Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_003
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.646125234663486
cohesive_energy=3.9070925642619274
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.014877314764344434
Energy: 0.015382199930889528
Energy: 0.015803449244285145
Energy: 0.015382199931471828
Energy: 0.015382199930889528
Energy: 1.6547840244078063
Energy: 0.015382199930889528
Energy: 1.6547840244078063
Energy: 0.015803449244867446
Energy: 0.015382199930889528
Energy: 0.014877314764344434
Energy: 0.015382199931471828
Energy: 0.015382199930889528
Energy: 1.6547840244090395
Energy: 0.015382199930889528
Energy: 1.6547840244078063

minimum gb energy = 0.014877314764344434 eV
minimum distance =  2.46587900045729 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.6796730480418824
Energy: 1.751321340604347
Energy: 1.495338311085771
Energy: 1.751321340604347
Energy: 1.6104667975421731
Energy: 1.7411641207291608
Energy: 1.6076678206025554
Energy: 1.7411641207291608
Energy: 1.4548104371173132
Energy: 1.7315718867191614
Energy: 1.6045489994554896
Energy: 1.7315718867184136
Energy: 1.5871571555253685
Energy: 1.7665906065254378
Energy: 1.5976023207027106
Energy: 1.7665906065254378
Energy: 1.5909205808887457
Energy: 1.7522974353815275
Energy: 1.5804864785418915
Energy: 1.7522974353807799
Energy: 1.5278212093485288
Energy: 1.7026106404693577
Energy: 1.567706119912369
Energy: 1.7026106404693577
Energy: 1.6101375281018788
Energy: 1.7314661344916022
Energy: 1.5296378456602056
Energy: 1.7314661344916022
Energy: 1.4240939666914352
Energy: 1.7517685361955748
Energy: 1.5582374821575233
Energy: 1.7517685361955748
Energy: 1.597617646344817
Energy: 1.610420937464314
Energy: 1.599292332022793
Energy: 1.6104209374650615
Energy: 1.5741944603702158
Energy: 1.7310032364544827
Energy: 1.4101970374027981
Energy: 1.7310032364537349
Energy: 1.599703677856192
Energy: 1.7058557683442777
Energy: 1.5976855670063996
Energy: 1.7058557683442777
Energy: 1.5690767207326632
Energy: 1.7516772118092097
Energy: 1.5927983050511592
Energy: 1.7516772118099573
Energy: 1.6058998091458745
Energy: 1.7312328432994475
Energy: 1.6143301781151849
Energy: 1.7312328433001953
Energy: 1.607242670268561
Energy: 1.7418983252358782
Energy: 1.5902797797611061
Energy: 1.7418983252343827
Energy: 1.5165632432655143
Energy: 1.7518841098820364
Energy: 1.602912238538182
Energy: 1.7518841098820364
Energy: 1.4978444825522124
Energy: 1.751409171578695
Energy: 1.6032447451812752
Energy: 1.751409171578695
Energy: 1.604760913578153
Energy: 1.7314923993673255
Energy: 1.506394651604829
Energy: 1.7314923993680733
Energy: 1.6081155670083176
Energy: 1.7316513654226302
Energy: 1.6102908845668553
Energy: 1.7316513654218826
Energy: 1.4489253724047204
Energy: 1.7512672519175676
Energy: 1.6153761522401116
Energy: 1.7512672519175676
Energy: 1.6077944852664463
Energy: 1.6118684720646272
Energy: 1.6001439510779347
Energy: 1.6118684720661227
Energy: 1.5704483862742835
Energy: 1.7312247111495747
Energy: 1.4567442397127972
Energy: 1.7312247111503223
Energy: 1.5981410348226626
Energy: 1.7208878420965856
Energy: 1.5871182903233452
Energy: 1.7208878420973333
Energy: 1.5889371885619186
Energy: 1.752022126734183
Energy: 1.5076029476331878
Energy: 1.752022126734183
Energy: 1.5682540233385696
Energy: 1.7321088492711896
Energy: 1.527772462692681
Energy: 1.7321088492719374
Energy: 1.5296045020838283
Energy: 1.700376629961372
Energy: 1.6104125115394976
Energy: 1.7003766299628675
Energy: 1.4221171566813973
Energy: 1.7516334366162027
Energy: 1.4239350771937713
Energy: 1.751633436615455
Energy: 1.5991544195492795
Energy: 1.7407715700527941
Energy: 1.5969840994954483
Energy: 1.7407715700498032
Energy: 1.408758344235936
Energy: 1.731240782285286
Energy: 1.603798854941709
Energy: 1.7312407822860336
Energy: 1.6072199264367355
Energy: 1.7456743352642112
Energy: 1.5993850999047856
Energy: 1.745674335264959
Energy: 1.6304955868416147
Energy: 1.7515431720306183
Energy: 1.5696658690865275
Energy: 1.7515431720306183
Energy: 1.6149084892080556
Energy: 1.7406815586583197
Energy: 1.6054918247295462
Energy: 1.7406815586583197
Energy: 1.5695389636485013
Energy: 1.7318417129629113
Energy: 1.6067094708830925
Energy: 1.7318417129621635
Energy: 1.590338737328384
Energy: 1.766056781622851
Energy: 1.6010825527108978
Energy: 1.766056781622851

minimum gb energy = 1.408758344235936 eV
minimum distance =  2.28214809739724 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.7977625674359519
Energy: 1.8856783939778146
Energy: 1.6009312400777822
Energy: 1.885678393981225
Energy: 1.69917168313286
Energy: 1.8292548370248578
Energy: 1.7040836304443445
Energy: 1.8292548370240054
Energy: 1.502007093050778
Energy: 1.8855868200313208
Energy: 1.7136772926882688
Energy: 1.8855868200321733
Energy: 1.6888278261574117
Energy: 1.8064694207656726
Energy: 1.62999600501626
Energy: 1.8064694207682306
Energy: 1.6894885169632876
Energy: 1.8572198726318174
Energy: 1.6954977878026742
Energy: 1.857219872630112
Energy: 1.7117828557711063
Energy: 1.857803976314899
Energy: 1.648245886366403
Energy: 1.8578039763140466
Energy: 1.6894783841898393
Energy: 1.8049925029913176
Energy: 1.7117881726223505
Energy: 1.8049925029904648
Energy: 1.5015160540874348
Energy: 1.8860391388361668
Energy: 1.6006306945537025
Energy: 1.8860391388361668
Energy: 1.690765574477075
Energy: 1.7369111447196277
Energy: 1.7041484709429975
Energy: 1.7369111447162173
Energy: 1.7255177254831509
Energy: 1.8861935243345054
Energy: 1.6018073975214833
Energy: 1.8861935243370633
Energy: 1.689474839893716
Energy: 1.8550599654513225
Energy: 1.7115028477132064
Energy: 1.8550599654513225
Energy: 1.596864665125572
Energy: 1.8718023917532944
Energy: 1.7119065571778151
Energy: 1.8718023917549993
Energy: 1.7292748572519743
Energy: 1.856741232298289
Energy: 1.6934701626072266
Energy: 1.856741232296584
Energy: 1.729338896522527
Energy: 1.8567120948560079
Energy: 1.6035310349244187
Energy: 1.8567120948585265
Energy: 1.5966244056347774
Energy: 1.8717483547792004
Energy: 1.7128306215767533
Energy: 1.8717483547774951
Energy: 1.6895191212137202
Energy: 1.855141792717252
Energy: 1.711542714919322
Energy: 1.8551417927206237
Energy: 1.7254952305943072
Energy: 1.885706265690645
Energy: 1.547423176050486
Energy: 1.8857062656914974
Energy: 1.690410736181334
Energy: 1.7369042460730935
Energy: 1.704307480741225
Energy: 1.7369042460713886
Energy: 1.501514364354029
Energy: 1.8861493755102805
Energy: 1.6431303143804212
Energy: 1.886149375517101
Energy: 1.6895230209607168
Energy: 1.8049644169040813
Energy: 1.6274562586360244
Energy: 1.8049644169040813
Energy: 1.7114912279207317
Energy: 1.8575350072342043
Energy: 1.5951850754286991
Energy: 1.8575350072359096
Energy: 1.6892914781682808
Energy: 1.8573457209429924
Energy: 1.600153957648804
Energy: 1.8573457209446975
Energy: 1.6888290911488926
Energy: 1.806627149033258
Energy: 1.7118979376478536
Energy: 1.8066271490341106
Energy: 1.5019740018176688
Energy: 1.8855848685028833
Energy: 1.7124880746131788
Energy: 1.8855848685062937
Energy: 1.6989916217072218
Energy: 1.8291365615456414
Energy: 1.7040899988818723
Energy: 1.8291365615490516
Energy: 1.7977625674376572
Energy: 1.8856783939778146
Energy: 1.6851589980711623
Energy: 1.8856783939820776
Energy: 1.6991716831337125
Energy: 1.8292548370265627
Energy: 1.7040836304417868
Energy: 1.8292548370248578
Energy: 1.502007093050778
Energy: 1.8855868200321733
Energy: 1.7041646865506035
Energy: 1.8855868200338783
Energy: 1.6888278261574117
Energy: 1.8064694207639678
Energy: 1.6179078390269457
Energy: 1.806469420769083

