Energy: 0.6674427484524589
Energy: 0.6579377349731282
Energy: 0.6883138745765307
Energy: 0.6825971947125036
Energy: 0.6567492704013679
Energy: 0.6557890770728447
Energy: 0.6266153763915775
Energy: 0.656060960592649
Energy: 0.6267723112895048
Energy: 0.6564245551644445
Energy: 0.655082680093946
Energy: 0.6566252362135044
Energy: 0.6565861461192996
Energy: 0.6601602636825968
Energy: 0.6899907450572014
Energy: 0.6563854439398236
Energy: 0.6810600725582078
Energy: 0.737378070250496
Energy: 0.7005959971968407
Energy: 0.7263402434864745
Energy: 0.7357102095042722
Energy: 0.6582922822442853
Energy: 0.6874398050392069
Energy: 0.6876556432196768
Energy: 0.6602098326945542
Energy: 0.6838052789832999
Energy: 0.656129063043733
Energy: 0.6560511105994465
Energy: 0.6558006213417863
Energy: 0.688059541924677
Energy: 0.6564109616097065
Energy: 0.6572736584718333
Energy: 0.6888822623099841
Energy: 0.6570117320535191
Energy: 0.6564783252171366
Energy: 0.6884351263406522
Energy: 0.7164238923234816
Energy: 0.6683878824590376
Energy: 0.6573657692175117
Energy: 0.6663521025032867
Energy: 0.7794831402743196
Energy: 0.7368105692993033
Energy: 0.6804889328604986
Energy: 0.7778340302923361
Energy: 0.7454239822002711
Energy: 0.6650390131774405
Energy: 0.7757213498948251
Energy: 0.7737152235448043
Energy: 0.666798703050139
Energy: 0.776345480373542
Energy: 0.7748500046014107
Energy: 0.6571997780115845
Energy: 0.779345592735092
Energy: 0.7165547252390108
Energy: 0.6562214209303898
Energy: 0.7817186968799638
Energy: 0.7155411605769642
Energy: 0.7498042750281112
Energy: 0.7730350282869654
Energy: 0.7793983796559245
Energy: 0.7624173440260648
Energy: 0.7722945258104613
Energy: 0.7794015629633063
Energy: 0.7427965476385949
Energy: 0.6889123299879554
Energy: 0.7465534950625627
Energy: 0.855660154450486
Energy: 0.6581418909914335
Energy: 0.7139309449245038
Energy: 0.6258149106167579
Energy: 0.7613739827342288
Energy: 0.8674338743032182
Energy: 0.6850857731012583
Energy: 0.7838706703538941
Energy: 0.7244883119321295

minimum gb energy = 0.6258149106167579 eV
minimum distance =  2.54211710949954 Angstroms
sigma value = 17


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

Energy: 1.1950201446257844
Energy: 0.8496549985350995
Energy: 0.7415236287386888
Energy: 0.7390750457475409
Energy: 1.075687543928623
Energy: 0.7792392037749744
Energy: 0.7091158813314408
Energy: 0.6648653002392866
Energy: 0.6627555568164186
Energy: 0.6747740170985163
Energy: 0.6759424947882822
Energy: 0.7291024654109821
Energy: 0.9179630402477191
Energy: 0.617173266073882
Energy: 0.7036655001428792
Energy: 0.7767310834801857
Energy: 0.6521605420976258
Energy: 0.7038687669250386
Energy: 0.6742329194350686
Energy: 0.7038062905109661
Energy: 0.7029672003026589
Energy: 0.6694604609863385
Energy: 0.6238899035538292
Energy: 0.7032257203123227
Energy: 0.6731214776063033
Energy: 0.6648306025543915
Energy: 0.6635783895116014
Energy: 0.673625075838135
Energy: 0.6632005060814427
Energy: 0.6858101054508321
Energy: 0.5906440414559978
Energy: 0.6624319409441143
Energy: 0.6176270625042674
Energy: 0.6213977930725658
Energy: 0.6615154716525625
Energy: 0.6241251996169681
Energy: 0.60571465113283
Energy: 0.6707887239924071
Energy: 0.6615517203549142
Energy: 0.6305478247165501
Energy: 0.6650643107419824
Energy: 0.6447584328869028
Energy: 0.6059854877100871
Energy: 0.687857144550749
Energy: 0.6064146793863048
Energy: 0.6064042553083102
Energy: 0.5910660760976068
Energy: 0.6067105098524351
Energy: 0.6068299114015117
Energy: 0.6498332190027492
Energy: 0.6061756502098691
Energy: 0.6084227603383704
Energy: 0.6474639652328933
Energy: 0.6045678212730607
Energy: 0.6048630604948262
Energy: 0.6888792875439094
Energy: 0.6866568932946611
Energy: 0.6048910084444165
Energy: 0.6655044987385343
Energy: 0.6855998484377763
Energy: 0.6225242616374936
Energy: 0.6241535271507029
Energy: 0.6810815440773518
Energy: 0.6663346711843443
Energy: 0.6046923695189077
Energy: 0.6841118466472067
Energy: 0.6085305271108937
Energy: 0.6048476190719159
Energy: 0.6047217273785969
Energy: 0.6206068388953803
Energy: 0.6122546507744887
Energy: 0.6061171720723264
Energy: 0.6218262514070316
Energy: 0.6062918189877694
Energy: 0.6067385111212247
Energy: 0.6305421805431222
Energy: 0.6064210576341625
Energy: 0.6052428920434111
Energy: 0.6618194415087253
Energy: 0.6576189054236964
Energy: 0.6547844054290285
Energy: 0.6621322745964131
Energy: 0.6301243015670289
Energy: 0.6611522120153269
Energy: 0.6617343583408605
Energy: 0.6078649809681977
Energy: 0.6076897143811505
Energy: 0.6616412519224373
Energy: 0.6801593079982406
Energy: 0.6895490849584628
Energy: 0.7692993538405234
Energy: 0.6710926721294127
Energy: 0.6854509680424455
Energy: 0.714964890661341
Energy: 0.6741192942284459
Energy: 0.6853358098020401
Energy: 0.6061668647840714
Energy: 0.7886775579269996
Energy: 0.669881246469479
Energy: 0.6082659261674586
Energy: 0.7840805446521638
Energy: 0.6599722777925946
Energy: 0.6072314869768101
Energy: 0.7847666260185451
Energy: 0.7849682816316869
Energy: 0.6767555207831466
Energy: 0.7845063751548113
Energy: 0.662239937515179
Energy: 0.7687344041591803
Energy: 0.762788693885038
Energy: 0.7308218852877658
Energy: 0.6974308659925389
Energy: 0.6887210644052302
Energy: 0.6627354814399371
Energy: 0.9115947208940437
Energy: 0.6654115464642636
Energy: 0.6620223237814008
Energy: 0.785349638853426
Energy: 0.6664965433101072
Energy: 0.7578356240821991
Energy: 0.7870430996341067
Energy: 0.7593553424556225
Energy: 0.7304093582411054
Energy: 0.7557150708196373
Energy: 0.7593559931610716
Energy: 0.6650503772848062
Energy: 0.6178019486227065
Energy: 0.7782913602186158
Energy: 0.8406115580529254
Energy: 0.6702275766915359
Energy: 0.7765309061074168
Energy: 0.7033670845265775
Energy: 0.6216974536602011
Energy: 0.6718219697086777
Energy: 0.6685887205756184
Energy: 0.6235168382969862
Energy: 0.7928971680552388
Energy: 0.7434016158602798
Energy: 0.9112260720309457
Energy: 0.7113922756790588
Energy: 0.7328146829204989
Energy: 0.7864305500937687
Energy: 0.6173139639806098
Energy: 0.7635569472065691
Energy: 0.7841624796090081
Energy: 0.6255474975617891
Energy: 0.7039455989617885
Energy: 0.7853745179735432
Energy: 0.6255161800629769
Energy: 0.7043577863731199
Energy: 0.6757152790788025
Energy: 0.665597832198517
Energy: 0.6641433324503858
Energy: 0.6756762576369825
Energy: 0.6649449989386405
Energy: 0.6865388133634986
Energy: 0.5911772097125816
Energy: 0.6639167682334799
Energy: 0.6631662863013398
Energy: 0.619585093969857
Energy: 0.6624619375880223
Energy: 0.6191980786303845
Energy: 0.5981810167825266
Energy: 0.6702361765607829
Energy: 0.6607318916665784
Energy: 0.5913101682771604
Energy: 0.6648860054892868
Energy: 0.660308801526657
Energy: 0.8305724483345915
Energy: 0.6787473282629964
Energy: 0.6953717606145283
Energy: 0.6132688120454309
Energy: 0.6621330577747104
Energy: 0.6968966967824305
Energy: 0.6044690796644431
Energy: 0.6877227458017827
Energy: 0.6449477856972764
Energy: 0.6045511434449383
Energy: 0.6800156008908603
Energy: 0.60721023216502
Energy: 0.6120779317815183
Energy: 0.6777607926063577
Energy: 0.6767810229252039
Energy: 0.6137257943962336
Energy: 0.6757423839575183
Energy: 0.6483935975531263
Energy: 0.6058739390173767
Energy: 0.6764137127625257
Energy: 0.6836160598288704
Energy: 0.6055355470865085
Energy: 0.6746111162415214
Energy: 0.6831320266332056
Energy: 0.617765283657285
Energy: 0.6127148776519705
Energy: 0.6047788353088717
Energy: 0.619234480766002
Energy: 0.6069636124713722
Energy: 0.6045421352600455
Energy: 0.6210714341040129
Energy: 0.6525222762709537
Energy: 0.6571385706582866
Energy: 0.6670113897089411
Energy: 0.6262225448992554
Energy: 0.656211353551713
Energy: 0.6699121102441951
Energy: 0.653600063829696
Energy: 0.6564968941595817
Energy: 0.6715366553206412
Energy: 0.6516143109692563
Energy: 0.6761263979485586
Energy: 0.6610840211573091
Energy: 0.6495502255965784
Energy: 0.6621858632184546
Energy: 0.661147004511058
Energy: 0.6702439232087992
Energy: 0.661539289688255
Energy: 0.8457095879537441
Energy: 0.6857021838234582
Energy: 0.6853788556241227
Energy: 0.6683767657482056
Energy: 0.6753125839267355
Energy: 0.6632722686313739
Energy: 0.6136261909686133
Energy: 0.6640322460127251
Energy: 0.6632688268609668
Energy: 0.6738575899610357
Energy: 0.6629724713540515
Energy: 0.6868168963309906
Energy: 0.605010782311459
Energy: 0.7758034064765456
Energy: 0.6632843473566408
Energy: 0.6659720870393918
Energy: 0.7948179922503129
Energy: 0.6636244869134174
Energy: 0.661771646746716
Energy: 0.7611394081409348
Energy: 0.7636615992289162
Energy: 0.673985032122884
Energy: 0.787650186194532
Energy: 0.7280994831762668
Energy: 0.878018516951622
Energy: 0.6639772870492769
Energy: 0.7619347296680342
Energy: 0.7942110583973832
Energy: 0.6623763748344825
Energy: 0.7618438254247961
Energy: 0.9110851138717551
Energy: 0.7302697621813693
Energy: 0.67084416971508
Energy: 0.7922243555515427
Energy: 0.6731171538651409
Energy: 0.755603980511789
Energy: 0.6234469174203785
Energy: 0.7929893311099317
Energy: 0.7878201848668285
Energy: 0.6248352993582039
Energy: 0.7928158129325263
Energy: 0.714193276793729

minimum gb energy = 0.5906440414559978 eV
minimum distance =  2.55281752392098 Angstroms
sigma value = 57


