Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pd__MO_993644691224_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.890355840325356
cohesive_energy=3.910303178966872
mass=106.42
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=[1.24891270796934e-19, 1.9108199407737599e-19, 2.43051797554434e-19, 2.88507150837648e-19, 3.3047776994191197e-19, 3.6932574678650994e-19, 4.04490319549542e-19, 4.3576000091532e-19, 4.63407160911624e-19, 4.878499676399279e-19, 5.094777500222939e-19, 5.28612545562156e-19, 5.45515509050856e-19, 5.60412547393788e-19, 5.73494319610398e-19, 5.84925849893988e-19, 5.948401189051799e-19, 6.03338063771916e-19, 6.104821693829219e-19, 6.162932640344399e-19, 6.207745520797379e-19, 6.239452596384239e-19, 6.25827817183374e-19, 6.26449461717366e-19, 6.25776547531086e-19, 6.235975873088459e-19, 6.19672254555546e-19, 6.137025444172619e-19, 6.05012338354446e-19, 5.9302164842559e-19, 5.7712004533314e-19, 5.56576936531992e-19, 5.305095226968119e-19, 4.97823517186578e-19, 4.57142650272684e-19, 4.06702925481096e-19, 3.4420361716539e-19, 2.6661020278076996e-19, 1.6988679938618996e-19, 4.8665955040086594e-20, -1.041998004394776e-19, -2.98350924076944e-19, -5.4699111373077e-19, -8.686200621231e-19, -1.2896528554186919e-18, -1.8485433350101798e-18, -2.6030563772598e-18, -3.6443109716963995e-18, -5.0822645007114e-18, -7.10663069953674e-18, -1.0085077062142739e-17, -1.4727656229185518e-17, -2.2569061154841e-17, -3.7452641214047395e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01302251710994047
Energy: 0.013502994153305272
Energy: 0.013993701230787234
Energy: 0.013383113467521007
Energy: 0.3898434353691897
Energy: 0.013551859030157834
Energy: 0.013502994153305272
Energy: 0.09778585061746997
Energy: 0.09759722687526881
Energy: 0.09764351653897614
Energy: 0.09760122888281011
Energy: 0.09743584976909365
Energy: 0.013993701230245664
Energy: 0.09759722687921024
Energy: 0.09742452480724922
Energy: 0.013972739873900153
Energy: 0.0973940804305866
Energy: 0.09757210385118414
Energy: 0.013383113466197166
Energy: 0.09764351653340998
Energy: 0.013972739875223994
Energy: 0.013399028620195584
Energy: 0.09750366328151346
Energy: 0.013585869156584699
Energy: 0.389843435370002
Energy: 0.0976012288854578
Energy: 0.09739408043163965
Energy: 0.09750366328202492
Energy: 0.09763185434334447
Energy: 0.09742125218615615
Energy: 0.013551859027750851
Energy: 0.09743584976882287
Energy: 0.09757210385091336
Energy: 0.013585869158149237
Energy: 0.09742125218405004
Energy: 0.013877203862985587

minimum gb energy = 0.01302251710994047 eV
minimum distance =  2.74586089302256 Angstroms
sigma value = 1


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

Energy: 1.2339960664618648
Energy: 0.7565344521433488
Energy: 0.7784865736156095
Energy: 0.7282670024889997
Energy: 0.7701580063087292
Energy: 0.7787769241406199
Energy: 1.1300190441206162
Energy: 0.7119141529551063
Energy: 0.7244951739046014
Energy: 0.7207660287754211
Energy: 0.7119571117517295
Energy: 0.7319249469767758
Energy: 1.1114361955339245
Energy: 0.7243531703977386
Energy: 0.7298404854786334
Energy: 0.726214126063432
Energy: 0.72067808330336
Energy: 0.7296881623516583
Energy: 1.1898934718299252
Energy: 0.7259110003461255
Energy: 0.724008896790284
Energy: 0.7130644668546066
Energy: 0.7254683992752653
Energy: 0.7106318294499766
Energy: 1.0948028248907171
Energy: 0.7444155951524348
Energy: 0.7316775710373926
Energy: 0.7288555969995429
Energy: 0.7255452975444504
Energy: 0.7295493047330002
Energy: 1.0854789157421612
Energy: 0.7547467805627778
Energy: 0.7272493079773329
Energy: 0.7267478339258348
Energy: 0.7349943948311976
Energy: 0.726489879536533
Energy: 1.0875562150220346
Energy: 0.7311061822771427
Energy: 0.7303024513246927
Energy: 0.7265386922154289
Energy: 0.7135145448891516
Energy: 0.7295968072601837
Energy: 1.0279864060564599
Energy: 0.7214207517829199
Energy: 0.7551023679709351
Energy: 0.6972244411298962
Energy: 0.7271453754272024
Energy: 0.7377240858810525
Energy: 0.8987679432038368
Energy: 0.7267560486009361
Energy: 0.726242015995634
Energy: 0.7435715009789264
Energy: 0.7266773827838701
Energy: 0.7261717534256519
Energy: 0.8945510027396489
Energy: 0.7294986608001357
Energy: 0.7296946553721992
Energy: 0.7227196722413255
Energy: 0.7302491163862795
Energy: 0.7307007501563016
Energy: 0.8956350427841919
Energy: 0.7230281501069397
Energy: 0.7067853052972078
Energy: 0.7573988027041165
Energy: 0.7345600911560604
Energy: 0.72615762554866
Energy: 0.8131087116788664
Energy: 0.7358448980294989
Energy: 0.7304802212769137
Energy: 0.7114311731737809
Energy: 0.7228814789553888
Energy: 0.7298429675273158
Energy: 0.808390019497141
Energy: 0.731781100743903
Energy: 0.7319803234402584
Energy: 0.7314880831053414
Energy: 0.7410048163356964
Energy: 0.7319921497457935
Energy: 0.8792254055002378
Energy: 0.7217553484618933
Energy: 0.7117234204279891
Energy: 0.7338716792437701
Energy: 0.7301882864552787
Energy: 0.7189828285500212
Energy: 0.8365861903561896
Energy: 0.7285909890273417
Energy: 0.7290581446060656
Energy: 0.7305180801255561
Energy: 0.7286858304232934
Energy: 0.735841840597463
Energy: 0.8377647475401202
Energy: 0.7210964137936016
Energy: 0.7205977523749212
Energy: 0.7491495781311647
Energy: 0.7298636066295335
Energy: 0.7203513146633066
Energy: 1.0253457019885817
Energy: 0.7274049879569063
Energy: 0.7286294458067026
Energy: 0.7173137394414107
Energy: 0.725060911498565
Energy: 0.7180980746537142
Energy: 0.988770698930946
Energy: 0.7286560716766493
Energy: 0.7324492673446723
Energy: 0.7272544214770559
Energy: 0.7276798526229977
Energy: 0.7391822516908921
Energy: 0.9891702861983208
Energy: 0.7276150492476362
Energy: 0.7283966323608914
Energy: 0.727892592264904
Energy: 0.7376537267180138
Energy: 0.7383235445200942
Energy: 1.0528603812768869
Energy: 0.7380671264767648
Energy: 0.728299470668887
Energy: 0.7278537818583678
Energy: 0.7304931136170959
Energy: 0.7372891110779891
Energy: 1.129769211183651
Energy: 0.7116877154438719
Energy: 0.7089974949195816
Energy: 0.7208982391561128
Energy: 0.7112817831444715
Energy: 0.7082130314475666
Energy: 1.1318141709746417
Energy: 0.7347811573647276
Energy: 0.72014001201904
Energy: 0.7201084506031284
Energy: 0.7345925897519201
Energy: 0.720511384483877
Energy: 1.1300957902972888
Energy: 0.7125546547167241
Energy: 0.7351336214856127
Energy: 0.7350254013862905
Energy: 0.7119074370186919
Energy: 0.730729158287048

minimum gb energy = 0.6972244411298962 eV
minimum distance =  2.57667791278819 Angstroms
sigma value = 33


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

Energy: 1.4916807034364732
Energy: 0.8687253289341866
Energy: 0.7862142919310743
Energy: 0.7863189563917838
Energy: 0.7547203173529821
Energy: 0.8712412217004749
Energy: 0.9718482140601616
Energy: 0.7513668178564862
Energy: 0.7483488672725938
Energy: 0.7514366031035169
Energy: 0.7574635208879761
Energy: 0.7447189759222874
Energy: 1.0915009407780485
Energy: 0.7245442392541799
Energy: 0.7518439539736066
Energy: 0.8188324360846806
Energy: 0.7507221189035229
Energy: 0.7614980784844179
Energy: 1.1667473574570488
Energy: 0.7709421585008832
Energy: 0.7506906394867878
Energy: 0.7874274730194081
Energy: 0.760689770191754
Energy: 0.813011244158586
Energy: 1.113480553227607
Energy: 0.7477739179486
Energy: 0.7578580682145342
Energy: 0.7475150606599147
Energy: 0.7718737664146957
Energy: 0.7584752569835299
Energy: 1.188441416324022
Energy: 0.7749710888594169
Energy: 0.7729403027256865
Energy: 0.7401368451724234
Energy: 0.7658634390424328
Energy: 0.7736352368437104
Energy: 1.1875976569138103
Energy: 0.8956726510842373
Energy: 0.8775366396697347
Energy: 0.7477216154304375
Energy: 0.8994889866525317
Energy: 0.8722674198461898
Energy: 1.1143843565196543
Energy: 0.7876125708375026
Energy: 0.786963872086721
Energy: 0.7217127389147393
Energy: 0.811221378038958
Energy: 0.7871751821147239
Energy: 1.0133574166872232
Energy: 0.8131043936085214
Energy: 0.8795318253224523
Energy: 0.9304745492374692
Energy: 0.8108934748995466
Energy: 0.8818095827114732
Energy: 1.0083003130114143
Energy: 0.8803250884061462
Energy: 0.9082384450814079
Energy: 0.8731575432991926
Energy: 0.8761495345074343
Energy: 0.8698585095198543
Energy: 1.0226924848940762
Energy: 0.7474990425036643
Energy: 0.7472312331060149
Energy: 0.7874654378778704
Energy: 0.7001994059951222
Energy: 0.7471560362565994
Energy: 0.945061588481385
Energy: 0.7000109869775365
Energy: 0.868295624045158
Energy: 0.9122748613791332
Energy: 0.702013310011878
Energy: 0.8676584685664996
Energy: 0.9418341650609053
Energy: 0.8763454616344515
Energy: 0.8806839386939928
Energy: 0.9006364361935572
Energy: 0.8806153813062467
Energy: 0.8802286611418795
Energy: 0.9073316433694354
Energy: 0.787571153843373
Energy: 0.8136382379299533
Energy: 0.7377456646356346
Energy: 0.7873229349343875
Energy: 0.8071327045465077
Energy: 0.9925586609973148
Energy: 0.8798870659178076
Energy: 0.8866494844341547
Energy: 0.9451525710848928
Energy: 0.8739938806794177
Energy: 0.8883660219057666
Energy: 0.9871370654733993
Energy: 0.8929901386002733
Energy: 0.7589828291121855
Energy: 0.9142007153001888
Energy: 0.7586876080493968
Energy: 0.7574736490925337
Energy: 1.1112276735262316
Energy: 0.7442978148310792
Energy: 0.7453209761982952
Energy: 0.7698745351172577
Energy: 0.7525017884087947
Energy: 0.7681246987918067
Energy: 1.0432947754003934
Energy: 0.7482393530204241
Energy: 0.7466463199891742
Energy: 0.8143527414654036
Energy: 0.7506604699749279
Energy: 0.786807008320465
Energy: 1.0468823723328
Energy: 0.7782273880539811
Energy: 0.7490604155881058
Energy: 0.8116941479777585
Energy: 0.7341699737660211
Energy: 0.7585835313135108
Energy: 1.0470587390100767
Energy: 0.7256898358846564
Energy: 0.7258770477001015
Energy: 0.8663983650709024
Energy: 0.7242048540268761
Energy: 0.7303019464032524
Energy: 1.2071572985650982
Energy: 0.7502607023948284
Energy: 0.8228966585982584
Energy: 0.7861949318336914
Energy: 0.7502192463530711
Energy: 0.7467351268354282
Energy: 1.1298396710484566
Energy: 0.7498549976411936
Energy: 0.746474561936111
Energy: 0.807938228499543
Energy: 0.7571388567802867
Energy: 0.7437702291549133
Energy: 1.0593280559196132
Energy: 0.7467947150691087
Energy: 0.7253646472794391
Energy: 0.7477495114965932
Energy: 0.7494829593907724
Energy: 0.7501793550262371
Energy: 1.1672084770657987
Energy: 0.7578376599538549
Energy: 0.7563594967636693
Energy: 0.8132111518786038
Energy: 0.7858693932053004
Energy: 0.8329505802242443
Energy: 1.0601663374349908
Energy: 0.7520799586703745
Energy: 0.747497207908101
Energy: 0.7478216832469243
Energy: 0.7512765199050363
Energy: 0.7524561756503196
Energy: 1.1931051631949945
Energy: 0.7667238491957076
Energy: 0.7738417872991822
Energy: 0.9000950906813154
Energy: 0.7746679703422765
Energy: 0.7404011572240465
Energy: 1.187941421801634
Energy: 0.8999183827055416
Energy: 0.8960219113933307
Energy: 0.8953636916392573
Energy: 0.8953403950123028
Energy: 0.9002516985843251
Energy: 0.9997521383583212
Energy: 0.8159321414261602
Energy: 0.8128865418931446
Energy: 0.7151548711220448
Energy: 0.81468567506302
Energy: 0.7143069507496642
Energy: 1.0094672224299734
Energy: 0.8164871454565595
Energy: 0.8420173236116965
Energy: 0.8842575007634462
Energy: 0.8136658691345394
Energy: 0.8790299715959099
Energy: 1.015809563188571
Energy: 0.8773347572917121
Energy: 0.878402863910111
Energy: 0.8720272361553179
Energy: 0.8767533549743136
Energy: 0.8846056409259934
Energy: 0.9281037168995896
Energy: 0.7470033381263473
Energy: 0.7466833567923763
Energy: 0.9044132771367513
Energy: 0.7475339764371877
Energy: 0.7466267160861574
Energy: 0.9428432501949305
Energy: 0.7014560583744445
Energy: 0.7002243026118489
Energy: 0.910200034351517
Energy: 0.702725471754886
Energy: 0.8896908938236552
Energy: 0.9425279466476945
Energy: 0.8790121559111134
Energy: 0.8774811161554257
Energy: 0.8986954521666426
Energy: 0.874377193252712
Energy: 0.8780646318170154
Energy: 0.9431688060934007
Energy: 0.8137966589382408
Energy: 0.8134114059419728
Energy: 0.8978964061772183
Energy: 0.7875082644219047
Energy: 0.813353021721112
Energy: 0.9864476678388913
Energy: 0.8751828496951949
Energy: 0.8792566978953761
Energy: 0.762179405917609
Energy: 0.8789548378733841
Energy: 0.8847342340330214
Energy: 0.9835795809531345
Energy: 0.7618327165025702
Energy: 0.8947985117337499
Energy: 0.9171552406070429
Energy: 0.876783525291812
Energy: 0.7642714839774375
Energy: 0.9872459493671621
Energy: 0.7769823714733223
Energy: 0.7686272068591513
Energy: 0.787709439884504
Energy: 0.7418136699694624
Energy: 0.7778320946865145
Energy: 1.0459513972721668
Energy: 0.7518221972178954
Energy: 0.7774502190579315
Energy: 0.8112354675883544
Energy: 0.7475705103829976
Energy: 0.7466364054082177
Energy: 1.0418678714900078
Energy: 0.7253171093404409
Energy: 0.7466665106273158
Energy: 0.8155670779139922
Energy: 0.7477109240363402
Energy: 0.7876796116704334
Energy: 1.1132714648152868
Energy: 0.7480144010330768
Energy: 0.7547956040606888
Energy: 0.74081253519404
Energy: 0.7711167164960907
Energy: 0.7467498608820958
Energy: 1.319796957468276
Energy: 0.7722751827131351
Energy: 0.7473867063347652
Energy: 0.7093972772700724
Energy: 0.7708038342108195
Energy: 0.7836672544070669

minimum gb energy = 0.7000109869775365 eV
minimum distance =  2.4956393340356 Angstroms
sigma value = 51


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

Energy: 1.2845521653124639
Energy: 0.7395809108709935
Energy: 0.7403219504970948
Energy: 0.815141919540107
Energy: 0.7793907863647889
Energy: 0.8153148388364486
Energy: 1.031528384822364
Energy: 0.7612459588893409
Energy: 0.7390074165839996
Energy: 0.7258389210091988
Energy: 0.7607152124807955
Energy: 0.7398348358391108
Energy: 1.114718463446571
Energy: 0.761724343858706
Energy: 0.751766393924129
Energy: 0.7688859581605273
Energy: 0.7806116340178658
Energy: 0.7723364053825462
Energy: 1.1150164329924859
Energy: 0.7703077172845125
Energy: 0.7709408048119182
Energy: 0.770433551442057
Energy: 0.7510648061345082
Energy: 0.7502997946961958
Energy: 0.9653008415773932
Energy: 0.7693210001315055
Energy: 0.7850219220357576
Energy: 0.7255904337795223
Energy: 0.7851697020378946
Energy: 0.7858237722716283
Energy: 0.9641166088503358
Energy: 0.7848451910721213
Energy: 0.7851341708239881
Energy: 0.7854254598343843
Energy: 0.7855603988099652
Energy: 0.784452075752161
Energy: 0.96453966223233
Energy: 0.7257961620771822
Energy: 0.72572881423196
Energy: 0.7852674132258078
Energy: 0.7252901027715204
Energy: 0.7906736524161291
Energy: 0.9566408954211456
Energy: 0.7557262712116476
Energy: 0.7615440516548501
Energy: 0.7716707229297893
Energy: 0.7559656590754542
Energy: 0.7613523484776412
Energy: 0.8224589565298571
Energy: 0.7568502339979228
Energy: 0.7562943317723747
Energy: 0.7815806570425974
Energy: 0.757042111688463
Energy: 0.777445951345602
Energy: 0.8231146264913777
Energy: 0.7263909573555428
Energy: 0.7640530763989315
Energy: 0.7810944125510095
Energy: 0.727200152063033
Energy: 0.7398282180401121
Energy: 0.8242522361502458
Energy: 0.7140041056331013
Energy: 0.7662079896077165
Energy: 0.7810505601982649
Energy: 0.7125687864724446
Energy: 0.7696322149113286
Energy: 0.8570639112303927
Energy: 0.7271389822835169
Energy: 0.7619917230847969
Energy: 0.777839941642397
Energy: 0.7814555808048702
Energy: 0.7707201894674512
Energy: 0.8558535675383293
Energy: 0.7695613526115218
Energy: 0.7687715455440883
Energy: 0.7881457234394667
Energy: 0.7685319885660916
Energy: 0.7780773638331034
Energy: 0.856776302384042
Energy: 0.7511209922416398
Energy: 0.7407506361611974
Energy: 0.7516220965130719
Energy: 0.752241873771778
Energy: 0.7403785320801388
Energy: 1.031234273415875
Energy: 0.749953275209871
Energy: 0.7734782544614329
Energy: 0.7778014892653402
Energy: 0.7475705269052249
Energy: 0.7687305389621754
Energy: 1.03015604939269
Energy: 0.7625426551769884
Energy: 0.7537562616042118
Energy: 0.7279852551149433
Energy: 0.7614935668146697
Energy: 0.726629627956248
Energy: 1.0358643111059613
Energy: 0.789021191530198
Energy: 0.7400691214815913
Energy: 0.77088282039773
Energy: 0.7621165432352821
Energy: 0.7397875017350185
Energy: 1.1984888491541184
Energy: 0.7543573040000466
Energy: 0.7409203675511882
Energy: 0.7535548243178024
Energy: 0.761688068199193
Energy: 0.7732549668794012

minimum gb energy = 0.7125687864724446 eV
minimum distance =  2.52391639316547 Angstroms
sigma value = 19