minimum gb energy = 1.501514364354029 eV
minimum distance =  2.26590110011136 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.9159230408211374
Energy: 2.005723515230499
Energy: 1.7255295063498282
Energy: 2.005723515230499
Energy: 1.7369085646272604
Energy: 1.9618773664515432
Energy: 1.8287067174274412
Energy: 1.9618773664515432
Energy: 1.609640365842953
Energy: 2.0512557196302423
Energy: 1.835762435492881
Energy: 2.0512557196302423
Energy: 1.8116401603312087
Energy: 1.9852501836305632
Energy: 1.738742459337971
Energy: 1.9852501836315541
Energy: 1.737606773759674
Energy: 2.005297870534299
Energy: 1.7269116596868939
Energy: 2.005297870534299
Energy: 1.8601969455927534
Energy: 2.0505924593287967
Energy: 1.8325935738638135
Energy: 2.0505924593287967
Energy: 1.8319409442244559
Energy: 1.8399726295801593
Energy: 1.7834260912547204
Energy: 1.8399726295851144
Energy: 1.84109770297462
Energy: 2.0055697178864507
Energy: 1.6395390998039843
Energy: 2.0055697178864507
Energy: 1.7833103093640117
Energy: 1.9396746439033328
Energy: 1.8322490400027214
Energy: 1.9396746439033328
Energy: 1.8282907350642976
Energy: 2.0510833276696316
Energy: 1.719971313549308
Energy: 2.051083327670623
Energy: 1.8205364965314208
Energy: 2.0049187790700613
Energy: 1.827909690320042
Energy: 2.00491877906907
Energy: 1.7390212140492378
Energy: 2.0054068982728146
Energy: 1.8278422113155521
Energy: 2.0054068982619127
Energy: 1.8290027649658211
Energy: 1.9722762596279555
Energy: 1.7205354895809288
Energy: 1.9722762596289467
Energy: 1.7830627508567045
Energy: 1.8579012472405378
Energy: 1.8313911342674913
Energy: 1.8579012472385557
Energy: 1.610879938986313
Energy: 2.00572970269119
Energy: 1.6367542253168692
Energy: 2.00572970269119
Energy: 1.8286687001414084
Energy: 1.8394653022881846
Energy: 1.7377862370407924
Energy: 1.8394653022881846
Energy: 1.6094885945396606
Energy: 2.051597236908307
Energy: 1.6090448228293548
Energy: 2.0515972369073157
Energy: 1.7386193204697977
Energy: 2.0059056966059075
Energy: 1.8114344632921793
Energy: 2.0059056966059075
Energy: 1.7268124515866663
Energy: 1.973938839888785
Energy: 1.7376967372642538
Energy: 1.973938839889776
Energy: 1.7361853570621333
Energy: 2.0504036663240597
Energy: 1.8319557932614672
Energy: 2.0504036663240597
Energy: 1.8468857734362343
Energy: 1.947569287249759
Energy: 1.8313908332714035
Energy: 1.94756928725075
Energy: 1.8662116195705705
Energy: 2.005296556373698
Energy: 1.8254833642108979
Energy: 2.005296556372707
Energy: 1.832140372401656
Energy: 1.9497913486715246
Energy: 1.8285752357986684
Energy: 1.9497913486705334
Energy: 1.61022163429555
Energy: 2.0512224862902593
Energy: 1.8282906113626898
Energy: 2.0512224862892685
Energy: 1.8284161404231822
Energy: 1.9742332331223262
Energy: 1.7392555223513695
Energy: 1.974233233121335

minimum gb energy = 1.6090448228293548 eV
minimum distance =  2.26212207276842 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 2.076094948478484
Energy: 2.0460201130610822
Energy: 1.8682329021058066
Energy: 2.046020113064629
Energy: 1.9048185810757248
Energy: 2.114624778567284
Energy: 1.9619368171224956
Energy: 2.1146247785684666
Energy: 1.7278492093218478
Energy: 2.0434494793866347
Energy: 1.87194520309928
Energy: 2.0434494793866347
Energy: 1.9859047881985965
Energy: 2.1892344885996136
Energy: 1.7805884112026071
Energy: 2.189234488601978
Energy: 2.0349524972142423
Energy: 2.1149074964494594
Energy: 1.8716391585894954
Energy: 2.1149074964518237
Energy: 1.726228140089395
Energy: 1.9981934650988902
Energy: 1.7673731166447453
Energy: 1.9981934651071662
Energy: 1.9877459813459055
Energy: 1.7811643522151352
Energy: 1.78371199252115
Energy: 1.7811643522115885
Energy: 1.8684880572281266
Energy: 1.9993952382737077
Energy: 1.7686738497021117
Energy: 1.9993952382760722
Energy: 1.98932477638051
Energy: 2.115057453027389
Energy: 1.9704445505543637
Energy: 2.115057453027389
Energy: 1.9846980983870026
Energy: 1.9874994992464372
Energy: 1.7806435270613612
Energy: 1.9874994992452548
Energy: 1.8560149462154025
Energy: 2.1470959972549752
Energy: 1.8720424166496914
Energy: 2.1470959972549752
Energy: 1.9850199307273921
Energy: 2.0240071847485024
Energy: 1.780451812308413
Energy: 2.0240071847496846
Energy: 1.727309186261987
Energy: 2.044597373003587
Energy: 1.78814713658482
Energy: 2.044597373005952
Energy: 1.861301423343925
Energy: 2.000923889233459
Energy: 1.9621592634520508
Energy: 2.0009238892322765
Energy: 1.7273759796216464
Energy: 2.044506173538116
Energy: 1.8686098607245867
Energy: 2.0445061735392978
Energy: 1.9851330508298108
Energy: 2.023057645664846
Energy: 1.7804543012044167
Energy: 2.0230576456660283
Energy: 1.8560667928746493
Energy: 2.1471087510125826
Energy: 1.8717575068658252
Energy: 2.147108751013765
Energy: 1.9846170219700596
Energy: 1.9879981604234878
Energy: 1.7807094857444439
Energy: 1.9879981604223054
Energy: 1.9896371487258058
Energy: 2.115119720531903
Energy: 1.871340311339273
Energy: 2.115119720531903
Energy: 1.8684805396663011
Energy: 1.9993795369270884
Energy: 1.7686298968388232
Energy: 1.999379536925906
Energy: 1.989258993261762
Energy: 1.781187903388907
Energy: 1.7836328228741012
Energy: 1.7811879033912719

minimum gb energy = 1.726228140089395 eV
minimum distance =  2.34338114198579 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.9040050450083452
Energy: 2.3147369361445467
Energy: 2.03659503764632
Energy: 2.3147369361430847
Energy: 1.8787749222136523
Energy: 2.141937578495615
Energy: 1.8573660511618966
Energy: 2.141937578495615
Energy: 1.8594484771200908
Energy: 1.9012838636827158
Energy: 1.8572777317950127
Energy: 1.9012838636827158
Energy: 1.8996326705331825
Energy: 2.147503424902398
Energy: 2.026115244567443
Energy: 2.147503424902398
Energy: 2.027893832775328
Energy: 1.877813953603213
Energy: 1.9541137718277748
Energy: 1.8778139536017506
Energy: 1.8571871168786562
Energy: 2.3584817394449926
Energy: 1.8591138543644201
Energy: 2.3584817394449926
Energy: 1.9232449767400464
Energy: 1.8800562705075656
Energy: 1.857328998697474
Energy: 1.880056270511952
Energy: 2.026195267402352
Energy: 2.3172171212659016
Energy: 1.8989433157341307
Energy: 2.3172171212659016
Energy: 1.857317249253211
Energy: 2.141633725304728
Energy: 1.8781282505452583
Energy: 2.1416337253032665
Energy: 2.096398163799003
Energy: 1.9214310057351789
Energy: 1.8580086179476831
Energy: 1.9214310057395654
Energy: 1.9330379828029804
Energy: 2.3191828465188298
Energy: 2.1891289816587576
Energy: 2.3191828465188298
Energy: 1.857504632267283
Energy: 1.9210991900186667
Energy: 2.0972189574563287
Energy: 1.9210991900186667
Energy: 2.037197258814471
Energy: 1.9002579928414394
Energy: 1.858617965241315
Energy: 1.9002579928414394
Energy: 1.857228494946157
Energy: 1.8796137792251681
Energy: 1.9001188722618612
Energy: 1.8796137792251681
Energy: 1.857022136459821
Energy: 2.3176478433740284
Energy: 2.0288975177958433
Energy: 2.3176478433740284
Energy: 1.87818998172103
Energy: 1.9779394500699776
Energy: 1.8574154702357497
Energy: 1.9779394500889855
Energy: 1.8576605263761665
Energy: 2.010907892619184
Energy: 2.0972258190125026
Energy: 2.010907892620646

minimum gb energy = 1.857022136459821 eV
minimum distance =  2.33070550008098 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.159725959077627
Energy: 2.1553382038772244
Energy: 2.2468758098134023
Energy: 2.1553382038772244
Energy: 2.0877995784231604
Energy: 2.0291536237727006
Energy: 1.9120069722957926
Energy: 2.0291536237727006
Energy: 2.0732644359630648
Energy: 2.0405933127905937
Energy: 1.9117497534791037
Energy: 2.0405933127897655
Energy: 1.9159244412823917
Energy: 1.9345095607706118
Energy: 2.025551230801621
Energy: 1.9345095607954546
Energy: 2.1236562840495496
Energy: 2.041222364076033
Energy: 1.9645780187458288
Energy: 2.041222364076033
Energy: 1.9350678428990038
Energy: 1.9730742738582139
Energy: 2.0569064763521725
Energy: 1.973074273860698
Energy: 1.9127271793924896
Energy: 2.0258734911822325
Energy: 1.911924624330431
Energy: 2.0258734911838885
Energy: 2.0593648543828387
Energy: 1.9313120925697425
Energy: 1.927716474457627
Energy: 1.9313120925656018
Energy: 1.928762001232577
Energy: 2.1020146529676422
Energy: 2.1238230193734307
Energy: 2.1020146529684705
Energy: 2.2277082426149577
Energy: 2.000797812161166
Energy: 1.9122810470875065
Energy: 2.000797812160338
Energy: 1.9208403156265046
Energy: 1.9321599299824272
Energy: 2.0794121703546535
Energy: 1.9321599299849117
Energy: 1.9281365380669087
Energy: 2.026065489151067
Energy: 1.928042816441085
Energy: 2.0260654891518954
Energy: 2.0780596135488456
Energy: 1.9330259080954169
Energy: 1.926754304103957
Energy: 1.9330259080929328
Energy: 1.9118612213821942
Energy: 2.1213121360932528
Energy: 2.0871914422935927
Energy: 2.1213121360932528
Energy: 2.0497286357554523
Energy: 2.0257609460294512
Energy: 1.9288858101121695
Energy: 2.0257609460294512
Energy: 2.0707857125335476
Energy: 1.930849037817714
Energy: 2.0593635398334147
Energy: 1.9308490378185423
Energy: 1.912311804780394
Energy: 2.0777588697975875
Energy: 2.231898641269355
Energy: 2.077758869793447
Energy: 2.1036338289375927
Energy: 1.9197791121436378
Energy: 1.9347795161448
Energy: 1.9197791121527468
Energy: 1.953753430945378
Energy: 2.028666928259643
Energy: 2.0452688700015966
Energy: 2.028666928257986
Energy: 1.911593342823973
Energy: 1.9332817111646878
Energy: 1.9166817449817624
Energy: 1.9332817111431955
Energy: 1.986202519663679
Energy: 1.9162227737335544
Energy: 2.072910636197173
Energy: 1.9162227737327264
Energy: 1.9123778245384493
Energy: 2.169322460208122
Energy: 2.2318632529711833
Energy: 2.169322460208122
Energy: 2.1349116788063296
Energy: 1.9315349144162912
Energy: 1.9137733194537299
Energy: 1.9315349105045094
Energy: 1.9270364766932402
Energy: 2.0258339227545368
Energy: 2.075605849033668
Energy: 2.025833922752052
Energy: 1.9270772446355025
Energy: 2.041735311913705
Energy: 2.073883973531992
Energy: 2.041735311912049
Energy: 2.1001437263859613
Energy: 1.935366816530419
Energy: 1.915684437249675
Energy: 1.9353668165246223
Energy: 1.912417693768098
Energy: 2.1291039525018887
Energy: 2.2792732621038496
Energy: 2.1291039525010604
Energy: 2.0567103113855296
Energy: 1.9766438384516298
Energy: 2.0750008243747513
Energy: 1.9766438384516298
Energy: 2.209403503284501
Energy: 2.1217940071788832
Energy: 1.9124494667943466
Energy: 2.121794007183024
Energy: 1.9279514745852513
Energy: 2.1012420085244163
Energy: 2.104805997663751
Energy: 2.101242008523588