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

Energy: 1.0747929421438058
Energy: 0.7975067203895598
Energy: 0.7461638576238826
Energy: 0.6512113550394528
Energy: 1.0020474110150022
Energy: 0.7455864401149518
Energy: 0.7075015410483129
Energy: 0.7132849479779272
Energy: 0.6736869694988059
Energy: 0.7525591705943315
Energy: 0.672191427300253
Energy: 0.7237676385838813
Energy: 0.8789923204477256
Energy: 0.6458875127219807
Energy: 0.635157165202523
Energy: 0.7656963210814689
Energy: 0.6446170044495275
Energy: 0.7065087253506622
Energy: 0.754959171613175
Energy: 0.6345407182684578
Energy: 0.7060112874944702
Energy: 0.6689904430328504
Energy: 0.6442282388801515
Energy: 0.7059892946679441
Energy: 0.6543820550997503
Energy: 0.6719437204257208
Energy: 0.670202105530729
Energy: 0.654271165337061
Energy: 0.6671410555807019
Energy: 0.678329213703877
Energy: 0.6128676395378828
Energy: 0.6642000085892596
Energy: 0.6219022850360287
Energy: 0.6178784053004877
Energy: 0.6635044808990163
Energy: 0.6366988530420447
Energy: 0.5990055296224541
Energy: 0.6724046910355425
Energy: 0.6786684212695415
Energy: 0.6527894009141467
Energy: 0.6677010808210362
Energy: 0.6507969031164874
Energy: 0.707248362969596
Energy: 0.6459396996385063
Energy: 0.6464654468992458
Energy: 0.6045778212049642
Energy: 0.6471329375649394
Energy: 0.6026646642799806
Energy: 0.6034886632225024
Energy: 0.6011523431011452
Energy: 0.5979056270491009
Energy: 0.6041811794754811
Energy: 0.6059664898113789
Energy: 0.5979056112187413
Energy: 0.5992029861100665
Energy: 0.6527273644931223
Energy: 0.6528483770712625
Energy: 0.5984052608693237
Energy: 0.5708750497384114
Energy: 0.6543634841074747
Energy: 0.5764341688939787
Energy: 0.5682883131367161
Energy: 0.5690629257458707
Energy: 0.655329436628774
Energy: 0.5679441889331944
Energy: 0.6504553966241161
Energy: 0.6038776953638563
Energy: 0.5797488897672949
Energy: 0.5686971506372015
Energy: 0.6295856842797303
Energy: 0.5743937320807976
Energy: 0.6109082653581048
Energy: 0.5698062791211108
Energy: 0.6421671547827089
Energy: 0.6419926276037965
Energy: 0.6410807585909107
Energy: 0.622802935594759
Energy: 0.641597736132541
Energy: 0.5704382804734008
Energy: 0.6379003074394932
Energy: 0.5695579042904199
Energy: 0.5726509485389659
Energy: 0.5713388118708861
Energy: 0.5685767370584658
Energy: 0.5690016641347815
Energy: 0.6455528901594045
Energy: 0.6429000817162092
Energy: 0.5694691196612383
Energy: 0.6498756388365124
Energy: 0.6575980709882587
Energy: 0.6149357984876898
Energy: 0.5982662438134926
Energy: 0.6575774687468546
Energy: 0.5851902306423271
Energy: 0.6119965621499188
Energy: 0.6538088710251486
Energy: 0.5715007961890356
Energy: 0.612975788238858
Energy: 0.5977693597531077
Energy: 0.6511266219782924
Energy: 0.6083811407828809
Energy: 0.6005359759152117
Energy: 0.5727301743529543
Energy: 0.6026094135289041
Energy: 0.6402210714033177
Energy: 0.6144574801208782
Energy: 0.6069646128965964
Energy: 0.6692336140581447
Energy: 0.6645060784630161
Energy: 0.6445539385819636
Energy: 0.6438037182152911
Energy: 0.6662902956858867
Energy: 0.6127006210425023
Energy: 0.6633490549905673
Energy: 0.6653447912382374
Energy: 0.6010594442842604
Energy: 0.6013541367889013
Energy: 0.6627278726971567
Energy: 0.6342951411844014
Energy: 0.6712830322142441
Energy: 0.8263166485448674
Energy: 0.6751354035552045
Energy: 0.6774295254760828
Energy: 0.6667960157002873
Energy: 0.6967176406640272
Energy: 0.6821846703317205
Energy: 0.5691909097085742
Energy: 0.7641064544907602
Energy: 0.6637550480679307
Energy: 0.6467216759441411
Energy: 0.7696340557480486
Energy: 0.663940717888447
Energy: 0.6052175135511236
Energy: 0.7855704091811939
Energy: 0.7497589571648402
Energy: 0.6076577900868448
Energy: 0.781970023680972
Energy: 0.7492677020526608
Energy: 0.821646078310033
Energy: 0.6682603054863664
Energy: 0.6782456559400823
Energy: 0.6738745063159831
Energy: 0.6191188051908353
Energy: 0.678135802904178
Energy: 0.8887133374417904
Energy: 0.6699222398245284
Energy: 0.6681426290957294
Energy: 0.7506235907964637
Energy: 0.6717139215199457
Energy: 0.7493955979915633
Energy: 0.8153269141824415
Energy: 0.7570667985557535
Energy: 0.760813918330521
Energy: 0.7495780128303112
Energy: 0.7515356416330179
Energy: 0.7280300109028127
Energy: 0.5756263813927932
Energy: 0.7694878449633288
Energy: 0.7093814164754505
Energy: 0.6476545473396358
Energy: 0.7789724600897685
Energy: 0.70815720472314

minimum gb energy = 0.5679441889331944 eV
minimum distance =  2.53584434677962 Angstroms
sigma value = 43


