Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.302443556487561
cohesive_energy=7.470587473106058
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.7920170894737597e-19, 3.95205705955512e-19, 5.75945649860418e-19, 6.653711386871279e-19, 7.40809625499018e-19, 8.05587228988272e-19, 8.618364462547439e-19, 9.110248710951778e-19, 9.542259618543539e-19, 9.9225202208571e-19, 1.0257343093830418e-18, 1.055183918092596e-18, 1.08101260760931e-18, 1.1035680502627618e-18, 1.1231370356704378e-18, 1.1399662990339738e-18, 1.1542721341989598e-18, 1.166238791478306e-18, 1.1760280907120459e-18, 1.183782625620606e-18, 1.1896321725113398e-18, 1.193688883748628e-18, 1.1960569008136799e-18, 1.1968259455979998e-18, 1.195999222454856e-18, 1.193331598359246e-18, 1.1885154553974418e-18, 1.1811502494109439e-18, 1.170779360059062e-18, 1.15686766034604e-18, 1.138767870911742e-18, 1.115693323028874e-18, 1.0866971303067419e-18, 1.0506145103324278e-18, 1.00602273025494e-18, 9.511577936002438e-19, 8.838247183797599e-19, 8.012613520764719e-19, 6.999637343918219e-19, 5.754409642207079e-19, 4.2187073167517397e-19, 2.31601041151236e-19, -5.556717067337819e-21, -3.03400984827312e-19, -6.80945897746242e-19, -1.16497467411408e-18, -1.7941173947532e-18, -2.6257111548645598e-18, -3.74768340812208e-18, -5.300513001794879e-18, -7.519912162277039e-18, -1.0826692582488659e-17, -1.60349041883988e-17, -2.48999077219842e-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: 0.017263033420107
Energy: 0.2853358481223885
Energy: 0.28371995659892946
Energy: 0.28396164186006495
Energy: 0.28374273711763054
Energy: 0.017816724620549482
Energy: 0.28533584812167867
Energy: 1.510516355281638
Energy: 0.2838168004287508
Energy: 0.28374453840187647
Energy: 0.28388452656525337
Energy: 0.2837515691649326
Energy: 0.28371995659892946
Energy: 0.28381680042912655
Energy: 1.5125171110067872
Energy: 0.01773919606834064
Energy: 0.283822897419952
Energy: 0.283835807705125
Energy: 0.28396164186081646
Energy: 0.2837445384015007
Energy: 0.017739196067964865
Energy: 0.01745344123771187
Energy: 0.28483477146279035
Energy: 0.2838021119710717
Energy: 0.28374273711729653
Energy: 0.28388452656525337
Energy: 0.2838228974195762
Energy: 0.2848347714617048
Energy: 1.5100055549929534
Energy: 0.283803197963937
Energy: 0.017816724620549482
Energy: 0.28375156916530836
Energy: 0.2838358077047492
Energy: 0.2838021119710717
Energy: 0.28380319796431275
Energy: 0.018157172586542793

minimum gb energy = 0.017263033420107 eV
minimum distance =  2.85725503602733 Angstroms
sigma value = 1


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

Energy: 2.799817882107066
Energy: 1.6976056418488705
Energy: 1.6974831163873065
Energy: 1.7205627776376147
Energy: 1.6974060105459765
Energy: 1.6605647496942957
Energy: 1.7438141629163333
Energy: 1.7228012649814533
Energy: 1.6897580611982315
Energy: 1.684149614153229
Energy: 1.689860264704952
Energy: 1.6866954945546637
Energy: 1.7779124164551687
Energy: 1.6871434840741346
Energy: 1.7274067317017534
Energy: 1.690357708489383
Energy: 1.6871847321412756
Energy: 1.6872635388258244
Energy: 1.7253610462677194
Energy: 1.684133034202577
Energy: 1.6777989176253538
Energy: 1.700912007948397
Energy: 1.683961669683418
Energy: 1.6745504792275134
Energy: 1.7738009724460235
Energy: 1.684402416372781
Energy: 1.685552874757792
Energy: 1.6085628633351252
Energy: 1.704315993351817
Energy: 1.6846258898313498
Energy: 1.7458870908443336
Energy: 1.7033877488451954
Energy: 1.7090588393982769
Energy: 1.684253167620381
Energy: 1.7083262493547688
Energy: 1.7038178515949496
Energy: 1.7443405988534193
Energy: 1.704464727006828
Energy: 1.7061771595002382
Energy: 1.7750605922606348
Energy: 1.7061117661235792
Energy: 1.7048205064081072
Energy: 1.7498113673343287
Energy: 1.6432161874194153
Energy: 1.641192124970021
Energy: 1.621671866564161
Energy: 1.70460104689908
Energy: 1.678447435944387
Energy: 1.6413441768129744
Energy: 1.7301291046045322
Energy: 1.732054821736787
Energy: 1.6069642915635487
Energy: 1.7312957858594893
Energy: 1.6705088758790838
Energy: 1.6401456712574942
Energy: 1.7292659890389785
Energy: 1.731313698363912
Energy: 1.6075115867486962
Energy: 1.729746313963607
Energy: 1.6921772965828417
Energy: 1.7488205734855342
Energy: 1.6456926048571232
Energy: 1.6048361931649249
Energy: 1.6060481636143116
Energy: 1.6056975048046935
Energy: 1.6415063176409046
Energy: 1.7443360960439176
Energy: 1.6430145337843631
Energy: 1.6417481458379666
Energy: 1.7138852139401057
Energy: 1.641765296912243
Energy: 1.6439928737941325
Energy: 1.7437849516780715
Energy: 1.6441900725023182
Energy: 1.6417192192528376
Energy: 1.713719037905808
Energy: 1.6419017612852
Energy: 1.6440650443594003
Energy: 1.7803156771105342
Energy: 1.6467604243585743
Energy: 1.6050723978310009
Energy: 1.6058161012214127
Energy: 1.605690061427763
Energy: 1.6452901082886098
Energy: 1.6958096545225039
Energy: 1.6969424041639773
Energy: 1.6969558084213756
Energy: 1.6083474084277163
Energy: 1.6966455909347857
Energy: 1.6775631406736335
Energy: 1.6933267670743217
Energy: 1.699064158659745
Energy: 1.6973060793170993
Energy: 1.614032854926842
Energy: 1.6973571609586675
Energy: 1.6854222538077082
Energy: 1.7490046737519191
Energy: 1.6437219793575728
Energy: 1.6152791351947275
Energy: 1.6212596688966883
Energy: 1.7052655269844517
Energy: 1.6881084812641558
Energy: 1.7478683468831144
Energy: 1.7077537301046086
Energy: 1.7059369596537348
Energy: 1.7050868009379905
Energy: 1.7066649141952641
Energy: 1.7064966328960254
Energy: 1.7440079833329285
Energy: 1.705570331889093
Energy: 1.7466990498580095
Energy: 1.703435233000363
Energy: 1.706002422691203
Energy: 1.7043792590795606
Energy: 1.7770430002699746
Energy: 1.714139875268146
Energy: 1.6559502014226257
Energy: 1.606941391097569
Energy: 1.7322338554786194
Energy: 1.6826537158815273
Energy: 1.73391042285974
Energy: 1.7134127417417764
Energy: 1.692288770268079
Energy: 1.6932509490489107
Energy: 1.7125123895089507
Energy: 1.7302273118359532
Energy: 1.7936038812109083
Energy: 1.7150606387013123
Energy: 1.7138307319196235
Energy: 1.6413368880920038
Energy: 1.7143766414495782
Energy: 1.6898550093503866
Energy: 1.698401682123232
Energy: 1.7230376616691563
Energy: 1.6908286973909303
Energy: 1.7027676896983999
Energy: 1.6903578884359578
Energy: 1.6877747235948475

minimum gb energy = 1.6048361931649249 eV
minimum distance =  2.56266568756224 Angstroms
sigma value = 33


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

Energy: 3.388338902607011
Energy: 1.7303883756720793
Energy: 1.7340067634508618
Energy: 1.720504191686507
Energy: 1.7323606285972626
Energy: 1.734984677783888
Energy: 1.838893829133591
Energy: 1.73512016621287
Energy: 1.712158274886157
Energy: 1.7116127553717646
Energy: 1.7072365313900753
Energy: 1.7370460221016015
Energy: 1.8409567935844058
Energy: 1.7349220781515864
Energy: 1.9806283352442577
Energy: 1.6943638871956728
Energy: 1.7342106945515494
Energy: 1.7364570636415273
Energy: 1.7950920481847674
Energy: 1.7339661089793381
Energy: 1.7328148052518628
Energy: 1.838276420044877
Energy: 1.7327415148492369
Energy: 1.7350721301690855
Energy: 1.8421588356183491
Energy: 1.7324044988083298
Energy: 1.7071832557334934
Energy: 1.8391998589229797
Energy: 1.7553242629686263
Energy: 1.7334858897253536
Energy: 1.7087734288125238
Energy: 1.7521875021050184
Energy: 1.7518403431652017
Energy: 1.7086423292901216
Energy: 1.7543570820437588
Energy: 1.751929909144259
Energy: 1.709987691247195
Energy: 1.7533955699722688
Energy: 1.7527371006662502
Energy: 1.9275521566818763
Energy: 1.753069604213486
Energy: 1.7525721324184103
Energy: 1.7516860521078819
Energy: 1.708482471514904
Energy: 1.7091032881731474
Energy: 1.7085359631911317
Energy: 1.7537117445572137
Energy: 1.7084096172406564
Energy: 1.7164434969151299
Energy: 1.7343620475562778
Energy: 1.7366142923235588
Energy: 1.7957454058517839
Energy: 1.7340797538125778
Energy: 1.8457164713591512
Energy: 1.6715594575036008
Energy: 1.7324912579771843
Energy: 1.73395304960424
Energy: 1.7660724923389557
Energy: 1.732863188286258
Energy: 1.727146522417879
Energy: 1.8013887636314818
Energy: 1.707610951225186
Energy: 1.734334554601038
Energy: 1.8245267886436158
Energy: 1.7324173169575572
Energy: 1.706973305021249
Energy: 1.7078250026573998
Energy: 1.7070030218877892
Energy: 1.7082241206968531
Energy: 1.6943738668660293
Energy: 1.7076961042001004
Energy: 1.7074061854582525
Energy: 1.6944898887945188
Energy: 1.707085469727781
Energy: 1.7081484726976752
Energy: 1.6925078253772499
Energy: 1.7073220732160208
Energy: 1.707479363178031
Energy: 1.7113099690927094
Energy: 1.7097823285483722
Energy: 1.7342649474921097
Energy: 1.8399507663388184
Energy: 1.7326647108786164
Energy: 1.7077532521144883
Energy: 1.706161696416646
Energy: 1.7412316461170592
Energy: 1.7430299932543545
Energy: 1.7655888047458974
Energy: 1.7425521162067212
Energy: 1.7412183432430612
Energy: 1.6967065957949388
Energy: 1.7420697092839468
Energy: 1.7453787652791204
Energy: 1.7961752647153564
Energy: 1.7446218310714086
Energy: 1.7528762902498696
Energy: 1.7087838387456384
Energy: 1.675469848291208
Energy: 1.7344957306554305
Energy: 1.8339865718773574
Energy: 1.742669603346417
Energy: 1.6754205663509307
Energy: 1.6791028301948487
Energy: 1.740957804336058
Energy: 1.741835757395097
Energy: 1.923813342377868
Energy: 1.741612844637866
Energy: 1.7472573746996074
Energy: 1.6749163821668271
Energy: 1.7412166577735897
Energy: 1.7419383222966887
Energy: 1.7325707922579883
Energy: 1.7422328465810903
Energy: 1.7413168874860956
Energy: 1.7078379674907143
Energy: 1.7076525977352908
Energy: 1.7352716348389614
Energy: 1.841709602519203
Energy: 1.732700211746835
Energy: 1.7076027570233292
Energy: 1.697291117210604
Energy: 1.7081586420416406
Energy: 1.7272864467044975
Energy: 1.7155258752726805
Energy: 1.707107958772806
Energy: 1.7082903696368137
Energy: 1.7082936616947095
Energy: 1.708656964812674
Energy: 1.7383600178844434
Energy: 1.705869079945872
Energy: 1.7087770593282252
Energy: 1.7087150354922453
Energy: 1.8382740763524992
Energy: 1.7878880004782245
Energy: 1.7414426410441923
Energy: 1.8742125096137996
Energy: 1.7386117462644288
Energy: 1.7409072502547478
Energy: 1.692563804807612
Energy: 1.7355152538729726
Energy: 1.7392505273149528
Energy: 1.755331961606856
Energy: 1.7371903435614666
Energy: 1.745691883292942
Energy: 1.839328012489924
Energy: 1.7582253517011983
Energy: 1.7364908409273097
Energy: 1.7559307881835875
Energy: 1.7358988254386245
Energy: 1.7414649479047206
Energy: 1.708317457969714
Energy: 1.751300735271323
Energy: 1.7513207629195227
Energy: 1.7075244478571958
Energy: 1.7526223593797
Energy: 1.7099651604564372
Energy: 1.720458024316904
Energy: 1.7525929537652396
Energy: 1.7518870482009963
Energy: 1.831994089842858
Energy: 1.7522745905554638
Energy: 1.7518701302272228
Energy: 1.7081987340155864
Energy: 1.7522295979407947
Energy: 1.7320524899728433
Energy: 1.710455056726565
Energy: 1.754097319868886
Energy: 1.7081078147419344
Energy: 1.7962928814060346
Energy: 1.7427300210675964
Energy: 1.8426584245941213
Energy: 1.7139443227363922
Energy: 1.7421568535707364
Energy: 1.766472940218523
Energy: 1.7960546944979747
Energy: 1.7362948091889652
Energy: 1.7292699825493039
Energy: 1.750319345853849
Energy: 1.7352171572209252
Energy: 1.7377969380333143
Energy: 1.8232523666620344
Energy: 1.7349212977572674
Energy: 1.741953908251426
Energy: 1.8001144676833165
Energy: 1.7355989910600675
Energy: 1.7378960625364561
Energy: 1.7936478704970533
Energy: 1.7082778856454528
Energy: 1.707651047571008
Energy: 1.710082060327507
Energy: 1.7077893538878255
Energy: 1.8432156588136848
Energy: 1.6926702084006653
Energy: 1.7076343189867442
Energy: 1.7073623764747312
Energy: 1.6956942571206144
Energy: 1.7074963677043316
Energy: 1.7329569914117633
Energy: 1.8422855360292767
Energy: 1.732621143410491
Energy: 1.7071406512983034
Energy: 1.7098427230808813
Energy: 1.7078366565507437
Energy: 1.7332729446252446
Energy: 1.8414269505793812
Energy: 1.7412206891666062
Energy: 1.7411155070670548
Energy: 1.7060435259576892
Energy: 1.7410378289029937
Energy: 1.7418214903140667
Energy: 1.796471870671299
Energy: 1.7417902294257603
Energy: 1.7411736513450327
Energy: 1.697687052671009
Energy: 1.7412449970542379
Energy: 1.7819921726630095
Energy: 1.8390201318890707
Energy: 1.7339200947712339
Energy: 1.6751653516559168
Energy: 1.6737688498289465
Energy: 1.6752081274357178
Energy: 1.8340025934970452
Energy: 1.7970321235197901
Energy: 1.7430171607686293
Energy: 1.741525755815061
Energy: 1.6766377752120172
Energy: 1.7414759301323062
Energy: 1.7431071375294735
Energy: 1.840970813375768
Energy: 1.7417050690967206
Energy: 1.7410872991677115
Energy: 1.67334767861812
Energy: 1.7410327677554882
Energy: 1.7414484390449012
Energy: 1.841630690728714
Energy: 1.732298682706916
Energy: 1.707152384543278
Energy: 1.7075590601008543
Energy: 1.7075533159740341
Energy: 1.733032273977674
Energy: 1.715428335782121
Energy: 1.7070584537672258
Energy: 1.707504682003264
Energy: 1.694886885317929
Energy: 1.7075208410604303
Energy: 1.7286471984006946

minimum gb energy = 1.6715594575036008 eV
minimum distance =  2.55321310474759 Angstroms
sigma value = 51