minimum gb energy = 1.911593342823973 eV
minimum distance =  2.32318179297343 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.8806756082982492
Energy: 1.8778835229571444
Energy: 2.1460835549825985
Energy: 1.8778835229590505
Energy: 2.151374528267621
Energy: 2.009524582503147
Energy: 1.9956078090967937
Energy: 2.009524582503147
Energy: 1.8818314167634551
Energy: 1.8774808996213743
Energy: 2.1484923511833802
Energy: 1.8774808996213743
Energy: 1.8819513870699744
Energy: 1.8775118874650532
Energy: 1.9028964297059294
Energy: 1.8775118874669594
Energy: 2.1511417302104943
Energy: 2.0094620851435887
Energy: 2.020123397118888
Energy: 2.0094620851416827
Energy: 1.8806756083001555
Energy: 1.8778835229571444
Energy: 2.252215423240977
Energy: 1.8778835229590505
Energy: 2.151374528267621
Energy: 2.009524582503147
Energy: 2.0867739161824694
Energy: 2.0095245825050534
Energy: 1.8818314167634551
Energy: 1.8774808996213743
Energy: 2.148492351185287
Energy: 1.8774808996213743
Energy: 1.8819513870699744
Energy: 1.8775118874688659
Energy: 1.9952902256208758
Energy: 1.8775118874669594
Energy: 2.1511417302104943
Energy: 2.009462085139776
Energy: 2.109681961520243
Energy: 2.009462085139776
Energy: 1.8806756083001555
Energy: 1.8778835229571444
Energy: 2.3321231020881825
Energy: 1.8778835229571444
Energy: 2.1513745282657144
Energy: 2.0095245825050534
Energy: 2.0867698513238535
Energy: 2.0095245825050534
Energy: 1.8818314167634551
Energy: 1.8774808996194678
Energy: 2.1484923511814746
Energy: 1.8774808996194678

minimum gb energy = 1.8774808996194678 eV
minimum distance =  2.31612308983139 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 2.0272562995431715
Energy: 2.1927082792409864
Energy: 2.4593488187105343
Energy: 2.1927082792374586
Energy: 2.1820421256770266
Energy: 2.070304649668947
Energy: 1.9722571748366964
Energy: 2.0703046496668307
Energy: 1.9659822746122866
Energy: 2.005221660592538
Energy: 1.9846166412571251
Energy: 2.0052216605939495
Energy: 2.112597948254295
Energy: 2.2570197619919328
Energy: 1.9729574977746254
Energy: 2.2570197619940497
Energy: 2.196216681883005
Energy: 2.10327394820929
Energy: 1.9910786937416542
Energy: 2.1032739482107012
Energy: 2.007331624122531
Energy: 2.004905112155601
Energy: 2.1032291435069146
Energy: 2.004905112154895
Energy: 2.4130437115438923
Energy: 2.0976228808044435
Energy: 1.9835272074462442
Energy: 2.097622880803032
Energy: 1.9772674114588422
Energy: 2.2222317957324225
Energy: 2.1369607384259024
Energy: 2.222231795731011
Energy: 1.9697634164154494
Energy: 2.2766068246499067
Energy: 2.0119723371753637
Energy: 2.276606824650612
Energy: 1.9675240257725681
Energy: 2.0821476515853026
Energy: 1.9812658798980205
Energy: 2.0821476515838913
Energy: 1.9797119112424577
Energy: 2.250990220731317
Energy: 2.347330223468294
Energy: 2.250990220731317
Energy: 2.160381365536757
Energy: 2.254400990898168
Energy: 1.9729130099847707
Energy: 2.2544009908988736
Energy: 1.968682918964758
Energy: 2.093036509221603
Energy: 2.264018873780885
Energy: 2.0930365092237193
Energy: 2.1194964415651785
Energy: 2.130393558812211
Energy: 2.0312603528785456
Energy: 2.1303935588108
Energy: 1.9808005579333938
Energy: 2.1562382106027984
Energy: 2.135441535322917
Energy: 2.1562382106049154
Energy: 1.9731168528728658
Energy: 2.274287227829198
Energy: 2.1108281546350742
Energy: 2.274287227829903
Energy: 2.0735977141281623
Energy: 2.156069553352292
Energy: 1.980665353417461
Energy: 2.15606955334947
Energy: 1.984003561926301
Energy: 2.098529839934793
Energy: 2.194526497279364
Energy: 2.098529839935498
Energy: 2.2041777709188684
Energy: 2.091568480482081
Energy: 2.0081737567636146
Energy: 2.0915684805222994
Energy: 1.9740584812736632
Energy: 2.1001142650054074
Energy: 2.0959930383683925
Energy: 2.1001142650068187
Energy: 2.1098075096222204
Energy: 2.2509276445961786
Energy: 2.1156434544589318
Energy: 2.2509276445975894
Energy: 2.096868821873324
Energy: 2.1699656992814114
Energy: 1.9674154374655675
Energy: 2.169965699280706
Energy: 2.0116587689856757
Energy: 2.170983433472834
Energy: 1.9692099048619935
Energy: 2.170983433470717
Energy: 2.416600622310329
Energy: 2.1288196422456385
Energy: 1.9768344681896675
Energy: 2.128819642244227
Energy: 1.9841519167508357
Energy: 2.2027509052251486
Energy: 2.307458242730536
Energy: 2.2027509052265595
Energy: 2.035286649294697
Energy: 2.004754412020541
Energy: 1.9670080406499404
Energy: 2.0047544120198357
Energy: 2.059488615403053
Energy: 2.2384812170158215
Energy: 2.1118788000434026
Energy: 2.2384812170158215
Energy: 1.989067927472452
Energy: 2.2566829513479036
Energy: 2.112825342418497
Energy: 2.256682951345081
Energy: 2.0537773347361905
Energy: 2.004237743669772
Energy: 1.9661353144100457
Energy: 2.004237743669772
Energy: 1.9721562088907318
Energy: 2.2069573050543596
Energy: 2.3082671547787426
Energy: 2.2069573050523066
Energy: 2.3603931292165363
Energy: 2.1921565055633834
Energy: 1.9760732831585484
Energy: 2.192156505564089
Energy: 1.9717702834500923
Energy: 2.0890561130429917
Energy: 1.9669426001134478
Energy: 2.0890561130429917
Energy: 1.9855707523267518
Energy: 2.169030798905184
Energy: 1.9662317375014733
Energy: 2.169030798904478
Energy: 2.1098537786816856
Energy: 2.255028615533651
Energy: 2.1124151690629325
Energy: 2.255028615533651
Energy: 1.974568724158147
Energy: 2.2227825553823526
Energy: 2.413623232769368
Energy: 2.2227825553816465