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

Energy: 1.0048962345323686
Energy: 0.706605214066791
Energy: 0.6934565603706909
Energy: 0.6160858942301937
Energy: 0.7206046531183351
Energy: 0.6590400078251544
Energy: 0.7203781717870605
Energy: 0.6244129669137205
Energy: 0.6300949000388787
Energy: 0.6317401679291105
Energy: 0.6241148108996288
Energy: 0.6379577447258686
Energy: 0.7684947803965614
Energy: 0.5856253289640959
Energy: 0.6040645988196207
Energy: 0.6820475763682035
Energy: 0.5841496911458847
Energy: 0.5855462827349546
Energy: 0.6900928517062789
Energy: 0.6044286378581747
Energy: 0.6023489902326837
Energy: 0.6237062187439351
Energy: 0.5700990149011919
Energy: 0.6551876945715328
Energy: 0.5392754883785682
Energy: 0.6216710067300855
Energy: 0.6249776262077812
Energy: 0.5394414058527309
Energy: 0.6241305875628874
Energy: 0.6396805795840915
Energy: 0.4922309729657065
Energy: 0.620938597687367
Energy: 0.6033101099820013
Energy: 0.5625041209732157
Energy: 0.6204092010566105
Energy: 0.5843076857911501
Energy: 0.7078790760691163
Energy: 0.6208952179483369
Energy: 0.6223665389185987
Energy: 0.5732704136780293
Energy: 0.6258565354881243
Energy: 0.5907473716541123
Energy: 0.7045871629149583
Energy: 0.5620561502688676
Energy: 0.5852409649217353
Energy: 0.563282122436857
Energy: 0.5620270174164888
Energy: 0.5847980936705337
Energy: 0.5645147616334677
Energy: 0.5655978914133672
Energy: 0.562225517883538
Energy: 0.5664221417395733
Energy: 0.5172754426731004
Energy: 0.5625039090881672
Energy: 0.5375962294164174
Energy: 0.5820231678459875
Energy: 0.5818568346362084
Energy: 0.5478270685613024
Energy: 0.5352427677778462
Energy: 0.577703740863608
Energy: 0.48673300606373454
Energy: 0.5245496749599768
Energy: 0.5243918299530674
Energy: 0.5501033393386557
Energy: 0.5241918977474963
Energy: 0.5619698166004524
Energy: 0.5659027155353434
Energy: 0.5242131522696356
Energy: 0.5246891996527288
Energy: 0.545753372804331
Energy: 0.5243244009614499
Energy: 0.5637682166252836
Energy: 0.5022180368853206
Energy: 0.551727103208303
Energy: 0.5599123212258034
Energy: 0.5619932769932033
Energy: 0.550495394354866
Energy: 0.5633363725120676
Energy: 0.5010405559404619
Energy: 0.5023297561163916
Energy: 0.5014747298072485
Energy: 0.5028500483498407
Energy: 0.49098944991954996
Energy: 0.5009214913373105
Energy: 0.5013638406561357
Energy: 0.549625748298581
Energy: 0.5539966278590798
Energy: 0.5008831784665326
Energy: 0.499162307856977
Energy: 0.5525156265152582
Energy: 0.4933818896855717
Energy: 0.4903541412114535
Energy: 0.4987498276802067
Energy: 0.5518449397390723
Energy: 0.4900147258268564
Energy: 0.5510363917349286
Energy: 0.5041266816142951
Energy: 0.4899081376690343
Energy: 0.49066903517121246
Energy: 0.5500796698459011
Energy: 0.4897768452429751
Energy: 0.5494710783609765
Energy: 0.49040422302812964
Energy: 0.5601458865959957
Energy: 0.5496259245047709
Energy: 0.4902049745858754
Energy: 0.5389687366227806
Energy: 0.5497187762169025
Energy: 0.49037310522637584
Energy: 0.5290584038154487
Energy: 0.49034243688384765
Energy: 0.49131373937565614
Energy: 0.5415837388690962
Energy: 0.48966954407035346
Energy: 0.4898895412355898
Energy: 0.550852579323624
Energy: 0.5538982228188841
Energy: 0.490307740669607
Energy: 0.5507561253380271
Energy: 0.5562492303146527
Energy: 0.5271343747668396
Energy: 0.5009450843792156
Energy: 0.5014444711272141
Energy: 0.5558302345197793
Energy: 0.500842152606717
Energy: 0.5542702845334242
Energy: 0.4915199540294094
Energy: 0.5013430409185003
Energy: 0.5018223484728763
Energy: 0.5594309694917314
Energy: 0.5011702858800436
Energy: 0.5568059824051226
Energy: 0.5630954375668181
Energy: 0.5362619349716478
Energy: 0.5562634344817743
Energy: 0.5241298085429166
Energy: 0.5028839582996413
Energy: 0.5558504575771251
Energy: 0.5240449768564246
Energy: 0.5632812977182359
Energy: 0.5243243188314035
Energy: 0.5258947686006045
Energy: 0.5109216985487844
Energy: 0.5242898197870871
Energy: 0.6813832172597318
Energy: 0.5574221356001563
Energy: 0.5750319559107072
Energy: 0.5540660400532403
Energy: 0.5568439541242801
Energy: 0.576942608163658
Energy: 0.6403381833164267
Energy: 0.5625192839695674
Energy: 0.5625712367283284
Energy: 0.5338012388233238
Energy: 0.5628534127471602
Energy: 0.5741834438472041
Energy: 0.4896191453877672
Energy: 0.5622577377920314
Energy: 0.5707771258620737
Energy: 0.5562806993348659
Energy: 0.5620781044152037
Energy: 0.5733698537962943
Energy: 0.5588340130686548
Energy: 0.5893224844135676
Energy: 0.5888380538394591
Energy: 0.5276761178715715
Energy: 0.5647636299349834
Energy: 0.6006455779940904
Energy: 0.6229715989984508
Energy: 0.5683666874003542
Energy: 0.6209215668060912
Energy: 0.6246898741572476
Energy: 0.524460367015589
Energy: 0.6207036049896885
Energy: 0.7401706844003463
Energy: 0.5741165722284173
Energy: 0.6022297076159694
Energy: 0.6216779585654785
Energy: 0.5734188374942107
Energy: 0.5871258881635352
Energy: 0.7320840184331405
Energy: 0.6240887128346309
Energy: 0.6373910211726332
Energy: 0.6246704430304265
Energy: 0.6239263621005012
Energy: 0.6320428141987002
Energy: 0.5011276329661192
Energy: 0.6828945159478996
Energy: 0.6200993098141208
Energy: 0.5746101373695073
Energy: 0.6826438006784076
Energy: 0.6024656719738272
Energy: 0.5625360082735253
Energy: 0.6731850130146447
Energy: 0.6731174907787278
Energy: 0.5828941511215544
Energy: 0.6780190354121612
Energy: 0.6395558679387342
Energy: 0.7381820552921401
Energy: 0.6261816615011453
Energy: 0.6208815665061709
Energy: 0.6239245978506844
Energy: 0.5402011279267097
Energy: 0.6839697203189592
Energy: 0.7677731938229759
Energy: 0.589791416427935
Energy: 0.6388915197040255
Energy: 0.6994752253215449
Energy: 0.5895773833120319
Energy: 0.6216926173729068
Energy: 0.7217525353186143
Energy: 0.6712311037551736
Energy: 0.6738313953942011
Energy: 0.6315368862640507
Energy: 0.6776741129430155
Energy: 0.6387739094993012

minimum gb energy = 0.48673300606373454 eV
minimum distance =  2.57349453891067 Angstroms
sigma value = 81


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

Energy: 0.319186797463973
Energy: 0.3514076783647687
Energy: 0.06272213543120997
Energy: 0.06546020702782841
Energy: 0.5212905560182014
Energy: 0.3188432001712521
Energy: 0.35133178011478094
Energy: 0.5112618556890952
Energy: 0.5628696516050317
Energy: 0.5971549872575113
Energy: 0.5117769348300389
Energy: 0.5321049866497014
Energy: 0.5812876745275224
Energy: 0.06322776814527599
Energy: 0.0629604564439491
Energy: 0.5942498478862965
Energy: 0.06297977832416544
Energy: 0.10954520851994096
Energy: 0.5672449794226034
Energy: 0.06285916503057046
Energy: 0.06361486377322523
Energy: 0.5840385878104306
Energy: 0.06324736297830812
Energy: 0.10677071055627117
Energy: 0.106433265444286
Energy: 0.616771906738549
Energy: 0.6182315629181286
Energy: 0.10732529068590767
Energy: 0.6185075659449668
Energy: 0.6174478790958725
Energy: 0.06374613266864315
Energy: 0.575351093964425
Energy: 0.06294548141458493
Energy: 0.06576286542031166
Energy: 0.5766581262574967
Energy: 0.06311426550867487
Energy: 0.6021869105489573
Energy: 0.5115999679244153
Energy: 0.5333824944628104
Energy: 0.6245811930960165
Energy: 0.511161213775497
Energy: 0.5749014311839011
Energy: 0.5997100746888316
Energy: 0.06297908435989127
Energy: 0.06362278995231269
Energy: 0.6250082258541485
Energy: 0.06269031889647247
Energy: 0.0633371899719229
Energy: 0.5518867243828945
Energy: 0.06265974296005025
Energy: 0.10727822322397527
Energy: 0.5618524161222196
Energy: 0.06286027610721809
Energy: 0.10800774416867882
Energy: 0.31957580651999445
Energy: 0.5477074480729965
Energy: 0.5503504059400988
Energy: 0.06355194121268583
Energy: 0.5443477322153706
Energy: 0.5597129093075598

minimum gb energy = 0.06265974296005025 eV
minimum distance =  2.62296114671384 Angstroms
sigma value = 3


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

Energy: 0.6314329774914015
Energy: 0.6699478930111096
Energy: 0.6546591849419657
Energy: 0.5321307704469306
Energy: 0.6100629148867903
Energy: 0.5679299284825547
Energy: 0.6283447553406226
Energy: 0.5609425035635753
Energy: 0.5597412926395623
Energy: 0.6216151839246795
Energy: 0.6040553412750423
Energy: 0.6024016656855787
Energy: 0.6749143782923944
Energy: 0.5487317714969745
Energy: 0.5856915731386583
Energy: 0.6340154954995582
Energy: 0.5963413585639492
Energy: 0.6186673026350096
Energy: 0.610523015602032
Energy: 0.5624078050265723
Energy: 0.5853972261583746
Energy: 0.6055888834875819
Energy: 0.5476786626852405
Energy: 0.6000710287287782
Energy: 0.5532263609729154
Energy: 0.5950242799637838
Energy: 0.5592553146163345
Energy: 0.5536353713440275
Energy: 0.638904490644091
Energy: 0.5949250075721976
Energy: 0.5106048678735184
Energy: 0.5902581652808497
Energy: 0.5963664390305299
Energy: 0.5138405945640105
Energy: 0.5868303098345161
Energy: 0.5496259104827877
Energy: 0.6084825078705709
Energy: 0.5644177162363896
Energy: 0.5631401726713248
Energy: 0.6269825303889416
Energy: 0.5642879765700848
Energy: 0.6369593233306665
Energy: 0.6048698157678837
Energy: 0.5139742946067368
Energy: 0.5158010012321448
Energy: 0.6048844406148689
Energy: 0.4858543610971355
Energy: 0.5558423842889598
Energy: 0.5206017654784133
Energy: 0.5554730684713732
Energy: 0.5624316791326092
Energy: 0.5191955620679873
Energy: 0.5141822217035488
Energy: 0.5631012805907277
Energy: 0.5183289487072432
Energy: 0.5607988659002084
Energy: 0.5603628381336748
Energy: 0.5183125842605256
Energy: 0.5640599120291875
Energy: 0.5635002257598727
Energy: 0.4870705721688123
Energy: 0.563897712074154
Energy: 0.5639288533840013
Energy: 0.48881075708116306
Energy: 0.490694372773372
Energy: 0.5362357614208222
Energy: 0.5229185060088917
Energy: 0.5617820888437696
Energy: 0.56215879615269
Energy: 0.517243886153463
Energy: 0.5196955262618441
Energy: 0.5185097765092211
Energy: 0.5192949103640834
Energy: 0.47113539750388933
Energy: 0.4900490210478305
Energy: 0.5196718084691851
Energy: 0.47340157860157756
Energy: 0.5201315922211177
Energy: 0.47954425418627056
Energy: 0.49035656478736867
Energy: 0.5197387720203042
Energy: 0.5214936172595258
Energy: 0.4896880347103841
Energy: 0.5208083381605702
Energy: 0.47549754160140756
Energy: 0.4881375843019874
Energy: 0.48825567602299214
Energy: 0.47765947319450686
Energy: 0.49351206883748944
Energy: 0.4894645332145531
Energy: 0.47769020090202857
Energy: 0.49104306315179846
Energy: 0.48988344546256873
Energy: 0.47759690693740625
Energy: 0.47536723801757863
Energy: 0.47591690118751884
Energy: 0.4799291001954102
Energy: 0.49048602044334455
Energy: 0.4752019748013239
Energy: 0.47381610329825924
Energy: 0.490292496742429
Energy: 0.47456794322802204
Energy: 0.47440833474057176
Energy: 0.47524780741680467
Energy: 0.4753530542426441
Energy: 0.47483037354576063
Energy: 0.47414286798821437
Energy: 0.476212682518793
Energy: 0.4891403607266403
Energy: 0.4762572357293188
Energy: 0.5135401790969153
Energy: 0.4768630957282385
Energy: 0.47554334523269925
Energy: 0.47527419486836575
Energy: 0.47838021257588553
Energy: 0.473434211400943
Energy: 0.473502219829015
Energy: 0.4791260478492089
Energy: 0.47908891811491355
Energy: 0.47473171576720186
Energy: 0.474696666386865
Energy: 0.47555540303663896
Energy: 0.4748626317470418
Energy: 0.4887107913687495
Energy: 0.47409226984706365
Energy: 0.48999262805647276
Energy: 0.49541989423617266
Energy: 0.4757130309272402
Energy: 0.49028468939116365
Energy: 0.4892964798775157
Energy: 0.47477685790839697
Energy: 0.4894296335234942
Energy: 0.4885943990457872
Energy: 0.5198835062535784
Energy: 0.5200886971887282
Energy: 0.48872681063843015
Energy: 0.5194501549379336
Energy: 0.5196526763776447
Energy: 0.4779676505747355
Energy: 0.5213071627744614
Energy: 0.5214649565093311
Energy: 0.4765907583816916
Energy: 0.5197245480526906
Energy: 0.5000124713846464
Energy: 0.492845528195726
Energy: 0.5173669826981108
Energy: 0.5178059571716263
Energy: 0.49222352528772195
Energy: 0.5224708388570796
Energy: 0.5185961255985974
Energy: 0.4931579122445457
Energy: 0.498342516081845
Energy: 0.49998331016774167
Energy: 0.49155302545666424
Energy: 0.47317797542922124
Energy: 0.5637279878072333
Energy: 0.5644636351479215
Energy: 0.5000827938850207
Energy: 0.5365028301855821
Energy: 0.5631876366491112
Energy: 0.5012144529719508
Energy: 0.5611003806357708
Energy: 0.5330787208072911
Energy: 0.5603283987472427
Energy: 0.5604216344327384
Energy: 0.5331856792803655
Energy: 0.5613860161861111
Energy: 0.5606278169170887
Energy: 0.4956382708562243
Energy: 0.6085695402198461
Energy: 0.5851719726317652
Energy: 0.49788589205353917
Energy: 0.6063139620846695
Energy: 0.5313638075065418
Energy: 0.5657871174659762
Energy: 0.559862774734413
Energy: 0.5610594264786092
Energy: 0.5604595895252563
Energy: 0.6265491304435521
Energy: 0.637265157053181
Energy: 0.5596635352581557
Energy: 0.5292818925479534
Energy: 0.5316232081136988
Energy: 0.559178203625154
Energy: 0.49544336470525724
Energy: 0.5766754415114579
Energy: 0.6776969846704926
Energy: 0.574415497533886
Energy: 0.5345333347586668
Energy: 0.6307369334847877
Energy: 0.5293137455547307
Energy: 0.5605579998659678
Energy: 0.5726931520645494
Energy: 0.6216155111070968
Energy: 0.5617578052340354
Energy: 0.5729762600691788
Energy: 0.6123196331116553
Energy: 0.5833078124432872