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

Energy: 1.0701305893564168
Energy: 0.7439441272726381
Energy: 0.741823852406969
Energy: 0.841086591359492
Energy: 0.7570438443978305
Energy: 0.7439179873981155
Energy: 1.0673605150719094
Energy: 0.7538422479697973
Energy: 0.7539695644228793
Energy: 0.7667433164806514
Energy: 0.7537858700680594
Energy: 0.7445395893476874
Energy: 1.1140631837548016
Energy: 0.7540669604867201
Energy: 0.7529811665920708
Energy: 0.7681179678677961
Energy: 0.7541981816410024
Energy: 0.75360237656258
Energy: 0.9030633008171537
Energy: 0.754883020297489
Energy: 0.7523049605265411
Energy: 0.7368546907638003
Energy: 0.753382051296544
Energy: 0.7528860090026172
Energy: 0.9077185857163484
Energy: 0.7539476757695176
Energy: 0.7703209088960646
Energy: 0.7689990546146194
Energy: 0.7532831168365769
Energy: 0.7796562711734718
Energy: 0.9066799867464798
Energy: 0.707955495647703
Energy: 0.7732258780155985
Energy: 0.7684652711574833
Energy: 0.700530087604928
Energy: 0.7631011591120077
Energy: 0.9073254545983905
Energy: 0.7711331210010952
Energy: 0.7657514032881861
Energy: 0.7675443576474869
Energy: 0.7402941770272453
Energy: 0.7660381175012596
Energy: 0.8557861201044655
Energy: 0.6994644464047934
Energy: 0.7001624248413553
Energy: 0.7535681978955409
Energy: 0.7004029874804382
Energy: 0.7013508588477572
Energy: 0.7550752148521169
Energy: 0.699625977441674
Energy: 0.6994928519621078
Energy: 0.754166092921955
Energy: 0.6998804558730924
Energy: 0.7000927510784054
Energy: 0.7547422545469503
Energy: 0.7439670882043808
Energy: 0.7426337067530593
Energy: 0.7546457192207806
Energy: 0.7698260927387368
Energy: 0.7537733910314486
Energy: 0.7531757016924012
Energy: 0.7372133314191566
Energy: 0.7377105870143041
Energy: 0.7536846078315501
Energy: 0.7372698859643083
Energy: 0.7469948389241473
Energy: 0.9070798352841174
Energy: 0.7715029632394086
Energy: 0.7659581294280627
Energy: 0.7534167497002587
Energy: 0.7695555840096162
Energy: 0.7527745945255796
Energy: 0.7316416661466628
Energy: 0.7665771433968825
Energy: 0.7525590648618637
Energy: 0.7004698838054998
Energy: 0.7660189063592204
Energy: 0.7690664644157931
Energy: 0.907466766902817
Energy: 0.7701815353984054
Energy: 0.7695352567441051
Energy: 0.7551871128485772
Energy: 0.7697068336703803
Energy: 0.767838937505637
Energy: 1.0678821862742023
Energy: 0.7423277202831045
Energy: 0.7422910365141513
Energy: 0.6994111042365091
Energy: 0.7526246531363842
Energy: 0.699617542234147
Energy: 1.0674177907073197
Energy: 0.7687679212876878
Energy: 0.7003522235997837
Energy: 0.7014928098899658
Energy: 0.7550901109302279
Energy: 0.7021320946376404
Energy: 0.9073288136914899
Energy: 0.7540109415593657
Energy: 0.7548409415644797
Energy: 0.7674876840645645
Energy: 0.753668193038978
Energy: 0.7534197058162718
Energy: 0.9032333993080225
Energy: 0.7531110474288629
Energy: 0.7523685743373107
Energy: 0.7371778413925132
Energy: 0.753712473299266
Energy: 0.7453800000157256
Energy: 0.9019770833902747
Energy: 0.7531382493136443
Energy: 0.7528658956011155
Energy: 0.736465721789488
Energy: 0.754435111516579
Energy: 0.7520287612662717
Energy: 0.9074347224355251
Energy: 0.7011522088055545
Energy: 0.7697635251054882
Energy: 0.7668073376048623
Energy: 0.7018110761087649
Energy: 0.7702432434440525
Energy: 0.9052429905821289
Energy: 0.7588224359177692
Energy: 0.7682524282044155
Energy: 0.769976511377643
Energy: 0.754789378464372
Energy: 0.7688238498789945
Energy: 0.9072955893776787
Energy: 0.7795265876197751
Energy: 0.7785052353923595
Energy: 0.7663888173419978
Energy: 0.7409134765957607
Energy: 0.7749482314253437
Energy: 0.8567741699810565
Energy: 0.7001480906527847
Energy: 0.7005344150921968
Energy: 0.8568624539663025
Energy: 0.7003830084696608
Energy: 0.7425838816620742
Energy: 0.755082707667274
Energy: 0.7440155876119291
Energy: 0.7427913261069831
Energy: 0.753881864039983
Energy: 0.732034182823951
Energy: 0.7547847372451258
Energy: 0.7549117540402696
Energy: 0.7319202468909958
Energy: 0.7463723776362811
Energy: 0.7544248534872249
Energy: 0.7687001100231274
Energy: 0.7527305285698733
Energy: 0.8583814897674427
Energy: 0.7371237257040436
Energy: 0.7366816987217902
Energy: 0.7433054021319682
Energy: 0.7370913134531933
Energy: 0.7518939462956769
Energy: 0.9074553304086937
Energy: 0.7670887932849664
Energy: 0.7679181866333553
Energy: 0.753929100440233
Energy: 0.7693107666243316
Energy: 0.777583411164108
Energy: 0.7319285892874235
Energy: 0.7674257853707399
Energy: 0.7642748537244606
Energy: 0.7147936093537508
Energy: 0.7681104105803501
Energy: 0.7638444363236672
Energy: 0.8558427573209306
Energy: 0.7675613784896828
Energy: 0.7663033271219162
Energy: 0.7409329753218075
Energy: 0.7677745682255211
Energy: 0.764709733354695
Energy: 1.065796930864182
Energy: 0.7448509673946977
Energy: 0.7009119029034971
Energy: 0.7012705727596772
Energy: 0.744322907301487
Energy: 0.7023162382835518

minimum gb energy = 0.6994111042365091 eV
minimum distance =  2.60799557822416 Angstroms
sigma value = 27


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

Energy: 0.904954454377654
Energy: 0.8001052577867024
Energy: 0.8868205023279112
Energy: 0.7182735221100346
Energy: 0.7109228591376988
Energy: 0.8864343849900188
Energy: 0.7960394088960192
Energy: 0.745439042787505
Energy: 0.6756048374681262
Energy: 0.6805177196073551
Energy: 0.7459702828794985
Energy: 0.6443913999448324
Energy: 0.8111433692853003
Energy: 0.7447108239074762
Energy: 0.6753082132263397
Energy: 0.6441217658342857
Energy: 0.7446475418798446
Energy: 0.6758927789623482
Energy: 0.7947850279878906
Energy: 0.6444945288279995
Energy: 0.6439678947913843
Energy: 0.6847518652108764
Energy: 0.7093575687448292
Energy: 0.6439303055387704
Energy: 0.8899607154640458
Energy: 0.6427925186171849
Energy: 0.6448862996434691
Energy: 0.7089411107016911
Energy: 0.6721910062140818
Energy: 0.6450884132462926
Energy: 0.7586150525949381
Energy: 0.6722670647806529
Energy: 0.6729942504858116
Energy: 0.7429089742880414
Energy: 0.6718161320216021
Energy: 0.6724120215911484
Energy: 0.7609006866264654
Energy: 0.6779750849323976
Energy: 0.6759319348875346
Energy: 0.747090596531345
Energy: 0.6786861160717433
Energy: 0.6757689416639951
Energy: 0.7619950458770026
Energy: 0.677893169578885
Energy: 0.6713671785273664
Energy: 0.7430702484053998
Energy: 0.6785656510143377
Energy: 0.671857924116838
Energy: 0.8113582118271054
Energy: 0.6800659785015531
Energy: 0.6752571854219838
Energy: 0.7423400786323581
Energy: 0.6720224862960035
Energy: 0.64429755098684
Energy: 0.812396346417894
Energy: 0.6750111675078491
Energy: 0.6739663244907015
Energy: 0.7094633137662374
Energy: 0.6759529566709401
Energy: 0.6751451705178
Energy: 0.812744910297339
Energy: 0.7273834339137748
Energy: 0.710832354694219
Energy: 0.6756606398901244
Energy: 0.7295320256710606
Energy: 0.7069058618813956
Energy: 0.8109764521425606
Energy: 0.6762207070890681
Energy: 0.6749446702455385
Energy: 0.6805400535194898
Energy: 0.676303621803525
Energy: 0.6446100136603673

minimum gb energy = 0.6427925186171849 eV
minimum distance =  2.61499349664723 Angstroms
sigma value = 9


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

Energy: 1.5550310008353938
Energy: 0.6359862215873672
Energy: 0.6339381954501482
Energy: 0.6418387254587865
Energy: 0.6293794782715669
Energy: 0.7714982009455679
Energy: 0.6322368498649157
Energy: 0.6095903794665011
Energy: 0.6326003845184315
Energy: 0.6166780866080259
Energy: 0.645080978378753
Energy: 0.6160105138762237
Energy: 0.687140238721996
Energy: 0.6318986463383098
Energy: 0.6343451505513958
Energy: 0.6394358628968962
Energy: 0.6449008914381915
Energy: 0.6365328027546748
Energy: 0.6875375630677591
Energy: 0.5955092429638514
Energy: 0.5953648672644094
Energy: 0.6358492056063879
Energy: 0.596902143048605
Energy: 0.5973046491278511
Energy: 0.7256489959329734
Energy: 0.5976346594032644
Energy: 0.584461424459703
Energy: 0.6514323522625018
Energy: 0.6213247559227196
Energy: 0.6254586420971332
Energy: 0.662078258643439
Energy: 0.5960025906522561
Energy: 0.6185132674386703
Energy: 0.6622532979639577
Energy: 0.6247416107092214
Energy: 0.6313482601201884
Energy: 0.6620147287366439
Energy: 0.5960454632421437
Energy: 0.5957860089893116
Energy: 0.6633304691058945
Energy: 0.5988470115372108
Energy: 0.5959962391546618
Energy: 0.6622489151299596
Energy: 0.620535622856484
Energy: 0.6156930185448957
Energy: 0.6625284851440456
Energy: 0.6276143273094612
Energy: 0.6333093801185176
Energy: 0.792708414243653
Energy: 0.6169906004300983
Energy: 0.6236282417008935
Energy: 0.6276852363744418
Energy: 0.6422397730289987
Energy: 0.5894055838535718
Energy: 0.6316065699278219
Energy: 0.5960675223081335
Energy: 0.5961677277320182
Energy: 0.6300187163750676
Energy: 0.5986006539326598
Energy: 0.5946913258019324
Energy: 0.6317141316062712
Energy: 0.6546478464699069
Energy: 0.5967490031863764
Energy: 0.6328551800060249
Energy: 0.6627801000198987
Energy: 0.598266572421547
Energy: 0.7405606897839806
Energy: 0.6411002583032148
Energy: 0.6142451329879749
Energy: 0.6108120257856843
Energy: 0.6630538140856717
Energy: 0.5902472838547652
Energy: 0.8249462896882862
Energy: 0.6267077323995852
Energy: 0.6343896664079278
Energy: 0.6231631193747075
Energy: 0.6410187943853539
Energy: 0.6520752143604603
Energy: 0.73927895029842
Energy: 0.6253135310104482
Energy: 0.6261579962125766
Energy: 0.6109566453607852
Energy: 0.6305129835098708
Energy: 0.627185072390832
Energy: 0.655570700069165
Energy: 0.6242327224206102
Energy: 0.6240621989724301
Energy: 0.6458226470311564
Energy: 0.6276415700217135
Energy: 0.6721944129162231
Energy: 0.6542363834091206
Energy: 0.6133017401406252
Energy: 0.6153572899446718
Energy: 0.6452506751718512
Energy: 0.6378725457810088
Energy: 0.6229373198331619
Energy: 0.655221784259437
Energy: 0.5893769607048239
Energy: 0.589165764058596
Energy: 0.6448203394620413
Energy: 0.6098407907117421
Energy: 0.618256886704873
Energy: 0.713658581612527
Energy: 0.6208359891621075
Energy: 0.5966568290010855
Energy: 0.6339348971516885
Energy: 0.6206029818972886
Energy: 0.5943477838956894
Energy: 0.6875173529725183
Energy: 0.6146657904567331
Energy: 0.6149984954036478
Energy: 0.6202907406701468
Energy: 0.6131216219275177
Energy: 0.615874750497345
Energy: 0.6874133423901886
Energy: 0.6207610582860119
Energy: 0.6137949210213948
Energy: 0.620387906275651
Energy: 0.6320640264488459
Energy: 0.6146121367485872
Energy: 0.6869765606586578
Energy: 0.6208291100362177
Energy: 0.618142170596653
Energy: 0.6129369367820104
Energy: 0.624718307175952
Energy: 0.6215192010371301
Energy: 0.718575922328414
Energy: 0.6107795750091888
Energy: 0.6109132483951915
Energy: 0.6103947606363305
Energy: 0.6345887766424675
Energy: 0.6096333104884163
Energy: 0.7145168497869407
Energy: 0.6100603534473917
Energy: 0.6253401001901293
Energy: 0.6212166751409903
Energy: 0.6357274697321714
Energy: 0.5933148864421536
Energy: 0.6871129734686443
Energy: 0.6062336591651843
Energy: 0.6217611244500102
Energy: 0.6384534625612713
Energy: 0.6548611667057643
Energy: 0.6244091613281839
Energy: 0.9419240794010241
Energy: 0.6501106061719357
Energy: 0.6245997894683188
Energy: 0.6157202043890874
Energy: 0.6459990075118953
Energy: 0.6268717463716351
Energy: 0.6871665787650411
Energy: 0.5967226457408527
Energy: 0.5916236283775347
Energy: 0.6538648234096233
Energy: 0.6109439880404997
Energy: 0.6254334312193343
Energy: 0.6356832251429074
Energy: 0.5958425296184692
Energy: 0.5955780621323014
Energy: 0.6361645420755591
Energy: 0.5964967512593212
Energy: 0.6320642390934043
Energy: 0.6630214037157336
Energy: 0.5962562045541051
Energy: 0.5904852945743015
Energy: 0.6628133979852678
Energy: 0.611030312058059
Energy: 0.5903112388328645
Energy: 0.6627105622552341
Energy: 0.5907263814875505
Energy: 0.5916612078117912
Energy: 0.662893491120373
Energy: 0.6278402136698167
Energy: 0.6223225440057559
Energy: 0.6567391190628141
Energy: 0.6374163359018848
Energy: 0.6313313087332649
Energy: 0.6527607752293462
Energy: 0.6279585289758604
Energy: 0.5961666153347498
Energy: 0.6317850072346701
Energy: 0.5971073473843994
Energy: 0.5972648358954725
Energy: 0.6319909193184767
Energy: 0.6280811163994773
Energy: 0.6469285518641941
Energy: 0.6317527343422502
Energy: 0.6294114078890154
Energy: 0.6186628625213805
Energy: 0.6297974076962276
Energy: 0.661808453702509
Energy: 0.5947952359824434
Energy: 0.8162124932762419
Energy: 0.6440586065599475
Energy: 0.6570615015374978
Energy: 0.6164215327014694
Energy: 0.6644356753655483
Energy: 0.5960098664075767
Energy: 0.6784743081200395
Energy: 0.6411109425552859
Energy: 0.6096179093445655
Energy: 0.6284231126695848
Energy: 0.6620674065000893
Energy: 0.5948751331479069
Energy: 0.6736790431827904
Energy: 0.6026348418463011
Energy: 0.6261289321238851
Energy: 0.6308964653020377
Energy: 0.6296036605233146
Energy: 0.6264296584505555
Energy: 0.676756870724155
Energy: 0.6253791411990574
Energy: 0.5981619054604825
Energy: 0.6475749393818748
Energy: 0.627354424483803
Energy: 0.5981316000725521
Energy: 0.6551008426617956
Energy: 0.6212632573322436
Energy: 0.6241931265932671
Energy: 0.6456742858407133
Energy: 0.6349753939939533
Energy: 0.6229869834565371
Energy: 0.6551575324684813
Energy: 0.617708829453416
Energy: 0.6177342801750109
Energy: 0.6445183185185589
Energy: 0.617140566319826
Energy: 0.6131497937730012
Energy: 0.678131262011082
Energy: 0.5956574576833296
Energy: 0.5947072994881036
Energy: 0.6103991361066833
Energy: 0.5995124580457367
Energy: 0.6294538416876604
Energy: 0.6874081278361653
Energy: 0.6186151749307304
Energy: 0.6199783943067882
Energy: 0.6447588319087246
Energy: 0.6173838508854737
Energy: 0.6135256822008801
Energy: 0.6844248907241781
Energy: 0.6245746990136709
Energy: 0.6122066178368782
Energy: 0.619603757597899
Energy: 0.6226635949497604
Energy: 0.6137139403297537
Energy: 0.687374584800483
Energy: 0.6339389075740219
Energy: 0.6113539653350225
Energy: 0.6107235473588545
Energy: 0.633427465661363
Energy: 0.6110931584976056
Energy: 0.7147918162090097
Energy: 0.5956157890997427
Energy: 0.6254983545182742
Energy: 0.621391700865493
Energy: 0.6374130720302068
Energy: 0.5927013543743906

minimum gb energy = 0.584461424459703 eV
minimum distance =  2.56534626982817 Angstroms
sigma value = 57


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

Energy: 0.5845772126948169
Energy: 0.545652098919622
Energy: 0.3025915602063331
Energy: 0.3020610625120481
Energy: 0.5070980436679957
Energy: 0.5618948741877481
Energy: 0.5618809391618272
Energy: 0.5318092302141693
Energy: 0.5287264720494949
Energy: 0.515370826674604
Energy: 0.5314658959776453
Energy: 0.5349317280884801
Energy: 0.7435197032268455
Energy: 0.6838953424780732
Energy: 0.5342245956731599
Energy: 0.5118191463690113
Energy: 0.5167838128873918
Energy: 0.6822614147347221
Energy: 0.7434916551831902
Energy: 0.6885359202203476
Energy: 0.6674952427022922
Energy: 0.6677892193353423
Energy: 0.516337590914954
Energy: 0.6655302420617071
Energy: 0.7416501882039146
Energy: 0.4382328141203402
Energy: 0.41800897221165073
Energy: 0.5461150310621942
Energy: 0.30232602160276006
Energy: 0.672705039587775
Energy: 0.6605923752370315
Energy: 0.4413807971188474
Energy: 0.43881443822287897
Energy: 0.6835393206446968
Energy: 0.30728138430732505
Energy: 0.32616763770591223
Energy: 0.6861631107742108
Energy: 0.67590740132146
Energy: 0.6750348849033215
Energy: 0.6623489687963059
Energy: 0.6952277410129559
Energy: 0.6725634879655253
Energy: 0.722720148635001
Energy: 0.766516863235922
Energy: 0.774727568797044
Energy: 0.6836875836978029
Energy: 0.7899005317118871
Energy: 0.6859069490696579
Energy: 0.7808797470772479
Energy: 0.7815366499431381
Energy: 0.7749245458405607
Energy: 0.7987181504559183
Energy: 0.7914045906959809
Energy: 0.782741152839188
Energy: 0.3009920355884964
Energy: 0.7641861020391993
Energy: 0.30339778266933193
Energy: 0.3013349913504027
Energy: 0.795860400520887
Energy: 0.3219576616308566
Energy: 0.30102306307329196
Energy: 0.7868858700509291
Energy: 0.7940474427156484
Energy: 0.3015886626740794
Energy: 0.7763500480475899
Energy: 0.30271613458266033
Energy: 0.7817189610853208
Energy: 0.7872874338201058
Energy: 0.7791760806474824
Energy: 0.7717406624593292
Energy: 0.7777887785846783
Energy: 0.774489217677113
Energy: 0.6984547237766886
Energy: 0.6648308188689652
Energy: 0.6773881454808767
Energy: 0.7090302298477638
Energy: 0.7273679032060012
Energy: 0.7842652803895003
Energy: 0.7003492169862596
Energy: 0.6844045836858554
Energy: 0.6784678472396433
Energy: 0.7007827516969883
Energy: 0.7077908750584512
Energy: 0.6777545547505609
Energy: 0.6790781121478497
Energy: 0.3108798541110671
Energy: 0.3029129288107833
Energy: 0.6871349389890763
Energy: 0.4429782373549869
Energy: 0.4456611758690789
Energy: 0.7119083661362217
Energy: 0.6587034402896543
Energy: 0.6607430538766734
Energy: 0.6636887776486213
Energy: 0.4413777696673542
Energy: 0.6854363039726101
Energy: 0.713188715659137
Energy: 0.5228480634554344
Energy: 0.5315166234111199
Energy: 0.541164474713629
Energy: 0.5247517391384379
Energy: 0.7135200630962804
Energy: 0.743223824843918
Energy: 0.5258597034811724
Energy: 0.5352547491947439
Energy: 0.5161136695706233
Energy: 0.5125348198621758
Energy: 0.5413957070574001
Energy: 0.5839470376958834
Energy: 0.5310598835652262
Energy: 0.5253964253893475
Energy: 0.30182821601278276
Energy: 0.5167853258610622
Energy: 0.5248708911316962

minimum gb energy = 0.3009920355884964 eV
minimum distance =  2.5482915461004 Angstroms
sigma value = 11