minimum gb energy = 1.9659822746122866 eV
minimum distance =  2.3092872621944 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.02754045115274
Energy: 2.020943233254186
Energy: 2.379686991586117
Energy: 2.020943233254186
Energy: 2.0270654967395814
Energy: 2.1596236151366837
Energy: 1.9763738584868566
Energy: 2.1596236151366837
Energy: 1.9813849593728934
Energy: 2.3392765150231534
Energy: 1.983424901704666
Energy: 2.3392765150220334
Energy: 1.9592643692412988
Energy: 2.1586059938151836
Energy: 1.976567461376127
Energy: 2.1586059938151836
Energy: 1.9574596607977017
Energy: 2.154517281937845
Energy: 1.9837761868152137
Energy: 2.1545172819367258
Energy: 1.9784295469045887
Energy: 1.9777924387464039
Energy: 2.299399791884168
Energy: 1.9777924387486427
Energy: 2.4252061005235945
Energy: 2.338836232869751
Energy: 1.9775624360284163
Energy: 2.338836232869751
Energy: 1.9591547373709706
Energy: 2.0210570852428376
Energy: 2.3483271637094925
Energy: 2.021057085241718
Energy: 2.319329700116163
Energy: 2.020015247736366
Energy: 1.978256631490216
Energy: 2.020015247736366
Energy: 1.9787737946590251
Energy: 2.118786052551112
Energy: 1.978890054362826
Energy: 2.118786052551112
Energy: 1.955109129721003
Energy: 2.0184230263678176
Energy: 2.3192673072792767
Energy: 2.018423026368912
Energy: 2.2037488664147955
Energy: 2.157388193251521
Energy: 1.9590529825799436
Energy: 2.157388193250401
Energy: 1.9777340870762445
Energy: 2.1390887959464866
Energy: 2.283383243262455
Energy: 2.1390887959464866
Energy: 2.3798166848979365
Energy: 2.121441447744657
Energy: 1.9823164373930946
Energy: 2.121441447744657
Energy: 1.9870260686610726
Energy: 2.060590624075556
Energy: 2.200468120449106
Energy: 2.060590624075556
Energy: 2.3192407069066503
Energy: 2.021542352593308
Energy: 1.9594329563081956
Energy: 2.021542352594427
Energy: 1.9775052309698082
Energy: 1.9783015339639318
Energy: 1.9816385436744641
Energy: 1.9783015339639318
Energy: 1.9761694040271067
Energy: 1.9780070264549279
Energy: 1.9797346127793747
Energy: 1.9780070264560472
Energy: 1.9548177028309344
Energy: 2.020813199655212
Energy: 1.9567493095950539
Energy: 2.020813199655212
Energy: 1.976282256075665
Energy: 2.0616140039617328
Energy: 2.425062995983186
Energy: 2.0616140039594937
Energy: 2.3386953014746057
Energy: 1.9860432975787692
Energy: 1.9808278104242565
Energy: 1.9860432975787692
Energy: 1.9761975271256658
Energy: 2.1393993839361025
Energy: 2.2841054899747446
Energy: 2.139399383934983

minimum gb energy = 1.9548177028309344 eV
minimum distance =  2.27605905627526 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.0617383983717312
Energy: 2.0574618022199798
Energy: 2.35782781445948
Energy: 2.057461802223938
Energy: 2.380337541443725
Energy: 2.1254757391064145
Energy: 2.0150818413438043
Energy: 2.125475739109581
Energy: 1.9918314307778093
Energy: 2.0563305743381366
Energy: 2.021312023186914
Energy: 2.0563305743318043
Energy: 1.9960882041365513
Energy: 2.1545634740741257
Energy: 2.0151464642503822
Energy: 2.1545634740741257
Energy: 1.9924861386499615
Energy: 2.1320613287506056
Energy: 2.0095200572250427
Energy: 2.1320613287482306
Energy: 1.9921434898359967
Energy: 2.0548993678783463
Energy: 2.2672719160327883
Energy: 2.0548993678799294
Energy: 2.2081010913247123
Energy: 2.2209203130387287
Energy: 2.00917628148532
Energy: 2.2209203130387287
Energy: 1.9917270844448358
Energy: 2.0573795087529954
Energy: 2.303006429384604
Energy: 2.0573795087545785
Energy: 2.2414207026733965
Energy: 2.1287948048664416
Energy: 2.0143805460158073
Energy: 2.12879480486565
Energy: 1.9923519735445279
Energy: 2.1545680670588907
Energy: 2.1711896848175476
Energy: 2.154568067054141
Energy: 1.991641482127787
Energy: 2.2902955108572445
Energy: 2.004332567798658
Energy: 2.2902955108596195
Energy: 2.0262265744352845
Energy: 2.1335787757671265
Energy: 2.000200934289249
Energy: 2.1335787757615856
Energy: 2.017725618566394
Energy: 2.027000013313993
Energy: 2.004622302302926
Energy: 2.0270000133116186
Energy: 2.013782347275875
Energy: 2.0413506535233896
Energy: 1.9994998983138201
Energy: 2.0413506535249724
Energy: 1.991561684466445
Energy: 2.292125460435709
Energy: 2.2036135695964933
Energy: 2.2921254604365005
Energy: 2.4780318210561294
Energy: 2.040869193003802
Energy: 2.0136043446601546
Energy: 2.040869193003802
Energy: 1.9913552501958132
Energy: 2.1336972473040325
Energy: 2.0595861129613535
Energy: 2.133697247300075
Energy: 2.0060309405833134
Energy: 2.021584922259096
Energy: 2.00008855194677
Energy: 2.0215849222543465
Energy: 1.991995521873202
Energy: 2.291356571621613
Energy: 2.0045877545653146
Energy: 2.291356571616864
Energy: 1.9924686288617046
Energy: 2.131487083459384
Energy: 2.000447618182028
Energy: 2.1314870834633424
Energy: 2.00306602627941
Energy: 2.2892261722842857
Energy: 2.0148148189066752
Energy: 2.2892261722850775
Energy: 1.9925007614893306
Energy: 2.056752815800527
Energy: 2.175782401007532
Energy: 2.0567528158013184
Energy: 2.328360225234392
Energy: 2.128957442688372
Energy: 2.0084739328835637
Energy: 2.128957442691538
Energy: 2.0619159024335616
Energy: 2.0569163189033275
Energy: 2.2675203387564467
Energy: 2.056916318897786
Energy: 2.033022799989054
Energy: 2.1327965696225695
Energy: 2.0067545435201857
Energy: 2.1327965696241526
Energy: 1.996721778703651
Energy: 2.2844014259974026
Energy: 1.9961440381190738
Energy: 2.2844014259823626
Energy: 1.9923554752510455
Energy: 2.1564096155356975
Energy: 2.0087756783535036
Energy: 2.1564096155436134
Energy: 1.9962459199072444
Energy: 2.132922908803381
Energy: 2.0153890702492316
Energy: 2.1329229088025894
Energy: 1.991198006312272
Energy: 2.0572817441804734
Energy: 2.112986987592951
Energy: 2.0572817441820566
Energy: 2.0561006596320457
Energy: 2.04257139613723
Energy: 2.0148667879110356
Energy: 2.042571396141188
Energy: 1.991192246651171
Energy: 2.057105551803381
Energy: 2.3155419636683425
Energy: 2.0571055518002153

minimum gb energy = 1.991192246651171 eV
minimum distance =  2.26622553515386 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.993864346081422
Energy: 1.9422833884820085
Energy: 1.9294468337438009
Energy: 1.9422833884833566
Energy: 1.9323359892231187
Energy: 1.980985460794828
Energy: 1.9807693976432001
Energy: 1.9809854607932043
Energy: 1.9303565173620008
Energy: 2.111154169984769
Energy: 1.92776649443417
Energy: 2.1111541699861167
Energy: 1.984572166956119
Energy: 2.2092367251177505
Energy: 1.980709951519951
Energy: 2.2092367251148093
Energy: 1.9942507830172476
Energy: 2.054954307532642
Energy: 1.9274500080619783
Energy: 2.0549543075334693
Energy: 1.9294933641492218
Energy: 2.114119198889379
Energy: 1.9291219498228267
Energy: 2.1141191988882757
Energy: 1.9300738672435305
Energy: 2.054987793946179
Energy: 1.9942220268367916
Energy: 2.0549877939456587
Energy: 1.9808441174598561
Energy: 2.058918877937404
Energy: 1.9847763324680212
Energy: 2.0589188779379244
Energy: 1.92761300907083
Energy: 2.111003087717562
Energy: 1.9428573764330148
Energy: 2.1110030877156936

minimum gb energy = 1.9274500080619783 eV
minimum distance =  2.30183418227678 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.8676872320651823
Energy: 1.898200158288878
Energy: 2.1399900163730954
Energy: 1.89820015828813
Energy: 2.15709959545263
Energy: 1.9828023887176254
Energy: 1.7980423004832513
Energy: 1.9828023887176254
Energy: 1.7967362650913319
Energy: 1.8751258405584657
Energy: 2.1746934955790564
Energy: 1.8751258405599611
Energy: 1.787086195107102
Energy: 1.9643791237694084
Energy: 1.826955808676224
Energy: 1.964379123770156
Energy: 1.828122835611523
Energy: 1.9757657405048055
Energy: 2.16048652503549
Energy: 1.9757657405048055
Energy: 1.8670646424055068
Energy: 1.9025666395743783
Energy: 1.7978685534304133
Energy: 1.9025666395743783
Energy: 1.7974165220701888
Energy: 1.976008092213987
Energy: 1.7986805855932098
Energy: 1.9760080922132395
Energy: 1.7981539938205189
Energy: 1.9048777771659742
Energy: 1.7984716485215664
Energy: 1.9048777771667216
Energy: 1.8291117158674792
Energy: 1.976146083950046
Energy: 1.797381602197575
Energy: 1.976146083950046
Energy: 1.827797699342282
Energy: 1.977931555209289
Energy: 1.7849084314891517
Energy: 1.977931555209289
Energy: 1.8428719871443726
Energy: 1.9652457202271572
Energy: 1.797585629074168
Energy: 1.9652457202271572
Energy: 1.797360518508421
Energy: 1.9977748126649761
Energy: 1.907460839578088
Energy: 1.9977748126657238
Energy: 1.8669206000448366
Energy: 1.8998518746300443
Energy: 1.8858758943106053
Energy: 1.8998518746285489
Energy: 1.8279233641480397
Energy: 1.8984831113622895
Energy: 1.867376745580943
Energy: 1.898483111363785
Energy: 2.1942003974905955
Energy: 1.9634588662729737
Energy: 1.7973279504985813
Energy: 1.9634588662737213
Energy: 1.8250030646121023
Energy: 1.874768756942779
Energy: 1.8257914956265098
Energy: 1.874768756942779
Energy: 2.1603664124948643
Energy: 1.8600786975088495
Energy: 1.8120363839662852
Energy: 1.8600786975088495
Energy: 1.827662276329795
Energy: 1.8992924210075164
Energy: 1.941177264836939
Energy: 1.8992924210082642
Energy: 1.8128015982329213
Energy: 1.980019417292957
Energy: 1.7974384147300573
Energy: 1.9800194172922092
Energy: 1.7974875306647107
Energy: 1.9974661584237328
Energy: 1.8601505151483504
Energy: 1.997466158422237
Energy: 1.785428507971885
Energy: 1.9617328589047
Energy: 1.8276182792982085
Energy: 1.9617328589032046
Energy: 1.82868977483756
Energy: 1.9754752815804417
Energy: 1.8291150328283756
Energy: 1.9754752815796939
Energy: 1.7987013479300233
Energy: 1.9019945431709913
Energy: 1.785266590903993
Energy: 1.9019945431717387
Energy: 1.9299862547310247
Energy: 1.9045188437221998
Energy: 1.7976633896326175
Energy: 1.904518843721452
Energy: 1.9141242818087534
Energy: 1.8818669796603207
Energy: 1.800092132105738
Energy: 1.8818669796595728
Energy: 1.8740988434695496
Energy: 1.8987750653202586
Energy: 1.8279226025140907
Energy: 1.8987750653202586
Energy: 1.8121624272462602
Energy: 1.9461274255974026
Energy: 1.8512986379633596
Energy: 1.9461274255966545
Energy: 1.8686193789428809
Energy: 1.9675010562315112
Energy: 1.825040919189464
Energy: 1.9675010562315112
Energy: 1.7978137934713363
Energy: 1.9753492022421981
Energy: 2.17444026988991
Energy: 1.9753492022384596
Energy: 2.0769748821722103
Energy: 1.8989834265412553
Energy: 1.8274810601726756
Energy: 1.8989834265412553
Energy: 1.8121922089960734
Energy: 1.8474611541457966
Energy: 2.077013842175527
Energy: 1.847461154146544
Energy: 2.1573241129801675
Energy: 1.9008386620130757
Energy: 1.7973833525980287
Energy: 1.9008386620123283
Energy: 1.826491824556295
Energy: 1.9664250022939103
Energy: 1.7859767444003487
Energy: 1.9664250022954057