minimum gb energy = 0.47113539750388933 eV
minimum distance =  2.52191848099607 Angstroms
sigma value = 67


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

Energy: 0.6797640092500773
Energy: 0.7848200695172416
Energy: 0.7736047120570564
Energy: 0.5959857904176215
Energy: 0.714002849859109
Energy: 0.7742883207254911
Energy: 0.7340425146197822
Energy: 0.6230621361324439
Energy: 0.626573704821135
Energy: 0.6920671418049303
Energy: 0.7627518299357859
Energy: 0.62670804639732
Energy: 0.7606958574411365
Energy: 0.6241869710137727
Energy: 0.6645897492165408
Energy: 0.6884284730365434
Energy: 0.618407511361661
Energy: 0.6798823415821705
Energy: 0.6911576090662228
Energy: 0.625594454126499
Energy: 0.670607467044781
Energy: 0.6919144066459683
Energy: 0.6099829795149775
Energy: 0.6785629807209878
Energy: 0.6866842745157733
Energy: 0.6241588420996365
Energy: 0.6256583790608781
Energy: 0.6284359428222062
Energy: 0.7699658684114499
Energy: 0.6328336225214184
Energy: 0.5796201853834273
Energy: 0.6200878838153797
Energy: 0.6793097361795648
Energy: 0.6230034799661319
Energy: 0.6254363529675218
Energy: 0.6170428617462802
Energy: 0.6957335528947252
Energy: 0.6268462454603374
Energy: 0.6211560764729822
Energy: 0.7033195116787071
Energy: 0.624157672734096
Energy: 0.6282188060240589
Energy: 0.6945318365398978
Energy: 0.5877606774605033
Energy: 0.5792453927741007
Energy: 0.695485585275045
Energy: 0.5837254384049161
Energy: 0.6190748546218727
Energy: 0.5887627696380876
Energy: 0.634826512895837
Energy: 0.6122137343526918
Energy: 0.6253203841952478
Energy: 0.6197598745811714
Energy: 0.6299563824534503
Energy: 0.5821272838222546
Energy: 0.6259818234177832
Energy: 0.620513750082034
Energy: 0.5820122783094535
Energy: 0.6215604330054461
Energy: 0.6182228147759029
Energy: 0.5812672690267863
Energy: 0.6210715774922014
Energy: 0.5833813492081583
Energy: 0.5854326846723111
Energy: 0.6181654228561414
Energy: 0.5816228752974844
Energy: 0.5884030002183321
Energy: 0.6277996092028857
Energy: 0.6122668186424529
Energy: 0.5893285393413479
Energy: 0.6234685356682472
Energy: 0.581576373590759
Energy: 0.5921990030013153
Energy: 0.5909422809428706
Energy: 0.5829894867828397
Energy: 0.5915086673959528
Energy: 0.5857057513154624
Energy: 0.5817713185791266
Energy: 0.6178801432334686
Energy: 0.606591553050006
Energy: 0.5934040238442362
Energy: 0.5843735739538729
Energy: 0.5817526300790609
Energy: 0.5819722886015939
Energy: 0.6477199204046742
Energy: 0.5886616017213484
Energy: 0.5810420414698029
Energy: 0.6484233235694852
Energy: 0.5833434917012057
Energy: 0.581611792849575
Energy: 0.6453453286327541
Energy: 0.5918033080851639
Energy: 0.5824813294777451
Energy: 0.6227408359791105
Energy: 0.5806779887282676
Energy: 0.6207862808252127
Energy: 0.6264763422725705
Energy: 0.5795178716451367
Energy: 0.5705836052823942
Energy: 0.6276879450588372
Energy: 0.5751979503540096
Energy: 0.616761103906187
Energy: 0.619840510348724
Energy: 0.6277152402991967
Energy: 0.623770376292947
Energy: 0.6199185791257543
Energy: 0.6243131606887554
Energy: 0.619463664009622
Energy: 0.5704900256842572
Energy: 0.5846004646255188
Energy: 0.5904975743427702
Energy: 0.5965371572733412
Energy: 0.6587614510119604
Energy: 0.5892174154034635
Energy: 0.6200230727099232
Energy: 0.7024094301370926
Energy: 0.6254230240635676
Energy: 0.6201287527334788
Energy: 0.6976857242438784
Energy: 0.6265575503157027
Energy: 0.6272449080147117
Energy: 0.6558518779072557
Energy: 0.6476513780405402
Energy: 0.6278379624335313
Energy: 0.5950281949220779
Energy: 0.5913071854755156
Energy: 0.7606879669599582
Energy: 0.5968487044629587
Energy: 0.6466312360268661
Energy: 0.6896959526296274
Energy: 0.5931010717013837
Energy: 0.6581921906914142
Energy: 0.7338118459013372
Energy: 0.7028067779300066
Energy: 0.6290671552208414
Energy: 0.7501166503906246
Energy: 0.6925739176637552
Energy: 0.6217231524046898

minimum gb energy = 0.5704900256842572 eV
minimum distance =  2.50193274412726 Angstroms
sigma value = 33