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

Energy: 3.568879687237774
Energy: 1.8507954130909023
Energy: 1.851952814241322
Energy: 1.9242184960583533
Energy: 1.8515345800877792
Energy: 1.7811361307271607
Energy: 1.6681168239105306
Energy: 1.8621484712830378
Energy: 1.8306124784389208
Energy: 1.8261731475256944
Energy: 1.8766214316440546
Energy: 1.8323292631852808
Energy: 1.6681504737893618
Energy: 1.8284793714354814
Energy: 1.8613630593954433
Energy: 1.8704588069329353
Energy: 1.8284849115971349
Energy: 1.8276184727444855
Energy: 1.8907695633539112
Energy: 1.8293919258544307
Energy: 1.8274422474253875
Energy: 1.7727008604586207
Energy: 1.8276242939433114
Energy: 1.822371073515649
Energy: 1.7042790932411989
Energy: 1.8313119870913661
Energy: 1.7430965467716024
Energy: 1.9650641466900054
Energy: 1.7468076771986236
Energy: 1.8253233759317702
Energy: 1.6638828987370426
Energy: 1.8718123331888274
Energy: 1.7450952265341402
Energy: 1.823340459285467
Energy: 1.871547566815904
Energy: 1.8722596729837473
Energy: 1.6639655241935727
Energy: 1.8724951650405164
Energy: 1.871977505452535
Energy: 2.0989332172770103
Energy: 1.872450534228267
Energy: 1.8719792469846401
Energy: 1.663770851225404
Energy: 1.6648964306870655
Energy: 1.744110557901073
Energy: 1.823541350395808
Energy: 1.9842464717012642
Energy: 1.6642311233364104
Energy: 1.6650203533320915
Energy: 1.7399292965813373
Energy: 1.740646701244179
Energy: 1.9654825328732932
Energy: 1.7400948007264514
Energy: 1.7409386134835572
Energy: 1.6631780967978704
Energy: 1.7396231499105514
Energy: 1.7408030573037951
Energy: 1.829657299272634
Energy: 1.742981352364428
Energy: 1.7397417658017855
Energy: 1.66582982114038
Energy: 1.6636561969081938
Energy: 1.7413325895836949
Energy: 1.8362166387972614
Energy: 1.7411300305789175
Energy: 1.6643698583208373
Energy: 1.6639141200758791
Energy: 1.8388986914212637
Energy: 1.839103182877127
Energy: 1.7724918277692792
Energy: 1.8387331321316431
Energy: 1.663372076781301
Energy: 1.6648123000553774
Energy: 1.8390956606546789
Energy: 1.8389995879615437
Energy: 1.734325452965748
Energy: 1.838576425282826
Energy: 1.8395122022852797
Energy: 1.6626694376292044
Energy: 1.846721324633096
Energy: 1.741585681481969
Energy: 1.9220804808126175
Energy: 1.7406081278149563
Energy: 1.6639555976188307
Energy: 1.906032040506639
Energy: 1.853045216249721
Energy: 1.8525233934352026
Energy: 1.7674133765473885
Energy: 1.8527775281827283
Energy: 1.8912853006608565
Energy: 1.6675286728150254
Energy: 1.8522215561355329
Energy: 1.8531657912676478
Energy: 1.968609839432074
Energy: 1.8526962035903591
Energy: 1.8275848154135854
Energy: 1.683117166852566
Energy: 1.8319941031254343
Energy: 1.873527015422428
Energy: 1.8667485258244092
Energy: 1.8324281881434605
Energy: 1.8296174487426187
Energy: 1.7453704674043893
Energy: 1.878977702901388
Energy: 1.8232751108890155
Energy: 1.9196893755143531
Energy: 1.8230999841869258
Energy: 1.7673632779219557

minimum gb energy = 1.6626694376292044 eV
minimum distance =  2.54271629441922 Angstroms
sigma value = 19


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

Energy: 2.8414177679734713
Energy: 1.7806441039661183
Energy: 1.7803916761247016
Energy: 1.781139995807882
Energy: 1.848563860770541
Energy: 1.839024194140893
Energy: 1.805422870951823
Energy: 1.8380334816350563
Energy: 1.7821692956732902
Energy: 1.7610903848195862
Energy: 1.849457187010719
Energy: 1.8365357596261576
Energy: 1.8089638916067048
Energy: 1.8340878539578371
Energy: 1.8347260885397554
Energy: 1.7612598542187783
Energy: 1.833693758030037
Energy: 1.8333228108123765
Energy: 2.047699672832394
Energy: 1.8350381977605645
Energy: 1.8338903924556489
Energy: 1.8666951883547398
Energy: 1.8343166607451158
Energy: 1.836350779203882
Energy: 1.8672313979381163
Energy: 1.852298288931651
Energy: 1.8430306205619147
Energy: 1.7625107204212969
Energy: 1.860880071870343
Energy: 1.8331490688622991
Energy: 2.0484379847067857
Energy: 1.8339744392563624
Energy: 1.815971011421828
Energy: 1.7606772311900247
Energy: 1.8358546537113298
Energy: 1.8334740931163012
Energy: 1.8094543665525005
Energy: 1.8341450774913561
Energy: 1.8426077164748043
Energy: 1.8371843670721668
Energy: 1.8340655356858457
Energy: 1.8341484027737178
Energy: 1.8103655979433577
Energy: 1.833830901764716
Energy: 1.815939647470125
Energy: 1.760940482687815
Energy: 1.836669369305746
Energy: 1.8355046975387577
Energy: 1.7528714680581872
Energy: 1.8511398855700076
Energy: 1.7804282824626607
Energy: 1.7851846655614927
Energy: 1.7804885735377118
Energy: 1.833992514470978
Energy: 1.7529422570373696
Energy: 1.7807652633392832
Energy: 1.7813018712145663
Energy: 1.803997083475846
Energy: 1.7808635526552656
Energy: 1.8352085414158765
Energy: 1.8042116781439055
Energy: 1.8343942122021684
Energy: 1.824572653247243
Energy: 1.8076538063858691
Energy: 1.851424409728086
Energy: 1.8765887858426402
Energy: 1.8080659247223376
Energy: 1.8388759449170728
Energy: 1.841163954023204
Energy: 1.8669574652882484
Energy: 1.839779862301456
Energy: 1.834312145297722
Energy: 2.180704649386363
Energy: 1.8420624355233652
Energy: 1.8415732097642394
Energy: 1.868340784888104
Energy: 1.8419370466486178
Energy: 1.8410931232196384
Energy: 1.8070964073551299
Energy: 1.8385610692048586
Energy: 1.8340871513571175
Energy: 1.8093690689380724
Energy: 1.836277422009348
Energy: 1.874996310676363
Energy: 1.8063303731059133
Energy: 1.7808730132787571
Energy: 1.861083015242844
Energy: 1.7128047139572078
Energy: 1.851043663112547
Energy: 1.7812580756103564
Energy: 1.7582755489418325
Energy: 1.781464442908826
Energy: 1.8139107039238362
Energy: 1.7927522908036027
Energy: 1.7807512336983455
Energy: 1.7808705802063214
Energy: 1.76088222742562
Energy: 1.8494441518315412
Energy: 1.851348901965452
Energy: 1.851633604962472
Energy: 1.8520987649750285
Energy: 1.835163937557557
Energy: 2.0255378601227534
Energy: 1.8333263515206377
Energy: 1.8349225511796319
Energy: 1.8338802170948936
Energy: 1.833958725392685
Energy: 1.8341335374791592
Energy: 1.8570161022186384
Energy: 1.8333877025025405
Energy: 1.8336251635241272
Energy: 1.9705823724140132
Energy: 1.8333575890669527
Energy: 1.8337085297678617
Energy: 1.7584989467182406
Energy: 1.8414871563882678
Energy: 1.833793339781946
Energy: 1.824618947698979
Energy: 1.8350710832917843
Energy: 1.8045242571536084
Energy: 1.7953561975864263
Energy: 1.8335915060561514
Energy: 1.834488382600173
Energy: 2.047043719483198
Energy: 1.8338553294186624
Energy: 1.8608834110901802
Energy: 1.796034250126175
Energy: 1.833870893438583
Energy: 1.8359599987303483
Energy: 1.8350663426129912
Energy: 1.8352934181977154
Energy: 1.8298876465033758
Energy: 1.7454417775604596
Energy: 1.8659419306486285
Energy: 1.8337047479915691
Energy: 1.862359181299646
Energy: 1.8341745144772237
Energy: 1.8358860014779523
Energy: 1.7602681380971936
Energy: 1.7803343245834673
Energy: 1.8346358804035392
Energy: 1.7530089666689894
Energy: 1.7799168875684395
Energy: 1.7803608369299804
Energy: 1.804403203340848
Energy: 1.780243530555573
Energy: 1.8503724475456076
Energy: 1.753262584746825
Energy: 1.780265614337074
Energy: 1.7809367520340345
Energy: 1.8044443877079486
Energy: 1.8152358803556656
Energy: 1.8337498149046467
Energy: 1.8025335606820372
Energy: 1.8339801549598027
Energy: 1.824675294573625
Energy: 1.808564088264808
Energy: 1.8396963434136206
Energy: 1.840385297690282
Energy: 1.833567381574938
Energy: 1.8407185542134574
Energy: 1.838853697670293
Energy: 1.8077594369690162
Energy: 1.8387392563771574
Energy: 1.839979094593552
Energy: 2.004967872684014
Energy: 1.8389746872862496
Energy: 1.8345043455399532
Energy: 1.803376980562381
Energy: 1.8487846950240288
Energy: 1.8406337160551707
Energy: 1.8078479511481231
Energy: 1.8425533580085758
Energy: 1.8761859608540512
Energy: 1.7925076452972601
Energy: 1.8494399594583437
Energy: 1.7810068910827752
Energy: 1.8046299102194552
Energy: 1.7807763952891407
Energy: 1.8125935060527842

minimum gb energy = 1.7128047139572078 eV
minimum distance =  2.51973081649022 Angstroms
sigma value = 27


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

Energy: 2.2684674086713756
Energy: 1.7761239883614104
Energy: 1.7759715529580864
Energy: 1.58523872670075
Energy: 1.776596714688212
Energy: 1.738215316243374
Energy: 1.5841891435472408
Energy: 1.7347799070150327
Energy: 1.7233487785251485
Energy: 1.5798914136727655
Energy: 1.725159375568209
Energy: 1.7266995273200072
Energy: 1.6284507386626133
Energy: 1.7239273908614656
Energy: 1.7236732381517588
Energy: 1.5831710505411287
Energy: 1.7236828277090723
Energy: 1.722524285821191
Energy: 1.8069322363154334
Energy: 1.7264515500323794
Energy: 1.7251888937180264
Energy: 1.7286459086033588
Energy: 1.7257121951496301
Energy: 1.7264488873314017
Energy: 1.5855144069954308
Energy: 1.730938798786321
Energy: 1.734722880375764
Energy: 1.5870126081342188
Energy: 1.73509549236369
Energy: 1.7271310638188289
Energy: 1.5794100276532177
Energy: 1.7267398168576056
Energy: 1.7350176989227462
Energy: 1.5850845555419937
Energy: 1.7357185199662635
Energy: 1.727634675796502
Energy: 1.5843873567680729
Energy: 1.776853492837676
Energy: 1.7381617577907604
Energy: 2.27318214914836
Energy: 1.7763686849907017
Energy: 1.7772026993310273
Energy: 1.578655609554137
Energy: 1.7244664896288346
Energy: 1.7345991532286416
Energy: 1.5845527717780419
Energy: 1.73634475595718
Energy: 1.7233587809231703
Energy: 1.5830023331985996
Energy: 1.7236460791613657
Energy: 1.7229816231341828
Energy: 1.585094779448725
Energy: 1.7239462780239434
Energy: 1.7341233099819457
Energy: 1.5856136252492097
Energy: 1.7252740019615458
Energy: 1.7270413568551335
Energy: 1.7270005903838501
Energy: 1.726489691749493
Energy: 1.7248800562604192
Energy: 1.5869698069089904
Energy: 1.7347514400078607
Energy: 1.7310900653094037
Energy: 1.585520270215967
Energy: 1.7307628579192162
Energy: 1.7345037636041905
Energy: 1.5663391507558502
Energy: 1.735387760472905
Energy: 1.7264378137525762
Energy: 1.5802383345145299
Energy: 1.7258451896438367
Energy: 1.734476519537341

minimum gb energy = 1.5663391507558502 eV
minimum distance =  2.58455608830895 Angstroms
sigma value = 9