minimum gb energy = 1.7849084314891517 eV
minimum distance =  2.28255714168859 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.8195487554365022
Energy: 1.814657047681911
Energy: 1.7255215422803172
Energy: 1.8146570476849657
Energy: 1.804189474274522
Energy: 1.833551804818622
Energy: 1.730123578730813
Energy: 1.8335518048165547
Energy: 1.6836344101856455
Energy: 1.814218360359036
Energy: 2.469805616133828
Energy: 1.8142183603569684
Energy: 1.7556973212814326
Energy: 1.9048664951283498
Energy: 1.7282338061774696
Energy: 1.904866495125248
Energy: 1.6845820233493365
Energy: 1.9760361334548175
Energy: 2.193716788037169
Energy: 1.976036133453784
Energy: 1.6858337497507017
Energy: 1.8227598493525201
Energy: 1.7340226843275166
Energy: 1.822759849354588
Energy: 1.6845305218657374
Energy: 1.9764293569879277
Energy: 1.7524954211052846
Energy: 1.9764293569879277
Energy: 1.6849133448963567
Energy: 1.8246995270588844
Energy: 1.751397607100749
Energy: 1.8246995270588844
Energy: 1.8147253936816157
Energy: 1.8113043526397115
Energy: 1.7711833820885032
Energy: 1.8113043526407453
Energy: 1.8146883750780765
Energy: 1.8113697338121768
Energy: 1.7518258330244632
Energy: 1.8113697338132104
Energy: 1.6849317960969592
Energy: 1.8246265454368527
Energy: 1.7823671858254622
Energy: 1.8246265454368527
Energy: 1.6845341257874153
Energy: 1.9761752557355696
Energy: 1.7524968778564387
Energy: 1.9761752557335022
Energy: 1.6853365000331337
Energy: 1.8230537302785812
Energy: 1.7335442017098066
Energy: 1.8230537302785812
Energy: 1.6843217787126321
Energy: 1.9760511863334804
Energy: 1.8138487128863647
Energy: 1.9760511863314125
Energy: 1.7557208445359966
Energy: 1.904877280035772
Energy: 1.7326153879889945
Energy: 1.904877280034738
Energy: 1.6836332568561845
Energy: 1.8143808487053101
Energy: 1.8012728906319266
Energy: 1.814380848704276
Energy: 1.8040396098700862
Energy: 1.8335611201883375
Energy: 1.7307172577929821
Energy: 1.833561120191439
Energy: 1.8195487554354683
Energy: 1.814657047681911
Energy: 2.10569194743048
Energy: 1.8146570476839317
Energy: 1.804189474274522
Energy: 1.833551804818622
Energy: 1.7301235787318465
Energy: 1.8335518048165547
Energy: 1.6836344101856455
Energy: 1.8142183603600701
Energy: 2.469805616134862
Energy: 1.8142183603569684
Energy: 1.7556973212752294
Energy: 1.9048664951283498
Energy: 1.7282338061785032
Energy: 1.904866495125248
Energy: 1.6845820233503703
Energy: 1.9760361334548175
Energy: 2.1937167880361343
Energy: 1.976036133453784
Energy: 1.6858337497507017
Energy: 1.822759849351486
Energy: 1.7340226843264825
Energy: 1.822759849354588
Energy: 1.6845305218667714
Energy: 1.9764293569879277
Energy: 1.7524954210980475
Energy: 1.9764293569879277

minimum gb energy = 1.6836332568561845 eV
minimum distance =  2.29046747983194 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.7716111619995016
Energy: 1.7670352661343547
Energy: 2.086357102050538
Energy: 1.7670352661349935
Energy: 2.0242849736502815
Energy: 1.7411104273569373
Energy: 1.685722916234583
Energy: 1.7411104273562983
Energy: 1.687168045951581
Energy: 1.7408607433087466
Energy: 2.2301768817682346
Energy: 1.7408607433061905
Energy: 1.7343125635931067
Energy: 1.6825721740299657
Energy: 1.6850186474373332
Energy: 1.6825721740312438
Energy: 1.6659094705067228
Energy: 1.8728969900900534
Energy: 2.0040681315472275
Energy: 1.8728969900900534
Energy: 1.6541429421866016
Energy: 2.0606474775119534
Energy: 1.7152242490288714
Energy: 2.0606474775132315
Energy: 1.687641896159332
Energy: 1.8410299874778326
Energy: 1.7481960663159715
Energy: 1.8410299874778326
Energy: 1.664050283699594
Energy: 2.079825453799084
Energy: 1.6653853516006902
Energy: 2.079825453801001
Energy: 1.7615146526298107
Energy: 1.7312743060654547
Energy: 1.7195010709998886
Energy: 1.7312743060712061
Energy: 1.7673328503228898
Energy: 1.81281741836771
Energy: 1.6869514065684459
Energy: 1.8128174183670707
Energy: 1.6882526214382183
Energy: 2.0388634310089073
Energy: 1.6654166173397118
Energy: 2.0388634310082683
Energy: 1.6880201304109201
Energy: 1.8250944250991952
Energy: 1.6666139317795177
Energy: 1.8250944250979175
Energy: 1.6537216968360584
Energy: 1.7147096193898521
Energy: 1.685026546429193
Energy: 1.7147096194262765
Energy: 1.6661486034883575
Energy: 1.8716339638116861
Energy: 1.7748272020563352
Energy: 1.871633963812964
Energy: 1.6652740347861532
Energy: 1.697661834754936
Energy: 1.7804150015988107
Energy: 1.6976618347542969
Energy: 1.687355489894976
Energy: 1.7424883642713713
Energy: 2.0071613246454407
Energy: 1.7424883642720104
Energy: 1.7066253510171674
Energy: 1.6987846715207748
Energy: 1.6846198150234821
Energy: 1.6987846715207748
Energy: 1.6829277547422827
Energy: 1.767499359252662
Energy: 1.6927027737287104
Energy: 1.767499359252662
Energy: 2.0083227828986283
Energy: 1.8314570122693978
Energy: 1.6867222979806125
Energy: 1.8314570122693978
Energy: 1.7130772060841424
Energy: 1.7418186198605718
Energy: 1.730542471474828
Energy: 1.74181861986185
Energy: 2.0065919441584392
Energy: 1.7246045340069978
Energy: 1.6845476782146087
Energy: 1.724604534007637
Energy: 1.6836433608483594
Energy: 1.8221385317534304
Energy: 1.6885860989042578
Energy: 1.8221385317508743
Energy: 1.7054464315876097
Energy: 1.7090256190634803
Energy: 1.7139942354843134
Energy: 1.7090256190653974
Energy: 1.6876427425882068
Energy: 1.842719123100318
Energy: 2.0241033527862915
Energy: 1.842719123100957
Energy: 1.7178925996521957
Energy: 1.768259778254917
Energy: 1.6838501249518
Energy: 1.768259778254917
Energy: 1.6840800443499293
Energy: 1.8747088899927713
Energy: 1.7071389127766954
Energy: 1.8747088899927713
Energy: 1.9830140457628427
Energy: 1.7977931701569319
Energy: 1.6869365093868458
Energy: 1.7977931701556538
Energy: 1.7850486632604945
Energy: 1.6985550508875225
Energy: 1.6654716525345439
Energy: 1.6985550508945515
Energy: 1.8009247303523117
Energy: 1.8714206728922465
Energy: 1.666247126461282
Energy: 1.8714206728922465
Energy: 1.6843077668820476
Energy: 1.8033070606586064
Energy: 1.7256978204200628
Energy: 1.8033070606605233
Energy: 1.6662745374219414
Energy: 1.871334559870854
Energy: 1.6879678820669746
Energy: 1.871334559872771
Energy: 1.6645392918251998
Energy: 2.03791455496703
Energy: 1.6873546740687042
Energy: 2.03791455496703
Energy: 1.6872317904439729
Energy: 1.8138112698079116
Energy: 2.038064742957579
Energy: 1.8138112698072726
Energy: 1.7271121495900534
Energy: 1.7307360508387664
Energy: 1.7175609668143703
Energy: 1.7307360508406835
Energy: 1.6655113329420592
Energy: 1.7693382198231782
Energy: 1.719898739928905
Energy: 1.769338219823817
Energy: 1.747201919858468
Energy: 1.8429961319093033
Energy: 1.6871857188303983
Energy: 1.842996131908664
Energy: 1.7138459220110847
Energy: 2.060177191598313
Energy: 1.6552060280292877
Energy: 2.060177191598313
Energy: 2.0076302920838645
Energy: 1.8746346728487708
Energy: 1.6838596198735218
Energy: 1.8746346728513268