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

Energy: 1.2895401376503601
Energy: 0.5098525291378566
Energy: 0.607819336788244
Energy: 0.5337757887921039
Energy: 0.5086064830593799
Energy: 0.5882763468875486
Energy: 0.5171224657600515
Energy: 0.508824244451104
Energy: 0.5110938330744207
Energy: 0.5041206214656796
Energy: 0.5058395149260605
Energy: 0.5027980889355623
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Energy: 0.5153406787171418
Energy: 0.5079070071685929
Energy: 0.5079604809463112
Energy: 0.5145351969154146
Energy: 0.5045005959203627
Energy: 0.5077500909971675
Energy: 0.5232744468146311
Energy: 0.5029425546040616
Energy: 0.5076804643657817
Energy: 0.5083645689060426
Energy: 0.5111132568517649
Energy: 0.5012713322167449
Energy: 0.5869135275269217
Energy: 0.5887026619364393
Energy: 0.5154770222187388
Energy: 0.5422306761904848
Energy: 0.5095032721521532
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Energy: 0.5578954889251772
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Energy: 0.5862002197826198
Energy: 0.5490563603234465
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Energy: 0.5044399119502575
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Energy: 0.5199172678556467
Energy: 0.5233619801600099
Energy: 0.5209839477179168
Energy: 0.519363272915665
Energy: 0.5223919896929472
Energy: 0.5090240615643428
Energy: 0.5492883782996016
Energy: 0.5096535780517355
Energy: 0.5021897652663246
Energy: 0.5156055335395487
Energy: 0.5061104331030025
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Energy: 0.5792261922528641
Energy: 0.5426988929853975
Energy: 0.5550250278933375
Energy: 0.5149942300781638
Energy: 0.5426667505348836
Energy: 0.5575205977408988
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Energy: 0.5438415839986693
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Energy: 0.4861978237017316
Energy: 0.5294746365404532
Energy: 0.49303359388030565
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Energy: 0.6185633977811813
Energy: 0.5869636429209932
Energy: 0.5840842640823933
Energy: 0.5841520194728475
Energy: 0.5888257553112882
Energy: 0.5862677869450431
Energy: 0.6206134067891662
Energy: 0.5297989239722676
Energy: 0.5323503152876152
Energy: 0.5633666658491617
Energy: 0.5288135702174465
Energy: 0.6835508823646335
Energy: 0.7805860931693038
Energy: 0.5892078346194595
Energy: 0.5866148473863368
Energy: 0.5850113644123658
Energy: 0.5926193419380158
Energy: 0.5850570987823707
Energy: 0.8703523604212049
Energy: 0.5547351424149414
Energy: 0.5049106296895416
Energy: 0.5164483148713965
Energy: 0.5548969095998824
Energy: 0.4868741834806667
Energy: 0.5900257713077436
Energy: 0.5435059856487664
Energy: 0.588368858722813
Energy: 0.4868712533421662
Energy: 0.5420134534355521
Energy: 0.5877294366820666
Energy: 0.5790853121189136
Energy: 0.5088281357410689
Energy: 0.5612395951772128
Energy: 0.5146420907024637
Energy: 0.5070380333699069
Energy: 0.5593281020200213
Energy: 0.6946901220968422
Energy: 0.5172409416875315
Energy: 0.517534145651618
Energy: 0.5123301419302427
Energy: 0.6146804258688457
Energy: 0.5064262702630469
Energy: 0.7800224380938506
Energy: 0.5547179047918891
Energy: 0.5460062658712576
Energy: 0.5514666682575651
Energy: 0.5876025459402062
Energy: 0.5441383866555867
Energy: 0.7159014239916445
Energy: 0.525654475012089
Energy: 0.4931338433996333
Energy: 0.7488139013979034
Energy: 0.5277432433959975
Energy: 0.5915817912089247
Energy: 0.505012323005105
Energy: 0.5550934655146735
Energy: 0.5470976840206575
Energy: 0.5426938551456625
Energy: 0.5531041971075472
Energy: 0.5451782088942825
Energy: 0.505055202613858
Energy: 0.5095629723424578
Energy: 0.5046129145282499
Energy: 0.5047998968263181
Energy: 0.5090652423554355
Energy: 0.5059587832459849
Energy: 0.5285724540153159
Energy: 0.5083221725708001
Energy: 0.5135904800352299
Energy: 0.5102289761809299
Energy: 0.5064710675571347
Energy: 0.5039109357262819
Energy: 0.5805470265301071
Energy: 0.5065215064886113
Energy: 0.5090295854242753
Energy: 0.5407564813820436
Energy: 0.503712036118783
Energy: 0.5512774607716519

minimum gb energy = 0.4861978237017316 eV
minimum distance =  2.56600962392859 Angstroms
sigma value = 41


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

Energy: 1.207703906037705
Energy: 0.5948575820595412
Energy: 0.5920821100937702
Energy: 0.5511675878811371
Energy: 0.5603808555966542
Energy: 0.5500773697248185
Energy: 0.6286072288247704
Energy: 0.5454589753430402
Energy: 0.5441304226172636
Energy: 0.5477749154995217
Energy: 0.5627304388309401
Energy: 0.5441921469306341
Energy: 0.5486069475497285
Energy: 0.544942046649445
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Energy: 0.54920195789306
Energy: 0.5469868277289573
Energy: 0.5444119669166956
Energy: 0.54807998158871
Energy: 0.544997333736744
Energy: 0.5448897761460377
Energy: 0.548407723473905
Energy: 0.5491089662502975
Energy: 0.5489504038299069
Energy: 0.5463251902571713
Energy: 0.5450185881554955
Energy: 0.5513697836439739
Energy: 0.5619219012004137
Energy: 0.5445547310396367
Energy: 0.5505048071545394
Energy: 0.6165061026567281
Energy: 0.549815769471306
Energy: 0.54944609752079
Energy: 0.5619375840459462
Energy: 0.5513441891530304
Energy: 0.544525905961236
Energy: 0.6162738915494339
Energy: 0.5487204412628396
Energy: 0.549878173094198
Energy: 0.5479246915917211
Energy: 0.5510673816695644
Energy: 0.5467494001790142
Energy: 0.5703637538506684
Energy: 0.5857900098861482
Energy: 0.5801818991430026
Energy: 0.5215133289447401
Energy: 0.5858935814074894
Energy: 0.5409783305856618
Energy: 0.6168705608817799
Energy: 0.5463149493002465
Energy: 0.5445928758307975
Energy: 0.5641195285019722
Energy: 0.5497516807043029
Energy: 0.5445037817468359
Energy: 0.8462393443601177
Energy: 0.5452822019010543
Energy: 0.5470285933778554
Energy: 0.5485868034326815
Energy: 0.5508301716945483
Energy: 0.5497427672006084
Energy: 0.6166236115296175
Energy: 0.5503867879351396
Energy: 0.5440318510706886
Energy: 0.5498918515808336
Energy: 0.550096989690713
Energy: 0.5435957635641933
Energy: 0.6831912430459088
Energy: 0.521767371918755
Energy: 0.5215463416121223
Energy: 0.5454905188148409
Energy: 0.5234725527970966
Energy: 0.5456901580563961
Energy: 0.5507245160093461
Energy: 0.5218181554155695
Energy: 0.5218364001689866
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Energy: 0.5231596428370194
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Energy: 0.5509956467737368
Energy: 0.5506298893011041
Energy: 0.5445473427138903
Energy: 0.5486821517162019
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Energy: 0.5688587150395619
Energy: 0.5698106075882999
Energy: 0.58715244627594
Energy: 0.5446209864054546
Energy: 0.5780399163184037
Energy: 0.5474035728467547
Energy: 0.5469242116502088
Energy: 0.5457683572682264
Energy: 0.563214186814563
Energy: 0.5634033361885485
Energy: 0.5464564817265286
Energy: 1.1214974269519429
Energy: 0.5528974398859833
Energy: 0.5564032846758594
Energy: 0.5234988398457695
Energy: 0.5490568489660773
Energy: 0.5218161902754066
Energy: 0.5706511355984668
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Energy: 0.5493236628610442
Energy: 0.5182101865785879
Energy: 0.5588799072670128
Energy: 0.5225910480265321
Energy: 0.5501769886272573
Energy: 0.546361651229775
Energy: 0.5458252209990844
Energy: 0.5490417717786047
Energy: 0.5495869596516613
Energy: 0.5460610644859525
Energy: 0.547511863850545
Energy: 0.544918262728448
Energy: 0.5458733633771109
Energy: 0.5490474208422638
Energy: 0.5501492475046933
Energy: 0.5466356939324476
Energy: 0.5468663434365867
Energy: 0.5454196650072626
Energy: 0.5442422027988933
Energy: 0.5635030214183819
Energy: 0.5476528503077072
Energy: 0.5440076193896861
Energy: 0.5920642863480589
Energy: 0.5458691647979641
Energy: 0.5903542012690361
Energy: 0.9110745133307284
Energy: 0.546524040715982
Energy: 0.5775585318131449
Energy: 0.6166538056316717
Energy: 0.5469404029383494
Energy: 0.5455274195861651
Energy: 0.5627118048306965
Energy: 0.548125199589088
Energy: 0.5449685599565214
Energy: 0.5706146078966456
Energy: 0.5862041001346924
Energy: 0.5459348967692211
Energy: 0.521649000469534
Energy: 0.5866036336082054
Energy: 0.5429516117092993
Energy: 0.6166450465385539
Energy: 0.5483178993196554
Energy: 0.5503232443925223
Energy: 0.5634868950789106
Energy: 0.5491955561936465
Energy: 0.5473963901437837
Energy: 0.6163864969710269
Energy: 0.5510027249352617
Energy: 0.5446965605385973
Energy: 0.5504484006033077
Energy: 0.5538991621673864
Energy: 0.5442202616183802
Energy: 0.6157946536389652
Energy: 0.5434659052785973
Energy: 0.5468841368369742
Energy: 0.5483082405198609
Energy: 0.5512755162720746
Energy: 0.5496905303598878
Energy: 0.616625170885289
Energy: 0.5552704754304805
Energy: 0.5505619455176399
Energy: 0.5631373309445523
Energy: 0.538327001864425
Energy: 0.5545781166670125
Energy: 0.5500467626831055
Energy: 0.5214975132148054
Energy: 0.5212950430010701
Energy: 0.5763005700250479
Energy: 0.5226396659335718
Energy: 0.521857806006726
Energy: 0.5511931782149126
Energy: 0.5521201267482861
Energy: 0.5503562515868196
Energy: 0.5468372955543265
Energy: 0.5507410859188053
Energy: 0.5508658268729775
Energy: 0.5499416097080644
Energy: 0.5446766873924295
Energy: 0.544036658404444
Energy: 0.5504387679177569
Energy: 0.5480247340614637
Energy: 0.5440917502210348
Energy: 0.548444924938167
Energy: 0.5436683086695104
Energy: 0.5482567426765962
Energy: 0.5635906911238624
Energy: 0.5488989536271024
Energy: 0.5458609227972855
Energy: 0.6578292896583365
Energy: 0.5489882123301998
Energy: 0.5232777010737809
Energy: 0.5328228822879215
Energy: 0.5478287951063042
Energy: 0.5229339442056246

minimum gb energy = 0.5182101865785879 eV
minimum distance =  2.57814877909792 Angstroms
sigma value = 33


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

Energy: 0.7943271749684125
Energy: 0.6478275057685641
Energy: 0.5916369969189916
Energy: 0.584546026506888
Energy: 0.6766121492603544
Energy: 0.6476325977275758
Energy: 0.6738564505408464
Energy: 0.5957136209865987
Energy: 0.5959013187907604
Energy: 0.6124916242970628
Energy: 0.5988585167988175
Energy: 0.5959739246918906
Energy: 0.6794608061468044
Energy: 0.6636102480858423
Energy: 0.6004006206482035
Energy: 0.6749193296219362
Energy: 0.5963687561991184
Energy: 0.6648456294313105
Energy: 0.6778458131370979
Energy: 0.5976916699567386
Energy: 0.6588520441611839
Energy: 0.6722929234431196
Energy: 0.6011308039441686
Energy: 0.5999814564774161
Energy: 0.6778459495181987
Energy: 0.6318383739823716
Energy: 0.5834748890259415
Energy: 0.7034044816818201
Energy: 0.6475832594678886
Energy: 0.5849437535421326
Energy: 0.7231960802508627
Energy: 0.6334936025012091
Energy: 0.6400782068508302
Energy: 0.6934501467223741
Energy: 0.6346119943140435
Energy: 0.6333362206266124
Energy: 0.7288543433151821
Energy: 0.6266292436398024
Energy: 0.6289134436567483
Energy: 0.6104071362238996
Energy: 0.6586860521570455
Energy: 0.6037002821277335
Energy: 0.6915310628646352
Energy: 0.7024374941265216
Energy: 0.6366096842831644
Energy: 0.6120790760797865
Energy: 0.6267576700325643
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Energy: 0.7309481740919268
Energy: 0.6644877571981093
Energy: 0.6602043550575284
Energy: 0.6544350016062899
Energy: 0.6591980816373836
Energy: 0.6576797360787849
Energy: 0.7881979153357275
Energy: 0.6828594469585124
Energy: 0.6828925177813618
Energy: 0.6742329118282153
Energy: 0.6759003649246386
Energy: 0.6815106416583283
Energy: 0.7309610019919278
Energy: 0.685741570869549
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Energy: 0.6600788479236323
Energy: 0.7296633616177945
Energy: 0.5672056498177462
Energy: 0.5670576478898562
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Energy: 0.5748001694496785
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Energy: 0.7390550102326439
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Energy: 0.6609952264215959
Energy: 0.6828487599354311
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Energy: 0.6604844035525065
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Energy: 0.6917964594154962
Energy: 0.6917014516706272
Energy: 0.6770802906735637
Energy: 0.681100500850108
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Energy: 0.6947293748781086
Energy: 0.6873879571833829
Energy: 0.6632924823394551
Energy: 0.6803228687175593
Energy: 0.6882472411410613
Energy: 0.6639301549946222
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Energy: 0.699995453323728
Energy: 0.6300000857584573
Energy: 0.6350067560548553
Energy: 0.7173607862103873
Energy: 0.63918519237183
Energy: 0.6968842837797875
Energy: 0.696171072948486
Energy: 0.6952003626148631
Energy: 0.6504876575176165
Energy: 0.7027401942622636
Energy: 0.6890421951195396
Energy: 0.7420326437470356
Energy: 0.6184782810243907
Energy: 0.6117199721799256
Energy: 0.6671982026482254
Energy: 0.6116451185248378
Energy: 0.6819746084988525
Energy: 0.6607113047194927
Energy: 0.6211484808292573
Energy: 0.6120090011846875
Energy: 0.6592771160689914
Energy: 0.6118890169590073
Energy: 0.6894603362416967
Energy: 0.6589995777561517
Energy: 0.6539446013365516
Energy: 0.6598551956658459
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Energy: 0.7317538181812304
Energy: 0.6816310353703608
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Energy: 0.6866568633806491
Energy: 0.6803234394840428
Energy: 0.6759560338270513
Energy: 0.6992989345086396
Energy: 0.679453926431081
Energy: 0.6635995808099837
Energy: 0.6714712881282059
Energy: 0.6810606573951206
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Energy: 0.5677229595401628
Energy: 0.5687747227219375
Energy: 0.6888261830499549
Energy: 0.5673489942129727
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Energy: 0.6647989360990089
Energy: 0.6986696957340712
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Energy: 0.6777802939579795
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Energy: 0.6986800039957989
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Energy: 0.6686739044379815
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Energy: 0.694244730018023
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Energy: 0.75087100349589
Energy: 0.6177919692621097
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Energy: 0.5857559144944914
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Energy: 0.5827059580856211
Energy: 0.5848250875186327
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Energy: 0.683710835056299
Energy: 0.6162383939907653
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Energy: 0.6768442501587104
Energy: 0.5962161265715044
Energy: 0.5978654516514741
Energy: 0.6045202009099733
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Energy: 0.5972617634592484
Energy: 0.822518276771962
Energy: 0.5858214055407469
Energy: 0.5672423216342344
Energy: 0.5683393336313384
Energy: 0.5845956134628763
Energy: 0.6187279840652743

minimum gb energy = 0.5663123826955762 eV
minimum distance =  2.57666903773841 Angstroms
sigma value = 67


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

Energy: 0.8831963635283023
Energy: 0.6298012972296395
Energy: 0.6302339046523514
Energy: 0.6298526700608177
Energy: 0.6679195983528983
Energy: 0.6306966366311942
Energy: 0.7070652635056732
Energy: 0.6233948742696123
Energy: 0.6226679705916187
Energy: 0.6234263141033256
Energy: 0.6249830106346754
Energy: 0.6220567233260038
Energy: 0.6602692762351178
Energy: 0.6017952993155833
Energy: 0.6273154479989269
Energy: 0.6257429291489932
Energy: 0.6006199395370041
Energy: 0.6269857353771537
Energy: 0.6600392592799418
Energy: 0.6245207086310584
Energy: 0.6251639799950545
Energy: 0.6235325880585424
Energy: 0.6242999895536828
Energy: 0.6252819650270899
Energy: 0.6573351366964633
Energy: 0.6248140050392909
Energy: 0.6252610451918298
Energy: 0.6284595271422657
Energy: 0.6247253310405392
Energy: 0.6257180018968249
Energy: 0.6588940022712677
Energy: 0.6254222689175784
Energy: 0.628098733212026
Energy: 0.6281420918034465
Energy: 0.6253902333288196
Energy: 0.6283533635671391
Energy: 0.7070261891282682
Energy: 0.6244645863377898
Energy: 0.6228125134836588
Energy: 0.5985534738336408
Energy: 0.6246531512910154
Energy: 0.6223441146679985

minimum gb energy = 0.5985534738336408 eV
minimum distance =  2.62985730140922 Angstroms
sigma value = 3


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

Energy: 0.9452091109622383
Energy: 0.7195012120891323
Energy: 0.7212074713224886
Energy: 0.7607960427338006
Energy: 0.8248896248053489
Energy: 0.7204185150439688
Energy: 0.7280636242689354
Energy: 0.7406484428359371
Energy: 0.7200110955131983
Energy: 0.7402825586017693
Energy: 0.7428977176545343
Energy: 0.7126170431505107
Energy: 0.7549598174969784
Energy: 0.7306477592210501
Energy: 0.7292446779603062
Energy: 0.7560860090264346
Energy: 0.7285874807444445
Energy: 0.7167985543899189
Energy: 0.7136448432183328
Energy: 0.7130514591194926
Energy: 0.713655119604691
Energy: 0.7146728337285998
Energy: 0.7237149952855528
Energy: 0.7152562680874144
Energy: 0.7246286566735285
Energy: 0.7097231361908305
Energy: 0.7098942023726628
Energy: 0.7246783701312678
Energy: 0.7108729390907601
Energy: 0.7170432723962182
Energy: 0.7126957930720897
Energy: 0.709197704900949
Energy: 0.7100021407851482
Energy: 0.713761662885772
Energy: 0.7098658278554444
Energy: 0.7164081820070657
Energy: 0.7124117523146594
Energy: 0.7163098152902756
Energy: 0.7154229221960641
Energy: 0.7106720386915166
Energy: 0.7222179276780397
Energy: 0.7228876315161927
Energy: 0.8856668594933321
Energy: 0.7527549086793685
Energy: 0.7476217169287527
Energy: 0.7537388488528851
Energy: 0.7222675768168351
Energy: 0.7477731309287277
Energy: 0.7167963213692681
Energy: 0.7197594210047471
Energy: 0.7063599861814309
Energy: 0.7139481785207532
Energy: 0.7049954835658628
Energy: 0.7346131719221217
Energy: 0.7132459968628398
Energy: 0.7030963286382935
Energy: 0.701559476203835
Energy: 0.7109818796816874
Energy: 0.7018018550734048
Energy: 0.7267531091719555
Energy: 0.7198900283821676
Energy: 0.7331729963768876
Energy: 0.7305853029846384
Energy: 0.7227515015569667
Energy: 0.7022174047381589
Energy: 0.7203069952373529
Energy: 0.7547458933042935
Energy: 0.7135902889183966
Energy: 0.7105042892180652
Energy: 0.7166574932809399
Energy: 0.7222096989746684
Energy: 0.7096562534283793
Energy: 0.723414564272004
Energy: 0.7124100028074739
Energy: 0.7132707759564857
Energy: 0.6998172423534986
Energy: 0.7126401100438541
Energy: 0.7155163971783934
Energy: 0.718614283671979
Energy: 0.7174612991647307
Energy: 0.7158431802443912
Energy: 0.7177084795112705
Energy: 0.7141340338028559
Energy: 0.7125181157540185
Energy: 0.7538075890332996
Energy: 0.7581446789398392
Energy: 0.7553269112778765
Energy: 0.715516314897534
Energy: 0.7572412895440889
Energy: 0.7168157259912661
Energy: 0.751224228999344
Energy: 0.7357788899482759
Energy: 0.739490830274234
Energy: 0.7426658479225197
Energy: 0.741308076700395
Energy: 0.7402482882750002
Energy: 0.8287246774076166
Energy: 0.7171829090014458
Energy: 0.7170641136447058
Energy: 0.7356304104544776
Energy: 0.7161915996659978
Energy: 0.7445864231312487
Energy: 0.7153911838508512
Energy: 0.7372506198242036
Energy: 0.7465160277542455
Energy: 0.7110503171714976
Energy: 0.742093729575528
Energy: 0.7240657781633392
Energy: 0.8556159291252935
Energy: 0.7131268415903556
Energy: 0.7160074566862535
Energy: 0.7662978111587578
Energy: 0.750111508331504
Energy: 0.6993828212650264
Energy: 0.784508203488543
Energy: 0.7188937364430205
Energy: 0.7155698833872542
Energy: 0.7375320989141274
Energy: 0.7110527522233556
Energy: 0.7006888776721089
Energy: 0.7106487233590167
Energy: 0.7150664893533707
Energy: 0.7246067673924695
Energy: 0.7108325115944977
Energy: 0.7119080093068504
Energy: 0.7242639569002042
Energy: 0.7119059012717863
Energy: 0.713255728951415
Energy: 0.7132713953679382
Energy: 0.7169551350256032
Energy: 0.7133583563113597
Energy: 0.7129853037635164
Energy: 0.7170517771976432
Energy: 0.7198830152653931
Energy: 0.7181835585301344
Energy: 0.7179233389875013
Energy: 0.710613623917627
Energy: 0.7179678003979371
Energy: 0.7103754335209602
Energy: 0.7179670344043321
Energy: 0.7176081476902306
Energy: 0.7104922328221228
Energy: 0.7169586650795042
Energy: 0.7189484965086765
Energy: 0.7128839385040252
Energy: 0.7115878478307214
Energy: 0.7418296426055451
Energy: 0.7386201196590931
Energy: 0.7132738466223152
Energy: 0.7439347972556936
Energy: 0.8539290898399915
Energy: 0.757126860240748
Energy: 0.752451908360692
Energy: 0.7270730608998258
Energy: 0.7536436082570773
Energy: 0.7272484391257521
Energy: 0.6986500210969898
Energy: 0.7511147480627912
Energy: 0.7287016847302046
Energy: 0.7288848962883787
Energy: 0.7467425308599831
Energy: 0.7269899985194566
Energy: 0.7140622136448546
Energy: 0.740776903886313
Energy: 0.7439291177832204
Energy: 0.7427683010689615
Energy: 0.7382995053013394
Energy: 0.7449083096736405
Energy: 0.7169472459716695
Energy: 0.7310052533003226
Energy: 0.7305913447812286
Energy: 0.7169154908094086
Energy: 0.7308749522058465
Energy: 0.7182922120605423
Energy: 0.7133610580426976
Energy: 0.7184155444877658
Energy: 0.722520163751864
Energy: 0.7143100781334383
Energy: 0.7180157936334914
Energy: 0.7226026697280797
Energy: 0.7137420193520939
Energy: 0.7159422575477196
Energy: 0.7144094206488432
Energy: 0.714084097800593
Energy: 0.7161456721940368
Energy: 0.7153655534884554
Energy: 0.7215557742529617
Energy: 0.7164591275685399
Energy: 0.7071021540221514
Energy: 0.705053803250807
Energy: 0.7157203044627238
Energy: 0.708536485683175
Energy: 0.8675736960619399
Energy: 0.7434696374009098
Energy: 0.7450820316787645
Energy: 0.7142695008576421
Energy: 0.7255717824514867
Energy: 0.7153591322143648
Energy: 0.8130978701195091
Energy: 0.729835977938678
Energy: 0.7088503391478352
Energy: 0.7481407837925362
Energy: 0.7085566217020496
Energy: 0.7084630327347896
Energy: 0.7128130831057917
Energy: 0.7205613423664602
Energy: 0.7228179774849626
Energy: 0.7043251900394355
Energy: 0.7275698049654166
Energy: 0.7082966734879016
Energy: 0.7548820095810574
Energy: 0.7035079760514827
Energy: 0.7025693490843878
Energy: 0.7387020119167964
Energy: 0.7019442563547411
Energy: 0.7257870987771717
Energy: 0.7555665949530436
Energy: 0.7206516690452757
Energy: 0.7252446886446535
Energy: 0.7153817952109475
Energy: 0.704819947408276
Energy: 0.7073257139294585
Energy: 0.7215514378502104
Energy: 0.7156021909309065
Energy: 0.7147926706525436
Energy: 0.6985309133860945
Energy: 0.7166135008076079
Energy: 0.8014766598297394
Energy: 0.7088277446820404
Energy: 0.7206617385397138
Energy: 0.7130847853086596
Energy: 0.7169342115481401
Energy: 0.7166229351850361
Energy: 0.7088201402038181
Energy: 0.7563446989177536
Energy: 0.7175522862797064
Energy: 0.7175846034302118
Energy: 0.7129911032628192
Energy: 0.7169915708930167
Energy: 0.7172064160752515
Energy: 0.7538614972754231
Energy: 0.7452663314983088
Energy: 0.7471686157617324
Energy: 0.738328620095914
Energy: 0.7468554509028374
Energy: 0.7467845594445376
Energy: 0.8027872683277285
Energy: 0.7255425721847218
Energy: 0.7139469260143694
Energy: 0.705086841997226
Energy: 0.7116804235375269
Energy: 0.7139874849959259
Energy: 0.805016623655643
Energy: 0.7146601720690704
Energy: 0.7152774955815149
Energy: 0.748724880745932
Energy: 0.7151769699020947
Energy: 0.7415633898105728
Energy: 0.715566572389358
Energy: 0.7377242398643272
Energy: 0.7377702011401033
Energy: 0.712746837306987
Energy: 0.7442511479386184
Energy: 0.7428114704557719
Energy: 1.0066423683297612
Energy: 0.7107412935866222
Energy: 0.7408080823703045
Energy: 0.7498490741613598
Energy: 0.7110465739906306
Energy: 0.7419205775353865
Energy: 0.7184240128409584
Energy: 0.7148184718615558
Energy: 0.7133342025838262
Energy: 0.7146880193723006
Energy: 0.713469297833233
Energy: 0.7163404343433605
Energy: 0.7118039379816352
Energy: 0.7150740189178633
Energy: 0.7141606181772566
Energy: 0.7145892402006991
Energy: 0.7169317831037149
Energy: 0.7132084098423458
Energy: 0.7105036166236507
Energy: 0.7180087401193225
Energy: 0.7150078831901295
Energy: 0.7131985126471644
Energy: 0.7148719741287839
Energy: 0.7271315618468788
Energy: 0.7097056966573567
Energy: 0.713334976644244
Energy: 0.7140657130062052
Energy: 0.7103755818693024
Energy: 0.7155927706936415
Energy: 0.7100882274204557
Energy: 0.7160237077391705
Energy: 0.7144813859166192
Energy: 0.7145492367910152
Energy: 0.72038994772894
Energy: 0.716388788375882
Energy: 0.7157964867278507
Energy: 0.7224711629723305
Energy: 0.7088286337723396
Energy: 0.7260493476674195
Energy: 0.7222885865419174
Energy: 0.7263207560877094
Energy: 0.7203271159770269

