Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_004
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=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.96982810620398e-19, 2.73103824678372e-19, 3.31278858258912e-19, 3.7876256716077e-19, 4.1875610029867796e-19, 4.531275956278799e-19, 4.8332862517878e-19, 5.09801389702362e-19, 5.331066510205259e-19, 5.536802011777199e-19, 5.71855292913816e-19, 5.87872252723914e-19, 6.01944170100336e-19, 6.14245682296188e-19, 6.250363419261779e-19, 6.343738273491299e-19, 6.423270321603059e-19, 6.4899208695774605e-19, 6.544491005731499e-19, 6.587717731316819e-19, 6.620978918238659e-19, 6.64413037059996e-19, 6.657684784923599e-19, 6.662106792433439e-19, 6.65734832783046e-19, 6.6419033450787e-19, 6.614249776375859e-19, 6.5720324220699595e-19, 6.512159081257379e-19, 6.4312972265394e-19, 6.325393351031999e-19, 6.1899453383936395e-19, 6.0190571786112e-19, 5.80486218441174e-19, 5.538179883682439e-19, 5.209749695478779e-19, 4.80446309414214e-19, 4.3029337424011196e-19, 3.6815615784368996e-19, 2.9096328761756996e-19, 1.9480064604489e-19, 7.435653693094979e-20, -7.779961451741579e-20, -2.71786835485224e-19, -5.21526118309974e-19, -8.47769335408224e-19, -1.28073994680375e-18, -1.86748106282406e-18, -2.6827806865676394e-18, -3.85257791235006e-18, -5.6004564894460195e-18, -8.35557545103876e-18, -1.30373919238482e-17, -2.19099256876134e-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: 0.016072595158140513
Energy: 0.016609571232652637
Energy: 1.5077632815627018
Energy: 0.016609571232058973
Energy: 0.016609571232652637
Energy: 1.696906712476376
Energy: 0.016609571233281228
Energy: 1.6969067124690074
Energy: 1.5077632815522601
Energy: 0.016609571233281228
Energy: 0.016072595158140513
Energy: 0.016609571233281228
Energy: 0.016609571232058973
Energy: 1.6969067124493464
Energy: 0.016609571232652637
Energy: 1.6969067124935922

minimum gb energy = 0.016072595158140513 eV
minimum distance =  2.47183548155792 Angstroms
sigma value = 1


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

Energy: 2.6864789589758113
Energy: 1.5086361742214631
Energy: 1.5957863466095041
Energy: 1.5086361742214631
Energy: 1.6634443066644542
Energy: 1.6573407315702893
Energy: 1.5865296660295505
Energy: 1.6573407315725763
Energy: 1.589524273428295
Energy: 1.5885865625087616
Energy: 1.594019357549925
Energy: 1.5885865625087616
Energy: 1.5837509553353906
Energy: 1.602652048957624
Energy: 1.5865217902535202
Energy: 1.60265204895305
Energy: 1.6710157127482823
Energy: 1.6019349523416788
Energy: 1.5873790884950112
Energy: 1.601934952342441
Energy: 1.5831644934703641
Energy: 1.7885984262508812
Energy: 1.5934828655390354
Energy: 1.7885984262531684
Energy: 1.5832572616050717
Energy: 1.7718024916936246
Energy: 1.671281985354658
Energy: 1.7718024916920998
Energy: 1.675476207433539
Energy: 1.853931545782467
Energy: 1.595100231598623
Energy: 1.853931545784754
Energy: 1.5872106687156726
Energy: 1.8526696084820438
Energy: 1.5856605082627915
Energy: 1.852669608480519
Energy: 1.6755784486171943
Energy: 1.8529704672160865
Energy: 1.6767620114631774
Energy: 1.8529704672176113
Energy: 1.664938653420334
Energy: 1.8521481356067917
Energy: 1.5866664983929877
Energy: 1.8521481356090785
Energy: 1.6739631073873322
Energy: 1.8499700483924788
Energy: 1.595103384726654
Energy: 1.8499700483909542
Energy: 1.5828088778235003
Energy: 1.7856920488070767
Energy: 1.6709488396887864
Energy: 1.7856920488063144
Energy: 1.5829454416779731
Energy: 1.7749105347307816
Energy: 1.667643714648861
Energy: 1.7749105347315441
Energy: 1.6719529868948386
Energy: 1.6025083529671695
Energy: 1.5870019424500106
Energy: 1.6025083530014055
Energy: 1.5021367287522622
Energy: 1.6087567806847802
Energy: 1.5863856771596971
Energy: 1.6087567806840177
Energy: 1.5885528113053795
Energy: 1.586871263872354
Energy: 1.5015007441917487
Energy: 1.5868712638738784
Energy: 1.586511884289327
Energy: 1.5895876434004341
Energy: 1.6707680912569611
Energy: 1.589587643401959
Energy: 1.5938195194881848
Energy: 1.5930419751497904
Energy: 1.5933595592765601
Energy: 1.5930419751490283
Energy: 1.5880039062440776
Energy: 1.5896523559343059
Energy: 1.583752169399472
Energy: 1.5896523559343059
Energy: 1.5881587625979456
Energy: 1.5866241495204623
Energy: 1.670986517834397
Energy: 1.586624149521987
Energy: 1.5861646999790238
Energy: 1.5910536866609541
Energy: 1.5867609448024398
Energy: 1.5910536866594296
Energy: 1.6711678513491683
Energy: 1.7727498556429795
Energy: 1.5830171356218554
Energy: 1.772749855644504
Energy: 1.5942707123130737
Energy: 1.767259963304125
Energy: 1.5841186341996116
Energy: 1.767259963301838
Energy: 1.5856071934285487
Energy: 1.8530206475114026
Energy: 1.5872941938016243
Energy: 1.8530206475106406
Energy: 1.6776806276115561
Energy: 1.8498631952746822
Energy: 1.6777912062650644
Energy: 1.8498631952746822
Energy: 1.5863871182118847
Energy: 1.8519236497370666
Energy: 1.6640994901658919
Energy: 1.8519236497378286
Energy: 1.5957680035738542
Energy: 1.8503558223681642
Energy: 1.6710502542429997
Energy: 1.8503558223681642
Energy: 1.6718865914624057
Energy: 1.7848747328143737
Energy: 1.5830282239614135
Energy: 1.7848747328143737
Energy: 1.6729715119962283
Energy: 1.7707685876131507
Energy: 1.5829651816534023
Energy: 1.7707685876101011
Energy: 1.6006949974123752
Energy: 1.5904438249010822
Energy: 1.6723474294175131
Energy: 1.5904438249003197
Energy: 1.58620675723556
Energy: 1.5937620550361802
Energy: 1.5017711435877403
Energy: 1.5937620550361802
Energy: 1.5014070229055247
Energy: 1.5866872757838246
Energy: 1.5867007752009885
Energy: 1.5866872757861117

minimum gb energy = 1.5014070229055247 eV
minimum distance =  2.29400211103807 Angstroms
sigma value = 1


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

Energy: 1.9034469546248987
Energy: 1.6104267557495648
Energy: 1.7112470632040593
Energy: 1.610426755745219
Energy: 1.7932653004672838
Energy: 1.7709688010340212
Energy: 1.7075006308497644
Energy: 1.7709688010331521
Energy: 1.7014089314549898
Energy: 1.7010466817959349
Energy: 1.7085133515930846
Energy: 1.701046681796804
Energy: 1.6995437225524954
Energy: 1.6995309113572143
Energy: 1.7069606089672722
Energy: 1.699530911356345
Energy: 1.7073758024873587
Energy: 1.7039628964629696
Energy: 1.7014145137775671
Energy: 1.7039628964673157
Energy: 1.69837665939292
Energy: 1.932114138556408
Energy: 1.707370214142064
Energy: 1.932114138556408
Energy: 1.6969803494837015
Energy: 1.9152946084236058
Energy: 1.706630353787008
Energy: 1.91529460842969
Energy: 1.6978586826196715
Energy: 1.908258643912272
Energy: 1.7064918670893794
Energy: 1.9082586439114029
Energy: 1.7112767510059934
Energy: 1.9832249854219408
Energy: 1.60482964592357
Energy: 1.9832249854158563
Energy: 1.7087120261241897
Energy: 1.982085403661397
Energy: 1.7989534957530802
Energy: 1.9820854036596587
Energy: 1.7921555659221151
Energy: 1.9293213477301716
Energy: 1.6962186179707217
Energy: 1.9293213477301716
Energy: 1.7927523815429875
Energy: 1.910375040851566
Energy: 1.6985950539845507
Energy: 1.910375040850697
Energy: 1.7020898271278804
Energy: 1.7220616754550928
Energy: 1.7922224668162143
Energy: 1.7220616754498776
Energy: 1.7013677620273284
Energy: 1.6978306166917032
Energy: 1.6025040604062117
Energy: 1.6978306166890957
Energy: 1.6024188419465248
Energy: 1.6995065905541828
Energy: 1.7018288679840685
Energy: 1.6995065905524442
Energy: 1.7933787250293294
Energy: 1.7019042896970684
Energy: 1.7064431130581597
Energy: 1.701904289699676
Energy: 1.707533411151377
Energy: 1.6996689738219457
Energy: 1.7084983183127145
Energy: 1.6996689738262916
Energy: 1.6993594969056154
Energy: 1.7025774052344718
Energy: 1.7079638796467367
Energy: 1.7025774052336027
Energy: 1.707130584039439
Energy: 1.6990702424848358
Energy: 1.7024397084902032
Energy: 1.6990702424909199
Energy: 1.6984777384403584
Energy: 1.6988621424703845
Energy: 1.7015659272684274
Energy: 1.6988621424738612
Energy: 1.6960966759642644
Energy: 1.9106067316859763
Energy: 1.7055157911371772
Energy: 1.9106067316833686
Energy: 1.6972419661902478
Energy: 1.9116437541547127
Energy: 1.7067405119144117
Energy: 1.9116437541547127
Energy: 1.7078127143642423
Energy: 1.9832678432916313
Energy: 1.6055108541330683
Energy: 1.9832678432907622
Energy: 1.7080805888250479
Energy: 1.9816017870077431
Energy: 1.7037143357839222
Energy: 1.9816017870042664
Energy: 1.7906213565550553
Energy: 1.9289600206078281
Energy: 1.6964301279068623
Energy: 1.9289600206086974
Energy: 1.7930056732509798
Energy: 1.9103532455850294
Energy: 1.6960528952016072
Energy: 1.9103532455841603
Energy: 1.719607395770558
Energy: 1.704273684423894
Energy: 1.792521821429081
Energy: 1.7042736844221555
Energy: 1.7022530588282496
Energy: 1.7030596802993316
Energy: 1.6023212886298637
Energy: 1.7030596803088927
Energy: 1.602113631949275
Energy: 1.6991060388692656
Energy: 1.6993939018797153
Energy: 1.6991060388675272

minimum gb energy = 1.602113631949275 eV
minimum distance =  2.29506007153856 Angstroms
sigma value = 25