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

Energy: 1.120341495694042
Energy: 0.8725790084209326
Energy: 0.8783746779825674
Energy: 0.677067375569091
Energy: 0.7418835064219153
Energy: 0.6307301273383535
Energy: 0.7932463865724434
Energy: 0.6598702156937393
Energy: 0.6570477599677066
Energy: 0.7309215152820735
Energy: 0.7286318860575148
Energy: 0.6990231847954927
Energy: 0.8360757499469622
Energy: 0.6525470672874204
Energy: 0.6515885247822364
Energy: 0.7243186503675471
Energy: 0.648704415661695
Energy: 0.6635285400550285
Energy: 0.7206524093627971
Energy: 0.7259943904310406
Energy: 0.6924410763388289
Energy: 0.7218679953270681
Energy: 0.7295692982844001
Energy: 0.6631455120766322
Energy: 0.7202658361985964
Energy: 0.8147412153974491
Energy: 0.6568574844819113
Energy: 0.7272397841526894
Energy: 0.7302891094901369
Energy: 0.6977708578188054
Energy: 0.6471653214512444
Energy: 0.6681812784920568
Energy: 0.6504541557665094
Energy: 0.6534299878581389
Energy: 0.6507926752896772
Energy: 0.6470955054371726
Energy: 0.7203255009113048
Energy: 0.6529008935452628
Energy: 0.7074284225406902
Energy: 0.7257554578830872
Energy: 0.6530329781646989
Energy: 0.6590498034043148
Energy: 0.7198614568894842
Energy: 0.6504338898125931
Energy: 0.6511189498474168
Energy: 0.7199725931939066
Energy: 0.6556194456013511
Energy: 0.6555493509892271
Energy: 0.7100469506367255
Energy: 0.7366692000097989
Energy: 0.6510467590303893
Energy: 0.6609199030661602
Energy: 0.6493105740276477
Energy: 0.6596328455892119
Energy: 0.7070162904448761
Energy: 0.650556744104879
Energy: 0.64999426399011
Energy: 0.6789582538975638
Energy: 0.652702392000867
Energy: 0.6606742504382784
Energy: 0.7001684910849898
Energy: 0.6662415284607304
Energy: 0.6551315026787818
Energy: 0.6532060686273897
Energy: 0.6518260679653507
Energy: 0.6594221989850098
Energy: 0.649997605718997
Energy: 0.6505171929569228
Energy: 0.6568936319669202
Energy: 0.6500936992925141
Energy: 0.6718401540565304
Energy: 0.6678345157990838
Energy: 0.6511219026985039
Energy: 0.6557428293502122
Energy: 0.6517541601549042
Energy: 0.6509229110225002
Energy: 0.6607808316036787
Energy: 0.6501875495996949
Energy: 0.6301515058271695
Energy: 0.6577090196395954
Energy: 0.6561487889028388
Energy: 0.6336175089179841
Energy: 0.7028127135058131
Energy: 0.6303220969393785
Energy: 0.63066567813121
Energy: 0.7290600297917744
Energy: 0.6564738829709824
Energy: 0.6301805801193777
Energy: 0.724943801496838
Energy: 0.6666546130636443
Energy: 0.658590549581775
Energy: 0.6659215195764027
Energy: 0.667447723309543
Energy: 0.6610749474245999
Energy: 0.665676108448639
Energy: 0.656645752889612
Energy: 0.8311524637736943
Energy: 0.6664095164085222
Energy: 0.666726811094308
Energy: 0.7234539997798928
Energy: 0.6713597179065751
Energy: 0.6303530733735196
Energy: 0.8156524771685443
Energy: 0.7288979620488081
Energy: 0.6595999729164626
Energy: 0.7298633051868652
Energy: 0.726327703605974
Energy: 0.6513713772441445
Energy: 0.6638231275647901
Energy: 0.7269302240734037
Energy: 0.6681908382419575
Energy: 0.663385427041233
Energy: 0.7248210424960576
Energy: 0.6640049985462
Energy: 0.764044759975943
Energy: 0.8106455669197121
Energy: 0.6538410145481063
Energy: 0.7794260992310317
Energy: 0.7260008999819905
Energy: 0.6983389550714139
Energy: 0.8341536495933571
Energy: 0.6490973743510081
Energy: 0.6878600024101544
Energy: 0.7256712430514213
Energy: 0.7311637814679851
Energy: 0.6510059644926665
Energy: 0.7225591809674062
Energy: 0.7259914378087544
Energy: 0.6520744724138035
Energy: 0.7220172619783872
Energy: 0.7236649827729471
Energy: 0.6470331970077363
Energy: 0.7205933129725488
Energy: 0.8138210261777066
Energy: 0.6558327882030869
Energy: 0.7267964509481528
Energy: 0.7296029162167883
Energy: 0.6988993114966894
Energy: 0.6459541548852507
Energy: 0.6516947457716259
Energy: 0.6672911093154771
Energy: 0.6462936235274865
Energy: 0.6532948251053718
Energy: 0.6544400319850195
Energy: 0.7202275392199695
Energy: 0.652007953199915
Energy: 0.6525152580342016
Energy: 0.7262039102468326
Energy: 0.6527623196312067
Energy: 0.6591839476249006
Energy: 0.7201611998402211
Energy: 0.6504644366590913
Energy: 0.650954262895826
Energy: 0.720053378166799
Energy: 0.6545893479301804
Energy: 0.6551986563726423
Energy: 0.7100081672271433
Energy: 0.6505983266643693
Energy: 0.6507723813895703
Energy: 0.6579539684736874
Energy: 0.6676667989880624
Energy: 0.65749560034421
Energy: 0.7098743478696893
Energy: 0.650721469848642
Energy: 0.6499609261183973
Energy: 0.6571620257301883
Energy: 0.6531449653515932
Energy: 0.6650481020955358
Energy: 0.6993478347879662
Energy: 0.6512004730514258
Energy: 0.6554799922537167
Energy: 0.6547693379890247
Energy: 0.6496230547067059
Energy: 0.6656235537442184
Energy: 0.6498314898872282
Energy: 0.6505047099381267
Energy: 0.6614646585334147
Energy: 0.6500157700628642
Energy: 0.6660980067525993
Energy: 0.6500752028713609
Energy: 0.6551107385263566
Energy: 0.6561065975568767
Energy: 0.6667736402117346
Energy: 0.6504267573984309
Energy: 0.6585202900631097
Energy: 0.6503968356871241
Energy: 0.6300354487231544
Energy: 0.656057902112759
Energy: 0.656088165919726
Energy: 0.6325964466981203
Energy: 0.6804408731758598
Energy: 0.6302825352381428
Energy: 0.6303198326043205
Energy: 0.7301698721558254
Energy: 0.6559023718122875
Energy: 0.6303168209470458
Energy: 0.7255237522627669
Energy: 0.6672329321181633
Energy: 0.6591480075014573
Energy: 0.6683206876184192
Energy: 0.7253421691133436
Energy: 0.7212783824843616
Energy: 0.665759628270696
Energy: 0.6550707495813923
Energy: 0.8535927771895974
Energy: 0.6661418397677017
Energy: 0.6664792451219448
Energy: 0.7237027861766966
Energy: 0.6335949186141381
Energy: 0.630236923709061
Energy: 0.8143724244128108
Energy: 0.7264195445245308
Energy: 0.6510699772707579
Energy: 0.7291049395660608
Energy: 0.7281349615716416
Energy: 0.7164039618539431
Energy: 0.6638014264317448
Energy: 0.7255517805955151
Energy: 0.666329876953808
Energy: 0.6694642732507483
Energy: 0.7239258280549198
Energy: 0.6641209562538792

minimum gb energy = 0.6300354487231544 eV
minimum distance =  2.50751017128412 Angstroms
sigma value = 41


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

Energy: 1.0252522831606703
Energy: 0.7404708121427259
Energy: 0.7354076851906236
Energy: 0.7392429608696703
Energy: 0.8103646782166352
Energy: 0.7351366640819873
Energy: 0.8047511197095116
Energy: 0.746224027380434
Energy: 0.7432140418791814
Energy: 0.7764002559136474
Energy: 0.7663008981015378
Energy: 0.7421072703593435
Energy: 0.9020238863988731
Energy: 0.7428297893136878
Energy: 0.7390414445936345
Energy: 0.7677295489431509
Energy: 0.74651628199139
Energy: 0.7384501839817722
Energy: 0.7821149912527721
Energy: 0.7428575306749723
Energy: 0.7389663408183974
Energy: 0.7703104718973665
Energy: 0.7461015239906174
Energy: 0.7418809476086874
Energy: 0.7667004783857541
Energy: 0.7485467599870717
Energy: 0.7432357784266849
Energy: 0.7499778153226468
Energy: 0.7650785409284852
Energy: 0.7422348488575905
Energy: 0.7945493306385408
Energy: 0.7467157843592254
Energy: 0.7425148099934747
Energy: 0.7472039768060824
Energy: 0.7876967298807265
Energy: 0.7428178981030021
Energy: 0.7666340747835381
Energy: 0.7627776360183626
Energy: 0.7416324002363575
Energy: 0.7523340981502573
Energy: 0.7891794003960784
Energy: 0.7438514100670806
Energy: 0.7745876041931402
Energy: 0.7460475656820587
Energy: 0.742587426292472
Energy: 0.7758948985658672
Energy: 0.7503661861448067
Energy: 0.743150162805846
Energy: 0.8389166712640448
Energy: 0.7463939464257616
Energy: 0.742432655111941
Energy: 0.7210609993518173
Energy: 0.7672066241456129
Energy: 0.7421311205178411
Energy: 0.7978159890234036
Energy: 0.7473920298386809
Energy: 0.7425535838192044
Energy: 0.7506403679638006
Energy: 0.7674507538545994
Energy: 0.7412004211878136
Energy: 0.7865334180727258
Energy: 0.7461324732334037
Energy: 0.7593548384822629
Energy: 0.7489620754760138
Energy: 0.7202346976522906
Energy: 0.7432415542548315
Energy: 0.9093360932700029
Energy: 0.7190346555653359
Energy: 0.7201256259840512
Energy: 0.9092140159380981
Energy: 0.7195537430719297
Energy: 0.7213223170025855
Energy: 0.9043877646037846
Energy: 0.7641654529083712
Energy: 0.7569777897683766
Energy: 0.7702258331417517
Energy: 0.7465896564596649
Energy: 0.7589993187519074
Energy: 0.7186480716286818
Energy: 0.7530218875593396
Energy: 0.7195667507594369
Energy: 0.7238558363433604
Energy: 0.7682542036446502
Energy: 0.7203381551624602

minimum gb energy = 0.7186480716286818 eV
minimum distance =  2.52109766983484 Angstroms
sigma value = 11