minimum gb energy = 0.6985309133860945 eV
minimum distance =  2.54635918605915 Angstroms
sigma value = 81


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

Energy: 1.5626444258851688
Energy: 0.7414162579584068
Energy: 0.7193873598007873
Energy: 0.7191912749938317
Energy: 0.7455940777046538
Energy: 0.7193776692382472
Energy: 0.6881021296472425
Energy: 0.7045463024266875
Energy: 0.7168465840373837
Energy: 0.736585019317585
Energy: 0.7051280153383243
Energy: 0.7256769249602631
Energy: 0.7362681820013286
Energy: 0.6831026845371903
Energy: 0.6833440102427097
Energy: 0.7442601253166982
Energy: 0.6872426682954167
Energy: 0.7389195857675781
Energy: 0.7146877093587292
Energy: 0.7057207369103105
Energy: 0.7185832956029481
Energy: 0.7150312686427742
Energy: 0.7054078308706091
Energy: 0.7116653250942886
Energy: 0.7164684066685006
Energy: 0.716636983795358
Energy: 0.7167090201187897
Energy: 0.7156564872494169
Energy: 0.7227558538043256
Energy: 0.7157189609776073
Energy: 0.7135975325485456
Energy: 0.7146342070921551
Energy: 0.7149043241610153
Energy: 0.7253041489826066
Energy: 0.7187745297704196
Energy: 0.7151027905087147
Energy: 0.701375910655796
Energy: 0.6898791166249372
Energy: 0.7181850630158338
Energy: 0.734574207238384
Energy: 0.6937398104993348
Energy: 0.7193990671755123
Energy: 0.9553232033528559
Energy: 0.7653704278774024
Energy: 0.7644766647327685
Energy: 0.6801152474516882
Energy: 0.763531228577714
Energy: 0.6879492673651135
Energy: 0.7017525474669052
Energy: 0.711474587145766
Energy: 0.7174619272187307
Energy: 0.7582571852519286
Energy: 0.6908396980199747
Energy: 0.7167260920172503
Energy: 0.7924100155297356
Energy: 0.7069076074137632
Energy: 0.7066910580964988
Energy: 0.7802270286325339
Energy: 0.7053267977524577
Energy: 0.7076676464834425
Energy: 0.7023572205404756
Energy: 0.7090370137095298
Energy: 0.71342436405449
Energy: 0.7086877563597833
Energy: 0.6920909058452921
Energy: 0.707908265023367
Energy: 0.7584520789667096
Energy: 0.6965903561205752
Energy: 0.7126344825277628
Energy: 0.7086688027228537
Energy: 0.6913432040908222
Energy: 0.7140096837355631
Energy: 0.7404748926200987
Energy: 0.7043044099001424
Energy: 0.713119032263046
Energy: 0.68637306934505
Energy: 0.6891774073527146
Energy: 0.6825742755128164
Energy: 0.7001361972666624
Energy: 0.7250303896103897
Energy: 0.7273954690089763
Energy: 0.7027351208888877
Energy: 0.6907107787045939
Energy: 0.7318252010429482
Energy: 0.8854054792699836
Energy: 0.7545422618690028
Energy: 0.7453282393589642
Energy: 0.73594474795646
Energy: 0.721965629160251
Energy: 0.7225070643598248
Energy: 0.7365928540888529
Energy: 0.7064259184349755
Energy: 0.7317192558783175
Energy: 0.7298614656888617
Energy: 0.7069280970450138
Energy: 0.7327808816102458
Energy: 0.8136819877399049
Energy: 0.680575816979321
Energy: 0.6797966628884459
Energy: 0.7502924417091519
Energy: 0.6804780880579087
Energy: 0.689378731487787
Energy: 0.6998052549791618
Energy: 0.7194764088769903
Energy: 0.7203589778643104
Energy: 0.7017428694381872
Energy: 0.7638374737332043
Energy: 0.6937030423589842
Energy: 0.8248745344360733
Energy: 0.712623360950142
Energy: 0.7127096747121703
Energy: 0.711322462564475
Energy: 0.7243288003241215
Energy: 0.7053757406749591
Energy: 0.700409057249922
Energy: 0.7111894391060807
Energy: 0.7114884476733403
Energy: 0.7118494852909018
Energy: 0.7243854742024921
Energy: 0.7024485047184973
Energy: 0.7000120970406719
Energy: 0.7223740390533869
Energy: 0.7173812296234647
Energy: 0.7014916198404502
Energy: 0.7126447012532392
Energy: 0.7221450232759352
Energy: 0.7277738199696304
Energy: 0.6949304134480692
Energy: 0.6816845063542621
Energy: 0.7225608249184107
Energy: 0.6825907491261232
Energy: 0.6821116758479026
Energy: 0.7302581451205847
Energy: 0.7032875516251211
Energy: 0.7303198823681958
Energy: 0.7240322688854355
Energy: 0.7036582056241147
Energy: 0.7296635106845785
Energy: 0.7310036083171334
Energy: 0.7259505603998458
Energy: 0.7175342552496373
Energy: 0.7245592903026281
Energy: 0.7233867931070641
Energy: 0.7249974183618159
Energy: 0.7015208444161526
Energy: 0.7347824199180465
Energy: 0.7334621968879034
Energy: 0.7406855457035942
Energy: 0.7266974706145772
Energy: 0.7324127961036975
Energy: 0.8283525944406425
Energy: 0.7572673587676372
Energy: 0.7566937737739536
Energy: 0.6869662096421489
Energy: 0.7575728244938792
Energy: 0.7565197655900852
Energy: 0.8296260630096416
Energy: 0.6902575734568638
Energy: 0.7138669258845355
Energy: 0.6861141664932573
Energy: 0.6897991871043917
Energy: 0.7146173826340162
Energy: 0.6990449149574219
Energy: 0.711253837945842
Energy: 0.7135500876101755
Energy: 0.707637607607264
Energy: 0.7053338386044754
Energy: 0.7053223857055362
Energy: 0.7387420546935816
Energy: 0.7064520161547766
Energy: 0.7070688273780363
Energy: 0.7197167474538967
Energy: 0.7086516822115277
Energy: 0.7079998791097412
Energy: 0.7066470362113989
Energy: 0.7103534240543126
Energy: 0.7113838129607054
Energy: 0.7087303421373042
Energy: 0.6910441614357169
Energy: 0.7159433842969547
Energy: 0.804646628655877
Energy: 0.7389712131652721
Energy: 0.721473042518177
Energy: 0.6861120024879468
Energy: 0.7385147240981507
Energy: 0.6826875436904458
Energy: 0.7062062457867729
Energy: 0.6898546429928124
Energy: 0.7150744368573567
Energy: 0.6894932365375875
Energy: 0.6895329751381564
Energy: 0.7141773825254197
Energy: 0.8021108643162623
Energy: 0.7065427587041813
Energy: 0.7220348921682018
Energy: 0.7248145358272816
Energy: 0.707368171731071
Energy: 0.7223558875060884
Energy: 0.7227703141285021
Energy: 0.7105720366471162
Energy: 0.7151395163328431
Energy: 0.7242958600642582
Energy: 0.7187844525737498
Energy: 0.7105048995766212
Energy: 0.7221540858952451
Energy: 0.7156977692353063
Energy: 0.7266342650595212
Energy: 0.7224602231336466
Energy: 0.6862333518260489
Energy: 0.720272450629153
Energy: 0.8362304974221241
Energy: 0.6803182882481797
Energy: 0.6805540847093666
Energy: 0.7978080263518494
Energy: 0.6807664476206273
Energy: 0.7548130243314813
Energy: 0.7132280470148197
Energy: 0.7051399688278391
Energy: 0.7156485191455153
Energy: 0.73487393169401
Energy: 0.7045890058041543
Energy: 0.7253103006866773
Energy: 0.8370180622512494
Energy: 0.7099228387840991
Energy: 0.719795670715952
Energy: 0.7160191933580611
Energy: 0.7109565569413917
Energy: 0.7194324340578124

minimum gb energy = 0.6797966628884459 eV
minimum distance =  2.56119634541495 Angstroms
sigma value = 43


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

Energy: 1.0565822590253362
Energy: 0.7197736239123146
Energy: 0.6987754879563028
Energy: 0.8045008209522972
Energy: 0.8314580562137659
Energy: 0.702138899707954
Energy: 0.6818155385656864
Energy: 0.6954895927260539
Energy: 0.6945242467427939
Energy: 0.7335439657040638
Energy: 0.6891001589248289
Energy: 0.6974966933237405
Energy: 0.689741933378556
Energy: 0.6842218730211723
Energy: 0.6816538303661848
Energy: 0.741319107105913
Energy: 0.683692277546838
Energy: 0.6919182778740566
Energy: 0.6914348960955606
Energy: 0.6837479201414194
Energy: 0.6963016806814981
Energy: 0.6915437171028294
Energy: 0.6948289656283417
Energy: 0.6961437365985206
Energy: 0.6907497293520976
Energy: 0.6977615061317686
Energy: 0.6958043747965025
Energy: 0.6949221304786718
Energy: 0.6969975514482288
Energy: 0.6968905840028343
Energy: 0.6914122708313686
Energy: 0.6970285027795884
Energy: 0.6966846260167001
Energy: 0.6965883155795289
Energy: 0.6979855096811436
Energy: 0.6968899407440672
Energy: 0.6929156989482395
Energy: 0.6965346817448238
Energy: 0.6972227468578455
Energy: 0.6984672150290806
Energy: 0.6920106015354907
Energy: 0.6977772057326885
Energy: 0.7774119212034915
Energy: 0.6889243353763712
Energy: 0.6888944120695699
Energy: 0.6943439424111195
Energy: 0.6889114480248323
Energy: 0.7327027341796101
Energy: 0.6893813178073753
Energy: 0.6887821642419127
Energy: 0.6968222800333762
Energy: 0.6893906651348032
Energy: 0.7324829339403774
Energy: 0.6960972774619362
Energy: 0.8524278029287311
Energy: 0.693594659893971
Energy: 0.6933207376140208
Energy: 0.7040845261365161
Energy: 0.6964312034766955
Energy: 0.693289596928963
Energy: 0.6959988321784403
Energy: 0.7016285363136731
Energy: 0.7086317833714765
Energy: 0.689366804324632
Energy: 0.7065982563240422
Energy: 0.7114587820581285
Energy: 0.6976367710771495
Energy: 0.6923549077711031
Energy: 0.6924206556864376
Energy: 0.6957171483943498
Energy: 0.6923536323823466
Energy: 0.6930587236920664
Energy: 0.8083320483105327
Energy: 0.6912977592839364
Energy: 0.7011290765091049
Energy: 0.6854585256335116
Energy: 0.6908792715496772
Energy: 0.7013610136387692
Energy: 0.6973454110774591
Energy: 0.6974166781417457
Energy: 0.6971493646071529
Energy: 0.6884794639023759
Energy: 0.6953664683620654
Energy: 0.6976508641438649
Energy: 0.7024626359952426
Energy: 0.6988007898495312
Energy: 0.7137389288690841
Energy: 0.7034980612515279
Energy: 0.6917255024345517
Energy: 0.7171494965212103
Energy: 0.6957105249758881
Energy: 0.6980324051226962
Energy: 0.7044812386273047
Energy: 0.6955590032560223
Energy: 0.699222548840342
Energy: 0.7042550489031417
Energy: 0.6966920628450025
Energy: 0.71181512450469
Energy: 0.7149467303126118
Energy: 0.6966384853640567
Energy: 0.697755544161055
Energy: 0.6961291729418544
Energy: 0.6954375540038911
Energy: 0.7013259749733383
Energy: 0.7091740057961609
Energy: 0.7166499097982053
Energy: 0.7084873990881111
Energy: 0.7075634830489271
Energy: 0.6898147438964571
Energy: 0.695347181114151
Energy: 0.7038081584283437
Energy: 0.7006101651720315
Energy: 0.6954854874858543
Energy: 0.6964812468296797
Energy: 0.7970038873926903
Energy: 0.6956547656980027
Energy: 0.7039917037847414
Energy: 0.699163089983032
Energy: 0.6959492239792202
Energy: 0.6928721805380146
Energy: 0.694762777553402
Energy: 0.7025916167319316
Energy: 0.7014733463222097
Energy: 0.7131399330719828
Energy: 0.6995469741307804
Energy: 0.7078003594917113
Energy: 0.7816533472295212
Energy: 0.7013674773423777
Energy: 0.7520587060325702
Energy: 0.7139741788792354
Energy: 0.6798598577410138
Energy: 0.7604574810216981
Energy: 0.7078093963661
Energy: 0.7019544800913042
Energy: 0.7019856425396522
Energy: 0.7024747766016917
Energy: 0.7179563551129954
Energy: 0.708857107254848
Energy: 0.7525579935625843
Energy: 0.6957259409341547
Energy: 0.695432193890445
Energy: 0.7076566145066344
Energy: 0.6967707034891204
Energy: 0.6957968350539627
Energy: 0.7085872953286511
Energy: 0.6951383850205758
Energy: 0.6955841367938531
Energy: 0.702511152568493
Energy: 0.6946207787976482
Energy: 0.7044754235429579
Energy: 0.7267015657641638
Energy: 0.7046913710861333
Energy: 0.7040780933044509
Energy: 0.691158930529221
Energy: 0.6963546303190692
Energy: 0.6989543056361731
Energy: 0.7267419048482066
Energy: 0.7042108886944692
Energy: 0.7051347654118773
Energy: 0.688341449985516
Energy: 0.7048390296682437
Energy: 0.7005738838652505
Energy: 0.7393180481661183
Energy: 0.6960194968340582
Energy: 0.6989836490144661
Energy: 0.6920657892746839
Energy: 0.6991459857146642
Energy: 0.6972977636702494
Energy: 0.6905786808135929
Energy: 0.6909892940147688
Energy: 0.6905509204188116
Energy: 0.6904617912748703
Energy: 0.6937822275197784
Energy: 0.6903603930037445
Energy: 0.6916541746279494
Energy: 0.6949422380611665
Energy: 0.697714774598805
Energy: 0.7327282291687721
Energy: 0.6895214477375575
Energy: 0.6976030198185017
Energy: 0.9413856485137969
Energy: 0.725647320820075
Energy: 0.7147101651332813
Energy: 0.7037342771914277
Energy: 0.7251683559939822
Energy: 0.6802786484817368

minimum gb energy = 0.6798598577410138 eV
minimum distance =  2.5580875286962 Angstroms
sigma value = 57