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

Energy: 2.027438705567819
Energy: 1.7297991133613102
Energy: 1.8428351340289484
Energy: 1.7297991133603
Energy: 1.834613191237874
Energy: 1.9011157393003686
Energy: 1.8409691596720246
Energy: 1.9011157393003686
Energy: 1.8313472993567819
Energy: 1.8315667352479348
Energy: 1.7467659764936823
Energy: 1.8315667352479348
Energy: 1.8300457898967206
Energy: 1.8374848178448457
Energy: 1.7461776761094396
Energy: 1.8374848178448457
Energy: 1.7459576981948823
Energy: 1.8640316724423498
Energy: 1.835210858424111
Energy: 1.8640316724403287
Energy: 1.7224339026514865
Energy: 2.098812353222838
Energy: 1.7488158532316038
Energy: 2.098812353222838
Energy: 1.8279062011238751
Energy: 2.0753961442105027
Energy: 1.82601748838577
Energy: 2.0753961442125233
Energy: 1.8280049125281974
Energy: 2.068018854906462
Energy: 1.746823951090755
Energy: 2.068018854908483
Energy: 1.8280205378703276
Energy: 2.0708949323782364
Energy: 1.7217646379334977
Energy: 2.0708949323792467
Energy: 1.7213266756811372
Energy: 2.070866393794013
Energy: 1.7470093287007094
Energy: 2.0708663937960337
Energy: 1.7173211697672686
Energy: 1.8370827487056924
Energy: 1.8371709813434536
Energy: 1.8370827487046817
Energy: 1.7173078476737822
Energy: 1.8359889902336568
Energy: 1.7468436642332716
Energy: 1.8359889902336568
Energy: 1.8292188531312275
Energy: 1.829420391429889
Energy: 1.717585013389189
Energy: 1.829420391428879
Energy: 1.8403621065152085
Energy: 1.7225887468383907
Energy: 1.8326789889914339
Energy: 1.7225887468383907
Energy: 1.7466751940122867
Energy: 1.8293645502793068
Energy: 1.8409309527775468
Energy: 1.829364550280317
Energy: 1.8306658978454806
Energy: 1.7228162065432056
Energy: 1.8299954578433393
Energy: 1.7228162065442156
Energy: 1.8363817908635307
Energy: 1.8267903329161772
Energy: 1.7471310130462518
Energy: 1.8267903329171875
Energy: 1.8373901425298294
Energy: 1.828092832670745
Energy: 1.7218564434979342
Energy: 1.8280928326727661
Energy: 1.8259508312047052
Energy: 2.0781259003012713
Energy: 1.8272575925339034
Energy: 2.0781259003012713
Energy: 1.7482913416804151
Energy: 2.076466239791976
Energy: 1.8268606275309411
Energy: 2.076466239791976
Energy: 1.7169559820366023
Energy: 2.099211375494575
Energy: 1.8285067122778789
Energy: 2.0992113754955852
Energy: 1.717171599414543
Energy: 2.1005377248468062
Energy: 1.7213392662614868
Energy: 2.100537724849837
Energy: 1.8370315189569313
Energy: 1.8640580659419537
Energy: 1.7172310357432072
Energy: 1.8640580659459953
Energy: 1.746450225102424
Energy: 1.8357887871663046
Energy: 1.717230615249689
Energy: 1.8357887871663046
Energy: 1.717106991111415
Energy: 1.8290302530979494
Energy: 1.8300635372312941
Energy: 1.8290302530989597

minimum gb energy = 1.7169559820366023 eV
minimum distance =  2.29757393987329 Angstroms
sigma value = 9


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

Energy: 2.7176207107498294
Energy: 1.8642418024415512
Energy: 1.996378948018483
Energy: 1.8642418024403458
Energy: 2.1051465779233003
Energy: 2.045871337315722
Energy: 1.9957794077705957
Energy: 2.045871337315722
Energy: 1.977701657993552
Energy: 1.9794305729736956
Energy: 1.9965675866168708
Energy: 1.9794305729724904
Energy: 1.9777896308128151
Energy: 2.0475256631680163
Energy: 1.9925622631831645
Energy: 2.0475256631668106
Energy: 1.987479565515336
Energy: 2.03231259897241
Energy: 1.991349084983284
Energy: 2.0323125989712048
Energy: 1.9750467764330528
Energy: 2.10826191778289
Energy: 1.9931974579880156
Energy: 2.1082619177889166
Energy: 2.0980561230293833
Energy: 2.298193476911826
Energy: 1.992623074292899
Energy: 2.2981934769130317
Energy: 1.9930098659837114
Energy: 2.261961523383289
Energy: 1.9940792024184215
Energy: 2.2619615233844947
Energy: 1.9932991686297108
Energy: 2.033108227704665
Energy: 1.8450480836191143
Energy: 2.0331082277106916
Energy: 1.9928898835910285
Energy: 1.9936754043119407
Energy: 1.8449494415573036
Energy: 1.9936754043143512
Energy: 1.844276399694199
Energy: 1.978157408444414
Energy: 1.9779465802285583
Energy: 1.9781574084456193
Energy: 2.106319577819639
Energy: 1.9748028630626613
Energy: 1.995550656925035
Energy: 1.974802863065072
Energy: 1.9960648734125337
Energy: 1.9780575991967044
Energy: 1.996741433514365
Energy: 1.9780575991967044
Energy: 1.9776574084263452
Energy: 1.9742760230066267
Energy: 1.978778565938812
Energy: 1.9742760230030107
Energy: 1.9875680789763903
Energy: 1.9736252440872455
Energy: 1.9927846100161828
Energy: 1.9736252440884507
Energy: 1.974722462798456
Energy: 1.995087179090636
Energy: 1.9918977980408177
Energy: 1.995087179090636
Energy: 2.0976213440191707
Energy: 2.3034301102258934
Energy: 1.9926949338030173
Energy: 2.3034301102258934
Energy: 2.0974025041944766
Energy: 2.303361078528758
Energy: 1.992952291037892
Energy: 2.303361078532347
Energy: 1.994141925798192
Energy: 1.9954100184282262
Energy: 1.8449236676207967
Energy: 1.9954100184258152
Energy: 1.9928846030252443
Energy: 1.9937042929662683
Energy: 1.8450055283143674
Energy: 1.993704292928902
Energy: 1.8434841335310903
Energy: 1.9782235764196985
Energy: 1.9768180018834947
Energy: 1.978223576420904

minimum gb energy = 1.8434841335310903 eV
minimum distance =  2.29440592921966 Angstroms
sigma value = 25


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

Energy: 2.4432483682182125
Energy: 2.007955355440672
Energy: 2.1815991939983186
Energy: 2.0079553554421627
Energy: 2.1556505611073487
Energy: 2.1366845676091684
Energy: 2.1720894004866707
Energy: 2.1366845676091684
Energy: 2.152623261432131
Energy: 2.1523735872033756
Energy: 2.171091751195775
Energy: 2.1523735872033756
Energy: 2.1508495269059127
Energy: 2.137905368671858
Energy: 2.040383264740758
Energy: 2.137905368671858
Energy: 2.032465710863271
Energy: 2.0419673615333265
Energy: 2.0403323684829258
Energy: 2.041967361393271
Energy: 1.9942025391250955
Energy: 2.2850518031477347
Energy: 2.037469037535408
Energy: 2.2850518031477347
Energy: 1.9865808298146317
Energy: 2.2287193444470894
Energy: 2.0405742846165396
Energy: 2.2287193444455986
Energy: 1.9862769051169167
Energy: 2.1396659466331927
Energy: 2.0401514132744514
Energy: 2.1396659466331927
Energy: 2.1510841418578557
Energy: 2.150967364063862
Energy: 2.3023410923513956
Energy: 2.150967364063862
Energy: 2.1725337337685673
Energy: 1.9955643765272406
Energy: 2.2972191608732184
Energy: 1.9955643765272406
Energy: 2.170801973999571
Energy: 2.151616331558183
Energy: 2.171832590309594
Energy: 2.151616331558183
Energy: 2.149175304559416
Energy: 1.995695612679398
Energy: 2.1521316758318543
Energy: 1.9956956126808887
Energy: 2.0383114112051888
Energy: 2.286011190934799
Energy: 2.0325208445156715
Energy: 2.286011190934799
Energy: 2.0400348313797014
Energy: 2.043324994870936
Energy: 1.9965645966632095
Energy: 2.043324994867955
Energy: 2.039864643903439
Energy: 2.2607885243252466
Energy: 1.9867683237584244
Energy: 2.260788524329719
Energy: 2.039217785505518
Energy: 2.044358045812163
Energy: 1.9868716419474994
Energy: 2.0443580458196164
Energy: 2.2995033971952537
Energy: 2.1503569390538484
Energy: 2.1490033069962124
Energy: 2.1503569390538484

minimum gb energy = 1.9862769051169167 eV
minimum distance =  2.29262710607783 Angstroms
sigma value = 17