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

Energy: 0.8451154112334334
Energy: 0.9503711745587758
Energy: 0.8629440183977042
Energy: 0.8709158115251323
Energy: 0.9598328193389303
Energy: 0.8790612591099188
Energy: 0.951649380079989
Energy: 0.8464774593459149
Energy: 0.8449717238200689
Energy: 0.8387831133197429
Energy: 0.8554601056640844
Energy: 0.8457574037947945
Energy: 0.9941056860843834
Energy: 0.836184424103331
Energy: 0.8351886258427398
Energy: 0.8397683500502611
Energy: 0.8504668562924564
Energy: 0.8370065576526164
Energy: 0.892714719623644
Energy: 0.8356793496854998
Energy: 0.8392325014651946
Energy: 0.8376540429973305
Energy: 0.8363103988622606
Energy: 0.8382241957355119
Energy: 0.8893024961404226
Energy: 0.8490828670118553
Energy: 0.8470641856391347
Energy: 0.8497519734146305
Energy: 0.8600750096725627
Energy: 0.8464774617348982
Energy: 0.8820737039583542
Energy: 0.8723561725895348
Energy: 0.8491707233284631
Energy: 0.8493297880687088
Energy: 0.8704743522319833
Energy: 0.8446826542996756
Energy: 0.8706373413609382
Energy: 0.8464501760326831
Energy: 0.8501990738620615
Energy: 0.8707075480555234
Energy: 0.846660967184065
Energy: 0.8501709835786551
Energy: 0.8667430148626005
Energy: 0.8463335809862145
Energy: 0.8459597003863805
Energy: 0.8545417640884494
Energy: 0.8498332902218931
Energy: 0.8481595524067886
Energy: 0.8422537389084234
Energy: 0.8380923172339486
Energy: 0.8375148118262231
Energy: 0.8291453861297579
Energy: 0.8386602541825592
Energy: 0.8428889682020494
Energy: 0.8698425383817202
Energy: 0.8379345939322119
Energy: 0.8373315357389156
Energy: 0.8295109897985533
Energy: 0.8383849528880334
Energy: 0.84272215910222
Energy: 0.8673823344025274
Energy: 0.8479846423772887
Energy: 0.8467410435509688
Energy: 0.8537152650861372
Energy: 0.8575362648138501
Energy: 0.8475367627775587
Energy: 0.8560830087900321
Energy: 0.8513312501803469
Energy: 0.8424352045099281
Energy: 0.8575697488630877
Energy: 0.8485409354351746
Energy: 0.8351133836534157
Energy: 0.8536908824428484
Energy: 0.8383612047737357
Energy: 0.8378512291958014
Energy: 0.8551184852977874
Energy: 0.8384639091924956
Energy: 0.8389950883810458
Energy: 0.8591315007610159
Energy: 0.8387999580920528
Energy: 0.8376750035434142
Energy: 0.8451977895297258
Energy: 0.8395510434506855
Energy: 0.8373355930926102
Energy: 0.8471554462153909
Energy: 0.8400654307771872
Energy: 0.8374831496277665
Energy: 0.8522745121312032
Energy: 0.8382924950509204
Energy: 0.8373113292649569
Energy: 0.8473383527595243
Energy: 0.8407435073037252
Energy: 0.8384245533427701
Energy: 0.8491517456424467
Energy: 0.8375725808724319
Energy: 0.8387813635810566
Energy: 0.8465197220512116
Energy: 0.8413701636802842
Energy: 0.8388057057819672
Energy: 0.8489738968257091
Energy: 0.841649438899434
Energy: 0.8392902854219123
Energy: 1.0170835209147622
Energy: 0.8952369802425894
Energy: 0.8960277442934231
Energy: 0.8443342233311425
Energy: 0.8967945005118604
Energy: 0.8449980517977921
Energy: 0.8602803302484259
Energy: 0.8371353142111462
Energy: 0.8402666278370948
Energy: 0.8597236238036872
Energy: 0.8409049500436028
Energy: 0.8392685535085189
Energy: 0.8609069604295612
Energy: 0.8422459714230945
Energy: 0.8412751311227721
Energy: 0.8454492854279936
Energy: 0.8560537178806146
Energy: 0.828827117263791
Energy: 0.9150958450260925
Energy: 0.8445483959377031
Energy: 0.8306992002808283
Energy: 0.8506339450592113
Energy: 0.8456801168333473
Energy: 0.8377586463652403
Energy: 0.8640178650784929
Energy: 0.8395147758623425
Energy: 0.838296666401741
Energy: 0.8561798129516521
Energy: 0.8492497770487325
Energy: 0.8375121435809794
Energy: 0.8478599949010788
Energy: 0.8388703892480149
Energy: 0.8354511478523131
Energy: 0.8503040541279765
Energy: 0.8423660804445603
Energy: 0.8353710203197602
Energy: 0.9152293830291637
Energy: 0.8595000551660069
Energy: 0.8374415266171338
Energy: 0.8426512909050543
Energy: 0.8605176159774529
Energy: 0.837441788654899
Energy: 0.9288366664158361
Energy: 0.8380743720160464
Energy: 0.8378347897429348
Energy: 0.8974146059843439
Energy: 0.8468889744106852
Energy: 0.8386051622594525
Energy: 0.9226864589599204
Energy: 0.8554229265437685
Energy: 0.8389355304622761
Energy: 0.842505457832653
Energy: 0.8600206409131557
Energy: 0.8378380787042365
Energy: 0.9269599040845752
Energy: 0.8384708323177655
Energy: 0.8394556800811587
Energy: 0.8382703655270061
Energy: 0.8501508725587477
Energy: 0.837678691837291
Energy: 0.9176475255245687
Energy: 0.8422088784695064
Energy: 0.8381110786020647
Energy: 0.8380428129478364
Energy: 0.8523317617333984
Energy: 0.8370181079401203
Energy: 0.925017738365984
Energy: 0.8308334005467949
Energy: 0.8292046074492925
Energy: 0.8391160917954743
Energy: 0.8425051744096249
Energy: 0.8291251780949381
Energy: 0.9970752622817395
Energy: 0.8490034053902606
Energy: 0.8377153351251287
Energy: 0.8385407558066887
Energy: 0.8527081870761725
Energy: 0.8373009147222638
Energy: 0.85014948384271
Energy: 0.8560680868577275
Energy: 0.8277518515387448
Energy: 0.8563133378150257
Energy: 0.8585929925122003
Energy: 0.8280950325084349

minimum gb energy = 0.8277518515387448 eV
minimum distance =  2.53232026727237 Angstroms
sigma value = 57


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

Energy: 1.160401078612981
Energy: 0.8566873656686422
Energy: 0.8572577437342778
Energy: 0.9590606821725628
Energy: 1.290853346236966
Energy: 0.8511200057584999
Energy: 0.8278898024821871
Energy: 0.8528743904171145
Energy: 0.8553114015205766
Energy: 0.8554918444272179
Energy: 0.8526752484824163
Energy: 0.8554119449890735
Energy: 0.9189570011705197
Energy: 0.8492918123040941
Energy: 0.8490461313970991
Energy: 0.8459290242427122
Energy: 0.8465150474208333
Energy: 0.8570326390195501
Energy: 0.8412864038528921
Energy: 0.8560940216788682
Energy: 0.8535616960239181
Energy: 0.8460675417865976
Energy: 0.8395755818317306
Energy: 0.8541275360847522
Energy: 0.8496801768937956
Energy: 0.85260104660153
Energy: 0.8545439353517099
Energy: 0.8448994334326677
Energy: 0.8511145999205391
Energy: 0.8533597561733604
Energy: 0.8445930037751453
Energy: 0.8547805957419629
Energy: 0.8539965845426142
Energy: 0.8563260052062288
Energy: 0.8539506285838205
Energy: 0.8551158750395746
Energy: 0.9031750318751322
Energy: 0.8502063738899975
Energy: 0.8550671959024497
Energy: 0.8544030682830768
Energy: 0.8451877014215072
Energy: 0.855313161142769
Energy: 0.9198228677030162
Energy: 0.8540979602479969
Energy: 0.8568612724465748
Energy: 0.8524966096443463
Energy: 0.846857061110848
Energy: 0.8548788414729036
Energy: 0.8747917573487637
Energy: 0.8512351888397038
Energy: 0.8461366637216965
Energy: 0.8349267051709199
Energy: 0.84676501916955
Energy: 0.8459708082137805
Energy: 0.8275040659746288
Energy: 0.8514915949532653
Energy: 0.8461340701292626
Energy: 0.8346921185425024
Energy: 0.8506112236643936
Energy: 0.8459058468599865
Energy: 0.9182274839988784
Energy: 0.8545120304643947
Energy: 0.8566872186557872
Energy: 0.85319543254548
Energy: 0.8498580620155384
Energy: 0.8548988377636952
Energy: 0.8408936077341308
Energy: 0.8585361351299331
Energy: 0.8579191042243204
Energy: 0.8436668278134113
Energy: 0.8453441256631324
Energy: 0.8548519224749405
Energy: 0.8505987151319159
Energy: 0.8533178440369078
Energy: 0.8540057647053071
Energy: 0.8533399473756819
Energy: 0.8529106318964093
Energy: 0.8528707910603809
Energy: 0.8425344888066876
Energy: 0.8504966747880696
Energy: 0.853475621587707
Energy: 0.8545061988285646
Energy: 0.9177558477137023
Energy: 0.8537447030528282
Energy: 0.8501020176760233
Energy: 0.8456085614247095
Energy: 0.854786071400042
Energy: 0.85366281401911
Energy: 0.8521908345066258
Energy: 0.8544024068036972
Energy: 0.913615014094161
Energy: 0.8457157339949393
Energy: 0.8481174032693023
Energy: 0.8453614176462556
Energy: 0.8535293068023171
Energy: 0.8546213696242048
Energy: 0.8278956200367505
Energy: 0.8526240870974512
Energy: 0.8553846452930807
Energy: 0.8280800474344091
Energy: 0.8541115292834235
Energy: 0.8584868466381171

minimum gb energy = 0.8275040659746288 eV
minimum distance =  2.5095368923454 Angstroms
sigma value = 9


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

Energy: 1.4348197628481647
Energy: 0.9554283448260196
Energy: 0.9001192976278456
Energy: 0.9338034051370658
Energy: 0.949190266099537
Energy: 0.9028005304742664
Energy: 0.9699499582777106
Energy: 0.9118365243109375
Energy: 0.9105208429570458
Energy: 0.9090790254156027
Energy: 0.9331895407474009
Energy: 0.9122524564173118
Energy: 0.9325115330238579
Energy: 0.9158631999223219
Energy: 0.9066214362643932
Energy: 0.9097911034307801
Energy: 0.9190821984135783
Energy: 0.9051248984171231
Energy: 0.9132118044069688
Energy: 0.9052046046778521
Energy: 0.9049836438002226
Energy: 0.9142867264559817
Energy: 0.9048521995549784
Energy: 0.9040471149564085
Energy: 0.9204177891387612
Energy: 0.9075698294090864
Energy: 0.9071008148274786
Energy: 0.9225096495730954
Energy: 0.9145527533759013
Energy: 0.9077589814274569
Energy: 0.9029889667718832
Energy: 0.9036935890812703
Energy: 0.9023673015451085
Energy: 0.9038561171609748
Energy: 0.9053378933848544
Energy: 0.9012333909168634
Energy: 0.9152626210599768
Energy: 0.8965420103440366
Energy: 0.8943499552840729
Energy: 0.8975687640400863
Energy: 0.8955709536706871
Energy: 0.9008605315499845
Energy: 0.9504545792875276
Energy: 0.9033043899483925
Energy: 0.9013034517646533
Energy: 0.902385719525407
Energy: 0.9102315048634321
Energy: 0.9009054850537489
Energy: 0.9412757095425529
Energy: 0.895136105903177
Energy: 0.8948360407376191
Energy: 0.9106019877089336
Energy: 0.90497197915641
Energy: 0.9066136901493561
Energy: 0.9349978944930368
Energy: 0.8950229469014563
Energy: 0.8951073635063661
Energy: 0.8994473418094124
Energy: 0.9027895883980078
Energy: 0.8956364870328022
Energy: 0.9470189614821415
Energy: 0.8995360991656445
Energy: 0.8965859525064541
Energy: 0.9009083650150201
Energy: 0.9032608420132215
Energy: 0.8942974249403135
Energy: 0.943254483984406
Energy: 0.917001764668778
Energy: 0.9141507228832725
Energy: 0.9297950630896012
Energy: 0.9198314340400958
Energy: 0.912665803498257
Energy: 1.0699352387777892
Energy: 0.9074374319560637
Energy: 0.9073565835970737
Energy: 0.905676070617219
Energy: 0.9086978986800742
Energy: 0.9038596167421106
Energy: 0.9525183417435718
Energy: 0.9041160752572163
Energy: 0.902708667784727
Energy: 0.9035972711068597
Energy: 0.9072565356090572
Energy: 0.9032636449337845
Energy: 0.946459742571535
Energy: 0.895121254302234
Energy: 0.894330176115017
Energy: 0.9334744768936165
Energy: 0.9009759093331873
Energy: 0.9121459221716818
Energy: 0.9344138598968882
Energy: 0.892625468491764
Energy: 0.8934304985705315
Energy: 0.9191490863563107
Energy: 0.9110451238109378
Energy: 0.8930655532944275
Energy: 0.9340222458292855
Energy: 0.9061258410248572
Energy: 0.9040608522257967
Energy: 0.9073258611697524
Energy: 0.9099947662134202
Energy: 0.9040412552312056
Energy: 1.005368944927653
Energy: 0.9202423081646899
Energy: 0.9167232827440511
Energy: 0.9208215998479851
Energy: 0.9283346533309056
Energy: 0.9167815352686586
Energy: 0.9264345699194904
Energy: 0.9104530674649445
Energy: 0.9076272113538634
Energy: 0.9074535057838394
Energy: 0.9035511401545746
Energy: 0.9072925342616361
Energy: 0.9345036661999598
Energy: 0.9079289528280762
Energy: 0.9059629834654863
Energy: 0.9390597995712815
Energy: 0.9114340012181007
Energy: 0.9051821410766012
Energy: 0.9240871105036661
Energy: 0.931671766012112
Energy: 0.9210244625011704
Energy: 0.9079678485618611
Energy: 0.9325415640216957
Energy: 0.9178457061493073