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

Energy: 3.5499007286145154
Energy: 1.823273219536348
Energy: 1.7452535959608955
Energy: 1.7874324061515166
Energy: 1.821725901075642
Energy: 1.8905485741983652
Energy: 1.8247611005887991
Energy: 1.9834223070867234
Energy: 1.743859719435301
Energy: 1.761628002997164
Energy: 1.7439124125433418
Energy: 1.8842790665745421
Energy: 1.7626031993817566
Energy: 1.917662510431592
Energy: 1.9171077902540494
Energy: 1.8029734984877475
Energy: 1.9181493550588649
Energy: 1.8994179099173005
Energy: 1.6605159909765967
Energy: 1.9175827667307683
Energy: 1.917550604585216
Energy: 1.837203749062097
Energy: 1.917850809183124
Energy: 1.9189624269492718
Energy: 1.7626751114615482
Energy: 1.9162705851036395
Energy: 1.917819553024357
Energy: 1.7618264378581139
Energy: 1.9195288784039215
Energy: 1.9171165554701681
Energy: 1.7617615779532718
Energy: 1.7435860789600874
Energy: 1.9172099750669145
Energy: 1.8245802517254976
Energy: 2.03024523966186
Energy: 1.7441449183548559
Energy: 1.7207993477946053
Energy: 1.7441534853112146
Energy: 1.8785507370829366
Energy: 1.898019763274054
Energy: 1.743353944282952
Energy: 1.744216589063223
Energy: 1.709511071606539
Energy: 1.743919805776591
Energy: 1.981004356620784
Energy: 1.8245854139523638
Energy: 2.02983680057232
Energy: 1.7440785629715903
Energy: 1.7205172123769694
Energy: 1.9012522909979008
Energy: 1.894125478243857
Energy: 1.762274466287368
Energy: 1.9808549050895277
Energy: 1.902901585038729
Energy: 1.7419352705289126
Energy: 1.897659562520222
Energy: 1.891629030644975
Energy: 1.9945409292356593
Energy: 1.891604945949216
Energy: 1.900056366200761
Energy: 1.7231551631761368
Energy: 1.8930843330224116
Energy: 1.890466196669419
Energy: 1.8574900772003313
Energy: 1.8914098573789044
Energy: 1.9254130240229523
Energy: 1.722455827115754
Energy: 1.9557177805629156
Energy: 1.843309210712424
Energy: 1.8215024651118015
Energy: 1.8423051868660671
Energy: 1.900248981851422
Energy: 3.2241197365485927
Energy: 1.8427109719159274
Energy: 1.8431910864568024
Energy: 1.7989394555203357
Energy: 1.842898263520334
Energy: 1.892729884803188
Energy: 1.722440125242809
Energy: 1.9748519811331655
Energy: 1.8447138092596946
Energy: 1.7997622143816712
Energy: 1.842287918700895
Energy: 1.868179887212062
Energy: 1.7220251618593334
Energy: 2.037888460234382
Energy: 1.8421639523263382
Energy: 1.8007262415621643
Energy: 1.8434953379102512
Energy: 1.8659919497516153
Energy: 1.8526918798862062
Energy: 1.842427586566049
Energy: 1.8428953813198845
Energy: 1.801055651573422
Energy: 1.8434168340374837
Energy: 1.862541387065384
Energy: 1.6612947326454128
Energy: 1.8415398193653212
Energy: 1.8425761160146554
Energy: 1.8202606182107677
Energy: 1.8418958718784302
Energy: 1.8638170200754374
Energy: 1.7794421178378461
Energy: 1.8927125050171136
Energy: 1.8438195640157704
Energy: 1.7618547998978011
Energy: 1.8911512629164948
Energy: 1.886671604274181
Energy: 1.7208781472849313
Energy: 1.9126222777123403
Energy: 1.9047531587696278
Energy: 1.8631808044339697
Energy: 1.909877962399058
Energy: 1.9108781518108908
Energy: 1.743730809079689
Energy: 1.8943063981534587
Energy: 1.9804374142829522
Energy: 1.7610083874911082
Energy: 1.8910967735818929
Energy: 1.8926253059894607
Energy: 1.7181817011155047
Energy: 1.74508252341823
Energy: 1.980044101523875
Energy: 1.822013258045359
Energy: 1.9799811563169734
Energy: 1.7593210638049877
Energy: 1.7113030875056754
Energy: 1.7452248049044623
Energy: 1.811860578312142
Energy: 1.6587652501097043
Energy: 1.743870380324087
Energy: 1.745134438987099
Energy: 1.7575972303476917
Energy: 1.7434638423758986
Energy: 1.8855011207126524
Energy: 1.657330314407058
Energy: 1.7433650026442935
Energy: 1.7443390151587645
Energy: 1.7625290249747299
Energy: 1.917408665882224
Energy: 1.9167671066716292
Energy: 1.8224322351300104
Energy: 1.9188207758290683
Energy: 1.746142079081543
Energy: 1.760623971801934
Energy: 1.9176290502813134
Energy: 1.9173134352775076
Energy: 1.7626093302718437
Energy: 1.9176928879870758
Energy: 1.9195501017438152
Energy: 1.7618528084537517
Energy: 1.9186640163378204
Energy: 1.917237589866759
Energy: 1.6618324737431924
Energy: 1.9181084186398831
Energy: 1.9174351961987233
Energy: 1.820122376737076
Energy: 1.9173838813366606
Energy: 1.7452075626406123
Energy: 1.7617130958585288
Energy: 1.7455403781971561
Energy: 1.8815323665559118
Energy: 1.7555964921770526
Energy: 1.744617564788244
Energy: 1.7448821746484109
Energy: 1.74440247587518
Energy: 1.7447023124413283
Energy: 1.842133864282676
Energy: 1.718672792372246
Energy: 1.7437697631863933
Energy: 1.7439306802475036
Energy: 1.7080575361880792
Energy: 1.7437850657368112
Energy: 1.8442654690127813
Energy: 1.8211782321278438
Energy: 1.97810001863898
Energy: 1.7875895598390472
Energy: 1.7189739351936189
Energy: 1.9028099109327279
Energy: 1.8439799005682256
Energy: 1.855825695234193
Energy: 1.8902924361066944
Energy: 1.9269699304662624
Energy: 2.069785024850196
Energy: 1.8904891997693873
Energy: 1.9814043654499098
Energy: 1.858091269870632
Energy: 1.8930028525194333
Energy: 1.9029460066211763
Energy: 1.7192645653148988
Energy: 1.9019500793248327
Energy: 1.912555615967579
Energy: 1.762450834907055
Energy: 1.843472211010824
Energy: 1.892478355772793
Energy: 1.7238653446694683
Energy: 1.8977543688944751
Energy: 1.842650074961358
Energy: 1.8197251192985702
Energy: 1.843064440747416
Energy: 1.8430938588235246
Energy: 1.8346677316968105
Energy: 1.8428324874281592
Energy: 1.8417464967829638
Energy: 1.8493626772200344
Energy: 1.8428767223206655
Energy: 1.8416008805691866
Energy: 1.7585975096772213
Energy: 1.8416524741190978
Energy: 1.842370133556521
Energy: 1.7970646175183882
Energy: 1.9037543145443085
Energy: 2.0385089893991566
Energy: 1.7831778814992891
Energy: 2.0380487592786642
Energy: 1.7997144396987237
Energy: 1.8516992061638242
Energy: 1.8431975095485005
Energy: 1.9722336609077946
Energy: 1.660391042806519
Energy: 1.841521005128902
Energy: 1.842836781951327
Energy: 1.7999842919302929
Energy: 1.8440088859874184
Energy: 1.863431226045871
Energy: 1.7531890310344262
Energy: 1.8437153419220524
Energy: 1.8426085758091775
Energy: 1.7616211468239067
Energy: 1.8431601632913923
Energy: 1.895342981178149
Energy: 1.7226549399005402
Energy: 1.892734436503367
Energy: 1.8025585082408
Energy: 1.800499188064849
Energy: 1.8925116316138397
Energy: 1.9019765924451029
Energy: 1.7185560779824918
Energy: 1.9002687566520073
Energy: 1.8917438623341143
Energy: 1.7628245554872677
Energy: 1.890862221679399
Energy: 1.890835881266377
Energy: 1.886185873436773
Energy: 1.8910793438366411
Energy: 1.892755491449913
Energy: 1.8219997514875022
Energy: 1.978022890166489
Energy: 1.9152228723667386
Energy: 1.7190556892363016
Energy: 1.9123289682133593
Energy: 1.8445519397542673
Energy: 1.6567292262351774
Energy: 1.7453395268210337
Energy: 1.7436791986823155
Energy: 1.7075867641264095
Energy: 1.7434063778626498
Energy: 2.0395031685836313

minimum gb energy = 1.6567292262351774 eV
minimum distance =  2.57204933249082 Angstroms
sigma value = 57


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

Energy: 3.276210263574039
Energy: 1.7829070570271797
Energy: 1.5884948198671875
Energy: 1.498698863931918
Energy: 1.7827877962126064
Energy: 1.855604971028053
Energy: 1.4990327732218358
Energy: 1.8447498177958437
Energy: 1.7049674427762773
Energy: 1.4951247532917302
Energy: 1.7048894633053016
Energy: 1.857781808798093
Energy: 1.496615551099544
Energy: 1.8593035791599917
Energy: 1.861039657422357
Energy: 1.4961203586350356
Energy: 1.8618727234043995
Energy: 1.7059563572665548
Energy: 1.4898753293628797
Energy: 1.8594141076422628
Energy: 1.8606652138301476
Energy: 1.495318761009972
Energy: 1.860018836262302
Energy: 1.4910337236272309
Energy: 1.4897552965129222
Energy: 1.8608241067196372
Energy: 1.8589679128950263
Energy: 1.4975993795632678
Energy: 1.8604367955630965
Energy: 1.7517688050792695
Energy: 1.4940521181491282
Energy: 1.7045008393333385
Energy: 1.8646493199295262
Energy: 1.496736724811445
Energy: 1.7047097025139533
Energy: 1.7030285261119549
Energy: 1.542700296502218
Energy: 1.719797386024024
Energy: 1.7248523188193032
Energy: 1.7485662584318638
Energy: 1.7205848236855155
Energy: 1.7199974679231331
Energy: 1.5405736111446888
Energy: 1.7047680255695083
Energy: 1.8570740057751551
Energy: 1.7106283543609846
Energy: 1.7055684658718393
Energy: 1.7046843020502958
Energy: 1.5403941262524716
Energy: 1.8588470770184158
Energy: 1.859129169048091
Energy: 1.4987116446502078
Energy: 1.8573011489352893
Energy: 1.5402993101151032
Energy: 1.5407905727617568
Energy: 1.7058477577625126
Energy: 1.8450341254936424
Energy: 1.4881946973863676
Energy: 1.7064711056059298
Energy: 1.540369449341093
Energy: 1.495638205916401
Energy: 1.7056409206347027
Energy: 1.841792903190904
Energy: 1.488294037611012
Energy: 1.7050219567835383
Energy: 1.4961796063207058
Energy: 1.4974960861424749
Energy: 1.8600390873114727
Energy: 1.8432474771785134
Energy: 1.4973777368525218
Energy: 1.8607505719457094
Energy: 1.7181898701430396
Energy: 1.496599412557382
Energy: 1.8616774278812296
Energy: 1.751876186976562
Energy: 1.7194596224030556
Energy: 1.8612269871273357
Energy: 1.8607654685438415
Energy: 1.497920131111681
Energy: 1.860579880601103
Energy: 1.8600604306798592
Energy: 1.4903173835495287
Energy: 1.8626030325643463
Energy: 1.860387384525945
Energy: 1.4977768118917174
Energy: 1.8603926378993785
Energy: 1.7074077580618408
Energy: 1.4965540916078819
Energy: 1.707136027286813
Energy: 1.8443380176958342
Energy: 1.4848512453476124
Energy: 1.7060669507756574
Energy: 1.7196305559114553
Energy: 1.4958920216794587
Energy: 1.7172357576224762
Energy: 1.7484707503691335
Energy: 1.4844741290788759
Energy: 1.7044999148560547
Energy: 1.7047107194758817
Energy: 1.5400150369972192
Energy: 1.7048677493850963
Energy: 1.8424605741303193
Energy: 1.4973202149633549
Energy: 1.8723168805381016
Energy: 1.7208914296370765
Energy: 1.5388410651079507
Energy: 1.8543536001311274
Energy: 1.862046967075231
Energy: 1.4939409229577454
Energy: 1.842048705482159
Energy: 1.7056208141797455
Energy: 1.5380678884400503
Energy: 1.705199996579862
Energy: 1.8598454414191978

minimum gb energy = 1.4844741290788759 eV
minimum distance =  2.54483393782511 Angstroms
sigma value = 11


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

Energy: 1.9604210056400657
Energy: 1.6644990813182712
Energy: 1.4808605524503209
Energy: 1.4822185191150679
Energy: 1.6667110845131154
Energy: 1.4034715808342781
Energy: 1.3894452579433971
Energy: 1.738561039828284
Energy: 1.5664527189242492
Energy: 1.385845004025003
Energy: 1.5634572129036228
Energy: 1.7869580882856861
Energy: 1.3902686093677743
Energy: 1.7562838778190928
Energy: 1.7622722946582747
Energy: 1.3868603437277882
Energy: 1.7607437345962098
Energy: 1.7885556387974284
Energy: 1.37988989947954
Energy: 1.7561930326740893
Energy: 1.7619135567485817
Energy: 1.6230816710502478
Energy: 1.7605104568305925
Energy: 1.7833933257067185
Energy: 1.3806624806445706
Energy: 1.755176871399197
Energy: 1.7615956120609797
Energy: 1.3867868311510088
Energy: 1.7611393948745555
Energy: 1.7834626466491108
Energy: 1.3861905971997237
Energy: 1.755756892642633
Energy: 1.7625309954032795
Energy: 1.3887979197576925
Energy: 1.7562260417089397
Energy: 1.6273731367331776
Energy: 1.3873091900619938
Energy: 1.6241000588217398
Energy: 1.7612705529385095
Energy: 1.6234274316428294
Energy: 1.7620130068093998
Energy: 1.625920728992017
Energy: 1.5779608732659252
Energy: 1.755963173383584
Energy: 1.7537516904761719
Energy: 1.5669587721561204
Energy: 1.7547813691775203
Energy: 1.651005563118817
Energy: 1.3891640678808743
Energy: 1.5647508172662172
Energy: 1.7841539044501424
Energy: 1.565970573526892
Energy: 1.762840290952528
Energy: 1.5690291559711513
Energy: 1.3871199380454422
Energy: 1.5656318564689766
Energy: 1.56466416401263
Energy: 1.78635326302282
Energy: 1.5649552804817064
Energy: 1.5681446098497507
Energy: 1.4145128357617882
Energy: 1.5638298941211066
Energy: 1.5630383996853485
Energy: 1.382457303030342
Energy: 1.5632698107857024
Energy: 1.5675681466941351
Energy: 1.4069477843108458
Energy: 1.566229260734502
Energy: 1.7832174250701487
Energy: 1.7612566647309496
Energy: 1.7363976583213776
Energy: 1.4095627981173242
Energy: 1.4097195467824373
Energy: 1.563457943199867
Energy: 1.7538894645181216
Energy: 1.3831394254675928
Energy: 1.5633614809381022
Energy: 1.41206841083131
Energy: 1.3865791698161802
Energy: 1.3874723381658831
Energy: 1.7168508500583326
Energy: 1.7885537553351363
Energy: 1.567647061815274
Energy: 1.3864436852537467
Energy: 1.387339324733615
Energy: 1.5645526219533599
Energy: 1.786555513874904
Energy: 1.624813499003266
Energy: 1.7625315741863936
Energy: 1.3864333704323148
Energy: 1.388184741535392
Energy: 1.7631165992106532
Energy: 1.7552114051708771
Energy: 1.622967394993985
Energy: 1.755557605186541
Energy: 1.7614810443143596
Energy: 1.3870085775647443
Energy: 1.7628273475947283
Energy: 1.7854074462133402
Energy: 1.783737787175752
Energy: 1.762372725083691
Energy: 1.6235233118796997
Energy: 1.3857261666888527
Energy: 1.7579476744380338
Energy: 1.7542176161038043
Energy: 1.3796077939472644
Energy: 1.7566346033078077
Energy: 1.7649745163508488
Energy: 1.3863518813727849
Energy: 1.7538682616195178
Energy: 1.7617964337517233
Energy: 1.3850447226438771
Energy: 1.7562508488768993
Energy: 1.7891239388130404
Energy: 1.3831724146808992
Energy: 1.7602237352606582
Energy: 1.6238407369960688
Energy: 1.386195672747521
Energy: 1.7616012657493934
Energy: 1.7569412855160076
Energy: 1.3891485090681774
Energy: 1.755050481719088
Energy: 1.761030802746476
Energy: 1.380909889269005
Energy: 1.7586104195290568
Energy: 1.7557590247337993
Energy: 1.388760035502633
Energy: 1.7640031851081759
Energy: 1.564731586632124
Energy: 1.3871723959717293
Energy: 1.5636990980940377
Energy: 1.786443146955048
Energy: 1.384057506566427
Energy: 1.5668987120590883
Energy: 1.5685720649174266
Energy: 1.3867379630376064
Energy: 1.5693961228639108
Energy: 1.759004842402136
Energy: 1.382740252418847
Energy: 1.5624813523925178
Energy: 1.5646498921168226
Energy: 1.4104632711378546
Energy: 1.5625866548308152
Energy: 1.7544853034996284
Energy: 1.3852061008239909
Energy: 1.7603358699469682
Energy: 1.408754264678963
Energy: 1.4079822614371365
Energy: 1.7368208677853192
Energy: 1.784242749125111
Energy: 1.37900172079746
Energy: 1.5635566472054137
Energy: 1.4119743392844237
Energy: 1.4107739512126218
Energy: 1.5643738041366386
Energy: 1.71180726038709

minimum gb energy = 1.37900172079746 eV
minimum distance =  2.5086810369442 Angstroms
sigma value = 41