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

Energy: 3.2250474018128483
Energy: 2.2269531959196094
Energy: 2.362943028994959
Energy: 2.2269531959196094
Energy: 2.04314175935165
Energy: 2.081104200651261
Energy: 2.2472326778113976
Energy: 2.081104200651261
Energy: 2.1293337446534797
Energy: 2.1289790732930727
Energy: 2.3418790142658445
Energy: 2.1289790732913842
Energy: 2.129496030887825
Energy: 2.2998604006710512
Energy: 2.1263018177382462
Energy: 2.29986040067274
Energy: 2.129394390927446
Energy: 2.243771027992556
Energy: 2.046538100168141
Energy: 2.2437710279934002
Energy: 2.1273166258049305
Energy: 2.16454523490928
Energy: 2.1290918888647457
Energy: 2.1645452349109684
Energy: 2.2038113859662722
Energy: 2.126249357770785
Energy: 2.1279096471301004
Energy: 2.126249357770785
Energy: 2.4283197827193987
Energy: 2.1256674250555543
Energy: 2.084577491160824
Energy: 2.12566742505471
Energy: 2.3457638483190815
Energy: 2.3201129421016407
Energy: 2.3224808622128186
Energy: 2.3201129421024853
Energy: 2.3201412091254334
Energy: 2.319848415742411
Energy: 2.243489553760031
Energy: 2.3198484157432553
Energy: 2.125277643689679
Energy: 2.0505817729453573
Energy: 2.077139990706952
Energy: 2.050581772942825
Energy: 2.3207653867305833
Energy: 2.0817363275820266
Energy: 2.0813935466036604
Energy: 2.081736327579494
Energy: 2.2039141308197543
Energy: 2.0813446752929075
Energy: 2.0818335637027485
Energy: 2.0813446752937517
Energy: 2.2047935151695857
Energy: 2.0821020430043897
Energy: 2.0793836140245188
Energy: 2.0821020430043897
Energy: 2.3193429685564477
Energy: 2.3183972012785667
Energy: 2.431982324300229
Energy: 2.3183972012785667
Energy: 2.341403504573598
Energy: 2.3188006409805726
Energy: 2.4331342979975874
Energy: 2.318800640979728
Energy: 2.321363338433913
Energy: 2.126349998423956
Energy: 2.1298845093217444
Energy: 2.126349998423956
Energy: 2.3213886299097135
Energy: 2.126198807067808
Energy: 2.124550772769464
Energy: 2.126198807068653
Energy: 2.128143317201307
Energy: 2.2440768514807425
Energy: 2.1307382266993296
Energy: 2.2440768514807425
Energy: 2.048670064524689
Energy: 2.1641761488848297
Energy: 2.1306634998279677
Energy: 2.1641761488839855
Energy: 2.1274996679606466
Energy: 2.1280393898276833
Energy: 2.4286747431765763
Energy: 2.1280393898276833
Energy: 2.1300216595078587
Energy: 2.1484876862986693
Energy: 2.2042733784767514
Energy: 2.148487686296981
Energy: 2.2449101245643504
Energy: 2.3202971927702976
Energy: 2.2448987571688392
Energy: 2.320297192771142
Energy: 2.3445644467720856
Energy: 2.3199775700524894
Energy: 2.3202436224219816
Energy: 2.3199775700524894
Energy: 2.08113368259302
Energy: 2.0808627621062077
Energy: 2.3206477107301007
Energy: 2.080862762107052
Energy: 2.082749236759703
Energy: 2.0817794740571807
Energy: 2.1262719397804886
Energy: 2.0817794740538034
Energy: 2.0763991840239244
Energy: 2.0813837878773476
Energy: 2.2071268742390444
Energy: 2.081383787875659
Energy: 2.084586843645861
Energy: 2.0809385363322384
Energy: 2.205541032104465
Energy: 2.0809385363297053
Energy: 2.0809772906815325
Energy: 2.0805715951464943
Energy: 2.2039982569291157
Energy: 2.0805715951464943
Energy: 2.4354019598363283
Energy: 2.3205044880258567
Energy: 2.3193677688130836
Energy: 2.320504488026701

minimum gb energy = 2.04314175935165 eV
minimum distance =  2.29508801381197 Angstroms
sigma value = 53


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

Energy: 2.9719197700465547
Energy: 2.0301520390099848
Energy: 2.249340061547225
Energy: 2.0301520390119285
Energy: 2.456473407687198
Energy: 2.140186566101899
Energy: 2.2445136471517504
Energy: 2.140186566101899
Energy: 2.244444208207414
Energy: 2.2441063386345674
Energy: 2.261414891072307
Energy: 2.2441063386345674
Energy: 2.2440956020499865
Energy: 2.144421743628696
Energy: 2.2407186984132754
Energy: 2.144421743628696
Energy: 2.2728476456899886
Energy: 2.1429396517542094
Energy: 2.015030276672617
Energy: 2.142939651752266
Energy: 2.2410767821507154
Energy: 2.1476345541787127
Energy: 2.017584546270082
Energy: 2.1476345541787127
Energy: 2.4508142473842636
Energy: 2.24341153595127
Energy: 2.2444172857473927
Energy: 2.2434115359493263
Energy: 2.4505636195442726
Energy: 2.241133689842779
Energy: 2.238543595247732
Energy: 2.241133689842779
Energy: 2.248476260555789
Energy: 2.2463970148796606
Energy: 2.2652254998552435
Energy: 2.2463970148796606
Energy: 2.240669407042298
Energy: 2.2430886497032843
Energy: 2.244199232258599
Energy: 2.243088649705228
Energy: 2.270778312522269
Energy: 2.1537117316138548
Energy: 2.01696583580623
Energy: 2.1537117316138548
Energy: 2.2474494939647633
Energy: 2.141992878894624
Energy: 2.0076272698154827
Energy: 2.1419928788926805
Energy: 2.4505994279683336
Energy: 2.241371043754954
Energy: 2.2399483655949126
Energy: 2.2413710437568977

minimum gb energy = 2.0076272698154827 eV
minimum distance =  2.28590017378411 Angstroms
sigma value = 9


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

Energy: 2.8501147708920325
Energy: 2.282883496898916
Energy: 2.4889200382052157
Energy: 2.2828834969003546
Energy: 2.2009938744349973
Energy: 2.1211793276305078
Energy: 2.413747786966602
Energy: 2.121179327632666
Energy: 2.1161758711292498
Energy: 2.118546223761741
Energy: 2.3876872125044204
Energy: 2.1185462237603025
Energy: 2.1207189864368026
Energy: 2.1235552358220695
Energy: 2.5197401735378966
Energy: 2.1235552358206307
Energy: 2.122668778999512
Energy: 2.1205836505361604
Energy: 2.515698926889382
Energy: 2.1205836505375997
Energy: 2.1203966811688355
Energy: 2.1210096712071755
Energy: 2.5159605395009224
Energy: 2.1210096712050177
Energy: 2.431290248290448
Energy: 2.3889885028767246
Energy: 2.4160232543587763
Energy: 2.388988502878883
Energy: 2.4144147062197976
Energy: 2.387633897412521
Energy: 2.3895542561151775
Energy: 2.3876338974139597
Energy: 2.1818313902384014
Energy: 2.2823642305053986
Energy: 2.2154258996615517
Energy: 2.2823642305061185
Energy: 2.135900851006889
Energy: 2.2212151669390043
Energy: 2.392475736019627
Energy: 2.2212151669397233
Energy: 2.17887808344266
Energy: 2.1791395285209147
Energy: 2.3468913083057017
Energy: 2.1791395285209147
Energy: 2.2133389767563463
Energy: 2.1831316706868984
Energy: 2.5168853171648133
Energy: 2.183131670684021
Energy: 2.4123929318879926
Energy: 2.1795682863943355
Energy: 2.224380464109757
Energy: 2.1795682863986516
Energy: 2.432028915552803
Energy: 2.1811474354288167
Energy: 2.182828531269809
Energy: 2.1811474354316944
Energy: 2.3875547206934096
Energy: 2.1851616630064368
Energy: 2.1862065137505033
Energy: 2.1851616630057173
Energy: 2.2578172355358315
Energy: 2.31038853986226
Energy: 2.187770568590902
Energy: 2.310388539849377
Energy: 2.392190773509639
Energy: 2.296278315259987
Energy: 2.185252189050569
Energy: 2.296278315259987
Energy: 2.3883184095754286
Energy: 2.3916246721906966
Energy: 2.519436144683963
Energy: 2.3916246721906966
Energy: 2.414789332883609
Energy: 2.218998390348047
Energy: 2.202623704126298
Energy: 2.2189983903487662
Energy: 2.3881888840916035
Energy: 2.1173398048846397
Energy: 2.115767366412847
Energy: 2.117339804886078
Energy: 2.5212126515659516
Energy: 2.1223529309746074
Energy: 2.12403052132545
Energy: 2.122352930973169
Energy: 2.5157687408237965
Energy: 2.119764220917502
Energy: 2.120720935548238
Energy: 2.11976422091397
Energy: 2.5157514640209095
Energy: 2.1222297878155754
Energy: 2.120322992086159
Energy: 2.1222297878170147
Energy: 2.417556371602752
Energy: 2.388322199347843
Energy: 2.414445595229293
Energy: 2.388322199347843
Energy: 2.390493981750083
Energy: 2.3878142962621762
Energy: 2.4163330678848545
Energy: 2.3878142962614572
Energy: 2.212313762035041
Energy: 2.3072398389035422
Energy: 2.182100488516298
Energy: 2.307239838904981
Energy: 2.3891190933829853
Energy: 2.2188397294341913
Energy: 2.1355980754538693
Energy: 2.218839729432033
Energy: 2.3443857471769505
Energy: 2.18001010778114
Energy: 2.1803457194532463
Energy: 2.180010107778982
Energy: 2.5167326147676494
Energy: 2.184739094579162
Energy: 2.2086826165323337
Energy: 2.1847390945813197
Energy: 2.2263038258723444
Energy: 2.1800957526553972
Energy: 2.412241516297249
Energy: 2.1800957526568365
Energy: 2.1859044053876633
Energy: 2.182543138290391
Energy: 2.388713411346266
Energy: 2.1825431382896716
Energy: 2.1855262293707383
Energy: 2.1870476665157965
Energy: 2.388166530176248
Energy: 2.1870476665178895
Energy: 2.2089623918751613
Energy: 2.4102768497727203
Energy: 2.257397575388398
Energy: 2.4102768497727203
Energy: 2.182985377774832
Energy: 2.299335605894222
Energy: 2.2645487675818403
Energy: 2.299335605892783
Energy: 2.519352682292557
Energy: 2.3903376216607835
Energy: 2.3879777231112445
Energy: 2.3903376216629413

minimum gb energy = 2.115767366412847 eV
minimum distance =  2.26474356663954 Angstroms
sigma value = 73