minimum gb energy = 1.6537216968360584 eV
minimum distance =  2.28395875951701 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.5696398450490947
Energy: 1.5665951086161714
Energy: 1.5412690692074948
Energy: 1.5665951086178433
Energy: 1.5665631193743388
Energy: 1.628973002097611
Energy: 1.5663849312807945
Energy: 1.628973002097611
Energy: 1.5783828173788756
Energy: 1.8549766782764094
Energy: 2.389883266753272
Energy: 1.8549766782764094
Energy: 1.5426119488811165
Energy: 1.628682205647596
Energy: 1.5663539968455986
Energy: 1.628682205647596
Energy: 1.5689920161596835
Energy: 1.7174898313595863
Energy: 1.5704020722997802
Energy: 1.7174898313595863
Energy: 1.5667894066106371
Energy: 1.5690987854634537
Energy: 1.5651258906259875
Energy: 1.5690987854634537
Energy: 1.5787627460791938
Energy: 1.8542206119131774
Energy: 1.570833309250963
Energy: 1.8542206119131774
Energy: 1.5316568593783826
Energy: 1.8554908775873422
Energy: 1.5665993286483997
Energy: 1.855490877589014
Energy: 1.5691871240746744
Energy: 1.7174688007049623
Energy: 1.5409154727039098
Energy: 1.7174688007049623
Energy: 1.6292356656697244
Energy: 1.7111420281840115
Energy: 1.566059846652527
Energy: 1.7111420281823395
Energy: 1.5662554504281443
Energy: 1.630665345263924
Energy: 1.5697792150921517
Energy: 1.630665345263924
Energy: 1.566151893524866
Energy: 1.8530848925472305
Energy: 1.566734408494318
Energy: 1.8530848925438863
Energy: 1.569479980035066
Energy: 1.5742354800719098
Energy: 1.5404008411258365
Energy: 1.5742354800719098
Energy: 1.5660569490406653
Energy: 1.7141100609874234
Energy: 1.5659419245750519
Energy: 1.7141100609874234
Energy: 1.5284761352726564
Energy: 1.5741855517832024
Energy: 1.5694792429935442
Energy: 1.5741855517832024

minimum gb energy = 1.5284761352726564 eV
minimum distance =  2.30529526060726 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.5133053303436887
Energy: 1.4493693691579355
Energy: 1.4138632605018326
Energy: 1.4493693691572347
Energy: 1.8121952339070284
Energy: 1.489853539157553
Energy: 1.4186446662594134
Energy: 1.4898535391561514
Energy: 1.4515597919265733
Energy: 1.449736039669386
Energy: 2.166152795477764
Energy: 1.449736039665181
Energy: 1.4480979694478944
Energy: 1.4900745620933389
Energy: 1.4181239927201172
Energy: 1.4900745620940397
Energy: 1.451914760142957
Energy: 1.5613191332718295
Energy: 1.4518359626317991
Energy: 1.5613191332669236
Energy: 1.4207393920636817
Energy: 1.490678124268154
Energy: 1.4722798085966258
Energy: 1.4906781242695557
Energy: 1.451996763731741
Energy: 1.5632135177628939
Energy: 1.480375694401822
Energy: 1.56321351775939
Energy: 1.4026298123494019
Energy: 1.4899795598605152
Energy: 1.472388763082011
Energy: 1.4899795598619168
Energy: 1.4521923264393404
Energy: 1.5632878480597436
Energy: 1.776730931556558
Energy: 1.563287848057641
Energy: 1.8226427333471507
Energy: 1.598908973422815
Energy: 1.4182637716012887
Energy: 1.5989089734179094
Energy: 1.4520954986454846
Energy: 1.595127575759015
Energy: 1.4217294878680633
Energy: 1.5951275757569128
Energy: 1.4839546215942785
Energy: 1.5988427577262998
Energy: 1.4191706866886808
Energy: 1.5988427577248983
Energy: 1.5238624293358818
Energy: 1.4784242108189356
Energy: 1.4235500433883552
Energy: 1.4784242108147307
Energy: 2.1078283469556154
Energy: 1.5981727760283877
Energy: 1.4194335882971765
Energy: 1.5981727760325926
Energy: 1.4523731173204242
Energy: 1.4491050376695842
Energy: 1.423320060460428
Energy: 1.449105037670986
Energy: 1.4404593607535692
Energy: 1.5983246566965712
Energy: 1.4198758433835392
Energy: 1.5983246566958704
Energy: 1.439015621486273
Energy: 1.4483831848613566
Energy: 1.420860994473328
Energy: 1.4483831848515456
Energy: 1.4403181607528819
Energy: 1.562751410113445
Energy: 1.4930028738015344
Energy: 1.562751410113445
Energy: 1.4397504255460605
Energy: 1.4797492072847327
Energy: 1.493073740711921
Energy: 1.4797492072854335
Energy: 1.4397401738716489
Energy: 1.4814835903054389
Energy: 1.4924505407745186
Energy: 1.4814835903047379
Energy: 1.4403310090449497
Energy: 1.5628233584383244
Energy: 1.4929005972922402
Energy: 1.5628233584369227
Energy: 1.4391727229259876
Energy: 1.4485184262805588
Energy: 1.42086994918461
Energy: 1.4485184262784567
Energy: 1.4404597791839158
Energy: 1.598126530950739
Energy: 1.4198899362344417
Energy: 1.5981265309465342
Energy: 1.452367645011095
Energy: 1.4491204495840988
Energy: 1.4208718874212403
Energy: 1.4491204495819963
Energy: 2.1079088422495476
Energy: 1.5979696310050195
Energy: 1.4195013940693617
Energy: 1.5979696310015155
Energy: 1.5238533131391185
Energy: 1.4785355762352013
Energy: 1.4211483506516716
Energy: 1.4785355762352013
Energy: 1.4828617620488584
Energy: 1.5988147456978725
Energy: 1.4191220447460062
Energy: 1.5988147456992743
Energy: 1.4521661437917603
Energy: 1.595315813083097
Energy: 1.4215363317273249
Energy: 1.595315813083097
Energy: 1.8223125935207285
Energy: 1.5990800156628446
Energy: 1.418300122392687
Energy: 1.599080015660742
Energy: 1.4522945472785402
Energy: 1.563296533420441
Energy: 1.7775962950366042
Energy: 1.5632965334113942
Energy: 1.4026401872170438
Energy: 1.4899598834203636
Energy: 1.4723748304473734
Energy: 1.4899598834203636
Energy: 1.4523201470836813
Energy: 1.5629739930326034
Energy: 2.1071563701337497
Energy: 1.5629739930333042
Energy: 1.4205051212199686
Energy: 1.4908957958441325
Energy: 1.472070542239051
Energy: 1.4908957958448332
Energy: 1.452208064851123
Energy: 1.56153266539202
Energy: 1.4841259864581815
Energy: 1.5615326653983272
Energy: 1.448258004328464
Energy: 1.4898525055052445
Energy: 1.418112122246977
Energy: 1.4898525055059453

minimum gb energy = 1.4026298123494019 eV
minimum distance =  2.31989181008275 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.3903608833255994
Energy: 1.3869568171512854
Energy: 1.9770225559116128
Energy: 1.3869568171512854
Energy: 1.3519026527039963
Energy: 1.3865944325569644
Energy: 1.2971973675872517
Energy: 1.3865944325557584
Energy: 1.3382010677562075
Energy: 1.5589944818753763
Energy: 1.277466977275613
Energy: 1.5589944818741706
Energy: 1.295119513124172
Energy: 1.3868200886625932
Energy: 1.2970638913051764
Energy: 1.3868200886613873
Energy: 1.3009459671883548
Energy: 1.3861720713487231
Energy: 1.3018807644407426
Energy: 1.3861720713487231
Energy: 1.2738281806342853
Energy: 1.3865018744860753
Energy: 1.29881209531624
Energy: 1.3865018744848696
Energy: 1.338374342525201
Energy: 1.4548008338274792
Energy: 1.351348001787485
Energy: 1.4548008338250678
Energy: 1.2948899627915853
Energy: 1.388051586670481
Energy: 1.3856454570285734
Energy: 1.388051586670481
Energy: 1.301285661211094
Energy: 1.3860968667392892
Energy: 1.3515898661096675
Energy: 1.3860968667417006
Energy: 1.9836904987621193
Energy: 1.5450548376437727
Energy: 1.2990174430305994
Energy: 1.5450548376473896
Energy: 1.3386640586194485
Energy: 1.4545369305423683
Energy: 1.2948773751730593
Energy: 1.4545369305411628
Energy: 2.017669256766556
Energy: 1.3873861496192603
Energy: 1.2974896486715184
Energy: 1.3873861496192603
Energy: 1.294256788208253
Energy: 1.3860343152397196
Energy: 1.2732676859495409
Energy: 1.3860343152397196
Energy: 1.8763706515322007
Energy: 1.4542457741247183
Energy: 1.2979701374610826
Energy: 1.4542457741247183
Energy: 1.3860257108703815
Energy: 1.4555314366645724
Energy: 1.2947695206578342
Energy: 1.4555314366633667
Energy: 1.3860403117065516
Energy: 1.3869715629898207
Energy: 1.3044418746300324
Energy: 1.3869715629910264
Energy: 1.2943908121229708
Energy: 1.5439068083615466
Energy: 1.2694024777581914
Energy: 1.5439068083615466
Energy: 1.2980182059503158
Energy: 1.456013982603801
Energy: 1.298019402083497
Energy: 1.456013982603801
Energy: 1.2966950620222106
Energy: 1.3905335094096911
Energy: 1.294266873528479
Energy: 1.3905335094096911
Energy: 1.3018746605113574
Energy: 1.3872692650676477
Energy: 1.3005823925373312
Energy: 1.387269265070059