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

Energy: 1.041118905603668
Energy: 0.7997590328347524
Energy: 0.7063740849515291
Energy: 0.6723474300976636
Energy: 0.7649312663523882
Energy: 0.7725533112576504
Energy: 0.730046419886966
Energy: 0.7061864601474521
Energy: 0.6858274122469626
Energy: 0.7098804812767764
Energy: 0.6975603619853108
Energy: 0.6912690887302299
Energy: 0.8229012843130242
Energy: 0.7250300560485439
Energy: 0.7254645347663636
Energy: 0.6912698077202
Energy: 0.725288321850245
Energy: 0.7270353861571806
Energy: 0.8272874159435123
Energy: 0.7246209161952339
Energy: 0.7249701917412871
Energy: 0.6921301719083535
Energy: 0.7247873154604719
Energy: 0.6961515483873504
Energy: 0.8300213839962931
Energy: 0.7964659206363238
Energy: 0.8108674540701348
Energy: 0.6970427620520053
Energy: 0.6927934848907977
Energy: 0.6857424033659117
Energy: 0.7265686549880513
Energy: 0.7944029010959774
Energy: 0.7997237985430334
Energy: 0.8083830827453485
Energy: 0.7995473602587015
Energy: 0.7881147316260867
Energy: 0.8398429124433854
Energy: 0.8035473310637595
Energy: 0.8018830724833788
Energy: 0.8023258332821109
Energy: 0.8159343153281606
Energy: 0.8008925309369413
Energy: 0.7585725414126813
Energy: 0.8195153764129983
Energy: 0.8290423906908994
Energy: 0.7352096676551713
Energy: 0.8159734681135549
Energy: 0.8271363645831984
Energy: 0.839858694539188
Energy: 0.8085964222730451
Energy: 0.8086246995984367
Energy: 0.8118312664240065
Energy: 0.8172004519350082
Energy: 0.8095672706019644
Energy: 0.8263946464146977
Energy: 0.7434424241387101
Energy: 0.7652635902368101
Energy: 0.8047349828597393
Energy: 0.7512576273193328
Energy: 0.7670045332217313
Energy: 0.865348967936701
Energy: 0.7425024228593483
Energy: 0.8095397807009846
Energy: 0.8455298945513215
Energy: 0.7440797277055218
Energy: 0.8461758737883369
Energy: 0.6673178166292029
Energy: 0.8200739865850135
Energy: 0.8063851453415446
Energy: 0.667233166209075
Energy: 0.8194863373053317
Energy: 0.6566448304844309
Energy: 0.6653190739800863
Energy: 0.8179569756455186
Energy: 0.7255845075287606
Energy: 0.6562791240265035
Energy: 0.8171261013694398
Energy: 0.6621930332898969
Energy: 0.785147025516352
Energy: 0.8064022995137609
Energy: 0.8054181227654084
Energy: 0.853567176213284
Energy: 0.8097206091069673
Energy: 0.8045642436742728
Energy: 0.8265388248199514
Energy: 0.7341674281303351
Energy: 0.7438191588649343
Energy: 0.8444820107211632
Energy: 0.7264363478964103
Energy: 0.748098403010601
Energy: 0.8298440956248709
Energy: 0.8010152459023734
Energy: 0.8046425001194271
Energy: 0.8097697538372203
Energy: 0.8089899605864985
Energy: 0.8090515029086526
Energy: 0.833160048690919
Energy: 0.8047275510796676
Energy: 0.8053340572970237
Energy: 0.8027989689510171
Energy: 0.8066292689672667
Energy: 0.8035877300859602
Energy: 0.8333250372583049
Energy: 0.8005281143798237
Energy: 0.8158708401513446
Energy: 0.8070633738166629
Energy: 0.8013722808744197
Energy: 0.8125020727291916
Energy: 0.8392025982565079
Energy: 0.8142289219198293
Energy: 0.7953001732999142
Energy: 0.6909501302672768
Energy: 0.815533826311685
Energy: 0.7991569758009188
Energy: 0.8397564816695887
Energy: 0.8144863713589665
Energy: 0.8255578136799351
Energy: 0.7027389349546378
Energy: 0.8250649354605474
Energy: 0.7943835910803395
Energy: 0.8263955379795688
Energy: 0.6897168338582064
Energy: 0.8042562735605253
Energy: 0.6912790736010314
Energy: 0.6983577319748348
Energy: 0.70719495508936
Energy: 0.8965614208904751
Energy: 0.7579145632733567
Energy: 0.767194175374114
Energy: 0.6879895157142053
Energy: 0.7447722242250652
Energy: 0.7483156411039222
Energy: 0.8225669478734714
Energy: 0.7030586913359241
Energy: 0.6861676027794306
Energy: 0.6833949025924629
Energy: 0.6982421055858457
Energy: 0.6905316449128196
Energy: 0.7284074556759365
Energy: 0.6980834439358343
Energy: 0.7250969823752086
Energy: 0.656281124491428
Energy: 0.6994187934288849
Energy: 0.729680074934936

minimum gb energy = 0.6562791240265035 eV
minimum distance =  2.48753340984927 Angstroms
sigma value = 17


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

Energy: 0.7850926765785352
Energy: 0.83408076786955
Energy: 0.8321050464456569
Energy: 0.6703782844142977
Energy: 0.7251218571945836
Energy: 0.6691750166286538
Energy: 0.6731937919472258
Energy: 0.6893441208218364
Energy: 0.6894213126874227
Energy: 0.756526223048025
Energy: 0.7472875594356746
Energy: 0.6898626739286942
Energy: 0.7190438394865956
Energy: 0.6539274661799381
Energy: 0.6641856478790521
Energy: 0.7315496791095187
Energy: 0.6537961747135326
Energy: 0.6648469116344862
Energy: 0.7307816383243283
Energy: 0.6643530747438876
Energy: 0.668101962950058
Energy: 0.7310330187969366
Energy: 0.6571292461834778
Energy: 0.6908881214893166
Energy: 0.6578430044006651
Energy: 0.6473433832658928
Energy: 0.6481402492504779
Energy: 0.6581506066678597
Energy: 0.6520487889818762
Energy: 0.6401465545341447
Energy: 0.6663421762576729
Energy: 0.6511185746538022
Energy: 0.6519461560640663
Energy: 0.6268828194539887
Energy: 0.6546467393125791
Energy: 0.6255114650845185
Energy: 0.6496277669800218
Energy: 0.6486638253529496
Energy: 0.6386587543165811
Energy: 0.6555689276494744
Energy: 0.6527295477875686
Energy: 0.6359274335270334
Energy: 0.6474539464579017
Energy: 0.6240578550328969
Energy: 0.6242120570192924
Energy: 0.6242629866496214
Energy: 0.623483259324544
Energy: 0.624108316793136
Energy: 0.6509051951461313
Energy: 0.6220988224570859
Energy: 0.6216164926881456
Energy: 0.652518309057981
Energy: 0.6237590000345201
Energy: 0.6359879249445308
Energy: 0.6565416994051326
Energy: 0.6452680151256021
Energy: 0.645636761060438
Energy: 0.655770866146469
Energy: 0.6434745733415902
Energy: 0.6513647438802209
Energy: 0.624821186475119
Energy: 0.6399500166768183
Energy: 0.6399411763769468
Energy: 0.651987703271008
Energy: 0.6903568320270593
Energy: 0.6544196550505538
Energy: 0.6588813843322481
Energy: 0.7333857285846458
Energy: 0.6927519979209094
Energy: 0.6235039412860544
Energy: 0.7348278219872824
Energy: 0.6916398991827343
Energy: 0.6484872071667184
Energy: 0.7309038838597602
Energy: 0.7320035362820851
Energy: 0.6408927117026441
Energy: 0.7309587982140161
Energy: 0.7284522054319239
Energy: 0.7503779387402745
Energy: 0.7584925300460156
Energy: 0.6840811804076491
Energy: 0.7576010240656657
Energy: 0.7575365400949837
Energy: 0.6836137525907292
Energy: 0.7060192321335322
Energy: 0.7344272271102953
Energy: 0.7137722439198098
Energy: 0.7312313701508113
Energy: 0.7360131338421035
Energy: 0.7237602887043983
Energy: 0.7115245051830305
Energy: 0.7534888917904563
Energy: 0.6839029560388501
Energy: 0.7491713285482807
Energy: 0.7571140294576972
Energy: 0.6834775704468542
Energy: 0.6264795830395078
Energy: 0.7310640463530008
Energy: 0.7764794740491462
Energy: 0.6685748625857475
Energy: 0.731179533735449
Energy: 0.6603338440156191

minimum gb energy = 0.6216164926881456 eV
minimum distance =  2.5902043024463 Angstroms
sigma value = 17


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

Energy: 1.2002832634509861
Energy: 0.779675783177372
Energy: 0.6737170011758638
Energy: 0.6552788688114989
Energy: 0.7076097854830627
Energy: 0.6716008183020961
Energy: 0.667288909838799
Energy: 0.6151743524629543
Energy: 0.6145491369353056
Energy: 0.7175037969070668
Energy: 0.7008760276800492
Energy: 0.6714767667732647
Energy: 0.8767967964796638
Energy: 0.5897423195882467
Energy: 0.6327639652387981
Energy: 0.7400700756894032
Energy: 0.5898185685296897
Energy: 0.6460053121343532
Energy: 0.7400668163713886
Energy: 0.6502910475668856
Energy: 0.6522374859375762
Energy: 0.7580766168083041
Energy: 0.5948432101807604
Energy: 0.6666902748503457
Energy: 0.6425939524379158
Energy: 0.6143973403249026
Energy: 0.6154816798252435
Energy: 0.6430816833905862
Energy: 0.6323717159310206
Energy: 0.6144518538213622
Energy: 0.653773038955648
Energy: 0.6239549407571713
Energy: 0.5869082159563066
Energy: 0.5976850453149587
Energy: 0.6337016282732775
Energy: 0.5880601743550244
Energy: 0.589917685920216
Energy: 0.6329437625043972
Energy: 0.6350263402576283
Energy: 0.5815647569710658
Energy: 0.6368704923681414
Energy: 0.5792972673810793
Energy: 0.6196372052791391
Energy: 0.5741752002916081
Energy: 0.5827554100045957
Energy: 0.5805084667211469
Energy: 0.573500109662338
Energy: 0.5818867336712762
Energy: 0.5906783022182459
Energy: 0.5898128744175763
Energy: 0.5913331350685346
Energy: 0.5918947738609895
Energy: 0.5847135652487994
Energy: 0.5893830569776702
Energy: 0.5896974695356322
Energy: 0.5717301622282175
Energy: 0.5714382716252853
Energy: 0.5897550691096315
Energy: 0.5714024528661005
Energy: 0.5712070260836664
Energy: 0.6070093964378497
Energy: 0.5710152793290995
Energy: 0.5705990301454956
Energy: 0.5715041885714708
Energy: 0.589710939694206
Energy: 0.5704055621626292
Energy: 0.5923759085187199
Energy: 0.589441849429308
Energy: 0.5895348930835281
Energy: 0.6007803012940675
Energy: 0.594756452343808
Energy: 0.5919347192241448
Energy: 0.6073245754137494
Energy: 0.5827350797561106
Energy: 0.5840254742868461
Energy: 0.5804264228733773
Energy: 0.5821458083873977
Energy: 0.5788255177743066
Energy: 0.6331840202260915
Energy: 0.5810353809138542
Energy: 0.5799779977947643
Energy: 0.6343837591241951
Energy: 0.5804657422428018
Energy: 0.6343904281010955
Energy: 0.6340871135616069
Energy: 0.5846746023554494
Energy: 0.5861211440656721
Energy: 0.6335197724750332
Energy: 0.5827854593305766
Energy: 0.6130487004991773
Energy: 0.7362333636157004
Energy: 0.6239058684505733
Energy: 0.6220144452058571
Energy: 0.6321756249230459
Energy: 0.643790817920828
Energy: 0.6194001825155345
Energy: 0.5904962152434755
Energy: 0.738811294694835
Energy: 0.7196640673805511
Energy: 0.589531100833867
Energy: 0.744919172980262
Energy: 0.6144651896956445
Energy: 0.5907399143379339
Energy: 0.7328465440800199
Energy: 0.723496498646169
Energy: 0.6399294464423457
Energy: 0.7399353550278034
Energy: 0.6326986675691224
Energy: 0.7325679222248777
Energy: 0.7075432711190166
Energy: 0.6761512501457726
Energy: 0.6338434318331548
Energy: 0.6261342327649798
Energy: 0.6220472832445608
Energy: 0.8805065642897497
Energy: 0.6341348600563184
Energy: 0.6333704876163162
Energy: 0.7196125030908765
Energy: 0.6316191697955359
Energy: 0.696309804511489
Energy: 0.7969631490677904
Energy: 0.7043228921424528
Energy: 0.6712593269476955
Energy: 0.7157003204213707
Energy: 0.7196795714432457
Energy: 0.6147032730170233
Energy: 0.5997739235984972
Energy: 0.6990407244240473
Energy: 0.7528564258928843
Energy: 0.666971016592524
Energy: 0.6977008628173308
Energy: 0.660878335230756
Energy: 0.6019971666646015
Energy: 0.7246550662722032
Energy: 0.6163089634298927
Energy: 0.6004403092291297
Energy: 0.7413411628727241
Energy: 0.6808036783255124
Energy: 0.8703288778285571
Energy: 0.6425591490611496
Energy: 0.6722442300714323
Energy: 0.739652073003436
Energy: 0.6004624319835372
Energy: 0.7109577409261353
Energy: 0.738576589234871
Energy: 0.5927111511293524
Energy: 0.6355315069647909
Energy: 0.7386512695856112
Energy: 0.5933403831765608
Energy: 0.6363592709675375
Energy: 0.6436856199576343
Energy: 0.632797129469604
Energy: 0.6151854277406242
Energy: 0.6451564280098894
Energy: 0.6330085501994164
Energy: 0.6342038032312446
Energy: 0.5790071696646361
Energy: 0.6153452051677267
Energy: 0.6264374360143723
Energy: 0.5895227113898958
Energy: 0.6254648710975415
Energy: 0.5975286010460451
Energy: 0.5856298582982846
Energy: 0.6399300364801742
Energy: 0.6331448396988625
Energy: 0.5790965583190172
Energy: 0.6357071767076655
Energy: 0.6329347079723063
Energy: 0.6115572695113657
Energy: 0.5798322863761762
Energy: 0.58008353792767
Energy: 0.5784502953782962
Energy: 0.6340562363219358
Energy: 0.579846603114054
Energy: 0.5892640728871625
Energy: 0.5702637821972396
Energy: 0.5795966834555731
Energy: 0.5893289971658452
Energy: 0.5692453006762487
Energy: 0.5800523721474672
Energy: 0.5950913801580058
Energy: 0.5701031623761723
Energy: 0.569771364032261
Energy: 0.5959272017894375
Energy: 0.5698425478905763
Energy: 0.5691237286459218
Energy: 0.5874512582430205
Energy: 0.5706681551704618
Energy: 0.5702276835490437
Energy: 0.5710092733725961
Energy: 0.5698558922813298
Energy: 0.5701354696100915
Energy: 0.5989809442336717
Energy: 0.5957425497301688
Energy: 0.5895919299015407
Energy: 0.5996966027729862
Energy: 0.5910884375367357
Energy: 0.5894122113008018
Energy: 0.5861653181412201
Energy: 0.5856449270998202
Energy: 0.579159244631614
Energy: 0.5800494706773456
Energy: 0.5838203396832626
Energy: 0.5792347402442553
Energy: 0.6409539118066829
Energy: 0.5797997399550235
Energy: 0.5791820372858513
Energy: 0.6333159364966283
Energy: 0.5809207013103086
Energy: 0.5787064580341722
Energy: 0.6412734546615808
Energy: 0.5796716942159869
Energy: 0.6130019751317591
Energy: 0.6331071723531296
Energy: 0.5793722268259035
Energy: 0.6342806039032117
Energy: 0.82076125041705
Energy: 0.6084518424419476
Energy: 0.608524296954263
Energy: 0.6350257332763476
Energy: 0.6463485179155701
Energy: 0.6218987872241784
Energy: 0.5959876912614279
Energy: 0.6326952782139094
Energy: 0.6336281153504222
Energy: 0.6248000861308236
Energy: 0.7397749918512201
Energy: 0.633372606046379
Energy: 0.5896073127980916
Energy: 0.6904233317990811
Energy: 0.6340258459241376
Energy: 0.6139109685039833
Energy: 0.6972337471903846
Energy: 0.631779073183404
Energy: 0.6341558184375753
Energy: 0.7174302974557633
Energy: 0.7007806993754797
Energy: 0.6440536932688941
Energy: 0.7169325563455959
Energy: 0.6719386322073445
Energy: 0.8257516963393998
Energy: 0.6255783871445111
Energy: 0.6994071081989831
Energy: 0.7434844442169485
Energy: 0.6154483011228602
Energy: 0.7128751704338323
Energy: 0.8693572568091982
Energy: 0.6717792648749757
Energy: 0.613613387050964
Energy: 0.7392436681629223
Energy: 0.629193134235847
Energy: 0.6973254790886213
Energy: 0.6033720854237334
Energy: 0.7248840949267611
Energy: 0.6994680495464745
Energy: 0.6011515516946991
Energy: 0.7348585693645371
Energy: 0.6685592753770052

minimum gb energy = 0.5691237286459218 eV
minimum distance =  2.57874948389678 Angstroms
sigma value = 57


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

Energy: 0.6369812842794518
Energy: 0.6769749482044018
Energy: 0.6448997532263173
Energy: 0.5644112627747587
Energy: 0.7820241489368118
Energy: 0.6434627921597493
Energy: 0.6647138959537939
Energy: 0.5853804463001321
Energy: 0.5875279192281249
Energy: 0.6838971987745739
Energy: 0.5815665310250834
Energy: 0.6469965122997265
Energy: 0.8240072440284646
Energy: 0.5583115753858994
Energy: 0.5587737854134798
Energy: 0.7203310882661684
Energy: 0.5582458066734728
Energy: 0.6024351052592548
Energy: 0.7071611994074629
Energy: 0.5580514001207307
Energy: 0.6325814719718101
Energy: 0.6123654721234901
Energy: 0.5573505562226456
Energy: 0.6353979514772042
Energy: 0.6096350924127915
Energy: 0.5851595748832396
Energy: 0.5876970918311709
Energy: 0.6104999737833225
Energy: 0.6110396556282645
Energy: 0.5820947356416343
Energy: 0.5552634437120328
Energy: 0.5871814646834397
Energy: 0.5576147826014105
Energy: 0.5393742567430452
Energy: 0.6173496423902688
Energy: 0.5588317431747708
Energy: 0.5662792877344398
Energy: 0.6244864916365414
Energy: 0.6185864290149253
Energy: 0.5466350712434953
Energy: 0.6210485686997872
Energy: 0.5468736124145448
Energy: 0.6663816344767872
Energy: 0.5323565584471806
Energy: 0.5382048280151086
Energy: 0.5514670331782393
Energy: 0.5310614675784601
Energy: 0.552576078481369
Energy: 0.5690999024750184
Energy: 0.5631913843786935
Energy: 0.5613443474179737
Energy: 0.5704009384607728
Energy: 0.5732554944459302
Energy: 0.5656386933836474
Energy: 0.5660530745057452
Energy: 0.528373429593892
Energy: 0.5278275727180999
Energy: 0.5661224103852047
Energy: 0.5271852925931929
Energy: 0.5275549073993568
Energy: 0.548397664003085
Energy: 0.5459407360707215
Energy: 0.5371649963902133
Energy: 0.5276937697187841
Energy: 0.5424189752079095
Energy: 0.5325339692054943
Energy: 0.569812811142033
Energy: 0.5512393852869764
Energy: 0.5422324431425471
Energy: 0.547556850888218
Energy: 0.5471251240660052
Energy: 0.5250427541987974
Energy: 0.5431756577798185
Energy: 0.569835550179914
Energy: 0.5656688332039376
Energy: 0.5245778611483339
Energy: 0.5741622258693352
Energy: 0.5269805845193823
Energy: 0.5437218051455377
Energy: 0.5259577277352159
Energy: 0.5382498750457911
Energy: 0.5452753421658636
Energy: 0.5507572557461341
Energy: 0.5424060114658719
Energy: 0.5426772464489784
Energy: 0.5300663882476422
Energy: 0.5270297537215014
Energy: 0.5433045702834388
Energy: 0.527328540663057
Energy: 0.5263284845673742
Energy: 0.578487459015061
Energy: 0.5677295573528011
Energy: 0.5302891333561957
Energy: 0.5291472505636589
Energy: 0.575838090824311
Energy: 0.5291945202009812
Energy: 0.5443419632720686
Energy: 0.5766591846464653
Energy: 0.5658460171352296
Energy: 0.5331689065162332
Energy: 0.5729578384110252
Energy: 0.5508207817603997
Energy: 0.5455854010480884
Energy: 0.5511690073500818
Energy: 0.5517043102389194
Energy: 0.5473791277161258
Energy: 0.5504840513178723
Energy: 0.5508648196971083
Energy: 0.6179232859689958
Energy: 0.5498228677641791
Energy: 0.5471860907547718
Energy: 0.6197371276428534
Energy: 0.545460062227231
Energy: 0.617138948063101
Energy: 0.6188234984211888
Energy: 0.5538721718197891
Energy: 0.5558887698518001
Energy: 0.6127691594435141
Energy: 0.5516563113595189
Energy: 0.5864331930783936
Energy: 0.7733513397421496
Energy: 0.610778627394408
Energy: 0.5862258279861169
Energy: 0.6111528674210974
Energy: 0.6116692174590059
Energy: 0.5862817267073971
Energy: 0.5434262650151672
Energy: 0.6829898654360435
Energy: 0.6068622146526382
Energy: 0.5459125636616888
Energy: 0.6722151693911939
Energy: 0.5801795651906239
Energy: 0.5702565361924662
Energy: 0.6656455456487369
Energy: 0.6501459035804165
Energy: 0.5644946007032232
Energy: 0.6830405922195641
Energy: 0.6499621620577333
Energy: 0.7740336354523211
Energy: 0.6203370541287332
Energy: 0.5837243475402336
Energy: 0.6410289804374142
Energy: 0.6085921169679039
Energy: 0.5893494761445779
Energy: 0.8354542450977069
Energy: 0.5820474530420484
Energy: 0.591299106683227
Energy: 0.6767768673223886
Energy: 0.5817483813871966
Energy: 0.6615292304925626
Energy: 0.8260571357217319
Energy: 0.6447494260543835
Energy: 0.645155559064505
Energy: 0.6814940311274428
Energy: 0.6825421350738282
Energy: 0.6185671468087697
Energy: 0.5483071566307063
Energy: 0.6648212433313301
Energy: 0.6360236882398096
Energy: 0.5610778739495916
Energy: 0.6621785141765446
Energy: 0.6133478740643751

minimum gb energy = 0.5245778611483339 eV
minimum distance =  2.59624605077831 Angstroms
sigma value = 43