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

Energy: 2.7162083570967566
Energy: 2.1257025324042647
Energy: 2.2945459688280336
Energy: 2.125702532403124
Energy: 2.3155172986359345
Energy: 2.129436061519171
Energy: 2.319481254992974
Energy: 2.129436061519171
Energy: 2.1171287386444297
Energy: 2.1200175368731644
Energy: 2.28430294233139
Energy: 2.1200175368720227
Energy: 2.1200284660920006
Energy: 2.1219247320692936
Energy: 2.4743088518103993
Energy: 2.1219247320692936
Energy: 2.1262673213372834
Energy: 2.127316726725347
Energy: 2.471093362463832
Energy: 2.127316726725347
Energy: 2.1290039869262523
Energy: 2.1283283577324617
Energy: 2.471130822962209
Energy: 2.1283283577313203
Energy: 2.3083869202518055
Energy: 2.2908940395345043
Energy: 2.3236384771201486
Energy: 2.2908940395345043
Energy: 2.3113128772391227
Energy: 2.2882227528604413
Energy: 2.286981309210262
Energy: 2.2882227528593
Energy: 2.2891984132925316
Energy: 2.289690989678565
Energy: 2.2970488258367787
Energy: 2.289690989671717
Energy: 2.1477723626928036
Energy: 2.2905977235781587
Energy: 2.291405591751153
Energy: 2.2905977235747352
Energy: 2.2846597926156944
Energy: 2.2884021689530183
Energy: 2.4711347528507885
Energy: 2.2884021689530183
Energy: 2.3235925176393306
Energy: 2.2897623350575627
Energy: 2.4743263891965217
Energy: 2.2897623350575627
Energy: 2.283336767381855
Energy: 2.128646455291481
Energy: 2.12995146833864
Energy: 2.128646455291481
Energy: 2.2844475508250692
Energy: 2.1252787125162804
Energy: 2.12192189214698
Energy: 2.1252787125162804
Energy: 2.473474133633652
Energy: 2.1194320997236753
Energy: 2.1178996528134255
Energy: 2.1194320997248166
Energy: 2.4714249096058722
Energy: 2.121280234224289
Energy: 2.1178468606171905
Energy: 2.12128023422543
Energy: 2.4710784822159795
Energy: 2.130223193117941
Energy: 2.130567987644978
Energy: 2.1302231931168003
Energy: 2.3230315577999248
Energy: 2.2902868279968684
Energy: 2.4748255592134005
Energy: 2.2902868279968684
Energy: 2.288423051929152
Energy: 2.291082390969988
Energy: 2.3127408244948273
Energy: 2.291082390969988
Energy: 2.289824159279619
Energy: 2.2753493311664457
Energy: 2.2923687784496813
Energy: 2.2753493311664457
Energy: 2.2873984730385226
Energy: 2.2896254000745415
Energy: 2.098649958914613
Energy: 2.289625400072259
Energy: 2.4745525582521215
Energy: 2.287872818863022
Energy: 2.289499020585193
Energy: 2.287872818863022

minimum gb energy = 2.098649958914613 eV
minimum distance =  2.26983358306494 Angstroms
sigma value = 7


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

Energy: 2.5406691872918103
Energy: 2.2258975395961005
Energy: 2.2874041543246837
Energy: 2.225897539594523
Energy: 2.2041288451880368
Energy: 2.2875514896330604
Energy: 2.3169537304055283
Energy: 2.2875514896346747
Energy: 2.1399143812039974
Energy: 2.1397836276679802
Energy: 2.3484090657944976
Energy: 2.1397836276663664
Energy: 2.1450131604240914
Energy: 2.1464908024520266
Energy: 2.547196641548055
Energy: 2.1464908024463774
Energy: 2.1389274991304994
Energy: 2.136645422994617
Energy: 2.429332686928479
Energy: 2.13664542299381
Energy: 2.2303437259160055
Energy: 2.1374680407715507
Energy: 2.4278570134621287
Energy: 2.137468040774779
Energy: 2.3449831242201955
Energy: 2.139928763459682
Energy: 2.1684954147627606
Energy: 2.13992876346291
Energy: 2.302927941123532
Energy: 2.135883035228222
Energy: 2.135829818727577
Energy: 2.135883035228222
Energy: 2.485351598859571
Energy: 2.1666025709916137
Energy: 2.1665990219030204
Energy: 2.1666025709924206
Energy: 2.421552137851371
Energy: 2.4581896803941183
Energy: 2.138532636776825
Energy: 2.458189680391697
Energy: 2.482722327843946
Energy: 2.3449875081930065
Energy: 2.4656725731615827
Energy: 2.344987508188971
Energy: 2.346762965217613
Energy: 2.350516041590264
Energy: 2.3464273969676483
Energy: 2.350516041589457
Energy: 2.3518289351116883
Energy: 2.3489892701995077
Energy: 2.2343302752340333
Energy: 2.348989270201122
Energy: 2.3474338108479107
Energy: 2.322434823566774
Energy: 2.201901968123173
Energy: 2.322434823564353
Energy: 2.3498144838582866
Energy: 2.133178502783755
Energy: 2.206716655693306
Energy: 2.1331785027813344
Energy: 2.394990718816886
Energy: 2.1360751959152933
Energy: 2.2653581179783946
Energy: 2.13607519592175
Energy: 2.513156987243914
Energy: 2.128731941652964
Energy: 2.283871547505751
Energy: 2.1287319416505435
Energy: 2.196080237895524
Energy: 2.41037371554249
Energy: 2.3490904800741825
Energy: 2.4103737155432974
Energy: 2.207584560690335
Energy: 2.208786572248621
Energy: 2.364470470966943
Energy: 2.208786572247814
Energy: 2.1947203762704453
Energy: 2.1946101706017447
Energy: 2.4560479452631143
Energy: 2.1946101705977092
Energy: 2.329718620310969
Energy: 2.1964674788067655
Energy: 2.360866267975288
Energy: 2.196467478799502
Energy: 2.408659176743003
Energy: 2.141884634791001
Energy: 2.1536130008833703
Energy: 2.141884634791001
Energy: 2.409789291387524
Energy: 2.140560530596649
Energy: 2.1425567496142204
Energy: 2.140560530596649
Energy: 2.461975555428503
Energy: 2.1472430546405157
Energy: 2.146031013476709
Energy: 2.147243054638095
Energy: 2.420358496380887
Energy: 2.142922390460718
Energy: 2.1431805898304117
Energy: 2.142922390458297
Energy: 2.4926360105570424
Energy: 2.5499727344208103
Energy: 2.143723794448145
Energy: 2.549972734419196
Energy: 2.2897390088182044
Energy: 2.2902073441944597
Energy: 3.4798905715839816
Energy: 2.2902073441984947
Energy: 2.2903212031995386
Energy: 2.290843255603847
Energy: 2.2861022775169495
Energy: 2.290843255602233
Energy: 2.294443836686026
Energy: 2.2669939920221687
Energy: 2.292574322008753
Energy: 2.266993992018941
Energy: 2.28865237585715
Energy: 2.287942061456376
Energy: 2.202160413719942
Energy: 2.287942061457184
Energy: 2.4574421656623704
Energy: 2.2859880975308053
Energy: 2.291352738217945
Energy: 2.2859880975243487

minimum gb energy = 2.1287319416505435 eV
minimum distance =  2.24879023767194 Angstroms
sigma value = 29


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

Energy: 2.0695652162236753
Energy: 2.070183905201539
Energy: 2.0837364618360525
Energy: 2.0701839052018203
Energy: 2.051730775783991
Energy: 2.199368252121915
Energy: 2.0843661987887288
Energy: 2.199368252122196
Energy: 2.0732217229409966
Energy: 2.2151165790681344
Energy: 2.058441502297488
Energy: 2.2151165790692278
Energy: 2.0551884547636
Energy: 2.0724872733689357
Energy: 2.0707172765146593
Energy: 2.0724872733686546
Energy: 2.070534091452381
Energy: 2.07330171633046
Energy: 2.056360219762095
Energy: 2.073301716329617
Energy: 2.070289628445009
Energy: 2.205192138420606
Energy: 2.054830062025111
Energy: 2.2051921384208555
Energy: 2.0577114638162324
Energy: 2.213929178256968
Energy: 2.071899896293958
Energy: 2.2139291782575303
Energy: 2.0743792966872485
Energy: 2.075004086326361
Energy: 2.05202925487446
Energy: 2.075004086326642
Energy: 2.0512586307224305
Energy: 2.07517271218668
Energy: 2.0752600767342453
Energy: 2.07517271218668

minimum gb energy = 2.0512586307224305 eV
minimum distance =  2.26020673291132 Angstroms
sigma value = 5