minimum gb energy = 0.892625468491764 eV
minimum distance =  2.47489920306956 Angstroms
sigma value = 27


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

Energy: 1.183058126677769
Energy: 0.890444032875675
Energy: 0.9022086513218662
Energy: 0.8905539360128275
Energy: 1.331055691937855
Energy: 0.8895329634588082
Energy: 0.9355388854702948
Energy: 0.9034227815367467
Energy: 0.830432506734686
Energy: 0.9368459006652825
Energy: 0.9003810258338236
Energy: 0.8325812790388765
Energy: 0.9589764019880068
Energy: 0.8798803559456162
Energy: 0.8810564563732435
Energy: 0.8774043051357553
Energy: 0.8817380971719007
Energy: 0.9260305060618654
Energy: 0.9375703349563838
Energy: 0.8405668948300616
Energy: 0.9257751319172443
Energy: 0.9322800172809036
Energy: 0.8414519512110827
Energy: 0.8414674179673286
Energy: 0.8905355921213473
Energy: 0.8282490151091102
Energy: 0.9281840307179099
Energy: 0.8893554255651496
Energy: 0.9567083401664537
Energy: 0.9270711992486613
Energy: 0.9308091619846428
Energy: 0.9252633068815439
Energy: 0.9199663276240242
Energy: 0.925220470861184
Energy: 0.8437931334837072
Energy: 0.9184398194336524
Energy: 0.9117923512878696
Energy: 0.886885170277242
Energy: 0.8883960871515729
Energy: 0.8870114936244353
Energy: 0.888280931816724
Energy: 0.8887298778078284
Energy: 0.972202410634917
Energy: 0.8640105262688319
Energy: 0.9188491914944192
Energy: 0.9174958588147276
Energy: 0.8601613919623958
Energy: 0.9183863275054314
Energy: 1.0137364817113481
Energy: 0.8409815363067052
Energy: 0.8403401964584347
Energy: 0.8982303299743686
Energy: 0.8424401726158511
Energy: 0.8408450174890855
Energy: 0.9853557512821973
Energy: 0.8480667236669769
Energy: 0.8467306165627213
Energy: 0.8782833769630338
Energy: 0.8326701311295819
Energy: 0.8442488266805783
Energy: 0.9714440368320487
Energy: 0.9251282925653409
Energy: 0.9239647182463658
Energy: 0.937485272650601
Energy: 0.8800430313786369
Energy: 0.9246894717979428
Energy: 0.848173817868157
Energy: 0.8436203023031803
Energy: 0.8420598451536505
Energy: 0.8489581763322301
Energy: 0.8414551201238055
Energy: 0.8405460856551165
Energy: 0.8347927634653929
Energy: 0.8491672174733566
Energy: 0.8423731864244612
Energy: 0.8367624323975551
Energy: 0.8533045349506878
Energy: 0.8417319981465797
Energy: 0.8303137055856118
Energy: 0.83126141257696
Energy: 0.8275347718855338
Energy: 0.8414212117146105
Energy: 0.8252074163469988
Energy: 0.8268160800542899
Energy: 0.8486915594210052
Energy: 0.839174451024767
Energy: 0.8427463595370217
Energy: 0.8492797174829549
Energy: 0.8353390928008064
Energy: 0.8456896440740229
Energy: 0.9209065752084036
Energy: 0.8381404501481917
Energy: 0.8394501007324887
Energy: 0.8784563233594067
Energy: 0.8346143848909977
Energy: 0.8415626699623944
Energy: 0.9010768416793324
Energy: 0.8277628401181245
Energy: 0.8266238638201573
Energy: 0.8828624838280874
Energy: 0.827104000621862
Energy: 0.8265761791718559
Energy: 0.9392376879551761
Energy: 0.8723616717735233
Energy: 0.844513864828154
Energy: 0.9054574635925285
Energy: 0.9121977909032224
Energy: 0.8425939852512426
Energy: 0.9455824246693137
Energy: 0.85911542539033
Energy: 0.8587721708745559
Energy: 0.9456350098672389
Energy: 0.8752673121568469
Energy: 0.8653475899806539
Energy: 0.9149267276412122
Energy: 0.8594213370872734
Energy: 0.8592383949004359
Energy: 0.9070203370356638
Energy: 0.8756571883153325
Energy: 0.8659570173983919
Energy: 0.9986852423457804
Energy: 0.8440385133800782
Energy: 0.8436612789640449
Energy: 0.9215626508788417
Energy: 0.9122262535943728
Energy: 0.8420260243534777
Energy: 0.8849581421592988
Energy: 0.8361140053046129
Energy: 0.8870134532772163
Energy: 0.88205031251327
Energy: 0.9312160981011157
Energy: 0.9304933776308195
Energy: 0.9985843692676216
Energy: 0.8822394269614025
Energy: 0.9186323742566052
Energy: 0.91893973319696
Energy: 0.88123132267
Energy: 0.9184680586512695
Energy: 0.9115757542095428
Energy: 0.863432970537234
Energy: 0.9218736499292343
Energy: 0.9350017208050683
Energy: 0.8642689289187738
Energy: 0.9232572342639982
Energy: 0.934956066858674
Energy: 0.9347406653078505
Energy: 0.9409239542706987
Energy: 0.8760602187721003
Energy: 0.8735547024830647
Energy: 0.8744994853925344

minimum gb energy = 0.8252074163469988 eV
minimum distance =  2.49939405053723 Angstroms
sigma value = 19


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

Energy: 0.9111965669716175
Energy: 0.8927489170234223
Energy: 0.9030986181968518
Energy: 0.8737293467213022
Energy: 0.8753320316475881
Energy: 0.9036817906461327
Energy: 0.9752777595587753
Energy: 0.8680405068379295
Energy: 0.8695216974971783
Energy: 0.8670496765006392
Energy: 0.8616986418192173
Energy: 0.8686976694247374
Energy: 0.9058174884957966
Energy: 0.862873794140828
Energy: 0.8686989540833318
Energy: 0.9024747020527435
Energy: 0.8593848296615372
Energy: 0.8706064001744972
Energy: 0.8997774974934597
Energy: 0.8654427292757174
Energy: 0.865139568677027
Energy: 0.865410442239808
Energy: 0.8646032743696562
Energy: 0.864924342077615
Energy: 0.8730399493973314
Energy: 0.8639035488810477
Energy: 0.8612417049137715
Energy: 0.8738957403226167
Energy: 0.8515397879483982
Energy: 0.8641039885367463
Energy: 0.8624316712004759
Energy: 0.8665793026176668
Energy: 0.8656207578085938
Energy: 0.8657974552922308
Energy: 0.8643400095717125
Energy: 0.8654243756914597
Energy: 0.8934962248243733
Energy: 0.8577278723924253
Energy: 0.8612116741271244
Energy: 0.8686541053030347
Energy: 0.8559277817322017
Energy: 0.8629200853360418
Energy: 0.8793033785557957
Energy: 0.8605066347170665
Energy: 0.8700908904964838
Energy: 0.8607364606100055
Energy: 0.8607293134986236
Energy: 0.8663437494493074
Energy: 0.8552614839723051
Energy: 0.8739014078021881
Energy: 0.8750860227622991
Energy: 0.8582447843091763
Energy: 0.8797474692422217
Energy: 0.8715890037250604
Energy: 0.8560047178504381
Energy: 0.8520151194384041
Energy: 0.8588160978779698
Energy: 0.8677096702856192
Energy: 0.8521270080918335
Energy: 0.8588567302711055
Energy: 0.903483371594278
Energy: 0.8454471754096237
Energy: 0.8500668463205348
Energy: 0.9036682263899581
Energy: 0.8424300710959378
Energy: 0.8411764126367263
Energy: 0.926309725339532
Energy: 0.8517183460391905
Energy: 0.851618171928604
Energy: 0.8511712130889726
Energy: 0.8417140741793604
Energy: 0.8550656190787496
Energy: 0.8869179596162612
Energy: 0.8424437093470095
Energy: 0.8485092179369991
Energy: 0.8541569270495766
Energy: 0.8547701641941228
Energy: 0.8546952125087286
Energy: 0.9079573535669981
Energy: 0.8466415238086671
Energy: 0.8460428045863909
Energy: 0.8415487757054532
Energy: 0.850573159569614
Energy: 0.8637020315062578
Energy: 0.9004539141929635
Energy: 0.8457410587825915
Energy: 0.8511365072581749
Energy: 0.8655792185170244
Energy: 0.8324045135320418
Energy: 0.8551869956520823
Energy: 0.9068631729855829
Energy: 0.8417765139598885
Energy: 0.8425303641518342
Energy: 0.8439838716362575
Energy: 0.8381876301634418
Energy: 0.8454758690081942
Energy: 0.8568506848380711
Energy: 0.8514753810571526
Energy: 0.8644337665914464
Energy: 0.8350680847930655
Energy: 0.8506946488678291
Energy: 0.8813283906964798
Energy: 0.8698267541125744
Energy: 0.8439831223068821
Energy: 0.8469244255813321
Energy: 0.8304452561447999
Energy: 0.8448051888530667
Energy: 0.843071506564802
Energy: 0.8962706561270524
Energy: 0.8427418968519588
Energy: 0.8480271986245301
Energy: 0.8706818512322257
Energy: 0.8324520026779556
Energy: 0.8408453511663532
Energy: 0.8741191390708235
Energy: 0.8462344221922754
Energy: 0.8491602458600714
Energy: 0.8401046017840545
Energy: 0.8304719846456634
Energy: 0.8410041792406351
Energy: 0.8346474276639506
Energy: 0.8423499032204748
Energy: 0.8484952285854809
Energy: 0.8380097877437656
Energy: 0.8438876718780767
Energy: 0.8437579948335214
Energy: 0.8308776898850837
Energy: 0.8505445305292967
Energy: 0.8543591905861607
Energy: 0.8337862779936958
Energy: 0.8511865792960481
Energy: 0.8512704632757884
Energy: 0.851621045008099
Energy: 0.8483215687438715
Energy: 0.8610192312924002
Energy: 0.843343467961489
Energy: 0.875089062831394
Energy: 0.8366915577836894
Energy: 0.8707042992667513
Energy: 0.8352003940416723
Energy: 0.8470003444451549
Energy: 0.8355426819102988
Energy: 0.8283312701884157
Energy: 0.8285277260499943
Energy: 0.8843714765974073
Energy: 0.8514812500528348
Energy: 0.8540514341956107
Energy: 0.8404773246182806
Energy: 0.8509739537096804
Energy: 0.8527861732227103
Energy: 0.8698761409255525
Energy: 0.869289381874014
Energy: 0.8709900522230555
Energy: 0.8549058985509339
Energy: 0.8824494266447583
Energy: 0.867592664483273
Energy: 0.8972767503261684
Energy: 0.8621983726793266
Energy: 0.863822733411312
Energy: 0.8554387607590668
Energy: 0.8629303833493212
Energy: 0.8663036715006345
Energy: 0.9062379057932011
Energy: 0.8642090708323281
Energy: 0.8650328832962227
Energy: 0.8669769684568556
Energy: 0.865581545450514
Energy: 0.8676500206446548
Energy: 0.8678138036783543
Energy: 0.9073510460693089
Energy: 0.8451502843066129
Energy: 0.8272714641465398
Energy: 0.8598227250990415
Energy: 0.8352072134838067