minimum gb energy = 1.2694024777581914 eV
minimum distance =  2.3248570507459 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.2408510280004597
Energy: 1.1638201231709744
Energy: 1.102675289344172
Energy: 1.1638201231700327
Energy: 1.6322533033179558
Energy: 1.1979301527477615
Energy: 1.1685503312958294
Energy: 1.1979301527487032
Energy: 1.1617548695936553
Energy: 1.1605290434546147
Energy: 1.1036809991757666
Energy: 1.1605290434555562
Energy: 1.1558497177024984
Energy: 1.1973643724029515
Energy: 1.1686922617123985
Energy: 1.1973643724038932
Energy: 1.1674683754699529
Energy: 1.198377199827101
Energy: 1.1145828475402306
Energy: 1.198377199827101
Energy: 1.114030175923691
Energy: 1.198354502294083
Energy: 1.1686313043784884
Energy: 1.1983545022959659
Energy: 1.1619869273805796
Energy: 1.1600198371570274
Energy: 1.1443616666197527
Energy: 1.1600198371570274
Energy: 1.1013209107144903
Energy: 1.2385486590266972
Energy: 1.1633842031215151
Energy: 1.2385486590266972
Energy: 1.1674885784850393
Energy: 1.1986665070521658
Energy: 1.631553959710507
Energy: 1.1986665070531075
Energy: 1.1136792236126658
Energy: 1.161100784745345
Energy: 1.242518450153448
Energy: 1.1611007847481694
Energy: 1.1621939346228705
Energy: 1.1602354530727264
Energy: 2.071289905533996
Energy: 1.1602354530727264
Energy: 1.6812905891916947
Energy: 1.2416053991550935
Energy: 1.163611991097083
Energy: 1.241605399144737
Energy: 1.167312557532115
Energy: 1.1981574819857472
Energy: 1.587765068644482
Energy: 1.1981574819866887
Energy: 1.70649927280973
Energy: 1.160180377742285
Energy: 1.1689240423457987
Energy: 1.160180377742285
Energy: 1.171730627462273
Energy: 1.1600509758880306
Energy: 1.1113466129634868
Energy: 1.1600509758880306
Energy: 1.6970001881067187
Energy: 1.364572129582044
Energy: 1.162839353392843
Energy: 1.36457212958581
Energy: 1.167808477019101
Energy: 1.2380596352681703
Energy: 1.1007152955003414
Energy: 1.238059635269112
Energy: 1.645330749540182
Energy: 1.1975923419983128
Energy: 1.1690730594442391
Energy: 1.1975923419992542
Energy: 1.2470239482475414
Energy: 1.160491373811147
Energy: 1.1157623120805835
Energy: 1.1604913738120881
Energy: 2.069470950458551
Energy: 1.3700564588534732
Energy: 1.1627927373188187
Energy: 1.3700564588553563
Energy: 1.1678201915054636
Energy: 1.2379158080168673
Energy: 1.094709410680765
Energy: 1.2379158080225163
Energy: 1.1606020731043305
Energy: 1.1980346479013513
Energy: 1.1688923580861406
Energy: 1.1980346479004098
Energy: 1.1621485100907085
Energy: 1.1599725728553092
Energy: 1.7173085563702153
Energy: 1.1599725728534263
Energy: 1.1199489095996764
Energy: 1.3697384793974896
Energy: 1.1629385236826342
Energy: 1.3697384793993728
Energy: 1.1670487717884175
Energy: 1.3646650387809414
Energy: 1.6952214151776688
Energy: 1.3646650387828245
Energy: 1.112820506989717
Energy: 1.238568814165319
Energy: 1.1603203079823377
Energy: 1.2385688141662605

minimum gb energy = 1.094709410680765 eV
minimum distance =  2.32873029717309 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.9207624918112685
Energy: 1.0590129730539157
Energy: 0.9851756540511023
Energy: 1.0590129730546876
Energy: 1.813989580887596
Energy: 1.0330632376196516
Energy: 1.0163051527629459
Energy: 1.0330632376219673
Energy: 1.058653066042393
Energy: 1.0125557510163021
Energy: 0.9784812315799188
Energy: 1.012555751017846
Energy: 1.4076131037985742
Energy: 1.034804416762159
Energy: 1.0160842080426684
Energy: 1.034804416762159
Energy: 1.0115665683771378
Energy: 1.088023530974657
Energy: 0.9915948316639562
Energy: 1.088023530976973
Energy: 1.0018241047160226
Energy: 1.0350494857933221
Energy: 1.0161915319903483
Energy: 1.0350494857987251
Energy: 1.0152038831558479
Energy: 1.0335130376349642
Energy: 1.002519313955079
Energy: 1.0335130376395951
Energy: 0.9891630484474785
Energy: 1.0588031758348262
Energy: 1.0125950873247573
Energy: 1.0588031758325103
Energy: 1.018456573596603
Energy: 1.0591843856030154
Energy: 1.4115120171760245
Energy: 1.0591843856052958
Energy: 0.9827933449627801
Energy: 1.0131041551636315
Energy: 1.059141525420501
Energy: 1.0131041551636315
Energy: 1.0153240445987386
Energy: 1.0336977730847543
Energy: 2.1512811205838203
Energy: 1.0336977730847543
Energy: 0.9889083228366095
Energy: 1.0594402225784332
Energy: 1.8275884001875478
Energy: 1.0594402225792052
Energy: 1.0185821586513386
Energy: 1.0593927903603766
Energy: 2.1509687237342727
Energy: 1.0593927903603766
Energy: 1.4702678598291077
Energy: 1.1684531193835315
Energy: 1.0595510662670358
Energy: 1.1684531193819876
Energy: 1.015606858870719
Energy: 1.033720627195294
Energy: 1.7916977856163088
Energy: 1.0337206271945218
Energy: 1.4848981040623073
Energy: 1.0602430027043892
Energy: 1.0124871567726292
Energy: 1.060243002705161
Energy: 1.0185426418124257
Energy: 1.0579526264691936
Energy: 1.3897158443878332
Energy: 1.0579526264630186
Energy: 1.486823047935429
Energy: 1.1691977642243656
Energy: 1.016236778241183
Energy: 1.1691977642205063
Energy: 1.015422390745536
Energy: 1.058438447872616
Energy: 0.9866243673064378
Energy: 1.058438447871072
Energy: 1.5077279979764586
Energy: 1.0591446896724868
Energy: 1.012906539195774
Energy: 1.0591446896732584
Energy: 1.0622549664548844
Energy: 1.0573076075756789
Energy: 0.9799512513726975
Energy: 1.0573076075540664
Energy: 2.1505614663795183
Energy: 1.0869055853966096
Energy: 1.016419030568692
Energy: 1.086905585387347
Energy: 1.8225220151875827
Energy: 1.0573140531440088
Energy: 0.9865317715826232
Energy: 1.057314053142465
Energy: 1.8249619740066112
Energy: 1.0591796509303046
Energy: 1.01245685964801
Energy: 1.0591796509310762
Energy: 1.0624799420490174
Energy: 1.1652262998920024
Energy: 0.9807030599412112
Energy: 1.1652262998912308
Energy: 1.7916544823043485
Energy: 1.0866923836199351
Energy: 1.016391624032581
Energy: 1.0866923836176194
Energy: 1.0152706048628004
Energy: 1.0569489796726235
Energy: 1.4834220774035998
Energy: 1.0569489796710798
Energy: 1.015070103802805
Energy: 1.05742410879114
Energy: 1.0127693823095576
Energy: 1.057424108790368
Energy: 1.0189669633770253
Energy: 1.1655891103603915
Energy: 1.4848460598549615
Energy: 1.165589110358076
Energy: 0.9908028513873972
Energy: 1.1223984141854764
Energy: 1.0192422451481664
Energy: 1.1223984141893355
Energy: 1.0148047647922136
Energy: 1.0576404787893345
Energy: 1.5063629199653863
Energy: 1.0576404787870188
Energy: 0.9879948843475971
Energy: 1.0571930750041965
Energy: 1.0663616145329713
Energy: 1.0571930750049683