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

Energy: 2.9775084943038435
Energy: 1.9069708175458089
Energy: 2.294950474685982
Energy: 1.90697081755267
Energy: 1.99693503838182
Energy: 1.95351266012915
Energy: 2.3284393020138494
Energy: 1.9535126601306745
Energy: 2.328677368599741
Energy: 2.096598095531274
Energy: 2.334978395987681
Energy: 2.096598095532037
Energy: 1.9942289429747928
Energy: 1.9513036443955791
Energy: 2.321752532451698
Energy: 1.9513036443993907
Energy: 2.321355233220711
Energy: 1.951356798100159
Energy: 2.330187573409942
Energy: 1.951356798101684
Energy: 1.954052749589696
Energy: 1.9513228995495084
Energy: 2.331483978402682
Energy: 1.951322899548746
Energy: 1.9525941850224255
Energy: 1.9516987066776064
Energy: 2.3229494259377064
Energy: 1.9516987066745568
Energy: 1.955395636063262
Energy: 1.9534052110325892
Energy: 2.6380878123571656
Energy: 1.9534052110303022
Energy: 2.00003955716559
Energy: 2.0102049820811594
Energy: 2.6497679292541436
Energy: 2.010204982080397
Energy: 2.337775284916524
Energy: 1.9071329749351882
Energy: 1.909066844729828
Energy: 1.9071329749336634
Energy: 1.9992864240877821
Energy: 1.9066697519195694
Energy: 1.9081715596559425
Energy: 1.9066697519127083
Energy: 2.655395886717042
Energy: 1.9060487685113747
Energy: 1.9081729321658942
Energy: 1.9060487685106124
Energy: 2.636028808049134
Energy: 1.9071936353008783
Energy: 1.9102435915519
Energy: 1.9071936353024028
Energy: 1.9983327885467828
Energy: 2.0037871848372473
Energy: 2.3319598693501074
Energy: 2.00378718483496
Energy: 1.9542211153612787
Energy: 1.9518570361167638
Energy: 2.3308277801950568
Energy: 1.9518570361160013
Energy: 1.9541835171701745
Energy: 1.9530471205885336
Energy: 2.3197842536184217
Energy: 1.9530471205915827
Energy: 1.9533792478169656
Energy: 1.9516833465725345
Energy: 1.9951988402296248
Energy: 1.9516833465710102
Energy: 2.327206273416194
Energy: 1.9532515839538276
Energy: 1.9979647069515145
Energy: 1.9532515839523028
Energy: 2.3379862159751825
Energy: 2.0965904656098777
Energy: 2.3260380341996774
Energy: 2.0965904656098777
Energy: 2.323518430520085
Energy: 1.9513177844296545
Energy: 1.9926357902130543
Energy: 1.9513177844273675
Energy: 2.330781099303042
Energy: 1.9515198765419894
Energy: 2.3236987164206884
Energy: 1.951519876542752
Energy: 2.3310500263886453
Energy: 1.951305918636197
Energy: 1.9538440211660493
Energy: 1.951305918636197
Energy: 2.322385234389247
Energy: 1.9518160986780937
Energy: 1.9529806218633716
Energy: 1.9518160986773312
Energy: 2.637353539579528
Energy: 1.9536958165715372
Energy: 1.9549699718081632
Energy: 1.953695816570775
Energy: 2.637340526704402
Energy: 2.004164454352873
Energy: 1.9994990576004095
Energy: 2.00416445435211
Energy: 1.9095901817906162
Energy: 1.9069397407507493
Energy: 2.3374294582990016
Energy: 1.906939740749987
Energy: 1.9080875276252358
Energy: 1.906823197317433
Energy: 2.0000121044647585
Energy: 1.906823197318195
Energy: 1.9078327093308236
Energy: 1.9061958737844367
Energy: 2.002344346998633
Energy: 1.9061958737851992
Energy: 1.9085930831562072
Energy: 1.9065958405767993
Energy: 2.635566672700962
Energy: 1.9065958405760373
Energy: 2.3326993801199927
Energy: 2.0032276501978936
Energy: 1.9977414298525786
Energy: 2.003227650197131
Energy: 2.3332959109061413
Energy: 1.9526856556718952
Energy: 1.9546337935425193
Energy: 1.952685655669608
Energy: 2.3192199019606603
Energy: 1.9521189714252578
Energy: 1.9542487379562885
Energy: 1.95211897142602
Energy: 1.9969281729632975
Energy: 1.9513177180636996
Energy: 1.953510952077506
Energy: 1.951317718067511

minimum gb energy = 1.9060487685106124 eV
minimum distance =  2.24574822953831 Angstroms
sigma value = 1


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

Energy: 2.9009663691362593
Energy: 1.7918013281729306
Energy: 2.206646706362671
Energy: 1.7918013281718765
Energy: 1.899631489542945
Energy: 1.8480870626057664
Energy: 2.3698346871204112
Energy: 1.8480870626068202
Energy: 2.3717382516493117
Energy: 2.0333694374741875
Energy: 2.378121464097739
Energy: 2.033369437471025
Energy: 1.8940304548833917
Energy: 2.0349343604793986
Energy: 2.3574170293605397
Energy: 2.0349343604783443
Energy: 1.846018293246459
Energy: 1.8440754362492484
Energy: 2.3688348397407983
Energy: 1.8440754362524108
Energy: 1.8429564199450212
Energy: 1.844766437241425
Energy: 2.3665539422907758
Energy: 1.8447664372319386
Energy: 1.8412560799968503
Energy: 1.8430750568977645
Energy: 2.3592457783001595
Energy: 1.8430750568956564
Energy: 1.847855856774642
Energy: 1.8494865419626878
Energy: 2.810236030810742
Energy: 1.8494865419626878
Energy: 2.365005472350933
Energy: 1.925663232554607
Energy: 2.8101776024043983
Energy: 1.925663232550391
Energy: 2.3691412440921313
Energy: 1.8492448032860602
Energy: 1.847609777774558
Energy: 1.849244803282898
Energy: 2.3611322219790125
Energy: 1.8426982121693996
Energy: 1.8405389783167587
Energy: 1.8426982121651836
Energy: 2.8075850598606986
Energy: 1.8461214967178152
Energy: 1.844282692238632
Energy: 1.8461214967241397
Energy: 2.8077470159566467
Energy: 1.843841241885275
Energy: 1.8448853196528063
Energy: 1.843841241885275
Energy: 1.8498303640420286
Energy: 2.0369277717353684
Energy: 2.376177714779496
Energy: 2.0369277717353684
Energy: 1.8984797729703708
Energy: 2.0329470402598355
Energy: 2.3725171045644275
Energy: 2.0329470402587817
Energy: 1.9020472753693574
Energy: 1.847075254087282
Energy: 2.3581611488037733
Energy: 1.8470752540809576
Energy: 1.8445630277396594
Energy: 1.8448496318704597
Energy: 2.3761583873586303
Energy: 1.8448496318715135
Energy: 1.8460450448625854
Energy: 1.8485587068786788
Energy: 2.3564326099213804
Energy: 1.8485587068755167
Energy: 1.8414400583531318
Energy: 1.8430211189640264
Energy: 2.810324484155515
Energy: 1.8430211189587562
Energy: 1.846473775187857
Energy: 1.8507581725880284
Energy: 2.8099373113282606
Energy: 1.8507581725901368
Energy: 2.3699597346814896
Energy: 1.9261390034150068
Energy: 2.3574950942394834
Energy: 1.9261390034150068
Energy: 2.372994791467334
Energy: 1.8474908492450919
Energy: 1.8472134724158213
Energy: 1.847490849244038
Energy: 1.848281028909199
Energy: 1.845002711061843
Energy: 1.8443462003113
Energy: 1.845002711062897
Energy: 2.807562562945352
Energy: 1.8439762962875763
Energy: 1.8423025120032233
Energy: 1.84397629628336

minimum gb energy = 1.7918013281718765 eV
minimum distance =  2.25017543554763 Angstroms
sigma value = 17


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

Energy: 2.0046403715481604
Energy: 1.7658724675683988
Energy: 2.1894783218677745
Energy: 1.7658724675670956
Energy: 1.8381157355899795
Energy: 1.8058861744426151
Energy: 2.1392722645912627
Energy: 1.8058861744445696
Energy: 2.425812299110204
Energy: 1.7991933069041757
Energy: 2.139829732231317
Energy: 1.799193306900918
Energy: 2.414571308510351
Energy: 1.8908091414285035
Energy: 2.126853109292499
Energy: 1.8908091414278518
Energy: 2.0941062678424287
Energy: 1.7662753469371975
Energy: 2.2141083250990135
Energy: 1.7662753469352428
Energy: 1.7664237965958034
Energy: 1.7661303137074087
Energy: 2.209285943281125
Energy: 1.7661303137106663
Energy: 1.7658447913431616
Energy: 1.7653243179766067
Energy: 1.8354524311172549
Energy: 1.7653243179792126
Energy: 1.7679128767813814
Energy: 1.7665978500090145
Energy: 1.9986988226887277
Energy: 1.766597850008363
Energy: 2.424929950470587
Energy: 1.7658394482518978
Energy: 2.1344386954822916
Energy: 1.7658394482512463
Energy: 2.142193861616604
Energy: 1.8887724288707777
Energy: 2.131395823940019
Energy: 1.8887724288746868
Energy: 2.421156499268763
Energy: 1.7987677181072173
Energy: 1.8298762174714214
Energy: 1.7987677181085204
Energy: 2.2034872994275148
Energy: 1.7993469953625199
Energy: 2.128934262902894
Energy: 1.7993469953631713
Energy: 2.2196787803193105
Energy: 1.7985336822461664
Energy: 1.799490033102537
Energy: 1.7985336822741809
Energy: 1.8027982166055148
Energy: 1.7997061426384484
Energy: 1.801860863188075
Energy: 1.7997061426391
Energy: 2.4337380168566596
Energy: 1.8048358758672416
Energy: 1.8074808641257492
Energy: 1.8048358758652874
Energy: 1.9850915140006875
Energy: 1.8009514438611232
Energy: 1.8037477138516058
Energy: 1.8009514438617746
Energy: 1.8021573055031483
Energy: 1.802391815905921
Energy: 2.205919232677716
Energy: 1.8023918159091783
Energy: 1.7995469813136822
Energy: 1.7984252425324792
Energy: 2.426987194570365
Energy: 1.7984252425318277
Energy: 1.8047456029309885
Energy: 1.8038798742128215
Energy: 2.1318700236151655
Energy: 1.8038798742102156
Energy: 1.8027603836691373
Energy: 1.7995517970099366
Energy: 1.9995190732544041
Energy: 1.7995517970079822
Energy: 2.141450063800483
Energy: 1.8028744186221042
Energy: 2.09679882053655
Energy: 1.8028744186253616
Energy: 2.1381125132311034
Energy: 2.1946094054902336
Energy: 2.42662999473535
Energy: 2.1946094054889898
Energy: 2.127365058442907
Energy: 1.8895686858771314
Energy: 2.4357901746595423
Energy: 1.8895686858797371
Energy: 2.221183880793895
Energy: 1.766243618248936
Energy: 2.093587580998566
Energy: 1.7662436182495875
Energy: 2.2018685077760756
Energy: 1.7659775900102925
Energy: 1.7662902125058935
Energy: 1.7659775900096408
Energy: 2.129154486646324
Energy: 1.7654207727222602
Energy: 1.7658911563947233
Energy: 1.7654207727255176
Energy: 1.981121748006
Energy: 1.7656517789083344
Energy: 1.7681207780915331
Energy: 1.7656517789005164
Energy: 1.8409282693785838
Energy: 1.7658522825495806
Energy: 2.4269806773469855
Energy: 1.7658522825495806
Energy: 2.1356359190436165
Energy: 1.8916611113219792
Energy: 2.1400455966073992
Energy: 1.891661111322631
Energy: 1.831326849320191
Energy: 1.799068927648524
Energy: 2.418720070990971
Energy: 1.7990689276498273
Energy: 2.12666501958831
Energy: 1.7985402185557813
Energy: 2.209946334885242
Energy: 1.7985402185557813
Energy: 1.799526368351888
Energy: 1.7989866639428136
Energy: 2.212639222351915
Energy: 1.7989866639428136
Energy: 1.7995991688621227
Energy: 1.7983576080958075
Energy: 2.126596712489304
Energy: 1.798357608099065
Energy: 1.8073237067474128
Energy: 1.8072267938040065
Energy: 2.413685417843441
Energy: 1.807226793798143
Energy: 2.133830403859177
Energy: 1.8508693415938886
Energy: 1.7688686791570059
Energy: 1.8508693415906312
Energy: 2.2065213266706714
Energy: 1.8005174297468123
Energy: 1.8034441139486874
Energy: 1.8005174297468123
Energy: 2.4232274536706186
Energy: 1.798214306095393
Energy: 1.7984225690905191
Energy: 1.7982143060947415
Energy: 2.426027292965062
Energy: 1.800506034869408
Energy: 1.8027036658517768
Energy: 1.8005060348681048

minimum gb energy = 1.7653243179766067 eV
minimum distance =  2.25269336071858 Angstroms
sigma value = 89