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

Energy: 2.4434861807766612
Energy: 1.299761934647261
Energy: 1.3726869198830922
Energy: 1.3731593945264668
Energy: 1.2987498186338453
Energy: 1.6920884345615224
Energy: 1.2700567767761115
Energy: 1.6616149381420107
Energy: 1.4288200237958397
Energy: 1.4354663725089
Energy: 1.4285302071219823
Energy: 1.6603536387407927
Energy: 1.603341006751685
Energy: 1.6617448045217083
Energy: 1.6080428625915368
Energy: 1.429170568340179
Energy: 1.6086550772072274
Energy: 1.6719368918289816
Energy: 1.5930528891045976
Energy: 1.6101107412855473
Energy: 1.6097057773974501
Energy: 1.4301234735605324
Energy: 1.6084608912938319
Energy: 1.6424792524894214
Energy: 1.5933632057292373
Energy: 1.6092336851864846
Energy: 1.6097401292681757
Energy: 1.5923604500485755
Energy: 1.6097833895480231
Energy: 1.6419722810435555
Energy: 1.6025076780860414
Energy: 1.6592781871132924
Energy: 1.6083455800971669
Energy: 1.6615433749842914
Energy: 1.664079606784246
Energy: 1.6573444299955138
Energy: 1.6049618037071267
Energy: 1.6628358423082612
Energy: 1.6586918927525403
Energy: 1.657655214326117
Energy: 1.6648159938502056
Energy: 1.6670882171072534
Energy: 1.5954627726334814
Energy: 1.663785991061396
Energy: 1.6629135522715108
Energy: 1.66127653854332
Energy: 1.663946113440204
Energy: 1.6429440832749251
Energy: 1.6016711436419249
Energy: 1.609524446267594
Energy: 1.6656298274354808
Energy: 1.6485170799627447
Energy: 1.6634123079648673
Energy: 1.6095144087021154
Energy: 1.4345917978107967
Energy: 1.6334748804398922
Energy: 1.611190452755575
Energy: 1.672283914073639
Energy: 1.607719108048096
Energy: 1.510995467279238
Energy: 1.4354358125925653
Energy: 1.6083892366444859
Energy: 1.6085220444125048
Energy: 1.6136020677044798
Energy: 1.6086806233173798
Energy: 1.529411098387488
Energy: 1.4354927625399636
Energy: 1.5265491762281012
Energy: 1.6713701185782062
Energy: 1.6441962067845797
Energy: 1.6076026863749624
Energy: 1.509980359217173
Energy: 1.432613941669538
Energy: 1.4287867596805108
Energy: 1.5319011477669058
Energy: 1.6608339501192708
Energy: 1.4283586095399905
Energy: 1.4303593726011157
Energy: 1.297829803063066
Energy: 1.4283323723990318
Energy: 1.6089804018958274
Energy: 1.609785808428218
Energy: 1.4289261283581216
Energy: 1.2977187883232386
Energy: 1.298279227102749
Energy: 1.4288485132065198
Energy: 1.661579479729882
Energy: 1.6586074016050776
Energy: 1.2979540824830997
Energy: 1.4293326675024274
Energy: 1.2981301669361043
Energy: 1.4300286578054164
Energy: 1.6103026619783347
Energy: 1.6570094296096305
Energy: 1.2987111906055513
Energy: 1.2987641146167679
Energy: 1.2974660269263312
Energy: 1.2980858632932262
Energy: 1.5621003408901981
Energy: 1.6462979372661208
Energy: 1.4307494025524974
Energy: 1.2977433340715416
Energy: 1.4343845513731075
Energy: 1.4290401442870564
Energy: 1.6074680925049487
Energy: 1.6410939519649919
Energy: 1.4287018221997965
Energy: 1.4475198779175074
Energy: 1.435404245524089
Energy: 1.6090152215929672
Energy: 1.6707928287361116
Energy: 1.6440239463450486
Energy: 1.6077697560091193
Energy: 1.509680064810297
Energy: 1.4354179162623901
Energy: 1.6092779108294435
Energy: 1.6084217798475127
Energy: 1.6426868355951862
Energy: 1.6084377098453284
Energy: 1.6075048870231423
Energy: 1.434218558913426
Energy: 1.634151513771366
Energy: 1.6410813720386757
Energy: 1.6411569781425264
Energy: 1.6078306656136063
Energy: 1.5110066201544692
Energy: 1.9630412465867662
Energy: 1.6109625812551602
Energy: 1.6631268256082081
Energy: 1.66135630892171
Energy: 1.6630747725652788
Energy: 1.608677415732178
Energy: 1.602181306949389
Energy: 1.6588695465486019
Energy: 1.662860386441632
Energy: 1.6623359259844772
Energy: 1.664297690848523
Energy: 1.6575438721609803
Energy: 1.9972761828216914
Energy: 1.663030776720353
Energy: 1.6576443661928315
Energy: 1.6775557769134535
Energy: 1.664175396277026
Energy: 1.663229771484242
Energy: 1.6013636538246658
Energy: 1.6590715475241782
Energy: 1.6637787190077395
Energy: 1.6610321775258905
Energy: 1.6667972206148212
Energy: 1.6569374046111578
Energy: 1.5955978108782847
Energy: 1.6091583762076183
Energy: 1.608765100297996
Energy: 1.5917247858528787
Energy: 1.6094673650144269
Energy: 1.607741381610943
Energy: 1.595717038339589
Energy: 1.6113702318509067
Energy: 1.5262832490089646
Energy: 1.4296237560324823
Energy: 1.60842992864515
Energy: 1.6101192521031422
Energy: 1.6013288005016855
Energy: 1.6102885733408938
Energy: 1.530844835465859
Energy: 1.4301289251463811
Energy: 1.6102329018641794
Energy: 1.6629559870469315
Energy: 1.6010802223526717
Energy: 1.6350492981686042
Energy: 1.4281701774022222
Energy: 1.4348319999041836
Energy: 1.4283169550608343
Energy: 1.6603008862132511
Energy: 1.595945931716501
Energy: 1.297757644189359
Energy: 1.2699758079631607
Energy: 1.2693420840005265
Energy: 1.298212045249615
Energy: 1.5144615835163835
Energy: 1.60144754189171
Energy: 1.299346334103339
Energy: 1.4279174627471785
Energy: 1.336621869612534
Energy: 1.4278252746597144
Energy: 1.6601078703546128
Energy: 1.6011929957181128
Energy: 1.6080631959916785
Energy: 1.2984028954194529
Energy: 1.3000180319571357
Energy: 1.5853031897573113
Energy: 1.6713505005046083
Energy: 1.5943489614458288
Energy: 1.4304641246822267
Energy: 1.2985083183017316
Energy: 1.301267728877821
Energy: 1.4309990225001104
Energy: 1.5598184416196665

minimum gb energy = 1.2693420840005265 eV
minimum distance =  2.50395934823212 Angstroms
sigma value = 33


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

Energy: 2.350574401413189
Energy: 1.1430089477023846
Energy: 1.2323240980874226
Energy: 1.2348330501389522
Energy: 1.1440761675949986
Energy: 1.1610419105258651
Energy: 2.475107512232718
Energy: 1.3410165674834278
Energy: 1.2430794686352165
Energy: 1.2452126378853432
Energy: 1.2430964615348856
Energy: 1.32561700014664
Energy: 2.1037874228398126
Energy: 1.457039430685953
Energy: 1.408021423669193
Energy: 1.1431566687611907
Energy: 1.4005148291703484
Energy: 1.4678871991508842
Energy: 2.24666796557282
Energy: 1.322355529637754
Energy: 1.3136737620262111
Energy: 1.1439838500802226
Energy: 1.3219952516072329
Energy: 1.4422670065489496
Energy: 2.2933510480890926
Energy: 1.4013859305735725
Energy: 1.3223458469834821
Energy: 1.4240400291274475
Energy: 1.400894173437794
Energy: 1.4411207382129116
Energy: 2.1050009800965257
Energy: 1.4664647031941527
Energy: 1.319726072192832
Energy: 1.4193372414925305
Energy: 1.473512539406226
Energy: 1.4783588721898668
Energy: 2.132611338641342
Energy: 1.4616309041747644
Energy: 1.4634341834728655
Energy: 1.4684770518601833
Energy: 1.4616218920058557
Energy: 1.4647761818114593
Energy: 1.7769228869995441
Energy: 1.4702141776880073
Energy: 1.3351818061047174
Energy: 1.3233635268534216
Energy: 1.3354510059367737
Energy: 1.4768099250560052
Energy: 2.4534706398275237
Energy: 1.4863158047270295
Energy: 1.4631015301210424
Energy: 1.461622947031407
Energy: 1.4646292586928835
Energy: 1.4833084064552062
Energy: 1.9527582445622507
Energy: 1.4808055950110361
Energy: 1.4800272790802629
Energy: 1.4806056470519087
Energy: 1.4811525146613358
Energy: 1.483836742248818
Energy: 1.9324768716155485
Energy: 1.4802231421135015
Energy: 1.4816881082529247
Energy: 1.4693211904320391
Energy: 1.4810621379651074
Energy: 1.4797379036134057
Energy: 1.844359088257777
Energy: 1.4811774577209629
Energy: 1.479359197741735
Energy: 1.4782598536563323
Energy: 1.4806517711897875
Energy: 1.4813630033515157
Energy: 2.0144655314701945
Energy: 1.4617997036370485
Energy: 1.4627444794484208
Energy: 1.4849080153855658
Energy: 1.4614402059052969
Energy: 1.4632516417892911
Energy: 1.5622393774827807
Energy: 1.4717737479944897
Energy: 1.46548440002903
Energy: 1.480241511077797
Energy: 1.4663067627558342
Energy: 1.3357173674222669
Energy: 1.3600273517313637
Energy: 1.4616414631171177
Energy: 1.4661473430507563
Energy: 1.4814740440433092
Energy: 1.4661512244411674
Energy: 1.4634340682416103
Energy: 1.569022870031101
Energy: 1.4037925146963235
Energy: 1.4715192476135233
Energy: 1.4880609891610335
Energy: 1.3351512291058163
Energy: 1.3997965021143974
Energy: 1.399285006191823
Energy: 1.3110674230151373
Energy: 1.4651614215999904
Energy: 1.462884421114933
Energy: 1.319664043103188
Energy: 1.4601637727451149
Energy: 1.2440958355054896
Energy: 1.4025627055638064
Energy: 1.3998171127396317
Energy: 1.486702714951562
Energy: 1.399752589531741
Energy: 1.318330996212707
Energy: 1.2451719718055707
Energy: 1.3108922743780456
Energy: 1.4586554870961481
Energy: 1.4792710282184198
Energy: 1.45547411623022
Energy: 1.1436418666448662
Energy: 1.2444603147775812
Energy: 1.2430432129096953
Energy: 1.2421051789317465
Energy: 1.4956705835011732
Energy: 1.2440068911438975
Energy: 1.1448204057169435
Energy: 1.1395175402581674
Energy: 1.143831980976049
Energy: 1.3191698952281163
Energy: 1.4643270786687015
Energy: 1.1455022795687135
Energy: 1.1420052085585075
Energy: 1.1469282666594733
Energy: 1.2434758696549224
Energy: 1.456281601927896
Energy: 1.480098642726833
Energy: 1.1405232825432163
Energy: 1.142276976149114
Energy: 1.1650887965433818
Energy: 1.2424558939592265
Energy: 1.321550309473178
Energy: 1.4827057390500047
Energy: 1.4005410591789158
Energy: 1.1416065513558726
Energy: 1.1410874111479072
Energy: 1.1422432574712875
Energy: 1.4531121894984245
Energy: 1.4431496017275325
Energy: 1.1446509331251542
Energy: 1.142732912241135
Energy: 1.2434419870781621
Energy: 1.2435814174265796
Energy: 1.3991771781504279
Energy: 1.4821267958008382
Energy: 1.2424759833322359
Energy: 1.244092868860072
Energy: 1.2437986499711489
Energy: 1.3213959846372352
Energy: 1.4587867596709614
Energy: 1.4792736767795742
Energy: 1.4561406365656198
Energy: 1.1438461628456174
Energy: 1.2429757012178841
Energy: 1.4042999411497832
Energy: 1.401231169131044
Energy: 1.4908794964404621
Energy: 1.4001860104701203
Energy: 1.3133085654944783
Energy: 1.597551442282894
Energy: 1.3176200820787227
Energy: 1.4438939032297997
Energy: 1.4805648529939088
Energy: 1.3210473021214908
Energy: 1.3132724652886603
Energy: 1.6245945097591261
Energy: 1.3210204769879943
Energy: 1.468526850232078
Energy: 1.488060060238876
Energy: 1.4708369409173614
Energy: 1.3219393337799716
Energy: 1.5706843261459287
Energy: 1.4655552252736483
Energy: 1.462916674440402
Energy: 1.4825464455631543
Energy: 1.4659798983478716
Energy: 1.4623187446067067
Energy: 1.6391775631116727
Energy: 1.3340675461038538
Energy: 1.47717930820885
Energy: 1.4777139365582705
Energy: 1.470787306757111
Energy: 1.3220056552457158
Energy: 2.0383032028945594
Energy: 1.4620480519610857
Energy: 1.4895627351960021
Energy: 1.4833918218257824
Energy: 1.4626295702453243
Energy: 1.4619976171994868
Energy: 1.972832651007218
Energy: 1.4804324307200394
Energy: 1.4798758270114953
Energy: 1.4798988837370397
Energy: 1.4805613054965836
Energy: 1.4801179757546448
Energy: 2.0576040156723927
Energy: 1.4806647094414118
Energy: 1.4803112572788972
Energy: 1.4813002996098683
Energy: 1.4810337752207436
Energy: 1.4803114681019556
Energy: 1.9466552766036023
Energy: 1.4809111480579187
Energy: 1.4802638481883141
Energy: 1.4817936540444236
Energy: 1.4813016849437841
Energy: 1.4798786341537549
Energy: 2.4526474225856036
Energy: 1.4645096135738946
Energy: 1.4632844857857619
Energy: 1.4622651131181617
Energy: 1.4619814571052199
Energy: 1.4869059260398574
Energy: 1.9870021894445822
Energy: 1.470119150706871
Energy: 1.426929186920658
Energy: 1.323078258240203
Energy: 1.3358187967197312
Energy: 1.4804365963792405
Energy: 2.1064598576407536
Energy: 1.4654789809174071
Energy: 1.4661898289091555
Energy: 1.4528417048690194
Energy: 1.4653313270386201
Energy: 1.4872816108664444
Energy: 2.623865341506305
Energy: 1.4702951642780464
Energy: 1.4041666867908096
Energy: 1.4183140297241008
Energy: 1.3150718344876078
Energy: 1.4674924632139295
Energy: 2.4790027605409075
Energy: 1.4022588379332472
Energy: 1.3146745506123743
Energy: 1.24635035365834
Energy: 1.320292535162256
Energy: 1.4629932589731114
Energy: 2.491399942017687
Energy: 1.4003274775488217
Energy: 1.3167604169997869
Energy: 1.1429621504430805
Energy: 1.4011549154748253
Energy: 1.4005262112031522
Energy: 2.1039673831113603
Energy: 1.4584241977044876
Energy: 1.3131695558620042
Energy: 1.1444840626222188
Energy: 1.3197387984000606
Energy: 1.4649127875897447
Energy: 2.3317311191188823
Energy: 1.2426988262254115
Energy: 1.2428515078327758
Energy: 1.2463081558544715
Energy: 1.2425432048332277
Energy: 1.3214563287390575
Energy: 1.9823975182182247
Energy: 1.1446426259905609
Energy: 1.1426445451171032
Energy: 1.141534663215754
Energy: 1.1438790773451277
Energy: 1.467459160714953
Energy: 2.0831883049234223
Energy: 1.400399841954963
Energy: 1.2428432557821143
Energy: 1.1630203794713148
Energy: 1.242744680663582
Energy: 1.454740336350585
Energy: 2.439030552794187
Energy: 1.3231212636615475
Energy: 1.243336363748153
Energy: 1.1481502711643514
Energy: 1.2435457426196466
Energy: 1.457118494492824
Energy: 2.836778939828169
Energy: 1.2462518180578859
Energy: 1.1420473461427822
Energy: 1.1400644813682537
Energy: 1.1414468614364182
Energy: 1.4463991405073262

minimum gb energy = 1.1395175402581674 eV
minimum distance =  2.55769830594117 Angstroms
sigma value = 67