minimum gb energy = 0.8272714641465398 eV
minimum distance =  2.49519421442698 Angstroms
sigma value = 101


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

Energy: 1.3355756180247462
Energy: 0.8644217747615661
Energy: 0.8315262849310747
Energy: 0.7817521887740717
Energy: 0.8161774410065619
Energy: 0.7809715770943705
Energy: 0.9073823151783268
Energy: 0.8258398429869163
Energy: 0.8262645558234581
Energy: 0.8320116952569758
Energy: 0.818639911643476
Energy: 0.8264620367453567
Energy: 0.8812011221132034
Energy: 0.8171697571776319
Energy: 0.8141964486326182
Energy: 0.8753294042721974
Energy: 0.8120218682390042
Energy: 0.8109457712777014
Energy: 0.8450501053129438
Energy: 0.8275629094098871
Energy: 0.8246369916455416
Energy: 0.8249500495364918
Energy: 0.8280295051723578
Energy: 0.8243269408631417
Energy: 0.8275128364289295
Energy: 0.8157370333644512
Energy: 0.815498906558554
Energy: 0.8301250770669842
Energy: 0.8740062183988101
Energy: 0.8342148993854562
Energy: 0.8220374102482934
Energy: 0.8259219117220206
Energy: 0.8245888957103112
Energy: 0.8291028122498173
Energy: 0.82687208626452
Energy: 0.8243419079062331
Energy: 0.8654456947135147
Energy: 0.8115316282272277
Energy: 0.8073543915425653
Energy: 0.8316873428717872
Energy: 0.8069755228954296
Energy: 0.8095161202260405
Energy: 0.8140389861722247
Energy: 0.8293878499827544
Energy: 0.8243942354179279
Energy: 0.8339655546235717
Energy: 0.8263333443041317
Energy: 0.8237033936611622
Energy: 0.8100101118063145
Energy: 0.816287677288001
Energy: 0.8138734092022485
Energy: 0.8115592295720296
Energy: 0.8150758461963836
Energy: 0.8237803755817605
Energy: 0.8127558657588302
Energy: 0.8322054856070923
Energy: 0.8286870364509529
Energy: 0.8137441638072336
Energy: 0.8282301017325843
Energy: 0.8281821337498836
Energy: 0.8288250832725529
Energy: 0.7798054587038611
Energy: 0.7892344754325167
Energy: 0.824729892839872
Energy: 0.7900215444579961
Energy: 0.7826397666502715
Energy: 0.8844362495217757
Energy: 0.8347338242409373
Energy: 0.8304469825941035
Energy: 0.8291196669315152
Energy: 0.8141391648175514
Energy: 0.830675871540992
Energy: 0.8251834438088577
Energy: 0.8160869038447116
Energy: 0.8156228045787812
Energy: 0.8061268198175577
Energy: 0.8154066730736416
Energy: 0.8235447355319961
Energy: 0.83579251372625
Energy: 0.8180413406356873
Energy: 0.8329848813305163
Energy: 0.8077739806222971
Energy: 0.8186999645879439
Energy: 0.832853829404244
Energy: 0.8920222100561753
Energy: 0.8177869216617871
Energy: 0.8145700276379869
Energy: 0.8304753063285247
Energy: 0.8133733292493054
Energy: 0.8147254532188873
Energy: 0.8831340664021172
Energy: 0.8129900818919602
Energy: 0.8254682444075077
Energy: 0.8259734510153286
Energy: 0.813197618445791
Energy: 0.8251419217510058
Energy: 0.8158794577749502
Energy: 0.8593289667348154
Energy: 0.8239348933663746
Energy: 0.7805627549534041
Energy: 0.8306471357207708
Energy: 0.7863652545266848
Energy: 0.9056043686403145
Energy: 0.829656933976468
Energy: 0.8255543172348628
Energy: 0.8312932075353932
Energy: 0.8130253213972048
Energy: 0.8341589874751146
Energy: 0.8814743872877411
Energy: 0.8156322087559692
Energy: 0.8179078949248936
Energy: 0.8501466704602317
Energy: 0.8135383986286866
Energy: 0.8324913097647398
Energy: 0.864047234327441
Energy: 0.8165198551726828
Energy: 0.8292458894142738
Energy: 0.824876603258237
Energy: 0.8141473434061335
Energy: 0.829280645814411
Energy: 0.8300587950549733
Energy: 0.8158760484613566
Energy: 0.8143294535238372
Energy: 0.8317982117651459
Energy: 0.8181499186462484
Energy: 0.8388241117346039
Energy: 0.8248341975224737
Energy: 0.8256244440224937
Energy: 0.8258863504001256
Energy: 0.8190303367934441
Energy: 0.8264575099607588
Energy: 0.8254804911120007
Energy: 0.8270665177949355
Energy: 0.8140761056396446
Energy: 0.8149764869446648
Energy: 0.8336902067207554
Energy: 0.8100034846788472
Energy: 0.812773541518372
Energy: 0.8133663690548986
Energy: 0.8132275840869765
Energy: 0.8209621089048234
Energy: 0.833705701608355
Energy: 0.8118993923094645
Energy: 0.8374392664917213
Energy: 0.821077183047613
Energy: 0.8267143939876591
Energy: 0.8270829499226798
Energy: 0.8147139938988133
Energy: 0.8258549939227897
Energy: 0.8275189692448253
Energy: 0.8097476743263398
Energy: 0.8292823980129364
Energy: 0.8333563097417277
Energy: 0.8090052390678306
Energy: 0.8290382983198896
Energy: 0.8304041559550724
Energy: 0.863852772613495
Energy: 0.7951823832260783
Energy: 0.7890399429601129
Energy: 0.8249365494111399
Energy: 0.7894294602539984
Energy: 0.788919861931866
Energy: 0.8830532066289224
Energy: 0.7905897345180638
Energy: 0.8198722434754403
Energy: 0.8289993315015295
Energy: 0.7889293880676965
Energy: 0.8346694929002453
Energy: 0.8344435282552597
Energy: 0.8114563630443817
Energy: 0.8271333659310209
Energy: 0.8084201032069769
Energy: 0.8193222816934184
Energy: 0.8283479492072141
Energy: 0.8301542827772533
Energy: 0.8256958378204187
Energy: 0.8267592705447846
Energy: 0.8098109586242656
Energy: 0.8271573750727755
Energy: 0.8204759879960389
Energy: 0.8818023453554765
Energy: 0.8188485024230735
Energy: 0.8294877138806576
Energy: 0.8295158233355253
Energy: 0.8130022033704436
Energy: 0.8328223076432136
Energy: 0.8827973367382868
Energy: 0.8153701230501551
Energy: 0.816341199840011
Energy: 0.8262033696308562
Energy: 0.8137827348584723
Energy: 0.8263978180262448
Energy: 0.8247892606903128
Energy: 0.8158087820364419
Energy: 0.8223144804705733
Energy: 0.7845160679531514
Energy: 0.8088395407036639
Energy: 0.8213384133134656

minimum gb energy = 0.7798054587038611 eV
minimum distance =  2.52298459475673 Angstroms
sigma value = 33


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

Energy: 0.021411261765315662
Energy: 0.02297478411567671
Energy: 0.022899689945646395
Energy: 0.024849156843226885
Energy: 0.9192142506508286
Energy: 0.022724136290427785
Energy: 0.023129719852210243
Energy: 0.1308788263840525
Energy: 0.1296597204712639
Energy: 0.12930597387688844
Energy: 0.1292462523714537
Energy: 0.1289805005062376
Energy: 1.2339153208969718
Energy: 0.921174993069639
Energy: 0.9209588628973198
Energy: 0.9181322986779641
Energy: 0.9182729269057153
Energy: 0.9194918236508297
Energy: 0.437229944414359
Energy: 0.1308788263840525
Energy: 0.12965972047050955
Energy: 0.12930597387613413
Energy: 0.12924625237254328
Energy: 0.12898050050472895

minimum gb energy = 0.021411261765315662 eV
minimum distance =  2.73837764924605 Angstroms
sigma value = 1