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

Energy: 3.844023338513861
Energy: 1.632002435319911
Energy: 1.6453582820160457
Energy: 1.632002435319911
Energy: 1.6374634109892365
Energy: 1.7879417610821904
Energy: 1.6493532004154636
Energy: 1.7879417610838948
Energy: 1.6378197305646969
Energy: 1.7866629501634579
Energy: 1.6447104952636598
Energy: 1.7866629501651623
Energy: 1.632759040041611
Energy: 1.781733248370359
Energy: 1.6386342485134036
Energy: 1.7817332483720636
Energy: 1.6375843538492187
Energy: 1.639702661661532
Energy: 1.635395934525711
Energy: 1.639702661661532
Energy: 1.6379927836790995
Energy: 1.6385824812612182
Energy: 1.6423922764442624
Energy: 1.6385824812595131
Energy: 1.6368392826590727
Energy: 1.6365216827297586
Energy: 1.6404789136607705
Energy: 1.636521682728054
Energy: 1.6371455092977862
Energy: 1.637933343730305
Energy: 1.6330328130015728
Energy: 1.637933343730305
Energy: 1.6445165972126217
Energy: 1.6359671823894744
Energy: 1.646199615460498
Energy: 1.635967182391179
Energy: 1.643609224375486
Energy: 1.78065817077724
Energy: 1.644150673049293
Energy: 1.78065817077724
Energy: 1.6406935565897398
Energy: 1.7790836306734081
Energy: 1.6296713895638433
Energy: 1.7790836306717033
Energy: 1.6343866793371369
Energy: 1.6363960676927019
Energy: 1.641316861613029
Energy: 1.6363960676927019
Energy: 1.6347141515616121
Energy: 1.639040134653691
Energy: 1.6377992926320069
Energy: 1.639040134653691
Energy: 1.6395225790403758
Energy: 1.6353601923360344
Energy: 1.6351421826944212
Energy: 1.6353601923360344
Energy: 1.644593111143422
Energy: 1.640022116686026
Energy: 1.6384621313637273
Energy: 1.640022116687731

minimum gb energy = 1.6296713895638433 eV
minimum distance =  2.26904927821169 Angstroms
sigma value = 13


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

Energy: 3.3383646238163305
Energy: 1.4865129705737643
Energy: 1.9469736773102846
Energy: 1.4865129705644764
Energy: 1.5116001812690314
Energy: 1.5004002869128275
Energy: 1.873779889370072
Energy: 1.500400286912113
Energy: 1.5114474676033753
Energy: 1.4992940701881614
Energy: 1.8752446920850088
Energy: 1.4992940701881614
Energy: 2.2190663413181344
Energy: 1.4977810532518603
Energy: 1.8720138756843363
Energy: 1.4977810532575764
Energy: 1.8767150028147017
Energy: 1.4977448050687996
Energy: 1.8764807204483633
Energy: 1.4977448050745157
Energy: 1.8738514070931203
Energy: 1.5028508241083482
Energy: 1.8711944800831386
Energy: 1.5028508241147784
Energy: 1.8748878752815046
Energy: 1.499785711689756
Energy: 1.869441216063867
Energy: 1.49978571168404
Energy: 1.874314373090187
Energy: 1.5008440130502807
Energy: 1.8717029697905014
Energy: 1.5008440130459937
Energy: 1.4985007634992489
Energy: 1.4974478526420316
Energy: 1.8765741785939405
Energy: 1.4974478526406028
Energy: 1.4983127407331451
Energy: 1.4979049774615418
Energy: 1.8765923378990892
Energy: 1.4979049774579696
Energy: 1.5010893692078169
Energy: 1.4977761089278034
Energy: 1.511091969803822
Energy: 1.4977761089220876
Energy: 1.8717116919822157
Energy: 1.5826318952865202
Energy: 1.8747763295264803
Energy: 1.5826318952879488
Energy: 1.879046616392887
Energy: 1.5795529535667976
Energy: 1.8690794528517076
Energy: 1.579552953567512
Energy: 1.872097533049014
Energy: 1.5800218791190155
Energy: 2.239121200646081
Energy: 1.58002187911973
Energy: 1.8729369334578625
Energy: 1.4985010448671947
Energy: 1.873908390358399
Energy: 1.4985010448679092
Energy: 1.8813433204678789
Energy: 1.5041253071722491
Energy: 1.504715355595543
Energy: 1.504125307173678
Energy: 1.8687141870563502
Energy: 1.4998920343538154
Energy: 1.503266470679972
Energy: 1.4998920343602455
Energy: 1.5221730199874661
Energy: 1.5010713570875795
Energy: 1.5038912110699165
Energy: 1.5010713570947243
Energy: 2.218711988620488
Energy: 1.4978223083947928
Energy: 1.8679745860935104
Energy: 1.497822308391935
Energy: 1.876416166814926
Energy: 1.4983964791419329
Energy: 1.878289635448242
Energy: 1.4983964791455051
Energy: 2.4174567362215953
Energy: 1.4979716535160248
Energy: 1.868215090324148
Energy: 1.4979716535095944
Energy: 1.8742282377633834
Energy: 1.4996427783712785
Energy: 1.870183134404077
Energy: 1.4996427783691348
Energy: 1.86882195755177
Energy: 1.4984095980129644
Energy: 1.8776643246330247
Energy: 1.4984095980193948
Energy: 1.510726735074582
Energy: 1.4981310822457878
Energy: 1.8732774519794049
Energy: 1.4981310822479312
Energy: 1.870008221396246
Energy: 1.4986166517398316
Energy: 1.8727580154509265
Energy: 1.498616651741975
Energy: 1.4991155272988437
Energy: 1.4984512747971837
Energy: 1.879350419638656
Energy: 1.4984512747986125
Energy: 1.4981205979124204
Energy: 1.497789738244347
Energy: 1.8735655791124812
Energy: 1.4977897382564929
Energy: 1.4998920445484945
Energy: 1.497350911959923
Energy: 1.521938338163847
Energy: 1.4973509119656387
Energy: 1.8679444619748744
Energy: 1.4993166790392698
Energy: 2.219608674796019
Energy: 1.4993166790392698
Energy: 1.8776459140233699
Energy: 1.5798531617414706
Energy: 1.8675318736982367
Energy: 1.5798531617407559
Energy: 1.873622904677481
Energy: 1.5814054694063044
Energy: 2.221970426219787
Energy: 1.581405469397016
Energy: 1.8804152788249044
Energy: 1.501795506140579
Energy: 1.8675745356287408
Energy: 1.501795506137721
Energy: 1.8736352075121137
Energy: 1.4978681115783594
Energy: 1.4998659929812563
Energy: 1.4978681115697856
Energy: 2.208358720802531
Energy: 1.4981734271429803
Energy: 1.4992527669476226
Energy: 1.4981734271436948
Energy: 2.2199439354397184
Energy: 1.4988537536117712
Energy: 1.500367545676434
Energy: 1.4988537536081987

minimum gb energy = 1.4865129705644764 eV
minimum distance =  2.26827979079341 Angstroms
sigma value = 37


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

Energy: 3.3101531941009292
Energy: 1.3553710391169445
Energy: 1.3736428458275547
Energy: 1.355371039119403
Energy: 1.6724673470117133
Energy: 1.3732507045099376
Energy: 1.375364817280314
Energy: 1.3732507045111668
Energy: 1.6743155545071444
Energy: 1.3726241554592038
Energy: 1.377956583793931
Energy: 1.3726241554579746
Energy: 1.6954494845686008
Energy: 1.5290103146765337
Energy: 1.3858567487473263
Energy: 1.5290103146765337
Energy: 1.9929414922485646
Energy: 1.3448090182555918
Energy: 1.6805438983442362
Energy: 1.3448090182543626
Energy: 1.9969785556864894
Energy: 1.3465174708148562
Energy: 1.6714310874870781
Energy: 1.3465174708148562
Energy: 1.6774513674952272
Energy: 1.3487278561203757
Energy: 1.354583915180704
Energy: 1.3487278561203757
Energy: 1.6809439943943962
Energy: 1.353947366730045
Energy: 1.6841633709464576
Energy: 1.353947366730045
Energy: 1.6736982527189632
Energy: 1.3438587259039367
Energy: 1.6822216073503649
Energy: 1.3438587259039367
Energy: 1.6719454525251767
Energy: 1.3448679825623557
Energy: 1.3515913659818823
Energy: 1.3448679825623557
Energy: 1.6901299038946267
Energy: 1.6890400386551783
Energy: 2.9133328762865043
Energy: 1.6890400386539492
Energy: 1.6756408711759143
Energy: 1.344384016374069
Energy: 1.3509801811623157
Energy: 1.34438401637284
Energy: 1.6763513443845972
Energy: 1.3436054829783233
Energy: 1.6862969575007867
Energy: 1.3436054829770938
Energy: 1.6837840481000432
Energy: 1.5092966967211474
Energy: 1.6943545104780748
Energy: 1.5092966967199182
Energy: 1.6805438983454657
Energy: 1.5039060763353411
Energy: 1.3560823839909883
Energy: 1.5039060763353411
Energy: 1.6714310874858487
Energy: 1.5040793198668814
Energy: 1.3477047156350483
Energy: 1.5040793198681104
Energy: 1.9933190282864035
Energy: 1.5040536348349867
Energy: 1.677257749629228
Energy: 1.5040536348374451
Energy: 1.684163370948916
Energy: 1.376398732419286
Energy: 1.3841128726254035
Energy: 1.376398732419286
Energy: 1.6822216073503649
Energy: 1.3725531846374868
Energy: 1.374411693805319
Energy: 1.3725531846362578
Energy: 1.992764754586183
Energy: 1.3738822363009533
Energy: 1.3727120274055173
Energy: 1.3738822363021825

minimum gb energy = 1.3436054829770938 eV
minimum distance =  2.26335343163735 Angstroms
sigma value = 25