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

Energy: 0.34542644837625885
Energy: 0.6607671981395584
Energy: 0.6610943160963318
Energy: 0.5358216191340393
Energy: 0.6599559048861108
Energy: 0.3456132763778395
Energy: 1.909098958970226
Energy: 0.5329599102381483
Energy: 0.5334483831439644
Energy: 0.5346955248317958
Energy: 0.5324755477786351
Energy: 0.5334338650815208
Energy: 1.9117433150765901
Energy: 0.537171842235146
Energy: 0.537608863387851
Energy: 0.5455994229342953
Energy: 0.5375260415531204
Energy: 0.5369478978999674
Energy: 0.35615192128523765
Energy: 0.5419438996673407
Energy: 0.5410339586961884
Energy: 0.5391896161756161
Energy: 0.5417136865392026
Energy: 0.3533476614619794
Energy: 0.3579929834541347
Energy: 0.5469097846705163
Energy: 0.5465825477763883
Energy: 0.54744338032504
Energy: 0.5459461821185894
Energy: 0.3570311649387321
Energy: 1.9136169696216443
Energy: 0.5386708829911309
Energy: 0.5379181549489515
Energy: 0.5374361368975084
Energy: 0.5384562525113709
Energy: 0.5388653577908172
Energy: 0.34911864416607413
Energy: 0.5345007044472356
Energy: 0.5352229264155774
Energy: 0.5410261429464019
Energy: 0.5345427008402142
Energy: 0.5341522587563047

minimum gb energy = 0.34542644837625885 eV
minimum distance =  2.80490822185275 Angstroms
sigma value = 3


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

Energy: 3.2218699419144237
Energy: 1.4219526928275459
Energy: 1.1259839498186177
Energy: 1.3096808255493009
Energy: 1.2404125439247389
Energy: 1.4312051853193473
Energy: 2.392572585534425
Energy: 1.3586387538302245
Energy: 1.120022526730346
Energy: 1.1260364925838646
Energy: 1.1199689898912095
Energy: 1.286398234053706
Energy: 2.2575968937903816
Energy: 1.2379565204666716
Energy: 1.1208279623003112
Energy: 1.125295351816334
Energy: 1.1212980146527043
Energy: 1.3515836040974232
Energy: 2.182695737890788
Energy: 1.2334307885718017
Energy: 1.1199852245024442
Energy: 1.1225518856486336
Energy: 1.233801793007805
Energy: 1.3719898159824604
Energy: 2.180927566874465
Energy: 1.2351762467405099
Energy: 1.2341473047828913
Energy: 1.2350617227070717
Energy: 1.2341707879432111
Energy: 1.372315619526285
Energy: 2.1637426725658155
Energy: 1.3584896368459243
Energy: 1.1220994537046378
Energy: 1.1228282905175868
Energy: 1.12336518047935
Energy: 1.4397360990798016
Energy: 2.3897540975584763
Energy: 1.399825698888242
Energy: 1.2352244884603143
Energy: 1.2368959195480942
Energy: 1.2363753053019528
Energy: 1.4008299276706797
Energy: 2.0184114852809394
Energy: 1.3961473231397084
Energy: 1.4001498415116065
Energy: 1.2780558090287237
Energy: 1.3956630209210228
Energy: 1.444455951806727
Energy: 2.393732619177801
Energy: 1.2354439703413513
Energy: 1.2856683204051675
Energy: 1.2373729462150818
Energy: 1.284809672891585
Energy: 1.2349840044357754
Energy: 2.1594567435822047
Energy: 1.4580511139591605
Energy: 1.397855438763316
Energy: 1.3941796999208647
Energy: 1.3938663585436308
Energy: 1.4587663569490852
Energy: 2.4946300130653447
Energy: 1.4520778783983948
Energy: 1.4538097646804775
Energy: 1.4190978683438733
Energy: 1.453921523152551
Energy: 1.4525451063261186
Energy: 1.8742910975537137
Energy: 1.4519447921242363
Energy: 1.4532049697002738
Energy: 1.452118596576755
Energy: 1.454240746153971
Energy: 1.4522945117478605
Energy: 2.368880972797182
Energy: 1.4523513470086644
Energy: 1.4563484937788538
Energy: 1.3900094302355752
Energy: 1.4575889652593934
Energy: 1.4769585823431886
Energy: 1.8637537489553095
Energy: 1.469232152730555
Energy: 1.4526047946113698
Energy: 1.4548434846365947
Energy: 1.4735365197734036
Energy: 1.467828583368545
Energy: 1.8341234507896265
Energy: 1.4701104401900291
Energy: 1.4806238823199063
Energy: 1.4513221319158731
Energy: 1.4706919163283687
Energy: 1.4708968519314285
Energy: 1.7845570447478745
Energy: 1.4795846728975552
Energy: 1.4713831079826285
Energy: 1.4497958903232744
Energy: 1.4772635001019492
Energy: 1.4832569830058413
Energy: 1.9519687572267361
Energy: 1.456996045979302
Energy: 1.4681383959530665
Energy: 1.4807249359315915
Energy: 1.4707292269352836
Energy: 1.4485206171940879
Energy: 1.7711285211861238
Energy: 1.451325485733429
Energy: 1.4477214947443922
Energy: 1.4749899818582137
Energy: 1.4483702204472002
Energy: 1.451353553428066
Energy: 1.9973428834722426
Energy: 1.4461835559414626
Energy: 1.4467520824829374
Energy: 1.4596080937507012
Energy: 1.4461181766499307
Energy: 1.4512894761836506
Energy: 1.6155922248500965
Energy: 1.4021218162773312
Energy: 1.446734261951433
Energy: 1.459218557038736
Energy: 1.4465393543860128
Energy: 1.3594413624246722
Energy: 1.5791259688687858
Energy: 1.3583451011730334
Energy: 1.402993489022841
Energy: 1.468726520644908
Energy: 1.4152514186627811
Energy: 1.3585114494997483
Energy: 1.5785172833389138
Energy: 1.3647575117373807
Energy: 1.432154141659843
Energy: 1.449591331573527
Energy: 1.3648322170840512
Energy: 1.3674519174278448
Energy: 1.3368663770543807
Energy: 1.36028754108661
Energy: 1.4139255656367933
Energy: 1.474844780471473
Energy: 1.360764188759771
Energy: 1.3659242781544663
Energy: 1.3142234549387906
Energy: 1.2954159672038563
Energy: 1.4308630815502374
Energy: 1.4336353610254449
Energy: 1.364883051369949
Energy: 1.295258128837408
Energy: 1.3464126615881744
Energy: 1.1101588605215715
Energy: 1.2969488511568121
Energy: 1.4686440690455653
Energy: 1.1146715708584327
Energy: 1.11018070665901
Energy: 1.3224274257843154
Energy: 1.2924642669029076
Energy: 1.3484374776022394
Energy: 1.4284691189953524
Energy: 1.3468766712372389
Energy: 1.29274071732919
Energy: 1.1946363814052434
Energy: 1.181370515306666
Energy: 1.3486836212354016
Energy: 1.4284734586755408
Energy: 1.3475963032548406
Energy: 1.1814141042872452
Energy: 1.1905174424102989
Energy: 1.1095251630322822
Energy: 1.2994345678340244
Energy: 1.4716206095602153
Energy: 1.1106483404941
Energy: 1.109522907493395
Energy: 1.191723900146356
Energy: 1.184593880518322
Energy: 1.4301672069205427
Energy: 1.4497775945403923
Energy: 1.2097243071016812
Energy: 1.1852409287835142
Energy: 1.2794378611981783
Energy: 1.1993862264162811
Energy: 1.3724458099649561
Energy: 1.4671395779243779
Energy: 1.1993888820676235
Energy: 1.199442009566568
Energy: 1.295320260310775
Energy: 1.2134628716139215
Energy: 1.4156660953152327
Energy: 1.4528533030548574
Energy: 1.2116786739371186
Energy: 1.184347413794496
Energy: 1.2682870142853093
Energy: 1.1979433922039155
Energy: 1.2081965696025954
Energy: 1.4671224269597538
Energy: 1.2010748582451378
Energy: 1.1984375214638407
Energy: 1.2843488160877257
Energy: 1.2331961641957838
Energy: 1.3890832875528742
Energy: 1.4761644449102183
Energy: 1.3891455313797776
Energy: 1.2198233182586529
Energy: 1.5618220002085512
Energy: 1.3892000180552497
Energy: 1.3892448716964192
Energy: 1.4417181250284434
Energy: 1.3885167165822607
Energy: 1.3894628760230425
Energy: 1.6326680552850374
Energy: 1.3921448859560235
Energy: 1.4329908955741881
Energy: 1.4673404096548335
Energy: 1.3916030651070925
Energy: 1.3948855784061787
Energy: 1.5662988966234148
Energy: 1.390204943026762
Energy: 1.4510167989908338
Energy: 1.4514508720993589
Energy: 1.4511365339507876
Energy: 1.3988373040071223
Energy: 1.5594591891908727
Energy: 1.4558178660391723
Energy: 1.453105833456489
Energy: 1.4739537620968177
Energy: 1.4523455658843856
Energy: 1.452254154728549
Energy: 1.826773196164044
Energy: 1.4605614304713037
Energy: 1.464747683272513
Energy: 1.4698320704178909
Energy: 1.464699710126121
Energy: 1.4586520081308572
Energy: 1.9538849873830952
Energy: 1.4524208871541266
Energy: 1.472502508156346
Energy: 1.4725569427771579
Energy: 1.4781338271837807
Energy: 1.4524231209093024
Energy: 1.878972092942906
Energy: 1.4703432448258729
Energy: 1.4713121787223795
Energy: 1.4400614863296
Energy: 1.476306490067176
Energy: 1.4733994117124198
Energy: 1.7383761751266733
Energy: 1.4699197231573717
Energy: 1.469259455719007
Energy: 1.469237174330362
Energy: 1.4723302750560223
Energy: 1.4692988346783928
Energy: 2.346255747695658
Energy: 1.4703414544699196
Energy: 1.4734127011504767
Energy: 1.4586848230667018
Energy: 1.4730064307849122
Energy: 1.4696649619386601
Energy: 2.115520213776483
Energy: 1.4741447434509554
Energy: 1.4538221912780904
Energy: 1.4525138523793393
Energy: 1.454271752766735
Energy: 1.4736892175266918
Energy: 2.1597419232729886
Energy: 1.4553284367892818
Energy: 1.4593370611671712
Energy: 1.4071383956064456
Energy: 1.4606241110495628
Energy: 1.4224045262674234
Energy: 2.1392388344722475
Energy: 1.455440645534542
Energy: 1.4632969774017495
Energy: 1.4222232869926312
Energy: 1.4631121181216795
Energy: 1.4676319264244062
Energy: 2.1530946708014747
Energy: 1.455036214623459
Energy: 1.396131065071216
Energy: 1.3957066128608524
Energy: 1.3957813989427221
Energy: 1.4557256941171768
Energy: 2.1605406690728306
Energy: 1.3457445195792963
Energy: 1.287601235980464
Energy: 1.2384773178316053
Energy: 1.2866562705404199
Energy: 1.4171093946979132
Energy: 2.012049904136245
Energy: 1.3955925586285958
Energy: 1.3978340870860693
Energy: 1.3989628407027084
Energy: 1.3946051122032432
Energy: 1.4129024705571271
Energy: 2.018341619880842
Energy: 1.3950900120352365
Energy: 1.2484065249725154
Energy: 1.2583615594008641
Energy: 1.2898642976811996
Energy: 1.4131288849970944
Energy: 2.3051862327020882
Energy: 1.3543581649001308
Energy: 1.234498478998699
Energy: 1.2361066237327196
Energy: 1.2340606743784501
Energy: 1.4093225750223966
Energy: 2.380644901329955
Energy: 1.181251480863803
Energy: 1.245544394468749
Energy: 1.1205200193954958
Energy: 1.246079369903988
Energy: 1.2869298029169807

minimum gb energy = 1.109522907493395 eV
minimum distance =  2.57988776342891 Angstroms
sigma value = 81