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

Energy: 0.4741598357755593
Energy: 0.5564904701469818
Energy: 0.5678300480752947
Energy: 0.47969164687893623
Energy: 0.6408117728583703
Energy: 0.5362424380099599
Energy: 0.6882798958586127
Energy: 0.4933642903794868
Energy: 0.49229765001781134
Energy: 0.5397168614586279
Energy: 0.4937636777971481
Energy: 0.48717887918089214
Energy: 0.7127281284206249
Energy: 0.4660880641447011
Energy: 0.48572773884649906
Energy: 0.5221536538638842
Energy: 0.4640641269055492
Energy: 0.48647538459143985
Energy: 0.6253137480270935
Energy: 0.4834043432723221
Energy: 0.4851271382232178
Energy: 0.5382957473538589
Energy: 0.46289668499505804
Energy: 0.5551753947496407
Energy: 0.4926552021788884
Energy: 0.4998697298130174
Energy: 0.49232010282999444
Energy: 0.47662065216553784
Energy: 0.5257922320814018
Energy: 0.492964193361991
Energy: 0.45842215407722325
Energy: 0.49237523026859265
Energy: 0.4761205130276368
Energy: 0.44872295049803873
Energy: 0.5552260738126553
Energy: 0.46148998873407293
Energy: 0.6557102292394614
Energy: 0.5551679851305942
Energy: 0.529899969247915
Energy: 0.46640572619072734
Energy: 0.5589524816965239
Energy: 0.46332267483357187
Energy: 0.6502490700485482
Energy: 0.4462879620344202
Energy: 0.4557167755765081
Energy: 0.4650046700508422
Energy: 0.4463909389031702
Energy: 0.455400974524863
Energy: 0.5110739575141395
Energy: 0.45489014531202293
Energy: 0.4646378720120106
Energy: 0.5125618534483182
Energy: 0.46001564996588235
Energy: 0.5091774543989087
Energy: 0.49220064174585926
Energy: 0.447827873093299
Energy: 0.44764483454694115
Energy: 0.49800567725988976
Energy: 0.44770499809805053
Energy: 0.4471264943211888
Energy: 0.45422060442169604
Energy: 0.48165937356902655
Energy: 0.4463955505156795
Energy: 0.46945390398202763
Energy: 0.48141046895228495
Energy: 0.44073194473757943
Energy: 0.5134176922360656
Energy: 0.4811529620020924
Energy: 0.48159664602868335
Energy: 0.44119997690878915
Energy: 0.48131383137306616
Energy: 0.44095076652865534
Energy: 0.5139386330719331
Energy: 0.4699237108502438
Energy: 0.47620127362730297
Energy: 0.4744992754236158
Energy: 0.4687694445690032
Energy: 0.47710404364510206
Energy: 0.4642309793252861
Energy: 0.43799690881057174
Energy: 0.4641840804228188
Energy: 0.46566792931759027
Energy: 0.46013223497883615
Energy: 0.4642887352489802
Energy: 0.4648521493062232
Energy: 0.4345069118487333
Energy: 0.4334883960471817
Energy: 0.46476012927795723
Energy: 0.43440746660530005
Energy: 0.43849331990628765
Energy: 0.4577235626799414
Energy: 0.4569272450477697
Energy: 0.465779037409985
Energy: 0.45206844789486433
Energy: 0.4563823395792407
Energy: 0.4329908333268853
Energy: 0.4670185264758435
Energy: 0.45647785314686634
Energy: 0.4608855794284305
Energy: 0.4529242306989473
Energy: 0.4562854208446155
Energy: 0.43521073148739303
Energy: 0.4567310880822064
Energy: 0.4666169599422735
Energy: 0.4349588632609261
Energy: 0.4669047602044706
Energy: 0.46443636132232563
Energy: 0.4350048874674514
Energy: 0.4566688361234108
Energy: 0.4533870089755425
Energy: 0.4567794862865756
Energy: 0.457372540264543
Energy: 0.5026658825074767
Energy: 0.45655105333909024
Energy: 0.45658183145631137
Energy: 0.46609803903310726
Energy: 0.4725094087250109
Energy: 0.47160857701009823
Energy: 0.46597811839929315
Energy: 0.4386542109343313
Energy: 0.4836137042232515
Energy: 0.46445535888738776
Energy: 0.47275761732673643
Energy: 0.4660164673015766
Energy: 0.4643516914231087
Energy: 0.439437657945527
Energy: 0.45785194600788776
Energy: 0.4646296335339699
Energy: 0.43709147490235883
Energy: 0.43740779135644503
Energy: 0.46435366230804653
Energy: 0.43641839409437705
Energy: 0.4988852565506683
Energy: 0.43862079804507803
Energy: 0.4381380222381648
Energy: 0.4816091720322571
Energy: 0.4387234335204928
Energy: 0.4377134141957865
Energy: 0.4809309391044327
Energy: 0.43985933743205496
Energy: 0.48095892384593747
Energy: 0.4823612914720493
Energy: 0.45816711887303313
Energy: 0.4811433315642931
Energy: 0.6324608908199872
Energy: 0.45896131504688975
Energy: 0.4672940508269075
Energy: 0.44474142536951733
Energy: 0.4591575407001356
Energy: 0.4906910385990615
Energy: 0.5860977621932011
Energy: 0.5094101733894153
Energy: 0.5117526563090636
Energy: 0.446752707778502
Energy: 0.5094608410507013
Energy: 0.4457733416618069
Energy: 0.4565367012878982
Energy: 0.5097662924333974
Energy: 0.4624615031727845
Energy: 0.4610842496325117
Energy: 0.5094139331948039
Energy: 0.4504425773243702
Energy: 0.50739438780195
Energy: 0.46692157181108157
Energy: 0.4639371184322157
Energy: 0.48173777216865316
Energy: 0.49387115473067655
Energy: 0.463871164412427
Energy: 0.5568656684290474
Energy: 0.4690081739736771
Energy: 0.5336627904799377
Energy: 0.5584174861689811
Energy: 0.45069043984403384
Energy: 0.5558642710242927
Energy: 0.6762900703288987
Energy: 0.45578995414865203
Energy: 0.4705247986261307
Energy: 0.4993278377199672
Energy: 0.4559513400657306
Energy: 0.4712760721527671
Energy: 0.6747438339533993
Energy: 0.5339232256790543
Energy: 0.49927847962033167
Energy: 0.49421123895187263
Energy: 0.536777789735267
Energy: 0.4923168386891824
Energy: 0.4654195824820521
Energy: 0.5457071523855516
Energy: 0.5037955713285702
Energy: 0.46024536468286753
Energy: 0.5838698480304751
Energy: 0.47488436311835946
Energy: 0.5106946505910254
Energy: 0.5277864059195372
Energy: 0.5276396730827028
Energy: 0.5066367493138993
Energy: 0.5325206246168509
Energy: 0.542227826469838
Energy: 0.6758846912974011
Energy: 0.504191559343514
Energy: 0.5049779827013205
Energy: 0.5384410403190677
Energy: 0.5189727475839393
Energy: 0.5731712526420001
Energy: 0.7143999517379443
Energy: 0.48264694342789527
Energy: 0.5410137168218312
Energy: 0.5355961183608966
Energy: 0.48178428223581987
Energy: 0.5410871494766446
Energy: 0.6882798975644638
Energy: 0.5357538512644944
Energy: 0.5318792340501121
Energy: 0.5017711536463729
Energy: 0.5322040106508248
Energy: 0.48931743993549837

minimum gb energy = 0.4329908333268853 eV
minimum distance =  2.61273037376973 Angstroms
sigma value = 81


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

Energy: 0.27091159877681303
Energy: 0.30037052958015487
Energy: 0.02371427791700384
Energy: 0.025370899532438207
Energy: 0.46721978258159375
Energy: 0.2708661213464741
Energy: 0.30009083487264093
Energy: 0.49851229524153534
Energy: 0.5010553016559678
Energy: 0.5394450714044504
Energy: 0.5014517507582904
Energy: 0.5135013345493155
Energy: 0.5194808473743137
Energy: 0.023993257236614923
Energy: 0.02391405451509448
Energy: 0.5379778556615052
Energy: 0.023727606085905448
Energy: 0.05859363909749912
Energy: 0.5146373347587526
Energy: 0.02381573190842526
Energy: 0.02404963298648089
Energy: 0.525445634990448
Energy: 0.023880908444558348
Energy: 0.05679766827540313
Energy: 0.056418083886798
Energy: 0.5497693317968795
Energy: 0.5494761368461747
Energy: 0.057235460511470534
Energy: 0.5495750973074203
Energy: 0.5495500413520371
Energy: 0.024665127592443308
Energy: 0.5194892877850493
Energy: 0.02383010286736109
Energy: 0.02582963683568852
Energy: 0.5196172664896795
Energy: 0.023847477855595527
Energy: 0.5431609786453596
Energy: 0.49829635635748243
Energy: 0.5140163880608716
Energy: 0.555235870560201
Energy: 0.5141768210184605
Energy: 0.5197972570563101
Energy: 0.5419349136289311
Energy: 0.023842681174531265
Energy: 0.023719912242649695
Energy: 0.5554626224211247
Energy: 0.023667601177006094
Energy: 0.024100857342420113
Energy: 0.4939590724996124
Energy: 0.023931914343414653
Energy: 0.0574006812451424
Energy: 0.5116756368419192
Energy: 0.023956870917226532
Energy: 0.05798710389687491
Energy: 0.27120863208265356
Energy: 0.5312721430835762
Energy: 0.531135007736881
Energy: 0.02419433943236057
Energy: 0.531087466272256
Energy: 0.5374793331709083

minimum gb energy = 0.023667601177006094 eV
minimum distance =  2.6200384309363 Angstroms
sigma value = 3


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

Energy: 0.5336467071365022
Energy: 0.5567879089988279
Energy: 0.5386727671640822
Energy: 0.44211883579552863
Energy: 0.5289323551159917
Energy: 0.4987997156252975
Energy: 0.5271540197619509
Energy: 0.5403947926109062
Energy: 0.5388841000040946
Energy: 0.5317109607781932
Energy: 0.5319561012951693
Energy: 0.5396472602755785
Energy: 0.5427870133621603
Energy: 0.49284627693775285
Energy: 0.49338591145206195
Energy: 0.5301847977812344
Energy: 0.4961869675255572
Energy: 0.5257875577599512
Energy: 0.517138931681567
Energy: 0.49345069794403834
Energy: 0.4927963714888176
Energy: 0.5122817716661666
Energy: 0.4679317585382742
Energy: 0.5300338443064128
Energy: 0.46851315387240106
Energy: 0.540672355334247
Energy: 0.538493926451792
Energy: 0.46869062887266527
Energy: 0.5312613696173255
Energy: 0.5389419185448534
Energy: 0.517697751789732
Energy: 0.5387431700954795
Energy: 0.5099347512778993
Energy: 0.4326303790172227
Energy: 0.5382770840835366
Energy: 0.4586708824614101
Energy: 0.5155733510501578
Energy: 0.4773503741603547
Energy: 0.5278066319243762
Energy: 0.5148072436616722
Energy: 0.4823675558515166
Energy: 0.5156892612060453
Energy: 0.5115390404981407
Energy: 0.4418114294619169
Energy: 0.4704730418412533
Energy: 0.5115542857730854
Energy: 0.4130590070551197
Energy: 0.4709911885621055
Energy: 0.4414564210380232
Energy: 0.46984964554123176
Energy: 0.5269767898678464
Energy: 0.5297354438914568
Energy: 0.43933219639760973
Energy: 0.5274862795987233
Energy: 0.4486894906577774
Energy: 0.4774810546146791
Energy: 0.4790502144778116
Energy: 0.4482835031482041
Energy: 0.48286681466303977
Energy: 0.48065783987136806
Energy: 0.5202759680380804
Energy: 0.48240218732600154
Energy: 0.47903995778854175
Energy: 0.4227877691311862
Energy: 0.4228384337251052
Energy: 0.4888465524980772
Energy: 0.44573813240287496
Energy: 0.48215636909445325
Energy: 0.5191637094448381
Energy: 0.4456328072107619
Energy: 0.4430225965190318
Energy: 0.44532092378180665
Energy: 0.4475323832328254
Energy: 0.4096325415405706
Energy: 0.4953330290944964
Energy: 0.44766157840374105
Energy: 0.40730717594937005
Energy: 0.44835533664839544
Energy: 0.4157316090879907
Energy: 0.46951581335086956
Energy: 0.4469147087541905
Energy: 0.44956965330457127
Energy: 0.42457988472701075
Energy: 0.49677477176125534
Energy: 0.5139567821733505
Energy: 0.4232634796539674
Energy: 0.4228698669144747
Energy: 0.5129878069285275
Energy: 0.4288370471854564
Energy: 0.4235927135183094
Energy: 0.5127403757604697
Energy: 0.46163084600709675
Energy: 0.48432342538065154
Energy: 0.4170963016433041
Energy: 0.5076789011241893
Energy: 0.4846850264770788
Energy: 0.41143690820952283
Energy: 0.425602569783664
Energy: 0.48241308199420346
Energy: 0.411415503498244
Energy: 0.42677092919524623
Energy: 0.41114049577013995
Energy: 0.4124805925119721
Energy: 0.41533013646919154
Energy: 0.47964168545872393
Energy: 0.4126344178310281
Energy: 0.4129119784524302
Energy: 0.47945078475975844
Energy: 0.5160250072946951
Energy: 0.45213306209968956
Energy: 0.4737025477376187
Energy: 0.4150272361324136
Energy: 0.41222743129118206
Energy: 0.4784915489068024
Energy: 0.5095023217401966
Energy: 0.4111465712565141
Energy: 0.41099035333640416
Energy: 0.5095705747224833
Energy: 0.417958262482095
Energy: 0.4117175883599201
Energy: 0.5094948022611324
Energy: 0.4818903888745815
Energy: 0.48508284192333423
Energy: 0.4245837218657849
Energy: 0.4830007460333704
Energy: 0.4837113587588956
Energy: 0.42768093302391974
Energy: 0.48841946745195697
Energy: 0.45479364949538664
Energy: 0.4241964844954044
Energy: 0.4826046269281382
Energy: 0.42330173985292135
Energy: 0.4234565632960012
Energy: 0.4497095113435694
Energy: 0.4495301978837561
Energy: 0.4234360744139633
Energy: 0.4501545981531322
Energy: 0.4486367910938371
Energy: 0.5166180185454806
Energy: 0.44742897873333026
Energy: 0.44722278303428986
Energy: 0.41310677964330167
Energy: 0.446890560016044
Energy: 0.4844285181437353
Energy: 0.4256067624730738
Energy: 0.44560384659346924
Energy: 0.44524525410810106
Energy: 0.4256618266692339
Energy: 0.45237444218372325
Energy: 0.4464716527846705
Energy: 0.5321636417580032
Energy: 0.43302181127917466
Energy: 0.45931604349387484
Energy: 0.42352855165593345
Energy: 0.40940177715492654
Energy: 0.48118965827767135
Energy: 0.48189599354441004
Energy: 0.4597866411236657
Energy: 0.45823881946032446
Energy: 0.4800465749300761
Energy: 0.42828238003659225
Energy: 0.4816902394022421
Energy: 0.4557735751346549
Energy: 0.47025939314939347
Energy: 0.47097135496934456
Energy: 0.4557941011423759
Energy: 0.4701694595831149
Energy: 0.4701239973698629
Energy: 0.5238083970617299
Energy: 0.5204701540245983
Energy: 0.49258496723799233
Energy: 0.4283265045583441
Energy: 0.5130494091463583
Energy: 0.4521645034906287
Energy: 0.4796500438883644
Energy: 0.5282654857524809
Energy: 0.5250297561065881
Energy: 0.47992763385402637
Energy: 0.5240663473716588
Energy: 0.5140666591761516
Energy: 0.5211039835082033
Energy: 0.4506238409902572
Energy: 0.48134672261285144
Energy: 0.5211924706803486
Energy: 0.41647547966372106
Energy: 0.4810127812636958
Energy: 0.5455145484791907
Energy: 0.4811338799614062
Energy: 0.5401266364733501
Energy: 0.5291180863943136
Energy: 0.4497402377361006
Energy: 0.5710293482072832
Energy: 0.47903160495508845
Energy: 0.5110724596372539
Energy: 0.5187139924045259
Energy: 0.4791930298160958
Energy: 0.5180467264689321
Energy: 0.507206569602805

minimum gb energy = 0.40730717594937005 eV
minimum distance =  2.53711731309515 Angstroms
sigma value = 67


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

Energy: 0.650485420104084
Energy: 0.648255688539194
Energy: 0.6466978953251955
Energy: 0.5411840350226852
Energy: 0.7309654537540903
Energy: 0.6452815676815271
Energy: 0.6223507650846105
Energy: 0.6517192569154031
Energy: 0.6500584060235713
Energy: 0.6430793856382847
Energy: 0.6437377188065552
Energy: 0.6463325749697536
Energy: 0.6575369372101237
Energy: 0.5622737932468573
Energy: 0.6192099319354768
Energy: 0.6402232773910952
Energy: 0.5584556149308718
Energy: 0.6357233012906593
Energy: 0.6105296343805967
Energy: 0.6124026772671988
Energy: 0.6277594604473775
Energy: 0.6115861580515713
Energy: 0.619044852249429
Energy: 0.6285153373225032
Energy: 0.6037336316854016
Energy: 0.5904739820813854
Energy: 0.6514969259052054
Energy: 0.6041145966815438
Energy: 0.6710010249757614
Energy: 0.6479173231134786
Energy: 0.6263911409283356
Energy: 0.6414903166524378
Energy: 0.6046900219860849
Energy: 0.5622550109538569
Energy: 0.6414956505654843
Energy: 0.6091006248470958
Energy: 0.6176026866063169
Energy: 0.6260784787451912
Energy: 0.6259810179253483
Energy: 0.6075743458318547
Energy: 0.5656213738090355
Energy: 0.621411064284333
Energy: 0.6129533914730785
Energy: 0.5395238497770556
Energy: 0.5333603389373398
Energy: 0.6065307701171925
Energy: 0.5358482369142635
Energy: 0.6144013018417548
Energy: 0.6440985123653815
Energy: 0.6132162928291895
Energy: 0.5674395709534051
Energy: 0.6213322216923438
Energy: 0.5632278268927816
Energy: 0.6394806677707358
Energy: 0.5950904450214712
Energy: 0.5690001835045411
Energy: 0.5654240542024546
Energy: 0.6510020088559345
Energy: 0.5665405895453904
Energy: 0.5634648538966677
Energy: 0.6417862380603034
Energy: 0.5663371491634381
Energy: 0.5692086612900964
Energy: 0.5390015774193607
Energy: 0.6310026060191904
Energy: 0.5872003025940244
Energy: 0.5431436550150497
Energy: 0.5702258793471222
Energy: 0.5651238719728442
Energy: 0.5442820992688492
Energy: 0.5668106914645538
Energy: 0.5378080081618263
Energy: 0.5454024086202938
Energy: 0.5444239680111359
Energy: 0.5367417700385465
Energy: 0.537707889669007
Energy: 0.5397387957952063
Energy: 0.5381438176425517
Energy: 0.629595895540352
Energy: 0.5392290459751073
Energy: 0.6030143905215624
Energy: 0.5385839504979368
Energy: 0.5872161432984773
Energy: 0.5368673505807303
Energy: 0.6292881750215117
Energy: 0.5417797450592903
Energy: 0.5383970216756094
Energy: 0.6296972561605296
Energy: 0.5385170379498406
Energy: 0.5383794998134317
Energy: 0.6299116618793227
Energy: 0.5365371375141694
Energy: 0.6139281545957365
Energy: 0.5658849702811837
Energy: 0.5930686984990838
Energy: 0.6100146702517866
Energy: 0.5688900639785194
Energy: 0.5344504570651095
Energy: 0.5289365852728375
Energy: 0.5695682034841778
Energy: 0.5304240519268715
Energy: 0.5639309394449482
Energy: 0.5637704024878597
Energy: 0.5671918323774765
Energy: 0.6404682358263534
Energy: 0.5637712733277404
Energy: 0.5691850251515458
Energy: 0.5643825097168113
Energy: 0.6244373462328016
Energy: 0.6432037883084402
Energy: 0.5857967850047353
Energy: 0.5451772660149065
Energy: 0.6435897939494775
Energy: 0.5893887846419
Energy: 0.5611244773295033
Energy: 0.6232795841515214
Energy: 0.6243213384000876
Energy: 0.5665781900743003
Energy: 0.6112629205734056
Energy: 0.6404649322764207
Energy: 0.6186911835319129
Energy: 0.5887036182898021
Energy: 0.6375668515048599
Energy: 0.620536483165038
Energy: 0.5483041247432737
Energy: 0.6492072588400548
Energy: 0.6569523018328951
Energy: 0.5453473793364811
Energy: 0.5793203946088482
Energy: 0.6400656065133629
Energy: 0.5416634682346373
Energy: 0.6468263931896697
Energy: 0.6222205586950611
Energy: 0.6221898638025416
Energy: 0.6230026317568359
Energy: 0.6272811132133524
Energy: 0.6141320801835519
Energy: 0.6193120994183521

minimum gb energy = 0.5289365852728375 eV
minimum distance =  2.53095286174611 Angstroms
sigma value = 33