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

Energy: 2.279151864387348
Energy: 1.163952021991405
Energy: 1.647940708634413
Energy: 1.163952021992365
Energy: 2.171616680800664
Energy: 1.1610031617589192
Energy: 1.6682965499100517
Energy: 1.1610031617579593
Energy: 2.169132527251135
Energy: 1.163882870152038
Energy: 1.6721936671073425
Energy: 1.1638828701510782
Energy: 2.1697209621529816
Energy: 1.1638822592599294
Energy: 1.6710147165348699
Energy: 1.1638822592599294
Energy: 2.180674229776118
Energy: 1.2920013715966225
Energy: 2.181489141577034
Energy: 1.2920013715966225
Energy: 2.173813518759359
Energy: 1.2891576530383377
Energy: 2.184069271184019
Energy: 1.2891576530383377
Energy: 2.17815240902014
Energy: 1.2921492930406129
Energy: 2.1808448199964614
Energy: 1.2921492930386935
Energy: 1.6708012595912072
Energy: 1.1628796811621833
Energy: 2.1786106032672605
Energy: 1.162879681164103
Energy: 1.6743605528661576
Energy: 1.1625523195444474
Energy: 2.185168547606237
Energy: 1.1625523195434875
Energy: 1.6685757710641154
Energy: 1.1612598307884536
Energy: 2.1847284346716322
Energy: 1.1612598307865336
Energy: 1.169068803575025
Energy: 1.1641868548371905
Energy: 2.9892573514537264
Energy: 1.16418685483815
Energy: 1.1615179226990109
Energy: 1.1615252008351058
Energy: 2.184103966199435
Energy: 1.1615252008341461
Energy: 1.1642841799575592
Energy: 1.1634403205685695
Energy: 2.1706685140293183
Energy: 1.1634403205685695
Energy: 1.1652885228236944
Energy: 1.1630885899099164
Energy: 2.169161377636475
Energy: 1.1630885899089567
Energy: 1.674600412980768
Energy: 1.161598472779736
Energy: 2.1816281391516483
Energy: 1.161598472779736
Energy: 1.6679516648704915
Energy: 1.1611712176833715
Energy: 2.1695609632851203
Energy: 1.1611712176833715
Energy: 2.1814499328588672
Energy: 1.1634753295725198
Energy: 2.169198219581459
Energy: 1.1634753295734797
Energy: 1.6754323147754666
Energy: 1.288105141406637
Energy: 2.179528577856308
Energy: 1.288105141406637
Energy: 2.186129850128952
Energy: 1.290628455876447
Energy: 2.176229413656244
Energy: 1.290628455877407
Energy: 2.183928262897637
Energy: 1.2900358904098763
Energy: 2.175388253663301
Energy: 1.2900358904117961
Energy: 2.180322143014906
Energy: 1.1653422593778628
Energy: 1.6743610755589489
Energy: 1.1653422593778628
Energy: 2.183261718505398
Energy: 1.1606529586898586
Energy: 1.1631279182642915
Energy: 1.1606529586888987
Energy: 2.183177052694916
Energy: 1.163425754630911
Energy: 1.6668490187961227
Energy: 1.1634257546299511
Energy: 2.182772094614067
Energy: 1.1633084203333075
Energy: 1.165051496359025
Energy: 1.1633084203323478
Energy: 2.1812885392756174
Energy: 1.161686077553232
Energy: 1.1631447006115565
Energy: 1.161686077554192
Energy: 2.169479678856079
Energy: 1.1618706863269914
Energy: 1.1628753861208736
Energy: 1.1618706863269914

minimum gb energy = 1.1606529586888987 eV
minimum distance =  2.27806929987563 Angstroms
sigma value = 41


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

Energy: 2.7382974286412654
Energy: 1.0320337839604532
Energy: 1.5298572225174856
Energy: 1.0320337839612401
Energy: 2.659991730868547
Energy: 1.0311570911026913
Energy: 1.4575430755233336
Energy: 1.0311570911026913
Energy: 2.6586164613071137
Energy: 1.029474868969072
Energy: 1.4607684744802494
Energy: 1.029474868969859
Energy: 2.6570259961380653
Energy: 1.032753015262211
Energy: 1.8958951997383637
Energy: 1.0327530152606372
Energy: 2.666962061732708
Energy: 1.02876894935069
Energy: 2.279961447585092
Energy: 1.0287689493491161
Energy: 2.6658010610402014
Energy: 1.0339215505910715
Energy: 2.274832512145312
Energy: 1.033921550583202
Energy: 2.671511596955871
Energy: 1.1393261395039553
Energy: 2.6666091409628065
Energy: 1.1393261395078902
Energy: 2.2821586929414
Energy: 1.135701326493535
Energy: 2.2842623732106224
Energy: 1.1357013264927482
Energy: 1.8853195272524867
Energy: 1.030363614116108
Energy: 2.672528064602392
Energy: 1.0303636141184687
Energy: 1.8833251475419066
Energy: 1.0292809615268068
Energy: 2.6707260143468368
Energy: 1.0292809615299545
Energy: 1.4627684905230465
Energy: 1.031104353996841
Energy: 2.662723216505729
Energy: 1.031104353996841
Energy: 1.4613483203429827
Energy: 1.0299891035733688
Energy: 2.6699346851810146
Energy: 1.0299891035717947
Energy: 1.4568507438184066
Energy: 1.02974375521141
Energy: 2.6714947943752843
Energy: 1.0297437552098359
Energy: 1.035596436501674
Energy: 1.030591652447292
Energy: 2.662223918515531
Energy: 1.0305916524465053
Energy: 1.0331632944951157
Energy: 1.0315818246526722
Energy: 2.667224712320027
Energy: 1.0315818246526722
Energy: 1.0332914720696256
Energy: 1.0307054873818113
Energy: 2.6590011128051843
Energy: 1.0307054873810244
Energy: 1.4604690683845833
Energy: 1.0303667809612442
Energy: 2.6575400627815213
Energy: 1.030366780960457
Energy: 1.462548167641515
Energy: 1.0303307015147973
Energy: 2.666616096565229
Energy: 1.0303307015132237
Energy: 1.460320444022126
Energy: 1.0305510982438495
Energy: 2.668272655540306
Energy: 1.0305510982430626
Energy: 2.273058414993205
Energy: 1.030908476271438
Energy: 2.6657338351607156
Energy: 1.0309084762698644
Energy: 2.2721345792669903
Energy: 1.0309927665064536
Energy: 2.6657405734125015
Energy: 1.0309927665072405
Energy: 2.274144489905414
Energy: 1.1346691891711083
Energy: 2.6742864245380087
Energy: 1.1346691891695346
Energy: 2.6735609819929924
Energy: 1.135323896435948
Energy: 2.6621522281741665
Energy: 1.1353238964375223
Energy: 2.28305752675431
Energy: 1.1357722592729806
Energy: 2.273108489092443
Energy: 1.135772259267472
Energy: 2.6667943674309953
Energy: 1.0298384617810452
Energy: 1.8933416227416662
Energy: 1.0298384617802583
Energy: 2.6685606469230105
Energy: 1.0302425612076862
Energy: 2.271704266746226
Energy: 1.0302425612068993
Energy: 2.662665488513918
Energy: 1.0301606901682294
Energy: 1.459148423149649
Energy: 1.0301606901674425
Energy: 2.6654950012810814
Energy: 1.0321379953661276
Energy: 1.4629607129064495
Energy: 1.0321379953661276
Energy: 2.662946828585156
Energy: 1.0302724682426085
Energy: 1.4600347964499918
Energy: 1.0302724682426085
Energy: 2.6632216556193216
Energy: 1.0318151956595358
Energy: 1.0338597834006946
Energy: 1.031815195658749
Energy: 2.6683257677380268
Energy: 1.0311142206818618
Energy: 1.0325527953055338
Energy: 1.0311142206810748
Energy: 2.657500510771759
Energy: 1.032510157861265
Energy: 1.0355454045497183
Energy: 1.0325101578628388

minimum gb energy = 1.0287689493491161 eV
minimum distance =  2.28022717342416 Angstroms
sigma value = 15