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

Energy: 2.323204730521071
Energy: 1.3983766288899595
Energy: 1.2475082822892267
Energy: 1.4474554714970347
Energy: 1.2392101606138148
Energy: 1.6636063727008517
Energy: 1.6271274395757662
Energy: 1.5609105791297846
Energy: 1.2310453770289538
Energy: 1.231892132343268
Energy: 1.2309928243393138
Energy: 1.6093858681394058
Energy: 1.626942567431601
Energy: 1.3957278806888191
Energy: 1.2336257864664177
Energy: 1.2336367689559373
Energy: 1.234207940608476
Energy: 1.6237870790872375
Energy: 1.6277940779223703
Energy: 1.3941522305302683
Energy: 1.2346295983995688
Energy: 1.236637051067159
Energy: 1.2350574680851913
Energy: 1.6061545941279214
Energy: 1.6259193588602279
Energy: 1.3948259334764728
Energy: 1.3939441006501505
Energy: 1.3953678298289396
Energy: 1.3940311377859946
Energy: 1.6056413449210187
Energy: 1.6252271531096134
Energy: 1.5595526324707376
Energy: 1.2314606547400222
Energy: 1.2300487318315982
Energy: 1.231265816027746
Energy: 1.68847880900895
Energy: 1.6533946763624352
Energy: 1.60832900009703
Energy: 1.39618840067599
Energy: 1.3978126455741604
Energy: 1.3969271021135243
Energy: 1.6084119523361793
Energy: 1.6244220721809737
Energy: 1.6117700527425916
Energy: 1.6101161729458473
Energy: 1.4232509731495957
Energy: 1.6113273371026557
Energy: 1.6322615068998962
Energy: 1.653462260198018
Energy: 1.6244301880219483
Energy: 1.6160595753701774
Energy: 1.2243023023943054
Energy: 1.6107910970966748
Energy: 1.616063428931756
Energy: 1.6243465468775162
Energy: 1.6572789875147262
Energy: 1.6074672543071695
Energy: 1.4724666624282825
Energy: 1.607394414207462
Energy: 1.6583319641265943
Energy: 1.6248149297052652
Energy: 1.6556845108779714
Energy: 1.6359500380016874
Energy: 1.663357057801415
Energy: 1.6557065438091692
Energy: 1.6562902971942037
Energy: 1.6238661870850326
Energy: 1.6545066057907767
Energy: 1.6546696923900521
Energy: 1.5549021512346821
Energy: 1.6565176121663345
Energy: 1.6546866945797476
Energy: 1.8916294172442436
Energy: 1.6547643052072056
Energy: 1.6557907614714105
Energy: 1.5545241285611726
Energy: 1.6588460254989814
Energy: 1.608139888973926
Energy: 1.6249347881259506
Energy: 1.6088154674828592
Energy: 1.6586992237934244
Energy: 1.6970547297619103
Energy: 1.6357254605876783
Energy: 1.609244443941315
Energy: 1.6240766365369843
Energy: 1.6105742401809573
Energy: 1.6241061155206988
Energy: 1.6970267930212057
Energy: 1.6247863172901547
Energy: 1.4638053478794348
Energy: 1.4225412762718321
Energy: 1.6101026517674943
Energy: 1.651182429717872
Energy: 1.557864082209172
Energy: 1.6110976926627092
Energy: 1.6250964276781885
Energy: 1.4221856202245544
Energy: 1.3967864420909086
Energy: 1.6080550854910218
Energy: 1.7011703298147014
Energy: 1.6081638055760956
Energy: 1.396353995297216
Energy: 1.4538112731392534
Energy: 1.230752325210609
Energy: 1.5599539282447388
Energy: 1.6615611677815516
Energy: 1.5590490125928123
Energy: 1.2303068171229685
Energy: 1.4246806158008813
Energy: 1.3941217986145662
Energy: 1.554278415893753
Energy: 1.6459211267114522
Energy: 1.394233725328525
Energy: 1.3939777233597292
Energy: 1.2350355203783911
Energy: 1.235210199470715
Energy: 1.5538654585173226
Energy: 1.684272315045177
Energy: 1.394051498323933
Energy: 1.2346031363775476
Energy: 1.2360265961087025
Energy: 1.2368463366852356
Energy: 1.5605092582369726
Energy: 1.6550714644104765
Energy: 1.396224027432348
Energy: 1.2336555028458651
Energy: 1.2317455510883328
Energy: 1.2315352828145634
Energy: 1.6113501411279025
Energy: 1.655874042544682
Energy: 1.2313365255294355
Energy: 1.2316392320027352
Energy: 1.2467197643670944
Energy: 1.3961306734355317
Energy: 1.6209679749260764
Energy: 1.6083185234434159
Energy: 1.4021207886686207
Energy: 1.2451566197802881
Energy: 1.4232301744133662
Energy: 1.231697965235001
Energy: 1.6254862528706946
Energy: 1.6553880940532593
Energy: 1.2306264158035025
Energy: 1.2320943154068302
Energy: 1.4225563573977487
Energy: 1.3940360409451096
Energy: 1.623520485211909
Energy: 1.6732727859317675
Energy: 1.3959369667857469
Energy: 1.3938085661572464
Energy: 1.435709451149896
Energy: 1.4713784169911872
Energy: 1.6082107850573577
Energy: 1.633487643193105
Energy: 1.6085449556541425
Energy: 1.3974728566095413
Energy: 1.6289446718606504
Energy: 1.6075523171821358
Energy: 1.607920436448873
Energy: 1.6341766080031468
Energy: 1.6076470478094242
Energy: 1.608796847075379
Energy: 1.6555613138159913
Energy: 1.6098698351253704
Energy: 1.607615570586331
Energy: 1.6964302370767708
Energy: 1.6095743226348886
Energy: 1.6138435564377427
Energy: 1.6264708089608562
Energy: 1.6103252211408372
Energy: 1.654238134707201
Energy: 1.6552614277231532
Energy: 1.6568465502439926
Energy: 1.6089911063591165
Energy: 1.6525244577416098
Energy: 1.67205961387035
Energy: 1.6575058047256777
Energy: 1.39743688784982
Energy: 1.655113808162838
Energy: 1.6716099223873402
Energy: 1.615136707314495
Energy: 1.6567244173438946
Energy: 1.6568551192034615
Energy: 1.6641406447947809
Energy: 1.6566273862640424
Energy: 1.6503162137982004
Energy: 1.6535638652797593
Energy: 1.6539735397321782
Energy: 1.6095318534161775
Energy: 1.6090586640464717
Energy: 1.6095530789218238
Energy: 1.654673718574584
Energy: 1.6245501811841778
Energy: 1.6081604524253668
Energy: 1.6112706408770505
Energy: 1.396188366429096
Energy: 1.6085596749362885
Energy: 1.65471482096248
Energy: 1.6228915867786315
Energy: 1.6073196969852375
Energy: 1.6065729258072747
Energy: 1.396026942411707
Energy: 1.6068830582762978
Energy: 1.646287398775134
Energy: 1.6175919594286405
Energy: 1.6082644142858744
Energy: 1.3956760297643538
Energy: 1.4323647217030264
Energy: 1.6081899619611997
Energy: 1.648434962452251
Energy: 1.6298519813251868
Energy: 1.623221981626322
Energy: 1.3937098456281298
Energy: 1.395158497725731
Energy: 1.3936982526181572
Energy: 1.6233961404262314
Energy: 1.6519153490631218
Energy: 1.396513017046555
Energy: 1.2307299436483325
Energy: 1.2307765683029641
Energy: 1.231423969806856
Energy: 1.6247775318885704
Energy: 2.1257694050332563
Energy: 1.3966433924080914
Energy: 1.3955192556474247
Energy: 1.2476907889869249
Energy: 1.3957394601192405
Energy: 1.6519372536460712

minimum gb energy = 1.2243023023943054 eV
minimum distance =  2.62572042480365 Angstroms
sigma value = 43


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

Energy: 2.918665647126096
Energy: 1.3175362804251192
Energy: 1.3305387991780935
Energy: 1.5446700565951785
Energy: 1.3117610446127228
Energy: 1.8090678922426278
Energy: 1.8208855858160775
Energy: 1.714542960213955
Energy: 1.3065453325117333
Energy: 1.3068712091533754
Energy: 1.3066475687161794
Energy: 1.7619806957951851
Energy: 1.8189800500947086
Energy: 1.7128389124959067
Energy: 1.309895305756024
Energy: 1.3112343329228504
Energy: 1.3096038687139264
Energy: 1.780377872507628
Energy: 1.8178308139708452
Energy: 1.5136698360976162
Energy: 1.3122754343553973
Energy: 1.3112196634884277
Energy: 1.3125585116295364
Energy: 1.7591335919504651
Energy: 1.8179337051082451
Energy: 1.31040366702433
Energy: 1.5133922316728425
Energy: 1.3102811116265198
Energy: 1.3103928298947742
Energy: 1.758506590963506
Energy: 1.8184898539652719
Energy: 1.712241779754752
Energy: 1.3073472148334822
Energy: 1.306367352486125
Energy: 1.3072171734367932
Energy: 1.8422939721581222
Energy: 1.8206144484164521
Energy: 1.7615266718838751
Energy: 1.5161838047824856
Energy: 1.5148297229845518
Energy: 1.516283960048656
Energy: 1.7608507791993302
Energy: 1.8896962294373958
Energy: 1.7655659883318537
Energy: 1.787087843688248
Energy: 1.5694581290471867
Energy: 1.7630176232033734
Energy: 1.76267830202364
Energy: 1.81960987412809
Energy: 1.7825878161990714
Energy: 1.7610819579630577
Energy: 1.3015659546535812
Energy: 1.762122437271759
Energy: 1.7621643097953634
Energy: 1.8197239692329945
Energy: 1.7622666208530968
Energy: 1.7650920312486786
Energy: 1.3102593130703295
Energy: 1.761459087974403
Energy: 1.7616742075700247
Energy: 1.8187100231429874
Energy: 1.7643437666553008
Energy: 1.7629479393792096
Energy: 1.7937178378711522
Energy: 1.7622478694532888
Energy: 1.762170237398122
Energy: 1.8194915673238004
Energy: 1.7609230057742133
Energy: 1.7611958874022926
Energy: 1.7643311811054276
Energy: 1.760515620534507
Energy: 1.76978344380906
Energy: 1.560112814169012
Energy: 1.596037637475396
Energy: 1.7891890528405452
Energy: 1.7079878106260231
Energy: 1.762768596134943
Energy: 1.3092324793550885
Energy: 1.5596502996832513
Energy: 1.5132825814554307
Energy: 1.7807728945347834
Energy: 1.7562447172867925
Energy: 1.7154630952284087
Energy: 1.5134145505834682
Energy: 1.5587088582286515
Energy: 1.3075501541635546
Energy: 1.7187672256761661
Energy: 1.7707504858933518
Energy: 1.3068231447303236
Energy: 1.3069198562998476
Energy: 1.302742134033913
Energy: 1.5160978809393333
Energy: 1.7075741737347958
Energy: 1.7062536223271974
Energy: 1.5164305503692104
Energy: 1.518294280224711
Energy: 1.30664540015281
Energy: 1.3064652190222992
Energy: 1.7630022458141423
Energy: 1.3218490614783454
Energy: 1.3081812342478047
Energy: 1.306402836572072
Energy: 1.3078150435777876
Energy: 1.3080753574177293
Energy: 1.7128875939230446
Energy: 1.7977300282413928
Energy: 1.3075685690358663
Energy: 1.3080492086341007
Energy: 1.3123525293973883
Energy: 1.3108582334290657
Energy: 1.3103656507429056
Energy: 1.7848360404600558
Energy: 1.513485858022968
Energy: 1.3105188314418044
Energy: 1.5602396054648704
Energy: 1.5135379182625923
Energy: 1.5135592295981888
Energy: 1.7586830931177735
Energy: 1.5133937111835816
Energy: 1.513728423514841
Energy: 1.6018293443864122
Energy: 1.3068298201540158
Energy: 1.7132507249937032
Energy: 1.760985298006462
Energy: 1.3069662195629708
Energy: 1.3071223098409326
Energy: 1.5579464366376348
Energy: 1.5152167733552355
Energy: 1.7618448677921952
Energy: 1.7821509401308402
Energy: 1.7618782156526438
Energy: 1.515401016716537
Energy: 1.5699940062108764
Energy: 1.7619758942087147
Energy: 1.7820612167237926
Energy: 1.5120905645601244
Energy: 1.7810672544107196
Energy: 1.3106582618285865
Energy: 1.8094904908889036
Energy: 1.76627310846735
Energy: 1.7646991080678518
Energy: 1.7954320234163457
Energy: 1.7632929044028747
Energy: 1.7163432271983088
Energy: 1.8198126457451138
Energy: 1.7601121853199142
Energy: 1.7657052476745467
Energy: 1.7942789996641912
Energy: 1.7617745561754465
Energy: 1.76995690909045
Energy: 1.8181058239084604
Energy: 1.7608783219049076
Energy: 1.7623306584695402
Energy: 1.3075652593281528
Energy: 1.7621902739835822
Energy: 1.7625314769477844
Energy: 1.8098836624980799
Energy: 1.7610232006781323
Energy: 1.7616384911675222
Energy: 1.308032194636891
Energy: 1.7611603473886057
Energy: 1.760795266839758
Energy: 1.8093089263655318
Energy: 1.7639255825616011
Energy: 1.3120237001184822
Energy: 1.5599906754664283
Energy: 1.762822304132192
Energy: 1.8140975904874537
Energy: 1.819908757816819
Energy: 1.7616954276955508
Energy: 1.5135508208384056
Energy: 1.3110632650279461
Energy: 1.513526090690738
Energy: 1.7819591888312016
Energy: 1.8195567538075246
Energy: 1.7165031435613856
Energy: 1.3070617732516376
Energy: 1.307848198890137
Energy: 1.3065877991024613
Energy: 1.781214555311253
Energy: 1.8108147296321637
Energy: 1.5156924370730522
Energy: 1.515322316289242
Energy: 1.3027294095543882
Energy: 1.5153022664565774
Energy: 1.7067496311221153

minimum gb energy = 1.3015659546535812 eV
minimum distance =  2.56696267389458 Angstroms
sigma value = 57


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

Energy: 2.264766665056667
Energy: 1.409847181698743
Energy: 1.4074901633225645
Energy: 1.4068043611660774
Energy: 1.9182240567116684
Energy: 1.936915768436007
Energy: 1.405767172116664
Energy: 1.6823872124356019
Energy: 1.404050802083268
Energy: 1.4053120231022456
Energy: 1.4044167317251617
Energy: 1.945422696357653
Energy: 1.4108408465944895
Energy: 1.7006232400941597
Energy: 1.4106070661559211
Energy: 1.4114204621573432
Energy: 1.4072743265207506
Energy: 1.9582800676258838
Energy: 1.4018540839278115
Energy: 1.4065864889932795
Energy: 1.4105287462641016
Energy: 1.4058010490359683
Energy: 1.4104372869721453
Energy: 1.9337286158641926
Energy: 1.4023098015670354
Energy: 1.406533615862327
Energy: 1.4073280210091041
Energy: 1.4069472900690965
Energy: 1.4063132991140237
Energy: 1.731134148353184
Energy: 1.4045838636716212
Energy: 1.9370471377990102
Energy: 1.407505242289891
Energy: 1.404414479849223
Energy: 1.6841103901299026
Energy: 1.957891941353255
Energy: 1.4045467283872257
Energy: 1.9407948057409579
Energy: 1.6770737726756446
Energy: 1.4069981160577543
Energy: 1.4069098192861833
Energy: 1.7358311200145151
Energy: 1.4026991106867492
Energy: 1.9393089751159367
Energy: 1.9576962231451427
Energy: 1.4085023331124822
Energy: 1.955957624691036
Energy: 1.9401965814589324
Energy: 1.4073537505565492
Energy: 1.9450583998853335
Energy: 1.9218237119187167
Energy: 1.4002801943991736
Energy: 1.9386539843023032
Energy: 1.9570237114039482
Energy: 1.407262828180476
Energy: 1.4071672628398704
Energy: 1.9430171455709495
Energy: 1.3980862190116106
Energy: 1.9391198461460275
Energy: 1.4062679823108333
Energy: 1.4073812635956957
Energy: 1.6814327757947456
Energy: 1.9544201460518393
Energy: 1.6932960419788137
Energy: 1.406372579960691
Energy: 1.4080539562732481
Energy: 1.40574713410825
Energy: 1.4068113415969583
Energy: 1.406505660130928
Energy: 1.7391269475800484
Energy: 1.4064565655820471
Energy: 1.4064343030517878
Energy: 1.4031188653977666
Energy: 1.412517767118596
Energy: 1.9178668870479416
Energy: 1.918721116905089
Energy: 1.4069620053439063
Energy: 1.412396351379753
Energy: 1.409702617258537
Energy: 1.410884081065444
Energy: 1.9287095628986346
Energy: 1.4075078177780787
Energy: 1.411944347941873
Energy: 1.4105289221952968
Energy: 1.4046238726933422
Energy: 1.4038977058767959
Energy: 1.929262720375462
Energy: 1.412865260291067
Energy: 1.6837825654763428
Energy: 1.4040776514394206
Energy: 1.4052686991536616
Energy: 1.4060912257265592
Energy: 1.9351903336903558
Energy: 1.6760716795852229
Energy: 1.4075042446698696
Energy: 1.4062563500088203
Energy: 1.4082278723033985
Energy: 1.4067542550240046
Energy: 1.6826970755688064
Energy: 1.410056861743044
Energy: 1.6809793049701964
Energy: 1.6798394661915967
Energy: 1.4076311368475183
Energy: 1.4062822215739645
Energy: 1.939203336497674
Energy: 1.6921087732600144
Energy: 1.4060560666949211
Energy: 1.407025739900021
Energy: 1.407363932719499
Energy: 1.73523408407827
Energy: 1.938810783469729
Energy: 1.7335538738765077
Energy: 1.9419362731800942
Energy: 1.407489952069498
Energy: 1.4042231616419125
Energy: 1.9445990623343006
Energy: 1.938707456676666
Energy: 1.7340629695204375
Energy: 1.9399128290662997
Energy: 1.7357374966684593
Energy: 2.2656583410526907
Energy: 1.9398307920835545
Energy: 1.7493590918636528
Energy: 1.4366074284996695
Energy: 1.9398049454567692
Energy: 1.923320447878504
Energy: 1.4055546468533324
Energy: 1.9436500227583948
Energy: 1.4066216807083083
Energy: 1.4084665023962493
Energy: 1.40697222657786
Energy: 1.9458287882133718
Energy: 1.4069925651192166
Energy: 1.9279524986054686
Energy: 1.405998315255167
Energy: 1.4082966198426865
Energy: 1.7028041616168252
Energy: 1.9627278876043606
Energy: 1.4005244917028887
Energy: 1.4068196558731478
Energy: 1.6762937582917354
Energy: 1.4061846054318972
Energy: 1.4071529750967715
Energy: 1.918726976371082

minimum gb energy = 1.3980862190116106 eV
minimum distance =  2.57295858776745 Angstroms
sigma value = 17