minimum gb energy = 0.9784812315799188 eV
minimum distance =  2.3226312035707 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.7011843410094463
Energy: 0.9396815786272514
Energy: 0.8962513538224042
Energy: 0.9396815786272514
Energy: 1.9096658429965978
Energy: 0.9354870312482323
Energy: 0.9375749515738027
Energy: 0.9354870312423473
Energy: 0.9744494559092398
Energy: 0.9345506486905687
Energy: 0.8905977249224202
Energy: 0.9345506486918764
Energy: 1.6004545577196037
Energy: 0.9352957466725417
Energy: 0.9374950911146547
Energy: 0.9352957466737899
Energy: 0.9339326369306559
Energy: 0.9376639527393172
Energy: 1.3825714213167486
Energy: 0.9376639527249911
Energy: 1.2522302972911463
Energy: 0.9365971418646194
Energy: 0.9373474590054406
Energy: 0.9365971418710989
Energy: 0.9367384887447207
Energy: 0.9536061893143223
Energy: 0.9043432189498013
Energy: 0.9536061893162842
Energy: 0.9036151856861643
Energy: 0.9545625310021031
Energy: 0.937309402365262
Energy: 0.9545625310014492
Energy: 0.9391253008576307
Energy: 0.9560931979865773
Energy: 1.2532256860554138
Energy: 0.9560931979852695
Energy: 0.8965284099514628
Energy: 0.9358633827229111
Energy: 0.9348949917946068
Energy: 0.9358633826536588
Energy: 0.9369545758165878
Energy: 0.9350056065913671
Energy: 1.6012124203330493
Energy: 0.9350056065900594
Energy: 0.8944120866486555
Energy: 0.9350014601183783
Energy: 0.9754171707916437
Energy: 0.9350014601183783
Energy: 0.9392835160304834
Energy: 0.9560422948495029
Energy: 1.9089786610659927
Energy: 0.9560422948573496
Energy: 0.8964739901775265
Energy: 0.9356891472536891
Energy: 1.6350734744702125
Energy: 0.9356891472536891
Energy: 0.9370867727628722
Energy: 0.9352471833641598
Energy: 2.2073150893485263
Energy: 0.9352471833608905
Energy: 1.3140303549833143
Energy: 0.9350344174395773
Energy: 0.97520590623932
Energy: 0.9350344174369618
Energy: 0.9391655950467811
Energy: 0.954801542467724
Energy: 1.894301637389749
Energy: 0.954801542521283
Energy: 1.323152180231856
Energy: 0.9345456066068788
Energy: 0.9348166674221291
Energy: 0.9345456066081865
Energy: 0.9363968111988668
Energy: 0.9343780352910153
Energy: 1.5855545823461297
Energy: 0.9343780352916691
Energy: 1.3210058773907731
Energy: 0.9359202346681075
Energy: 0.9375390118557466
Energy: 0.9359202346753003
Energy: 0.9392193671362576
Energy: 0.9750729287424805
Energy: 1.2392359019032153
Energy: 0.9750729287411727
Energy: 1.3366894345457383
Energy: 0.9536740672473732
Energy: 0.9420726129805587
Energy: 0.9536740672180077
Energy: 0.936609876341163
Energy: 0.9349550744308603
Energy: 0.8927411960403547
Energy: 0.9349550744288987
Energy: 1.8930746109344627
Energy: 0.9365874689202068
Energy: 0.9375502598325919
Energy: 0.9365874689169374
Energy: 0.9770298789110222
Energy: 0.9746486351838185
Energy: 0.8904220110332033
Energy: 0.9746486351844723
Energy: 1.9213412960497607
Energy: 0.9539356086411952
Energy: 0.942026833803
Energy: 0.9539356086013082
Energy: 1.6334176598864503
Energy: 0.934818594489322
Energy: 0.8934452629368934
Energy: 0.934818594489322
Energy: 2.2039252850758446
Energy: 0.9352319316104561
Energy: 0.9375097058668974
Energy: 0.9352319316137255
Energy: 0.9770777591668852
Energy: 0.9736522064212965
Energy: 0.8897924934638426
Energy: 0.9736522064265277
Energy: 1.6052411491101855
Energy: 0.9539152017089375
Energy: 0.9420234685824824
Energy: 0.9539152017082837
Energy: 0.9369713015674064
Energy: 0.9336969350803398
Energy: 1.3205786600979754
Energy: 0.9336969351097646
Energy: 1.5855538727629301
Energy: 0.9347256248606762
Energy: 0.9375359901870167
Energy: 0.93472562486133
Energy: 0.9393106032527391
Energy: 0.973574013616833
Energy: 1.3248607677081508
Energy: 0.9735740136194485
Energy: 0.9094036939917081
Energy: 0.9744574082061455
Energy: 0.9419845614956951
Energy: 0.9744574082074532
Energy: 0.9254847413834123
Energy: 0.9340571970305096
Energy: 1.342379670238433
Energy: 0.9340571969860454
Energy: 0.8902857249443895
Energy: 0.9347193537269518
Energy: 0.9397946526318816
Energy: 0.9347193537256441
Energy: 0.9392068628270857
Energy: 1.0639246186394655
Energy: 1.965612823571139
Energy: 1.063924618663659

minimum gb energy = 0.8897924934638426 eV
minimum distance =  2.32425305503298 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.5736582998647877
Energy: 0.9184408380750466
Energy: 0.7852446534834047
Energy: 0.9184408380744795
Energy: 1.9918420350181623
Energy: 0.9137103964935314
Energy: 0.8619928586661787
Energy: 0.9137103964946656
Energy: 1.5237130983654856
Energy: 0.9137676465153002
Energy: 0.7850997832561023
Energy: 0.9137676465158673
Energy: 1.7205655809119245
Energy: 0.9137646587516776
Energy: 0.8616821857895268
Energy: 0.9137646587528118
Energy: 0.9131863974873808
Energy: 0.8595921693604268
Energy: 0.7888263132536435
Energy: 0.8595921693609939
Energy: 1.4477821640996105
Energy: 0.9150991139952339
Energy: 0.8618716785724034
Energy: 0.915099113995801
Energy: 0.8587448249854474
Energy: 0.9450954280360025
Energy: 0.8158778167906015
Energy: 0.9450954280365697
Energy: 1.1313559144512866
Energy: 0.9131945445211894
Energy: 0.8617687825373023
Energy: 0.9131945445200552
Energy: 0.861155572110371
Energy: 0.8864389730988291
Energy: 1.1343694277396816
Energy: 0.8864389730988291
Energy: 1.0935178855467562
Energy: 0.9438597308253047
Energy: 0.8593097749068995
Energy: 0.9438597308253047
Energy: 0.862913981105375
Energy: 0.9136353479033089
Energy: 1.4479361006759028
Energy: 0.9136353478982048
Energy: 0.7905734408051885
Energy: 0.912943408973544
Energy: 0.9136756753825896
Energy: 0.912943408973544
Energy: 0.8611270153865118
Energy: 0.8846810160203491
Energy: 1.7197267411083736
Energy: 0.8846810160209162
Energy: 0.7848550607266548
Energy: 0.914085025474302
Energy: 1.4722069697829379
Energy: 0.9140850254754364
Energy: 0.8629554458630804
Energy: 0.9137888203091992
Energy: 2.223330757223485
Energy: 0.9137888203091992
Energy: 0.7879864516486995
Energy: 0.9185116981458418
Energy: 1.5273880157502966
Energy: 0.9185116981441405
Energy: 0.8613861412889884
Energy: 0.8847054198504831
Energy: 2.223291611377997
Energy: 0.8847054198504831
Energy: 1.1546476982330696
Energy: 0.9140607483025843
Energy: 1.4722901449726764
Energy: 0.9140607483020172
Energy: 0.8629521799834738
Energy: 0.9137460035200626
Energy: 1.9502260722630087
Energy: 0.9137460035206298
Energy: 1.166259277646127
Energy: 0.9187586265706752
Energy: 0.9141385958657803
Energy: 0.9187586265633028
Energy: 0.8610895726523521
Energy: 0.8848123704408799
Energy: 1.6745943847000673
Energy: 0.8848123704408799
Energy: 1.1682566513214203
Energy: 0.9138335922816517
Energy: 0.8594990182644923
Energy: 0.9138335922799505
Energy: 0.8630527650243262
Energy: 0.9125472722626569
Energy: 1.3963366971049571
Energy: 0.9125472722620899
Energy: 1.192688241249917
Energy: 0.9431330044427932
Energy: 0.861847048354907
Energy: 0.9431330044467631
Energy: 0.8612093240355294
Energy: 0.912413661617142
Energy: 1.0945707642105114
Energy: 0.912413661617142
Energy: 1.4493068809173106
Energy: 0.9138462812508642
Energy: 0.8664470950194797
Energy: 0.9138462812508642
Energy: 0.9154276574389186
Energy: 0.9123675499272251
Energy: 0.7883265825200031
Energy: 0.9123675499277923
Energy: 1.7073649542131266
Energy: 0.9433761992622655
Energy: 0.8618512422142198
Energy: 0.9433761992616984
Energy: 1.4763871133881912
Energy: 0.9149471737015814
Energy: 0.7827538644423826
Energy: 0.9149471737004472
Energy: 2.2232670452240715
Energy: 0.9141070898502003
Energy: 0.8620377826199818
Energy: 0.9141070898496332
Energy: 1.5305454664378855
Energy: 0.9125488796782643
Energy: 0.7879260710623258
Energy: 0.9125488796975463
Energy: 1.9841342017029073
Energy: 0.9431104679847626
Energy: 0.8617265304989612
Energy: 0.9431104679853297
Energy: 1.4764811196462084
Energy: 0.9120201411709741
Energy: 0.7840836105865394
Energy: 0.9120201411715412
Energy: 1.9499914315747549
Energy: 0.9140585588009195
Energy: 0.8620010477114137
Energy: 0.9140585587980838
Energy: 0.9163835575179013
Energy: 0.912158618680042
Energy: 1.1663716288077237
Energy: 0.912158618680609
Energy: 1.428319653326168
Energy: 0.9432377074347598
Energy: 0.86174970799634
Energy: 0.9432377074387296
Energy: 0.8616115144804837
Energy: 0.9120428661487013
Energy: 1.1665739518246072
Energy: 0.9120428661469999
Energy: 1.396349634704692
Energy: 0.9120652528934065
Energy: 0.8618832486607902
Energy: 0.9120652528928394
Energy: 0.8631760049156026
Energy: 0.9122255579868058
Energy: 1.1921755707749058
Energy: 0.9122255579873729
Energy: 0.8187735033929467
Energy: 0.9744188977833063
Energy: 0.8620980042264861
Energy: 0.974418897786142
Energy: 0.8599436592290034
Energy: 0.9120110438740081
Energy: 1.751682157012867
Energy: 0.9120110438740081
Energy: 0.7920695024766667
Energy: 0.912077303158731
Energy: 0.9163983261464043
Energy: 0.9120773031598652
Energy: 0.8633991891830407
Energy: 0.9122943340719901
Energy: 1.7735738771952914
Energy: 0.912294334071423

minimum gb energy = 0.7827538644423826 eV
minimum distance =  2.33549200074455 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.016827124069049165
Energy: 0.018020863257375966
Energy: 1.0725813578154813
Energy: 0.018020863257811937
Energy: 1.0722745499914275
Energy: 0.37742489626782316
Energy: 0.3770257217624852
Energy: 0.3774248962673872
Energy: 0.016827124069049165
Energy: 0.018020863257375966
Energy: 1.0725811019759204
Energy: 0.018020863257811937
Energy: 1.0722745499909918
Energy: 0.3774248962673872
Energy: 0.377025721837908
Energy: 0.37742489626782316
Energy: 0.016827124069049165
Energy: 0.018020863257375966
Energy: 1.072582972719917
Energy: 0.018020863257811937
Energy: 1.0722745499909918
Energy: 0.3774248962682349
Energy: 0.377025721791453
Energy: 0.3774248962673872

minimum gb energy = 0.016827124069049165 eV
minimum distance =  2.56583139561844 Angstroms
sigma value = 1