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

Energy: 3.0202557176474705
Energy: 0.9337262361961134
Energy: 1.4453108924311397
Energy: 0.9337262361961134
Energy: 2.997262248756347
Energy: 0.9316569665897165
Energy: 1.2985154045082667
Energy: 0.93165696658905
Energy: 3.0161170626995553
Energy: 0.9314990921027734
Energy: 1.298856821392348
Energy: 0.9314990921021067
Energy: 3.0139850691861674
Energy: 0.9311681848213957
Energy: 2.0131740894319416
Energy: 0.9311681848187291
Energy: 3.003598403334169
Energy: 0.9295132053702326
Energy: 2.008943089621598
Energy: 0.92951320536896
Energy: 3.005272163819293
Energy: 0.9311867366594792
Energy: 2.002014348701192
Energy: 0.9311867366628124
Energy: 2.345332270516783
Energy: 0.9316543675622295
Energy: 2.669598365711697
Energy: 0.9316543675755625
Energy: 2.6746893063712824
Energy: 1.0269056093269946
Energy: 2.0132308878069347
Energy: 1.0269056093303277
Energy: 2.344051160471689
Energy: 1.0209330545728026
Energy: 2.668473816516502
Energy: 1.0209330545741357
Energy: 2.3412689809076133
Energy: 1.0206513105283657
Energy: 3.0068382745414497
Energy: 1.0206513105310326
Energy: 2.011267278766335
Energy: 0.9309019360713525
Energy: 2.687288820629741
Energy: 0.9309019360693527
Energy: 1.6691880154802758
Energy: 0.9294054603060372
Energy: 3.008522490441833
Energy: 0.9294054603087039
Energy: 2.003772006508415
Energy: 0.9298715803270377
Energy: 3.011391853452838
Energy: 0.929871580326371
Energy: 1.3032877388005082
Energy: 0.9316832627832033
Energy: 2.6820785542780463
Energy: 0.9316832627845366
Energy: 1.3057906094987295
Energy: 0.9304714603092532
Energy: 3.0056512687052455
Energy: 0.9304714603085864
Energy: 1.3047913929845008
Energy: 0.9333852712179561
Energy: 3.0136583911349946
Energy: 0.9333852712172895
Energy: 0.9359664369043253
Energy: 0.9316856904313139
Energy: 3.005000151274515
Energy: 0.9316856904306473
Energy: 0.9323836775825497
Energy: 0.930284938277523
Energy: 3.004715260386062
Energy: 0.9302849382755232
Energy: 0.9344869721627856
Energy: 0.9316110418723551
Energy: 3.0064949285659117
Energy: 0.9316110418756883
Energy: 1.3041961761248206
Energy: 0.930829316981006
Energy: 2.9948193726193106
Energy: 0.9308293169803394
Energy: 1.3037353866193007
Energy: 0.9305527884161221
Energy: 3.0045878662342216
Energy: 0.9305527884167887
Energy: 1.3022543838321088
Energy: 0.931203973959572
Energy: 3.0126701371462157
Energy: 0.9312039739609053
Energy: 2.0016426513873116
Energy: 0.9307890200172998
Energy: 2.999962341876845
Energy: 0.9307890200292995
Energy: 2.010784717175224
Energy: 0.9295719575094366
Energy: 3.007542266495841
Energy: 0.92957195750877
Energy: 2.012226909441881
Energy: 0.9357238567002357
Energy: 2.352713323050803
Energy: 0.9357238567029023
Energy: 2.6743282397505426
Energy: 1.0204300348390765
Energy: 3.007561947338481
Energy: 1.0204300348357433
Energy: 2.0066916298020483
Energy: 1.0213818812134061
Energy: 2.670444471943928
Energy: 1.0213818812120727
Energy: 2.676126779501098
Energy: 1.027499559666773
Energy: 2.352545354360451
Energy: 1.02749955966544
Energy: 2.676179684668328
Energy: 0.9310015374585547
Energy: 2.6713326983014616
Energy: 0.9310015374592215
Energy: 2.6731890136796213
Energy: 0.9320784373910244
Energy: 2.0040937911883527
Energy: 0.9320784373903578
Energy: 3.004835256595703
Energy: 0.9293092287273146
Energy: 1.6689927267837597
Energy: 0.9293092287259813
Energy: 2.680861240371729
Energy: 0.9345062888866206
Energy: 2.0113257490227237
Energy: 0.9345062888866206
Energy: 3.013243002805557
Energy: 0.9314504767169061
Energy: 1.300185646005384
Energy: 0.9314504767175728
Energy: 3.00653946579984
Energy: 0.9313351893536462
Energy: 1.299977539819071
Energy: 0.9313351893523129
Energy: 2.9972677922913977
Energy: 0.9312574941563166
Energy: 0.9392408986338777
Energy: 0.9312574941549834
Energy: 3.0049759844906263
Energy: 0.9314037561709586
Energy: 0.9334234501552845
Energy: 0.931403756172292
Energy: 3.01146407643242
Energy: 0.9321013016598838
Energy: 0.9342995407378979
Energy: 0.9321013016572173

minimum gb energy = 0.9293092287259813 eV
minimum distance =  2.283333509909 Angstroms
sigma value = 85


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

Energy: 3.409977537446095
Energy: 0.40661134801201804
Energy: 1.1224015286976368
Energy: 0.4066113480079707
Energy: 3.2322645393036957
Energy: 0.8279345340440957
Energy: 1.1541515497018269
Energy: 0.8279345340469866
Energy: 3.230463747893632
Energy: 0.8276163804431538
Energy: 1.1547092339555112
Energy: 0.8276163804425755
Energy: 2.792687285743695
Energy: 0.82986871176156
Energy: 1.777592921419648
Energy: 0.829868711758669
Energy: 3.2325809431784087
Energy: 0.8267978708363768
Energy: 1.7814809566314722
Energy: 0.8267978708334858
Energy: 2.8005771301461606
Energy: 0.8291916788082798
Energy: 1.7774260840525957
Energy: 0.8291916788129053
Energy: 2.795556126694054
Energy: 0.8286637242493242
Energy: 2.3699345861381005
Energy: 0.8286637242470115
Energy: 2.9519833288748885
Energy: 0.8276826124717915
Energy: 1.9193616562955722
Energy: 0.8276826124584933
Energy: 2.798466489845653
Energy: 0.8273971075609509
Energy: 2.3659968168287477
Energy: 0.8273971075996631
Energy: 2.798507182530816
Energy: 0.99716232211839
Energy: 2.9412125467546537
Energy: 0.997162322121281
Energy: 2.3749571164308305
Energy: 0.8248918621745381
Energy: 2.5083352818806217
Energy: 0.8248918621918837
Energy: 2.217056533066025
Energy: 0.8245628401989185
Energy: 2.9409968521316614
Energy: 0.8245628401954492
Energy: 2.368015667892714
Energy: 0.8249788745277642
Energy: 3.0861738077902827
Energy: 0.8249788745266077
Energy: 1.7858433676760477
Energy: 0.8250748199691441
Energy: 2.5049772833841115
Energy: 0.8250748199645186
Energy: 1.6329281527571577
Energy: 0.825532529408981
Energy: 3.095181536559205
Energy: 0.8255325294078246
Energy: 1.7813712633313423
Energy: 0.8243705147969776
Energy: 3.079626948623101
Energy: 0.8243705147987123
Energy: 1.1481479484900121
Energy: 0.8251839718683522
Energy: 3.0797692346402825
Energy: 0.8251839718654613
Energy: 1.146019820492336
Energy: 0.822896084491823
Energy: 3.2278159511450664
Energy: 0.8228960844906668
Energy: 1.1467191945832627
Energy: 0.8240961511007882
Energy: 3.225592585072024
Energy: 0.8240961511042572
Energy: 0.9896067845204817
Energy: 0.8232370798086799
Energy: 3.225724304878607
Energy: 0.8232370798075235
Energy: 0.9895134029865146
Energy: 0.8225832509186651
Energy: 3.22585538535708
Energy: 0.8225832509169306
Energy: 0.9915448019276242
Energy: 0.8247824176956329
Energy: 3.22017594504149
Energy: 0.8247824177002583
Energy: 1.3168382141922383
Energy: 0.823700319349641
Energy: 3.222785058735466
Energy: 0.8237003193519539
Energy: 1.3177306506902842
Energy: 0.8226110961031825
Energy: 3.224297439510896
Energy: 0.8226110961049171
Energy: 1.3152754566026572
Energy: 0.8292945009438293
Energy: 2.7926794599569207
Energy: 0.8292945009467203
Energy: 1.765500954549315
Energy: 0.8232810360560006
Energy: 3.2299341173928138
Energy: 0.8232810360565788
Energy: 1.76797820749244
Energy: 0.8227193216599944
Energy: 3.233339725506475
Energy: 0.8227193216599944
Energy: 1.766856533103158
Energy: 0.826148241205232
Energy: 2.7958578730196466
Energy: 0.8261482412058101
Energy: 2.375466409492912
Energy: 0.8242425592348414
Energy: 3.224769992142514
Energy: 0.8242425592348414
Energy: 2.3708491545072583
Energy: 0.8227346818553946
Energy: 2.8017490972988743
Energy: 0.822734681856551
Energy: 2.6634792589756877
Energy: 0.9946018959100882
Energy: 2.213065710057524
Energy: 0.9946018959095101
Energy: 2.508187975060395
Energy: 0.9961024424964874
Energy: 2.8090977800336767
Energy: 0.99610244249244
Energy: 2.9474933402155425
Energy: 1.1562053424889045
Energy: 2.220300729930333
Energy: 1.1562053424917955
Energy: 3.2354952313833856
Energy: 0.8269181623678455
Energy: 2.2224628942765676
Energy: 0.8269181623643762
Energy: 2.504534069377368
Energy: 0.8301589301140243
Energy: 1.7768642880229262
Energy: 0.8301589301157589
Energy: 3.2305770798903044
Energy: 0.8269707305883204
Energy: 1.7798571888756374
Energy: 0.8269707305894767
Energy: 3.2289019809205692
Energy: 0.8290600418918117
Energy: 1.7766558086273043
Energy: 0.8290600418889208
Energy: 3.079911504520523
Energy: 0.8311688744380089
Energy: 1.157868360472166
Energy: 0.8311688744420563
Energy: 3.2349888468584718
Energy: 0.8270987569901986
Energy: 1.156434591844522
Energy: 0.8270987569890421
Energy: 3.2257479456490934
Energy: 0.8292809951867027
Energy: 1.1579108614449904
Energy: 0.8292809951872809
Energy: 3.076909095973844
Energy: 0.8296166872993123
Energy: 0.830143700954909
Energy: 0.8296166872987342
Energy: 3.2320874825437085
Energy: 0.827148918705861
Energy: 0.8278817572563767
Energy: 0.8271489187047046
Energy: 3.2295312612981357
Energy: 0.8293913748208498
Energy: 0.8296434279195302
Energy: 0.8293913748202716

minimum gb energy = 0.4066113480079707 eV
minimum distance =  2.27380389160532 Angstroms
sigma value = 113


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

Energy: 0.018184065658056716
Energy: 0.01923839392331691
Energy: 2.8904234065171592
Energy: 0.019238393921143897
Energy: 0.01920694128327545
Energy: 0.18990561341064624
Energy: 2.3107109800144614
Energy: 0.1899056134115352
Energy: 0.01924043966693119
Energy: 0.1874786297561903
Energy: 2.308818256379843
Energy: 0.1874786297566348
Energy: 0.020715907818404967
Energy: 0.18922320667854825
Energy: 2.312775702071418
Energy: 0.18922320667854825
Energy: 2.308882942410856
Energy: 0.1877850564686277
Energy: 2.315668026694809
Energy: 0.1877850564686277
Energy: 0.018994744643827007
Energy: 0.18737288233815852
Energy: 2.3083670617870204
Energy: 0.18737288233899807

minimum gb energy = 0.018184065658056716 eV
minimum distance =  2.51741048554028 Angstroms
sigma value = 1