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

Energy: 3.150298669499525
Energy: 1.5039745676064449
Energy: 1.5067741874559377
Energy: 1.5093129455243857
Energy: 1.5075623107119578
Energy: 2.147927578332177
Energy: 1.5288013113334504
Energy: 1.8754545305304486
Energy: 1.5060852071267854
Energy: 1.5097099129323381
Energy: 1.5056790119413703
Energy: 1.5041840380316889
Energy: 1.5074416178286023
Energy: 1.8759151185393639
Energy: 1.4990352888644796
Energy: 1.5043434946067968
Energy: 1.499221998459584
Energy: 1.8558374645218143
Energy: 1.5226884901935214
Energy: 1.8570141366078663
Energy: 1.5030129282842617
Energy: 1.5039533537396839
Energy: 1.5028422090456464
Energy: 1.8614610787474655
Energy: 1.5219620416686168
Energy: 1.6651779420913744
Energy: 1.5094326076778979
Energy: 1.53109661323531
Energy: 1.8564323500712578
Energy: 1.6652042081023288
Energy: 1.5076507171138949
Energy: 1.6532418435659177
Energy: 1.8747626924125549
Energy: 1.4959483923966244
Energy: 1.874967268832711
Energy: 1.8579872945064828
Energy: 1.5318147142098437
Energy: 1.510006075514056
Energy: 1.8575678078621192
Energy: 1.5296502445148563
Energy: 1.6665818863950808
Energy: 1.5105847848643152
Energy: 1.5082909475986384
Energy: 1.8763533873086937
Energy: 1.876216198234296
Energy: 1.5283707904351842
Energy: 1.8744526332973042
Energy: 1.8753808289571128
Energy: 1.5307676426440973
Energy: 1.8569631367136272
Energy: 2.1378736810059618
Energy: 1.4985058118656256
Energy: 1.8581153322024142
Energy: 1.5286168566758502
Energy: 1.514015587072303
Energy: 1.508767652103954
Energy: 1.666753332833598
Energy: 1.5400570050662217
Energy: 1.8553696314669756
Energy: 1.5089478562976681
Energy: 1.5010837778342783
Energy: 1.4989682031301579
Energy: 2.1452394174540657
Energy: 1.5087985553290912
Energy: 1.4986178325573847
Energy: 1.4989911481061526
Energy: 1.5057725515637632
Energy: 1.5117761870626378
Energy: 1.6526460395861324
Energy: 1.4981784888607117
Energy: 1.8567478907247277
Energy: 1.5112442308336644
Energy: 1.5298966549300592
Energy: 1.8571057402441442
Energy: 1.860943957423633
Energy: 1.4958475377447211
Energy: 1.857602282235433
Energy: 1.52824552092978
Energy: 1.4932466311680295
Energy: 1.8777301067620644
Energy: 1.6539034767645462
Energy: 1.5297052252053163
Energy: 1.877802886105743
Energy: 1.4930799013861302
Energy: 1.530625279686976
Energy: 1.8784749446642386
Energy: 1.856914755040028
Energy: 1.5291635738837628
Energy: 1.664704975046341
Energy: 1.5111926328977543
Energy: 1.5073764690201856
Energy: 1.6531645763103147
Energy: 1.8774858447089862
Energy: 1.50062486871702
Energy: 1.8756905620540343
Energy: 1.5076795280025654
Energy: 1.4947548501011487
Energy: 1.855351107677262
Energy: 1.5102778816862756
Energy: 1.529054286832663
Energy: 1.8561397711617444
Energy: 1.5021200346807853

minimum gb energy = 1.4930799013861302 eV
minimum distance =  2.62107404179535 Angstroms
sigma value = 17


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

Energy: 3.646896503914831
Energy: 1.5657089860541205
Energy: 1.562792653995461
Energy: 1.562284019172413
Energy: 1.562887698878802
Energy: 1.5750572041303776
Energy: 1.5637207984084385
Energy: 1.571286950293323
Energy: 1.5711109126039038
Energy: 1.5790336360080581
Energy: 1.57141766452354
Energy: 1.5680470763282564
Energy: 1.5629358494424592
Energy: 1.8184343914034502
Energy: 1.5718532295218217
Energy: 1.5753637974804404
Energy: 1.5716873247370444
Energy: 1.889052831990026
Energy: 1.8292814138890925
Energy: 2.1508458625592155
Energy: 1.571832842169199
Energy: 1.5690976488978732
Energy: 1.5735564367535098
Energy: 2.1508168314389557
Energy: 1.56321839123728
Energy: 1.8150027845438612
Energy: 1.815232757642554
Energy: 1.575538358959957
Energy: 1.8123088170313668
Energy: 1.8156302115108018
Energy: 1.5664254009366234
Energy: 1.575491261125788
Energy: 2.076851294137782
Energy: 1.503757582190504
Energy: 1.8154040099066433
Energy: 1.5729563866853995
Energy: 1.5818439181122574
Energy: 1.5718248396880137
Energy: 1.8190480758388274
Energy: 1.566020712869559
Energy: 1.5684572185032584
Energy: 1.5721261291759476
Energy: 1.5739686635579477
Energy: 1.5719223406927403
Energy: 1.5695208231941273
Energy: 1.5637365990323446
Energy: 1.5711868708859016
Energy: 1.5715584829356206
Energy: 1.5626958724422961
Energy: 1.5658737849661173
Energy: 1.8306831308721698
Energy: 1.8177087015428612
Energy: 1.5671946452494803
Energy: 1.5659097456389932
Energy: 1.8964972014193202
Energy: 1.5709464076710635
Energy: 1.5694001338024324
Energy: 1.668744912626933
Energy: 1.5695249326555358
Energy: 1.5722462194388909
Energy: 1.888801435651331
Energy: 1.5687472310489001
Energy: 1.5055027582895557
Energy: 1.568022771698732
Energy: 1.5718060242252703
Energy: 1.5691190780347417
Energy: 1.899597564309137
Energy: 1.5670417010847935
Energy: 1.886247504025088
Energy: 1.5067937593342913
Energy: 1.8308647319208258
Energy: 1.5660502607470697
Energy: 1.6742800262713675
Energy: 1.8738199464396024
Energy: 1.8846853288834367
Energy: 1.5011588287774387
Energy: 1.8833698376609678
Energy: 1.5745029366413277
Energy: 1.4981906216022682
Energy: 1.503820671101376
Energy: 1.5025943818222092
Energy: 1.5012074359213685
Energy: 1.5065170747258891
Energy: 2.0734634387979205
Energy: 1.918599737575368
Energy: 1.5006995051370395
Energy: 1.5045572395877687
Energy: 1.5119407797702271
Energy: 1.50509075036431
Energy: 1.8295299935579246
Energy: 1.6794842524334987
Energy: 1.5015796088051168
Energy: 1.5025183960880437
Energy: 1.5032791295114911
Energy: 1.5024440664083336
Energy: 1.5307390297268773
Energy: 1.829440404593913
Energy: 1.8303155532774686
Energy: 1.5043533454902038
Energy: 1.5132167538580477
Energy: 1.5042836344768955
Energy: 1.8202531527056018
Energy: 1.8277572463028016
Energy: 1.829704384439958
Energy: 1.5048499423809647
Energy: 1.839823426748191
Energy: 1.5049901035805333
Energy: 1.8197816192429217
Energy: 1.6041757040083489
Energy: 1.6911819351902984
Energy: 1.8305825658500952
Energy: 1.5048133357991866
Energy: 1.853080417805059
Energy: 1.5688098825106902
Energy: 1.8934094389711202
Energy: 1.5711017080212175
Energy: 1.5035637697642095
Energy: 1.5324094295478448
Energy: 1.8306088766983084
Energy: 1.5734218921010217
Energy: 1.8914347766050175
Energy: 1.5690159848314646
Energy: 1.8149296156183483
Energy: 1.5679277185329936
Energy: 1.5690462521717308
Energy: 1.5696418878964182
Energy: 1.5922095785607067
Energy: 1.565866046517331
Energy: 1.4991160260463197
Energy: 2.090291266836544
Energy: 1.5664355600933009
Energy: 1.5665421789885436
Energy: 1.5676254746461815
Energy: 1.5728528114738378
Energy: 1.5701778586232111
Energy: 1.6222599798369626
Energy: 1.5735174747200322
Energy: 1.572343763820341
Energy: 1.568453316182392
Energy: 1.5701051180382806
Energy: 1.6257264462471808
Energy: 1.5666291470855578
Energy: 1.5700960090319092
Energy: 1.5701744171493108
Energy: 1.562345353837717
Energy: 1.5683877907933474
Energy: 1.8150552166160718
Energy: 1.5039635591547365
Energy: 1.8159297511927188
Energy: 1.5671378634405098
Energy: 1.5662855632838957
Energy: 1.819602640048986
Energy: 2.144766018909262
Energy: 1.5047453353996187
Energy: 1.8134697297496234
Energy: 1.5726413330044624
Energy: 1.5050614242689868
Energy: 1.8109524098934757
Energy: 1.5693267171130205
Energy: 1.5645748364631467
Energy: 1.8191761490162832
Energy: 2.1986192708638406
Energy: 1.501095515557094
Energy: 1.9060285672089983
Energy: 1.5668092962882372
Energy: 1.5713302833197804
Energy: 1.5676147786187822
Energy: 1.8179755234789061
Energy: 1.5663638642235294
Energy: 1.5701021740662953
Energy: 1.5702121724142843
Energy: 1.570015807719025
Energy: 1.5698264820313301
Energy: 1.5020503123986506
Energy: 1.8338390798798052
Energy: 1.5700346420343612
Energy: 1.5736915770177071
Energy: 1.5738623778132124
Energy: 1.5745702219201798
Energy: 1.8281855334122594
Energy: 1.8334339153797208
Energy: 1.5626747651142319
Energy: 1.5650682060395915
Energy: 1.5929368731284534
Energy: 1.5745092100283071
Energy: 1.828633417987383
Energy: 1.5756553437958218
Energy: 1.5691659859849
Energy: 1.569086524776059
Energy: 1.5709543296609372
Energy: 1.5690240749758633
Energy: 1.5055402433290135
Energy: 1.839711905634593
Energy: 1.8846639952027642
Energy: 1.572745226953798
Energy: 1.571850168168115
Energy: 1.571697646296851
Energy: 1.503057286027231
Energy: 1.8286868291992595
Energy: 1.8550153429782041
Energy: 1.5618911509874218
Energy: 1.680933988541492
Energy: 1.8539874049694187
Energy: 1.5034093801234132
Energy: 1.5050465491631888
Energy: 1.5057634144479786
Energy: 2.0785909055720353
Energy: 1.4992898803964432
Energy: 1.8303544462868544
Energy: 1.5024624054404903
Energy: 1.503533280331259
Energy: 1.5022537460748662
Energy: 1.8293314343726184
Energy: 1.504937630784446
Energy: 1.5056577431815708
Energy: 1.507048168191904
Energy: 1.503324032157505
Energy: 1.5023299525119143
Energy: 1.5000127017317424
Energy: 1.6800572740878628
Energy: 1.5023135920818729
Energy: 1.5026305575799206
Energy: 1.5120659728039514
Energy: 1.5054870835267373
Energy: 1.8295794027015349
Energy: 1.5724337189119881
Energy: 1.5040308693508166
Energy: 1.5051876613958592
Energy: 1.5011273070115805
Energy: 1.5050268109864056
Energy: 2.0830957559653682
Energy: 1.8187292015424044
Energy: 1.5036887592027048
Energy: 1.5042323074233126
Energy: 2.1349847148847534
Energy: 1.8859152857006043
Energy: 1.5046741776519337
Energy: 1.6734371165978668
Energy: 1.500341246868013
Energy: 1.883318676761601
Energy: 1.848294376703603
Energy: 1.8842572775287711
Energy: 1.567338649060451
Energy: 1.8786290351672683
Energy: 1.5657305986712424
Energy: 1.5034277090601438
Energy: 1.843826447580361
Energy: 1.570237399536059
Energy: 1.5690481302356492
Energy: 1.57073682203007
Energy: 1.5688511744634412
Energy: 1.5064459908219368
Energy: 1.8994843179964742
Energy: 1.5702020410677875
Energy: 1.572499705482696
Energy: 1.5793539821311997
Energy: 1.5714564509218203
Energy: 1.4980801231159764

minimum gb energy = 1.4980801231159764 eV
minimum distance =  2.6058841308565 Angstroms
sigma value = 57


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

Energy: 2.6674958099784503
Energy: 1.5678921293413952
Energy: 1.5768756181887742
Energy: 1.8315099368181265
Energy: 1.5716023214637431
Energy: 1.5002961483665824
Energy: 1.5857337924050239
Energy: 1.5680814852146696
Energy: 1.5678502557025724
Energy: 1.5778264222973724
Energy: 1.5683120019262065
Energy: 1.570893758972684
Energy: 1.6038504570905188
Energy: 1.5785313081432453
Energy: 1.5658331139563861
Energy: 1.5707560312594422
Energy: 1.5658013559874362
Energy: 1.6082020163898076
Energy: 2.089784469465115
Energy: 1.5703898909797702
Energy: 1.5756948470148016
Energy: 1.5725038544339491
Energy: 1.5591449061009637
Energy: 1.8819294490157426
Energy: 1.5709258030437354
Energy: 2.212671030741429
Energy: 1.8727572707504558
Energy: 1.4788887658279073
Energy: 1.8746208751288416
Energy: 1.881806750704901
Energy: 1.5714993471033079
Energy: 1.5628070576501594
Energy: 1.4636351997132162
Energy: 1.4697785793257425
Energy: 1.57818809108668
Energy: 1.5773913495598635
Energy: 1.577143310989161
Energy: 1.5680407230556985
Energy: 1.8678466341270417
Energy: 1.6040386211170161
Energy: 1.5563216351631985
Energy: 1.5677062266565747
Energy: 1.5689672933748342
Energy: 1.567523270305319
Energy: 1.5699941864834182
Energy: 1.5678805194504195
Energy: 1.5666814515795682
Energy: 1.568374835952346
Energy: 1.5675645803314748
Energy: 1.5741224277139643
Energy: 1.8794934203399136
Energy: 1.8860340585841604
Energy: 1.571629587430094
Energy: 1.5723638616769997
Energy: 1.6073315998444908
Energy: 1.5705491971475762
Energy: 1.571537800958331
Energy: 1.6198167930847107
Energy: 1.568620465550003
Energy: 1.56841431902015
Energy: 1.6662544338505805
Energy: 1.5655704303244262
Energy: 1.560419706416207
Energy: 1.6011331207602382
Energy: 1.7718528729056524
Energy: 1.5673015026238817
Energy: 1.6030295624723239
Energy: 1.557922072551503
Energy: 1.5691059180178974
Energy: 1.5800455220288054
Energy: 1.5692463109954626
Energy: 1.5721819247175888
Energy: 1.6067720820422684
Energy: 1.5700748443922965
Energy: 1.5689455518394944
Energy: 1.5753633468462687
Energy: 1.5659393781669637
Energy: 1.576425115944735
Energy: 2.498437541283352
Energy: 1.5583196025726511
Energy: 1.6074900617010237
Energy: 1.6170288768363976
Energy: 1.5726849813095587
Energy: 1.4650775338750592
Energy: 1.7207988977676107
Energy: 1.5692727530810844
Energy: 1.5687866381562188
Energy: 1.5754945955243607
Energy: 1.5677152382175925
Energy: 1.5684783486981844
Energy: 1.6049564615598673
Energy: 1.5795432973221353
Energy: 1.565119025595862
Energy: 1.5679357911069356
Energy: 1.5650350537199702
Energy: 1.606257000565881
Energy: 2.0886647346114597
Energy: 1.5773991451937568
Energy: 1.5730798423975616
Energy: 1.569803132794905
Energy: 1.5592916172553468
Energy: 1.8809127037967326
Energy: 2.09698998686412
Energy: 1.5759751753878601
Energy: 1.8731889903611842
Energy: 1.604446286227168
Energy: 1.5744354021336249
Energy: 1.8805623160517788
Energy: 1.563822128362823
Energy: 1.5618482022628586
Energy: 1.4635760625536807
Energy: 1.468644121251508
Energy: 1.5722160620435515
Energy: 1.5622783053797764
Energy: 1.5772842586947349
Energy: 1.569265247179358
Energy: 1.8664984611549453
Energy: 1.5670600925700648
Energy: 1.5565053972759058
Energy: 1.5689527572789987
Energy: 1.5663353550436978
Energy: 1.5684796384213628
Energy: 1.5705166635157184
Energy: 1.5766960815064899
Energy: 1.5657826380731072
Energy: 1.5683655394821032
Energy: 1.566408948430286
Energy: 1.5731033608557698
Energy: 1.8772040807201
Energy: 1.8794629743670568
Energy: 1.572815541234156
Energy: 1.5715554206313693
Energy: 1.6058569075678395
Energy: 1.5703053693682452
Energy: 1.569069321537457
Energy: 1.5665970480773883
Energy: 1.569758483064299
Energy: 1.5693558803929941
Energy: 1.664727928724757
Energy: 1.5657676777333627
Energy: 1.561335674027289
Energy: 1.60264521817622
Energy: 1.565569261536282
Energy: 1.5675634976963453
Energy: 1.6028811291767768
Energy: 1.5697258218686885
Energy: 1.569452216018894
Energy: 1.5670623473010337
Energy: 1.5688053428477626
Energy: 1.571100394086004
Energy: 1.6038028837435934
Energy: 1.5706939057884493
Energy: 1.5662788642529266
Energy: 1.5724996282803372
Energy: 1.566480401166384
Energy: 1.5664906083563161
Energy: 2.511111349153391
Energy: 1.5692930655490522
Energy: 1.5720203570988964
Energy: 1.6046147681765517
Energy: 1.5731663336518882
Energy: 1.463935212001725

minimum gb energy = 1.4635760625536807 eV
minimum distance =  2.63801447797204 Angstroms
sigma value = 43