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

Energy: 0.7553546771801188
Energy: 0.7597509534408535
Energy: 0.7613943452199784
Energy: 0.6475356519804523
Energy: 0.6924934835003032
Energy: 0.728758534906703
Energy: 0.7077492810357905
Energy: 0.6888148214790916
Energy: 0.637923219157352
Energy: 0.6781160029305162
Energy: 0.6862229162235698
Energy: 0.6853341678442185
Energy: 0.7555252780315833
Energy: 0.680352238276625
Energy: 0.6794680191489842
Energy: 0.7341491553676751
Energy: 0.6782501912861355
Energy: 0.7032982091848681
Energy: 0.6806298331511222
Energy: 0.6809253163388408
Energy: 0.6975692766002302
Energy: 0.6814103786355057
Energy: 0.7066768721897035
Energy: 0.7123357440473094
Energy: 0.6799269992890147
Energy: 0.6890931078906715
Energy: 0.6877379673328501
Energy: 0.6801853759621017
Energy: 0.7420898192336809
Energy: 0.6707407111027412
Energy: 0.7216547918563431
Energy: 0.6300780311224724
Energy: 0.6957228250317017
Energy: 0.6284129373349305
Energy: 0.6295475145712622
Energy: 0.6236670238503526
Energy: 0.679395331893496
Energy: 0.6884052258292388
Energy: 0.689274806497449
Energy: 0.6797556332844484
Energy: 0.6873316912091622
Energy: 0.6852281962260087
Energy: 0.6815181445750792
Energy: 0.6274618757561328
Energy: 0.6291883080200504
Energy: 0.6813143354209868
Energy: 0.6328897856652813
Energy: 0.6689558698042509
Energy: 0.7165130365659889
Energy: 0.631191422006625
Energy: 0.6313054404829185
Energy: 0.6863475912423294
Energy: 0.6304781852432945
Energy: 0.7032122450426609
Energy: 0.7176282435812781
Energy: 0.6302313269665699
Energy: 0.6290545170463591
Energy: 0.7180056501836728
Energy: 0.6302609771568821
Energy: 0.6278542899715311
Energy: 0.6745944712443603
Energy: 0.6291489007089806
Energy: 0.6319854063846186
Energy: 0.6316048595370619
Energy: 0.6746624599711973
Energy: 0.6297455628474687
Energy: 0.628622187169865
Energy: 0.6280225828221789
Energy: 0.631303419498586
Energy: 0.6285824961373644
Energy: 0.6452344130630002
Energy: 0.6287308438354683
Energy: 0.6293015214707037
Energy: 0.6862494792572613
Energy: 0.6588592790023885
Energy: 0.6296692621038773
Energy: 0.6347139251647789
Energy: 0.6285362321448037
Energy: 0.6121761809647635
Energy: 0.6860221374597537
Energy: 0.634776200139026
Energy: 0.6150370297846237
Energy: 0.6744814625142073
Energy: 0.6111512733923387
Energy: 0.611875904253918
Energy: 0.6857107567590579
Energy: 0.6874021054102929
Energy: 0.6134844283871463
Energy: 0.6824235654886807
Energy: 0.6601484564278338
Energy: 0.6827284575120092
Energy: 0.6391444914100318
Energy: 0.6392210759478295
Energy: 0.6835778394153775
Energy: 0.6391386127486207
Energy: 0.6892468242402287
Energy: 0.7567444868582157
Energy: 0.6392139189254769
Energy: 0.638837892154858
Energy: 0.7355263969612634
Energy: 0.6437995369036411
Energy: 0.680406504292828
Energy: 0.7542413188784565
Energy: 0.6856775740599361
Energy: 0.6863864167812475
Energy: 0.683007759850061
Energy: 0.6822101172957512
Energy: 0.7333231518322694
Energy: 0.71500283205413
Energy: 0.7352699570336465
Energy: 0.7356299511327576
Energy: 0.6404160124556346
Energy: 0.7354210984754831
Energy: 0.6336457974785302
Energy: 0.7077465003618704
Energy: 0.687832934792411
Energy: 0.6876623903712671
Energy: 0.7147829833469055
Energy: 0.6843190950754373
Energy: 0.6879600893076844
Energy: 0.7592750235275905
Energy: 0.6537827378444268
Energy: 0.7152005539716809
Energy: 0.7341291789512115
Energy: 0.6915478399938464
Energy: 0.6554930127715369
Energy: 0.6805291945950669
Energy: 0.6804230481226906
Energy: 0.6795220452080645
Energy: 0.679892232428222
Energy: 0.6784292821113738
Energy: 0.7083060459532843
Energy: 0.6802470396614412
Energy: 0.6896958086164385
Energy: 0.6882655305054123
Energy: 0.6804549275072338
Energy: 0.6850773897905402
Energy: 0.6848514896140654
Energy: 0.7202875991678943
Energy: 0.6300441473450983
Energy: 0.7219062832083043
Energy: 0.6234077951486496
Energy: 0.628529111061419
Energy: 0.62401032291753
Energy: 0.6792731946052125
Energy: 0.6877908591112308
Energy: 0.6888889322434907
Energy: 0.6799046232850096
Energy: 0.6872132182039615
Energy: 0.6842875717298091
Energy: 0.6804055418343383
Energy: 0.6278901664869145
Energy: 0.6293055412410573
Energy: 0.6803836949738288
Energy: 0.6321616794798472
Energy: 0.6687597982319102
Energy: 0.7158927299316652
Energy: 0.6279155839741865
Energy: 0.6295730345096977
Energy: 0.6362968521565315
Energy: 0.6446213970788643
Energy: 0.7032786860961086
Energy: 0.716965125389358
Energy: 0.63022931490737
Energy: 0.6289251071605788
Energy: 0.6366921969070596
Energy: 0.6308499873754781
Energy: 0.628345706180834
Energy: 0.6743358048154007
Energy: 0.6345527319423742
Energy: 0.6318788025686817
Energy: 0.6327298362891635
Energy: 0.6292737583590553
Energy: 0.6292633369128153
Energy: 0.6287752080494079
Energy: 0.6282792248081572
Energy: 0.6286138641010938
Energy: 0.6288703842167191
Energy: 0.6396080355365211
Energy: 0.6287502843007153
Energy: 0.6325104077643817
Energy: 0.6873489533015844
Energy: 0.6298363562355863
Energy: 0.629546191605822
Energy: 0.6371634222202025
Energy: 0.6288162396487628
Energy: 0.6116073399838194
Energy: 0.6861667541616944
Energy: 0.6347728344356788
Energy: 0.6143664975300025
Energy: 0.7198106911939535
Energy: 0.6108601919539443
Energy: 0.6104689863658781
Energy: 0.6863363186581485
Energy: 0.6881639933402098
Energy: 0.6129746667349908
Energy: 0.6825638345907243
Energy: 0.6599762335481524
Energy: 0.636531780389542
Energy: 0.6525427903747062
Energy: 0.6900752262604516
Energy: 0.6834865280965566
Energy: 0.6397504074033621
Energy: 0.6889755011725938
Energy: 0.8065218483697498
Energy: 0.6382164070552624
Energy: 0.6387972265438984
Energy: 0.7370786325757417
Energy: 0.6130423395433997
Energy: 0.6784956945728512
Energy: 0.7572158004805462
Energy: 0.6868694926473292
Energy: 0.7334877902115443
Energy: 0.6840873949442213
Energy: 0.6847904006580102
Energy: 0.7323260259139912
Energy: 0.7201050175414896
Energy: 0.7361715147610955
Energy: 0.7436260009136736
Energy: 0.6384374281549368
Energy: 0.7363147756283633
Energy: 0.6335911179607745

minimum gb energy = 0.6104689863658781 eV
minimum distance =  2.53677570309221 Angstroms
sigma value = 41


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

Energy: 1.0482664937064987
Energy: 0.7478249409139657
Energy: 0.7445132654935731
Energy: 0.7467582643168558
Energy: 0.8118124455497651
Energy: 0.7443452339112979
Energy: 0.8000486331519919
Energy: 0.762366806984115
Energy: 0.7479834442272362
Energy: 0.7818282047090815
Energy: 0.7613732570592571
Energy: 0.7466621530681087
Energy: 0.8802330361756626
Energy: 0.7460632197614824
Energy: 0.7444414859548537
Energy: 0.7700402990373056
Energy: 0.7493136460267669
Energy: 0.743907373307329
Energy: 0.7863744030374802
Energy: 0.745965876151942
Energy: 0.7444477608965211
Energy: 0.7860358619304862
Energy: 0.7492410922147318
Energy: 0.7472249781238225
Energy: 0.7699799247323202
Energy: 0.7484544067283935
Energy: 0.7477278899495774
Energy: 0.7705363097823242
Energy: 0.7611480108330826
Energy: 0.7478153827562306
Energy: 0.7885592489385894
Energy: 0.748212257264308
Energy: 0.747135122052477
Energy: 0.7479865189089153
Energy: 0.7482109871540163
Energy: 0.7467865787329886
Energy: 0.7687067801198829
Energy: 0.7676285067117724
Energy: 0.7469595582737739
Energy: 0.7680716959089648
Energy: 0.7627867647423002
Energy: 0.7486651041849433
Energy: 0.7739364156906245
Energy: 0.7489741218837594
Energy: 0.7467955870301061
Energy: 0.7750403272046832
Energy: 0.7487280634139039
Energy: 0.74803703079874
Energy: 0.8233586376355648
Energy: 0.7489516892753183
Energy: 0.7469095594418935
Energy: 0.7317222282857316
Energy: 0.7619626782631792
Energy: 0.7472877825341854
Energy: 0.7910656979546326
Energy: 0.7533014856591517
Energy: 0.747653096931508
Energy: 0.7542274949867055
Energy: 0.7696303301191674
Energy: 0.7460822643901953
Energy: 0.7823928222398359
Energy: 0.7620988042435802
Energy: 0.7500874789930898
Energy: 0.7491602809418437
Energy: 0.7309236924366806
Energy: 0.749779788333777
Energy: 0.9017196160117721
Energy: 0.7303937907304103
Energy: 0.7307450586439415
Energy: 0.9021383340912276
Energy: 0.7305576765464171
Energy: 0.7314564803828083
Energy: 0.8921401803219329
Energy: 0.7492666376050255
Energy: 0.7607764140822714
Energy: 0.7834947149940082
Energy: 0.7484399405686636
Energy: 0.7616849481160662
Energy: 0.8452978444665673
Energy: 0.7712165662148076
Energy: 0.7309594100791589
Energy: 0.7335286814623678
Energy: 0.7703733170819665
Energy: 0.7311644566409661

minimum gb energy = 0.7303937907304103 eV
minimum distance =  2.53803052480871 Angstroms
sigma value = 11


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

Energy: 0.9029527755209686
Energy: 0.964786571414909
Energy: 0.8935992751398644
Energy: 0.8964620959923087
Energy: 0.9834024596083972
Energy: 0.939041217919733
Energy: 0.9750418165066655
Energy: 0.8786764201128426
Energy: 0.8737282816105205
Energy: 0.8692450437576625
Energy: 0.8777344423895954
Energy: 0.8731703476514501
Energy: 0.9694020022542673
Energy: 0.8663169910441149
Energy: 0.865752584534619
Energy: 0.8698438149874502
Energy: 0.8743407166851856
Energy: 0.868037255262259
Energy: 0.8997510873133802
Energy: 0.8663539459841457
Energy: 0.8695029897323502
Energy: 0.8760747038338271
Energy: 0.866755038218424
Energy: 0.8687202175219093
Energy: 0.8971719129594519
Energy: 0.8797552975630817
Energy: 0.8747561517976047
Energy: 0.88983102515033
Energy: 0.8783081254502936
Energy: 0.8738640969879601
Energy: 0.8992538270454868
Energy: 0.8740350340181451
Energy: 0.8685129469232041
Energy: 0.8705887334041679
Energy: 0.8988714665753357
Energy: 0.8689679771280332
Energy: 0.8905213253484345
Energy: 0.8686373981472253
Energy: 0.8691544186172282
Energy: 0.8910998763789465
Energy: 0.8604682126362821
Energy: 0.8743822057074648
Energy: 0.8908028898865938
Energy: 0.8734661511581966
Energy: 0.875870653489391
Energy: 0.8772062820157148
Energy: 0.869453161493376
Energy: 0.8754253807802604
Energy: 0.8677637325244308
Energy: 0.8691592813005126
Energy: 0.868241233156393
Energy: 0.8610471786973718
Energy: 0.8699382971755043
Energy: 0.8717256514549411
Energy: 0.8687206025617614
Energy: 0.8685839317512332
Energy: 0.8681518343596104
Energy: 0.8680666360947832
Energy: 0.8697335082864295
Energy: 0.8716673917578707
Energy: 0.8904157519674687
Energy: 0.8790440983221636
Energy: 0.8733889937816824
Energy: 0.8768680796176127
Energy: 0.8992200488510893
Energy: 0.8749808624951734
Energy: 0.8755376038786532
Energy: 0.8775540145013665
Energy: 0.8696351503012545
Energy: 0.8759816936547262
Energy: 0.8696060077753981
Energy: 0.8696215281136772
Energy: 0.8723590739811411
Energy: 0.8679988071884605
Energy: 0.8679833548342648
Energy: 0.8745349549443692
Energy: 0.8688435391346961
Energy: 0.8686163999060786
Energy: 0.8881365856842733
Energy: 0.8697653481204976
Energy: 0.8697118318782967
Energy: 0.8694963985797897
Energy: 0.8697445889538715
Energy: 0.8682691271684655
Energy: 0.87301256242947
Energy: 0.8696155827849453
Energy: 0.8678928086015918
Energy: 0.8740909529839219
Energy: 0.8691736831386384
Energy: 0.8679227735491913
Energy: 0.867137309763361
Energy: 0.8705198405299175
Energy: 0.8684702426274379
Energy: 0.8684337515042002
Energy: 0.8682176734878463
Energy: 0.8688161930801893
Energy: 0.8674239725802392
Energy: 0.863414492452803
Energy: 0.8711281763502331
Energy: 0.8709764115582616
Energy: 0.8625276248162073
Energy: 0.8623740871472908
Energy: 0.9115955828425264
Energy: 0.9119408460966637
Energy: 0.9071292667196517
Energy: 0.8841015579792133
Energy: 0.9207297939952985
Energy: 0.8824712276657852
Energy: 0.8828508298237923
Energy: 0.8684676562089985
Energy: 0.8689353911541667
Energy: 0.8848156433775641
Energy: 0.8717486772212679
Energy: 0.8701186755627773
Energy: 0.8954438888523153
Energy: 0.8704017035861431
Energy: 0.8695667065201282
Energy: 0.8778046911204381
Energy: 0.877340043080019
Energy: 0.8623991427964374
Energy: 0.9446292477858191
Energy: 0.8728408027257542
Energy: 0.8626568823685811
Energy: 0.8750873274251446
Energy: 0.8753449880126315
Energy: 0.8684068933081761
Energy: 0.9018323766129099
Energy: 0.8727388022352903
Energy: 0.8691410524270896
Energy: 0.8749319566921451
Energy: 0.8749756398963531
Energy: 0.8676573073198308
Energy: 0.88420482650618
Energy: 0.8741373939319763
Energy: 0.8731362880506645
Energy: 0.8732521778704541
Energy: 0.8785244943138275
Energy: 0.8718853444478157
Energy: 0.9445600606660991
Energy: 0.8647979920791669
Energy: 0.8683652051854023
Energy: 0.8729710393857184
Energy: 0.8846467978222449
Energy: 0.8682146920721124
Energy: 0.9504196579534019
Energy: 0.8679554466134156
Energy: 0.8868711999676193
Energy: 0.9225463768799657
Energy: 0.8715856918385734
Energy: 0.8828981053766796
Energy: 0.9236551375017497
Energy: 0.8663506319152354
Energy: 0.8694276026142915
Energy: 0.862294166912069
Energy: 0.8639527646376064
Energy: 0.8683588377235304
Energy: 0.9174182210500766
Energy: 0.8751392507459591
Energy: 0.869277822952962
Energy: 0.8678601239797684
Energy: 0.8691440628894517
Energy: 0.8680708016730493
Energy: 0.9179613023489722
Energy: 0.8711907136791476
Energy: 0.8685983957551131
Energy: 0.8687084515533579
Energy: 0.8707530101825517
Energy: 0.8676776380523095
Energy: 0.9267023899273268
Energy: 0.8623627881735281
Energy: 0.8617863643708714
Energy: 0.8989412808374418
Energy: 0.8694213502760777
Energy: 0.8636083123610515
Energy: 1.0227848988463975
Energy: 0.8710019220465877
Energy: 0.8685465640859179
Energy: 0.8700188964760012
Energy: 0.8745507433657665
Energy: 0.8678152131974292
Energy: 0.8942459357327285
Energy: 0.8781990524005645
Energy: 0.871013379818136
Energy: 0.8694993230180544
Energy: 0.8763246710895178
Energy: 0.8699892733445441

minimum gb energy = 0.8604682126362821 eV
minimum distance =  2.53645170311513 Angstroms
sigma value = 57


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

Energy: 1.2094347326253796
Energy: 0.8645902155778596
Energy: 0.8866306182753348
Energy: 0.8644023094914096
Energy: 0.8849147380385892
Energy: 0.8641116768005216
Energy: 0.8638413037493233
Energy: 0.885901137460404
Energy: 0.8897510404012432
Energy: 0.8850906385707742
Energy: 0.8870001611122731
Energy: 0.8921987844499419
Energy: 0.8930115589762928
Energy: 0.8815501718972956
Energy: 0.8896389592307673
Energy: 0.8853808165507177
Energy: 0.8857070133834496
Energy: 0.8866808358322393
Energy: 0.8848603169913803
Energy: 0.8863574080006955
Energy: 0.8891991477003219
Energy: 0.885731362518176
Energy: 0.8815233797649026
Energy: 0.8882254734809429
Energy: 0.8900288830609259
Energy: 0.8846215854553455
Energy: 0.8893001099550937
Energy: 0.8855252350328209
Energy: 0.8861280029323138
Energy: 0.8900461011345959
Energy: 0.88776063987312
Energy: 0.891897571949179
Energy: 0.8861997149661719
Energy: 0.8854205604404362
Energy: 0.8859914509258914
Energy: 0.8877215363537299
Energy: 0.8916708862842772
Energy: 0.8945459688154119
Energy: 0.8949520342424542
Energy: 0.8857537113933305
Energy: 0.8952522110759672
Energy: 0.894520050992657
Energy: 0.9645792486667977
Energy: 0.8898876893367889
Energy: 0.8913036625208975
Energy: 0.8870736570243636
Energy: 0.8855820324568482
Energy: 0.8894925081117748
Energy: 0.8636069642492287
Energy: 0.8865102413477973
Energy: 0.8820251243122382
Energy: 0.8636993188808261
Energy: 0.8843812987317636
Energy: 0.8790894614956137
Energy: 0.8634781476583195
Energy: 0.8863288646655719
Energy: 0.8812132149547309
Energy: 0.8678460270550659
Energy: 0.8855005562534911
Energy: 0.864535721693572
Energy: 0.964587761124324
Energy: 0.8901148891275406
Energy: 0.8923812510872102
Energy: 0.8867308686227902
Energy: 0.8850790294567067
Energy: 0.8903301713461577
Energy: 0.884333387388194
Energy: 0.8981413575518001
Energy: 0.8896036067638504
Energy: 0.8844913822318582
Energy: 0.8814799389675692
Energy: 0.8904652926918488
Energy: 0.8926327308325769
Energy: 0.8874107910364757
Energy: 0.8894146525190773
Energy: 0.8862001411028304
Energy: 0.886326467435183
Energy: 0.8889452568630382
Energy: 0.8863873775089327
Energy: 0.8860366858372687
Energy: 0.8858091475471086
Energy: 0.8853134117719554
Energy: 0.8860781228980246
Energy: 0.8882784524001169
Energy: 0.8852557569236693
Energy: 0.8649706297594909
Energy: 0.890682174116498
Energy: 0.8864185363554548
Energy: 0.8641578410637586
Energy: 0.8909170109557087
Energy: 0.8925888921385005
Energy: 0.8648394846132391
Energy: 0.8874145638610638
Energy: 0.885131284021419
Energy: 0.899237840835158
Energy: 0.8881962126943009
Energy: 0.8639436547618377
Energy: 0.8859544838590894
Energy: 0.8872254872403937
Energy: 0.8639172952014904
Energy: 0.8864161384493457
Energy: 0.8903275038114945

minimum gb energy = 0.8634781476583195 eV
minimum distance =  2.54950646648354 Angstroms
sigma value = 9


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

Energy: 1.032401767860134
Energy: 0.9903688501892459
Energy: 0.9241252448169063
Energy: 0.9517064411933766
Energy: 0.9813432453520734
Energy: 0.9240855899805568
Energy: 1.0258560208766603
Energy: 0.94080990526653
Energy: 0.9341971824080985
Energy: 0.9269730176987184
Energy: 0.955632600493131
Energy: 0.9353370716295127
Energy: 0.9545127334530515
Energy: 0.9366919849798587
Energy: 0.9381917305229361
Energy: 0.9189135946782689
Energy: 0.9361046871170705
Energy: 0.932160614124384
Energy: 0.9406336374667991
Energy: 0.9328568241453336
Energy: 0.9264790438036168
Energy: 0.9395486634745164
Energy: 0.9331977411182533
Energy: 0.9268617553892041
Energy: 0.9296730655902871
Energy: 0.9241005788214992
Energy: 0.9270390205643178
Energy: 0.9185990388063495
Energy: 0.9195232402687403
Energy: 0.9305181020158141
Energy: 0.9289342984381342
Energy: 0.9228613418701888
Energy: 0.9204489115898296
Energy: 0.9329246825006106
Energy: 0.9269291182919724
Energy: 0.9200994727548482
Energy: 0.9375277273613141
Energy: 0.9223780905244011
Energy: 0.937610532732243
Energy: 0.9186412999498224
Energy: 0.925206807826597
Energy: 0.9399472974153942
Energy: 0.9874608691430082
Energy: 0.9236533259475959
Energy: 0.9231064895078404
Energy: 0.9362393971301062
Energy: 0.922353612010172
Energy: 0.9229252143980821
Energy: 0.9775771093309396
Energy: 0.922198152638991
Energy: 0.9238990363410006
Energy: 0.9306285183415397
Energy: 0.9196634391573908
Energy: 0.9337125769173839
Energy: 0.9637803898006085
Energy: 0.9224850857445749
Energy: 0.924055931746394
Energy: 0.9317989339797034
Energy: 0.9357190451654721
Energy: 0.9180603126698672
Energy: 0.9833957309486292
Energy: 0.9264734741609314
Energy: 0.9200146773903735
Energy: 0.9364860492513734
Energy: 0.9233548134484078
Energy: 0.9191381106072943
Energy: 0.9739737650928787
Energy: 0.9406508930756622
Energy: 0.9376068440474611
Energy: 0.9569463602410063
Energy: 0.9320243482753922
Energy: 0.9360982993473733
Energy: 0.9758382034184773
Energy: 0.933294624256142
Energy: 0.9325255871801562
Energy: 0.9222723284728538
Energy: 0.9355858239876398
Energy: 0.9201992765466656
Energy: 0.9782803131722102
Energy: 0.9309992039347472
Energy: 0.9293221406627995
Energy: 0.9356401146056629
Energy: 0.9334224544665148
Energy: 0.9260683875531213
Energy: 0.9725938550409633
Energy: 0.9226900754764512
Energy: 0.9198155685642802
Energy: 0.9579605558432488
Energy: 0.9233726787554448
Energy: 0.9186713783413872
Energy: 0.9557608534321966
Energy: 0.9320563272966855
Energy: 0.9225610583939464
Energy: 0.9382263943652154
Energy: 0.9256157822044695
Energy: 0.9217122333074373
Energy: 0.944914910246165
Energy: 0.9277691986774999
Energy: 0.9304569867694062
Energy: 0.9331321314741167
Energy: 0.9387971676041965
Energy: 0.9303195785353651
Energy: 1.0517977268416467
Energy: 0.9219809465049107
Energy: 0.9210628868670585
Energy: 0.9262551910647854
Energy: 0.9379821759349405
Energy: 0.9210342465846294
Energy: 0.9536365502020844
Energy: 0.9326447204755701
Energy: 0.9341051444392464
Energy: 0.9359754750547487
Energy: 0.9463671577166617
Energy: 0.9328135303338203
Energy: 0.9555222466265643
Energy: 0.9312684193743564
Energy: 0.9320333283453436
Energy: 0.9611416180977738
Energy: 0.9409141217628285
Energy: 0.9318927896129358
Energy: 0.9617399990237938
Energy: 0.9190030560114933
Energy: 0.939488782918035
Energy: 0.9195374716380513
Energy: 0.956787949750063
Energy: 0.9409058210549065

minimum gb energy = 0.9180603126698672 eV
minimum distance =  2.49465293979026 Angstroms
sigma value = 27


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

Energy: 1.4362011617995265
Energy: 0.8952031392244895
Energy: 0.8896625774172612
Energy: 0.8905322990406189
Energy: 1.3460278492379139
Energy: 0.8890762774665159
Energy: 0.9358034809411342
Energy: 0.9103987419886707
Energy: 0.9086763239869009
Energy: 0.9172833302350647
Energy: 0.9174455761327921
Energy: 0.9086372597498132
Energy: 0.9313278038271848
Energy: 0.9180876196073732
Energy: 0.9198966559932444
Energy: 0.9053208707460457
Energy: 0.913253339610115
Energy: 0.9349932451675264
Energy: 0.9241204291100451
Energy: 0.9085727423138407
Energy: 0.9107507259814659
Energy: 0.9176541685043464
Energy: 0.9079519076262696
Energy: 0.913182769777508
Energy: 0.9291753125084251
Energy: 0.9039020734342476
Energy: 0.9070110455855935
Energy: 0.9163213260072247
Energy: 0.9041192182867548
Energy: 0.8981897377310446
Energy: 0.9299975681716969
Energy: 0.9111656653480055
Energy: 0.9095934807747288
Energy: 0.9222826988195002
Energy: 0.916363797421114
Energy: 0.9098237908080231
Energy: 0.9190834996042029
Energy: 0.9226452414777433
Energy: 0.9193608426246948
Energy: 0.9194394788722373
Energy: 0.9029628958341771
Energy: 0.9110896440618872
Energy: 0.9547469907746153
Energy: 0.9194341333887428
Energy: 0.916681420934552
Energy: 0.9231553187344108
Energy: 0.9287071069273128
Energy: 0.9175567259269743
Energy: 0.9538832510121601
Energy: 0.90626192700543
Energy: 0.9156169358092372
Energy: 0.9166349952252554
Energy: 0.9126404157128527
Energy: 0.8995821062033849
Energy: 0.9471351387934729
Energy: 0.9131037431636333
Energy: 0.9112249118414568
Energy: 0.9120341513668472
Energy: 0.9233541399265819
Energy: 0.9213245000915201
Energy: 0.9534589114499793
Energy: 0.915548537931314
Energy: 0.914662523294775
Energy: 0.9216956459993613
Energy: 0.8867621896322052
Energy: 0.915274841751249
Energy: 0.9546116462829068
Energy: 0.9157892912867558
Energy: 0.9127517983878278
Energy: 0.9385694057372929
Energy: 0.9170162143816373
Energy: 0.911980580282692
Energy: 0.9949261577733649
Energy: 0.9099100618216768
Energy: 0.9206396573502879
Energy: 0.9180571235964629
Energy: 0.8992314451972854
Energy: 0.9168104126241904
Energy: 0.9908496968493102
Energy: 0.9173230598664583
Energy: 0.9159845601662524
Energy: 0.9337476941756296
Energy: 0.9187199949456265
Energy: 0.9165850421874691
Energy: 0.9510338863670068
Energy: 0.9114446733560249
Energy: 0.9111039850095236
Energy: 0.9402781929205211
Energy: 0.9144622521517344
Energy: 0.9119988720840418
Energy: 0.9345104451674858
Energy: 0.9085383707248359
Energy: 0.9076132335314292
Energy: 0.9187118303617628
Energy: 0.9145921843661967
Energy: 0.9096442425937404
Energy: 0.9295680579618637
Energy: 0.9039789918157735
Energy: 0.9035160737290596
Energy: 0.9230031990818839
Energy: 0.9041375880771221
Energy: 0.903832510708475
Energy: 0.9359606840914162
Energy: 0.9119135673329285
Energy: 0.9111526696937724
Energy: 0.9165608096037814
Energy: 0.9243935342765285
Energy: 0.9099945725465572
Energy: 0.9244427769745561
Energy: 0.898523599155191
Energy: 0.9091378409928453
Energy: 0.9258834184811103
Energy: 0.8986104841733643
Energy: 0.9087920353643587
Energy: 0.927272016319414
Energy: 0.9109038930503717
Energy: 0.9090962961146885
Energy: 0.9200369938252285
Energy: 0.8985410505367398
Energy: 0.8982974109951459
Energy: 0.9265092926189431
Energy: 0.9151996375947018
Energy: 0.9131017013491814
Energy: 0.9135393162807219
Energy: 0.9182421645663242
Energy: 0.9118804325785196
Energy: 0.9242478053490097
Energy: 0.9100257218378967
Energy: 0.9085559026029125
Energy: 0.9148599666965727
Energy: 0.9089499597258005
Energy: 0.9100810813692464
Energy: 0.9469390975016339
Energy: 0.9148820154776935
Energy: 0.9091463801632771
Energy: 0.9264051974216055
Energy: 0.9038793198777996
Energy: 0.9106156588430715
Energy: 0.9267106878379042
Energy: 0.9150839089589929
Energy: 0.9142760624441136
Energy: 0.9182515578544463
Energy: 0.9097255682277183
Energy: 0.9100401437173874
Energy: 0.9995932103761953
Energy: 0.922801297154113
Energy: 0.9226703132966811
Energy: 0.8874227433709716
Energy: 0.9251445980286883
Energy: 0.8852051905810879

minimum gb energy = 0.8852051905810879 eV
minimum distance =  2.5257534330962 Angstroms
sigma value = 19


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

Energy: 0.9440932423220196
Energy: 0.8840464858328559
Energy: 0.9107764624862775
Energy: 0.901255726868775
Energy: 0.8810282298111562
Energy: 0.9102096731121916
Energy: 0.9229873148077193
Energy: 0.8933525984397828
Energy: 0.8910195931094375
Energy: 0.8891705803549047
Energy: 0.8973198759518246
Energy: 0.8917044621139133
Energy: 0.9194466662266358
Energy: 0.8904244952806273
Energy: 0.88952086489077
Energy: 0.9019857528295947
Energy: 0.8931832649470711
Energy: 0.8894585186604061
Energy: 0.9155824975255779
Energy: 0.8931912104600218
Energy: 0.8936286102121057
Energy: 0.8934688497814354
Energy: 0.890310072086218
Energy: 0.893783197593577
Energy: 0.9151883241267932
Energy: 0.8890122479522428
Energy: 0.88858430419921
Energy: 0.9077863965069298
Energy: 0.8867508224889726
Energy: 0.8883370997156094
Energy: 0.9195007925813677
Energy: 0.8911715016168715
Energy: 0.8925982586282086
Energy: 0.9031481488969457
Energy: 0.8913991549244115
Energy: 0.8937178488236063
Energy: 0.9095348474458735
Energy: 0.8852965450210626
Energy: 0.8845964204486736
Energy: 0.8917701245546028
Energy: 0.8883393217530603
Energy: 0.8854074846560748
Energy: 0.9117309026595
Energy: 0.8867974560720056
Energy: 0.8907310963074875
Energy: 0.8963981028812285
Energy: 0.8881862006634776
Energy: 0.893503869873493
Energy: 0.903712355902707
Energy: 0.8908290138819164
Energy: 0.8910418596438063
Energy: 0.8951604210523061
Energy: 0.8906310724072376
Energy: 0.8899869693459337
Energy: 0.9159987646683986
Energy: 0.8881295717580917
Energy: 0.8871226845506571
Energy: 0.8942593617503402
Energy: 0.8896973219047386
Energy: 0.8873586173685385
Energy: 0.9195253230934005
Energy: 0.8755203255798549
Energy: 0.874614731212774
Energy: 0.9177023223183627
Energy: 0.8775856595905317
Energy: 0.8756753992922036
Energy: 0.9229041723487028
Energy: 0.8741423941676033
Energy: 0.8872166599794264
Energy: 0.8777408801975843
Energy: 0.8811458171266658
Energy: 0.8734077626693375
Energy: 0.9293639855513862
Energy: 0.8752301735242379
Energy: 0.8850653404420703
Energy: 0.8910439589334835
Energy: 0.8767648729829406
Energy: 0.8851854726941178
Energy: 0.9350962778081068
Energy: 0.8942780695498884
Energy: 0.8917665187343334
Energy: 0.8775654263435889
Energy: 0.8930338867982062
Energy: 0.8881292730725713
Energy: 0.9225514487615992
Energy: 0.8782120662012146
Energy: 0.8768169679928477
Energy: 0.8774469759080803
Energy: 0.8754794229841178
Energy: 0.8777939920879105
Energy: 0.9318367746018257
Energy: 0.8758643928243348
Energy: 0.8757997189026119
Energy: 0.8742532535493555
Energy: 0.8774114098944786
Energy: 0.8764185927315192
Energy: 0.9082965299341023
Energy: 0.8869945134275984
Energy: 0.8974869192995509
Energy: 0.8785879903382137
Energy: 0.8911899482376392
Energy: 0.8995286580799756
Energy: 0.9207125519763907
Energy: 0.8738817883942613
Energy: 0.8760096806600527
Energy: 0.8675903210856453
Energy: 0.8741699677127656
Energy: 0.874061864050239
Energy: 0.9290555502290019
Energy: 0.8756815187765884
Energy: 0.8759769462633965
Energy: 0.8951779827721573
Energy: 0.8754356401048315
Energy: 0.8893279548928751
Energy: 0.9118576481166064
Energy: 0.8762023551935486
Energy: 0.8764480987747811
Energy: 0.894568413500347
Energy: 0.8769617261931261
Energy: 0.8886203411753572
Energy: 0.8791225537293509
Energy: 0.8737867782933868
Energy: 0.8733723151400588
Energy: 0.8780141963229827
Energy: 0.8738929139489903
Energy: 0.8720151878098737
Energy: 0.8777865521937624
Energy: 0.8756683290015308
Energy: 0.874544995789604
Energy: 0.8788844880187009
Energy: 0.8758770450893041
Energy: 0.8744360339786696
Energy: 0.9000337019155834
Energy: 0.9000047393825474
Energy: 0.8996737736712959
Energy: 0.8953206640466949
Energy: 0.8721896584297979
Energy: 0.872392207585767
Energy: 0.9209712873137239
Energy: 0.8700534111449418
Energy: 0.8738964849922661
Energy: 0.9079599833006476
Energy: 0.8720836636238839
Energy: 0.8754572044175789
Energy: 0.9092355771565417
Energy: 0.8771049783512872
Energy: 0.8770692984013989
Energy: 0.8834795992352886
Energy: 0.8765688021353133
Energy: 0.8760495107847324
Energy: 0.914869858022447
Energy: 0.8895163954988726
Energy: 0.8883269889821804
Energy: 0.8929832683609116
Energy: 0.8957195495911896
Energy: 0.8912369459984965
Energy: 0.919603099400799
Energy: 0.8897992503173103
Energy: 0.8871435381276079
Energy: 0.8968136308772284
Energy: 0.8957898636437922
Energy: 0.8872160298577172
Energy: 0.9199639709594789
Energy: 0.8895276147182456
Energy: 0.8909210243979822
Energy: 0.8892049527646965
Energy: 0.8966971405675597
Energy: 0.8910078894354382
Energy: 0.9186421944611022
Energy: 0.9264205518357185
Energy: 0.9259374038780052
Energy: 0.8693168781982589
Energy: 0.913164524184065
Energy: 0.8818807163500232

minimum gb energy = 0.8675903210856453 eV
minimum distance =  2.49993000856335 Angstroms
sigma value = 101


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

Energy: 1.352454651672631
Energy: 0.8524269496889567
Energy: 0.8601589768037916
Energy: 0.832493115622892
Energy: 0.8452954484751213
Energy: 0.8330099785279708
Energy: 0.9677221403397063
Energy: 0.8463137400329976
Energy: 0.8491471514384608
Energy: 0.8429122398667361
Energy: 0.847413614275781
Energy: 0.8486658710109808
Energy: 0.8980372823039908
Energy: 0.8430453093250903
Energy: 0.8439221837010284
Energy: 0.8568002007781743
Energy: 0.8437552923807086
Energy: 0.8459526824940765
Energy: 0.8880124651336645
Energy: 0.8466014215505471
Energy: 0.8465478985474615
Energy: 0.8474825758142676
Energy: 0.8452937002688127
Energy: 0.8463699199355674
Energy: 0.8652511990875998
Energy: 0.860327268574281
Energy: 0.8592244086078408
Energy: 0.8577019982013709
Energy: 0.8568942875155167
Energy: 0.8601505570653664
Energy: 0.8605038286134243
Energy: 0.8464293405628395
Energy: 0.8463953084934228
Energy: 0.8478550175678999
Energy: 0.8458086474009369
Energy: 0.8466471341035406
Energy: 0.8812979096216541
Energy: 0.8396934024715431
Energy: 0.8411402815580736
Energy: 0.8561532440476622
Energy: 0.8398477590980373
Energy: 0.8430422598490145
Energy: 0.871228938957478
Energy: 0.844626737050725
Energy: 0.8453409421945903
Energy: 0.8658439910750478
Energy: 0.8474677076546093
Energy: 0.8472726108824833
Energy: 0.8484022973058185
Energy: 0.8467597758582862
Energy: 0.8467912437135485
Energy: 0.8428607306882164
Energy: 0.8540247312260213
Energy: 0.8437657198937748
Energy: 0.8588760296730954
Energy: 0.8570768182606338
Energy: 0.8542258806052879
Energy: 0.8438198271642927
Energy: 0.8604070564193221
Energy: 0.8535015504928631
Energy: 0.8661309190553188
Energy: 0.8315817145759612
Energy: 0.8334311666902656
Energy: 0.8463249237931946
Energy: 0.8313073097932386
Energy: 0.8352957773000915
Energy: 0.9089302922118787
Energy: 0.8458247331695554
Energy: 0.8511941332884778
Energy: 0.8506203965167206
Energy: 0.8423936572361146
Energy: 0.8519623798581147
Energy: 0.8677552039887897
Energy: 0.8534440811693934
Energy: 0.8467842310756053
Energy: 0.8385152030613292
Energy: 0.852079034504917
Energy: 0.8449294564587438
Energy: 0.8719109083140592
Energy: 0.855382834573214
Energy: 0.8531924372878041
Energy: 0.8399376658456239
Energy: 0.8489428065229537
Energy: 0.8503035361595815
Energy: 0.8999667144427752
Energy: 0.8449041594672322
Energy: 0.8458413892469395
Energy: 0.8592593827350836
Energy: 0.844986168126273
Energy: 0.8485970743450004
Energy: 0.898068359192634
Energy: 0.8454660659753086
Energy: 0.8476238248449269
Energy: 0.848733850971184
Energy: 0.846339908561529
Energy: 0.8467146390543769
Energy: 0.8651870917364435
Energy: 0.8415669180867856
Energy: 0.854741117265042
Energy: 0.8238475182426496
Energy: 0.8413982714728259
Energy: 0.8315859791568545
Energy: 0.9333904814045828
Energy: 0.8479272093345077
Energy: 0.8475712713024675
Energy: 0.8520075112309647
Energy: 0.8454922872490825
Energy: 0.8526799914773744
Energy: 0.8978368703924465
Energy: 0.8438620376210356
Energy: 0.8452948916952109
Energy: 0.8550580693003982
Energy: 0.8435691105457028
Energy: 0.8464081804623936
Energy: 0.8861625715897591
Energy: 0.8453525241129015
Energy: 0.8463290513251848
Energy: 0.8457730203545382
Energy: 0.8440999823811153
Energy: 0.8474735179718357
Energy: 0.8671744044035635
Energy: 0.8559363322835044
Energy: 0.8466693902333176
Energy: 0.8543420514343418
Energy: 0.8557159395847387
Energy: 0.8532518270908336
Energy: 0.862228779710315
Energy: 0.8475650264050834
Energy: 0.8498739865253536
Energy: 0.8458799590246472
Energy: 0.8473299088394638
Energy: 0.8497985748907372
Energy: 0.8706446026413351
Energy: 0.842243676984252
Energy: 0.8432408925392357
Energy: 0.8578807416328788
Energy: 0.8398729259107669
Energy: 0.844511427100815
Energy: 0.8472273939905325
Energy: 0.8456636033228172
Energy: 0.8471647973764697
Energy: 0.8590586610234302
Energy: 0.8445710130456361
Energy: 0.8541856575506912
Energy: 0.8568570104761136
Energy: 0.8512255905458446
Energy: 0.8485947608253076
Energy: 0.8445070348215256
Energy: 0.8474335507553663
Energy: 0.8465238350159362
Energy: 0.8492299557292072
Energy: 0.8548599782437596
Energy: 0.8513560847094167
Energy: 0.8422309148370296
Energy: 0.8458550996896257
Energy: 0.8494310886458942
Energy: 0.8889217765849423
Energy: 0.831780267159663
Energy: 0.8326110687025051
Energy: 0.8444722350539527
Energy: 0.8306612059705919
Energy: 0.8348341614301831
Energy: 0.8985875042443962
Energy: 0.8306778355293117
Energy: 0.839732393207221
Energy: 0.849051368496492
Energy: 0.828933755269202
Energy: 0.8519539761879051
Energy: 0.8737050512096418
Energy: 0.8542577335357949
Energy: 0.8512369394467089
Energy: 0.841265875078688
Energy: 0.8508946425588184
Energy: 0.8491360754450602
Energy: 0.8702687920378509
Energy: 0.8490620754239098
Energy: 0.8469562288038051
Energy: 0.8398836647299394
Energy: 0.8462444943515568
Energy: 0.8459759412315843
Energy: 0.8986598212313189
Energy: 0.8470406676799387
Energy: 0.8477807924072064
Energy: 0.8501479111388699
Energy: 0.841430077317757
Energy: 0.8493432672558207
Energy: 0.8980871042278455
Energy: 0.8428312783584158
Energy: 0.8478332344802768
Energy: 0.8467249864112301
Energy: 0.8421507710577305
Energy: 0.8486646996576166
Energy: 0.8657069598660034
Energy: 0.8479177903684808
Energy: 0.8467577669476055
Energy: 0.8297083196007369
Energy: 0.8419750485147293
Energy: 0.845293140301472

minimum gb energy = 0.8238475182426496 eV
minimum distance =  2.50137691171196 Angstroms
sigma value = 33


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

Energy: 0.014733296229820088
Energy: 0.01582498061815751
Energy: 0.015599329258026167
Energy: 0.016771739195246677
Energy: 0.9332387406091444
Energy: 0.015423874447563926
Energy: 0.016380741082860386
Energy: 0.10765162905845034
Energy: 0.10631606126481111
Energy: 0.10594330477224348
Energy: 0.10839382734722189
Energy: 0.10592759947289074
Energy: 1.2554717814422638
Energy: 0.9316719982348515
Energy: 0.9313032155377299
Energy: 0.9298291322902702
Energy: 0.9324409637466278
Energy: 0.9300854665690996
Energy: 0.4229907597437713
Energy: 0.1076516290580674
Energy: 0.10631606126555573
Energy: 0.10594330477260515
Energy: 0.10839382734683892
Energy: 0.1059275994732524

minimum gb energy = 0.014733296229820088 eV
minimum distance =  2.71823816960391 Angstroms
sigma value = 1