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

Energy: 1.6467456944963432
Energy: 1.6233920490176372
Energy: 1.6234691189358867
Energy: 1.6237455139686412
Energy: 1.6235050842982979
Energy: 1.6329797935653962
Energy: 1.5446206114932377
Energy: 1.6283886312876497
Energy: 1.6286855805902114
Energy: 1.629013860894238
Energy: 1.6286535640970499
Energy: 1.6266367877830503
Energy: 1.7127444479454823
Energy: 1.8611519968386312
Energy: 1.6285068359430683
Energy: 1.6282179279113167
Energy: 1.6286659956911205
Energy: 1.5493527466751211
Energy: 1.883674187244119
Energy: 1.9155288165158846
Energy: 1.621842162566682
Energy: 1.6243491663317626
Energy: 1.8302580061082816
Energy: 1.9098729974314728
Energy: 2.055318061057726
Energy: 1.9090863359271237
Energy: 1.7024126787852576
Energy: 1.654697954764868
Energy: 1.70423777728087
Energy: 1.911396296987127
Energy: 1.5465386263884016
Energy: 1.5465200457706616
Energy: 1.5346363089529595
Energy: 1.5325718634680758
Energy: 1.5446162533192098
Energy: 1.5463267854089948
Energy: 1.5447926779228887
Energy: 1.54816680555313
Energy: 1.6955377807182688
Energy: 1.6562701436900749
Energy: 1.5471077886946432
Energy: 1.547614483978298
Energy: 1.5447856483590516
Energy: 1.546793584917368
Energy: 1.8038684641632838
Energy: 1.6263554676798069
Energy: 1.5466048174595222
Energy: 1.546741477063958
Energy: 1.5427327187267097
Energy: 1.5442143573286542
Energy: 1.920589276912495
Energy: 1.5343201547207423
Energy: 1.8039744103496305
Energy: 1.5440932372112037
Energy: 2.021101442450342
Energy: 1.7959451099468065
Energy: 1.8822416233649242
Energy: 1.7837891216670771
Energy: 1.8814243093089194
Energy: 1.546020208785308
Energy: 2.2005276544924053
Energy: 1.799544719595254
Energy: 1.6450375629956295
Energy: 1.6483450036608875
Energy: 1.9406410551336677
Energy: 1.534335418459549
Energy: 2.1531865757679713
Energy: 1.8481281739654247
Energy: 1.6563746988595658
Energy: 1.6547918941505713
Energy: 1.656734996114442
Energy: 1.7997472591709995
Energy: 1.5446971723562568
Energy: 1.6544028760800085
Energy: 1.655749655664001
Energy: 1.6553124920557565
Energy: 1.6560093423284397
Energy: 1.9590850892160983
Energy: 1.868698027372674
Energy: 1.64771776494678
Energy: 1.6494835780664336
Energy: 1.6467439578839531
Energy: 1.647131905988514
Energy: 1.5316595846610244
Energy: 1.649234782138728
Energy: 1.6579270285885108
Energy: 1.6555067197278603
Energy: 1.698248048704228
Energy: 1.6549248913202197
Energy: 1.6493371897335054
Energy: 2.0302970102776396
Energy: 1.5324119611177174
Energy: 1.6600180427124498
Energy: 1.662706125322722
Energy: 1.6605770100386772
Energy: 1.5299260426820287
Energy: 2.1667370191378845
Energy: 1.5317137195212336
Energy: 1.6523499185690003
Energy: 1.6932090346429352
Energy: 1.7605011687802161
Energy: 1.5331540544086517
Energy: 2.131224736156127
Energy: 1.5323775291104949
Energy: 1.5261245860224941
Energy: 1.6805237173840062
Energy: 1.5309965184640013
Energy: 1.5341851524848773
Energy: 1.7525053548297955
Energy: 1.7571994196885214
Energy: 1.5713410081367754
Energy: 2.2154285908745908
Energy: 1.571315416669447
Energy: 1.7563666020441844
Energy: 1.7438145987830596
Energy: 1.5315251150988822
Energy: 1.5261749555454511
Energy: 1.6853775996342582
Energy: 1.5310549278889034
Energy: 1.5341515403475858
Energy: 1.749321109583808
Energy: 1.531343134970121
Energy: 1.569849208014601
Energy: 1.6875889363413703
Energy: 1.5322938367915528
Energy: 1.532338037142485
Energy: 1.745573260882459
Energy: 1.5343911049383308
Energy: 1.9328331279450908
Energy: 1.579323320115624
Energy: 2.1032685104447353
Energy: 1.5287643650820346
Energy: 1.658736353856783
Energy: 1.7298785605522335
Energy: 1.9365657608984388
Energy: 1.698065934368551
Energy: 1.5716595928195378
Energy: 1.8714875480162163
Energy: 2.2223001850475526
Energy: 1.571766152170994
Energy: 1.5705791372596776
Energy: 1.5731089522606796
Energy: 1.5687720088251507
Energy: 1.5343486638091626
Energy: 1.628563117189786
Energy: 1.5716580762886918
Energy: 1.5732643607694294
Energy: 1.5718342302722406
Energy: 1.5734793486388268
Energy: 1.8670887907251004
Energy: 1.7445313587152182
Energy: 1.56998265447302
Energy: 1.5727583578708746
Energy: 1.5716351923309018
Energy: 1.5730626306019766
Energy: 1.9263954413991558
Energy: 1.854225655107434
Energy: 1.8152636847886816
Energy: 1.5667119650344004
Energy: 1.5709571021975688
Energy: 1.567437189265076
Energy: 1.897675599305269
Energy: 1.7248793965654847
Energy: 2.084710934910793
Energy: 1.5725967210388425
Energy: 1.6299037003261652
Energy: 1.5724540656464567
Energy: 2.0438398836819918
Energy: 1.6214610512131262
Energy: 1.6223493347696138
Energy: 1.8959754869416305
Energy: 1.5347449847033765
Energy: 1.8174334610005878
Energy: 1.6235943069165684
Energy: 1.6278680509275085
Energy: 1.63048136379277
Energy: 1.813302983283161
Energy: 2.049086041379133
Energy: 1.625558957694125
Energy: 1.6303357354634822
Energy: 1.6287728740042835
Energy: 1.6308904239216981
Energy: 1.6322434127350327
Energy: 1.5720660315923156
Energy: 1.6305779684154735
Energy: 1.6306476207070337
Energy: 1.6259902027648288
Energy: 1.624348502748053
Energy: 1.5317792780148114
Energy: 1.5307825494118574
Energy: 1.6186157312341984
Energy: 1.6251996774873168
Energy: 2.0553694985314928
Energy: 1.6304912671317002
Energy: 1.6203058964359502
Energy: 1.6452159000647701
Energy: 1.6191686684123792
Energy: 1.6299427071719401
Energy: 2.0413831089534926
Energy: 1.6292915260333503
Energy: 1.6224427520572349
Energy: 1.919388994531214
Energy: 1.9408666752017951
Energy: 1.6294423719369953
Energy: 1.8414092242773719
Energy: 1.9106110664368077
Energy: 1.6290570894201015
Energy: 1.6281013021011412
Energy: 1.6275077836762415
Energy: 1.6315026069160468
Energy: 1.6850733357578993
Energy: 1.6263203167458766
Energy: 1.6310827736570783
Energy: 1.6282860468916198
Energy: 1.627584638282141
Energy: 1.626207411934835

minimum gb energy = 1.5261245860224941 eV
minimum distance =  2.54298599803935 Angstroms
sigma value = 81


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

Energy: 1.5476732392441448
Energy: 1.740523219473098
Energy: 1.5550680910923884
Energy: 1.5551852318783175
Energy: 2.0229098039737465
Energy: 1.5476585528294926
Energy: 1.5552787092025786
Energy: 1.7409149713708785
Energy: 1.555574357177347
Energy: 1.5547397795156102
Energy: 1.5548034584633053
Energy: 1.7406979489730887
Energy: 1.743551949228975
Energy: 1.7408708682513359
Energy: 1.5555682674228986
Energy: 1.55494774509868
Energy: 1.5559053352823136
Energy: 1.7410208369180757
Energy: 1.741289475625393
Energy: 1.7408761085885267
Energy: 1.5548917256598747
Energy: 1.5541827354846434
Energy: 1.7407472581130485
Energy: 1.7409790331119623
Energy: 1.7408926873632864
Energy: 1.7412041610151585
Energy: 1.5545955087960162
Energy: 1.5478966429866785
Energy: 1.7436019529241695
Energy: 1.7414125806395389
Energy: 1.5555346770892695
Energy: 1.5550276023625724
Energy: 1.5478428416877683
Energy: 1.5520028113380782
Energy: 1.742280428372416
Energy: 1.5554413330836891
Energy: 1.5548561021539742
Energy: 1.5558568149518615
Energy: 1.7414246841443954
Energy: 1.5550268326536698
Energy: 1.743746878441246
Energy: 1.55513411905168
Energy: 1.55486280810805
Energy: 1.5556548685411344
Energy: 1.7410986925317338
Energy: 1.7410877170278425
Energy: 1.740810500557373
Energy: 1.5554209863209751
Energy: 1.55495872592056
Energy: 1.5552019835279338
Energy: 1.741009810799979
Energy: 1.7416578418967137
Energy: 1.7413116041220695
Energy: 1.5553097942016032
Energy: 1.5477804867495764
Energy: 1.7404191578012342
Energy: 1.7411598854405452
Energy: 1.740527459725162
Energy: 1.7429156887920978
Energy: 1.5554377447389578

minimum gb energy = 1.5476585528294926 eV
minimum distance =  2.60029604270625 Angstroms
sigma value = 3


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

Energy: 3.392498167248761
Energy: 1.5584739674032402
Energy: 1.532509672495088
Energy: 1.5386103162560427
Energy: 1.5324662325230762
Energy: 1.8817479403365005
Energy: 1.5331104126715585
Energy: 1.683697816317808
Energy: 1.6925763694516187
Energy: 1.8486489434130553
Energy: 1.6832149431075638
Energy: 1.7819954823570494
Energy: 1.8498896251655015
Energy: 1.694075145029018
Energy: 1.5346957662191851
Energy: 1.8483405122389593
Energy: 1.534950859486479
Energy: 1.8510505117937917
Energy: 1.8510693105994191
Energy: 1.5357392054972725
Energy: 1.5359962270698682
Energy: 1.845658715782677
Energy: 1.6944028106144509
Energy: 1.8789030774461914
Energy: 1.8502949081720022
Energy: 1.5362795808563252
Energy: 1.5335692338839833
Energy: 1.5080920819798922
Energy: 1.535966331647159
Energy: 1.8504681019969882
Energy: 1.6233927632813014
Energy: 1.6218765907338117
Energy: 1.6669557077378951
Energy: 1.5087086482935546
Energy: 1.5411152726281823
Energy: 1.6218846521848387
Energy: 1.981627892102954
Energy: 1.5363807356256611
Energy: 1.6447164538139285
Energy: 1.533611014815274
Energy: 1.76627266953328
Energy: 1.849933042275721
Energy: 1.9806700972573414
Energy: 1.5339053332963257
Energy: 1.5370417910486942
Energy: 1.535561398986595
Energy: 1.5383343127766214
Energy: 1.5357705542198123
Energy: 1.4999925106032952
Energy: 1.5369903809592473
Energy: 1.5353690601231047
Energy: 1.5389248875316504
Energy: 1.5353264915028082
Energy: 2.129109335888407
Energy: 1.8885629398061818
Energy: 1.533656299465486
Energy: 1.536682083050976
Energy: 1.5354202684463885
Energy: 1.5376522344441383
Energy: 1.6542209578068179
Energy: 1.6925869686107817
Energy: 1.7958199724268562
Energy: 1.5356306924593857
Energy: 1.537392519989002
Energy: 1.5364760615162698
Energy: 1.6954859791122734
Energy: 1.495603830806197
Energy: 1.6459699333969202
Energy: 1.5362968481831942
Energy: 1.530247425022808
Energy: 1.5375787949412751
Energy: 1.9049400102578116
Energy: 1.6562729747429215
Energy: 1.6452497887023103
Energy: 1.5351842844880237
Energy: 1.529730363414556
Energy: 1.4954018955394435
Energy: 1.6543134837332725
Energy: 1.6530470628144274
Energy: 1.6545084666534675
Energy: 1.7128082511205105
Energy: 1.6156690589123754
Energy: 1.4943325180528668
Energy: 1.6543279983704082
Energy: 1.6575350745935526
Energy: 1.4941944638412286
Energy: 1.537331653322583
Energy: 1.534296099591386
Energy: 1.7560220704535559
Energy: 1.4948311315929392
Energy: 1.4940938281366203
Energy: 1.6650451632833723
Energy: 1.537564869373066
Energy: 1.540787687190053
Energy: 1.6560439754735474
Energy: 1.65196435880284
Energy: 1.5333048178084643
Energy: 1.6624313536450923
Energy: 1.5366424229510198
Energy: 1.6128551001836273
Energy: 1.5356048536811913
Energy: 1.4937854668829846
Energy: 1.5336312343209957
Energy: 1.747614058570193
Energy: 1.5396919904620856
Energy: 1.5344455264291934
Energy: 1.5369094445449054
Energy: 1.4942401690668508
Energy: 1.951029746906565
Energy: 1.7528208869068707
Energy: 1.5374249889565912
Energy: 1.5392119269510551
Energy: 1.5372824340248958
Energy: 1.660254873775994
Energy: 1.9673901185386755
Energy: 1.495780912537285
Energy: 1.539188820651264
Energy: 1.5341378260818719
Energy: 1.752561394221727
Energy: 1.4947944858119064
Energy: 1.9631557535691957
Energy: 1.4960913612487012
Energy: 1.6543518571156717
Energy: 1.5349567537943691
Energy: 1.6484664207830195
Energy: 1.963402592898125
Energy: 1.4942548151880146
Energy: 1.9457712120194843
Energy: 1.5085259351921902
Energy: 1.5086263761720937
Energy: 1.9557529827751063
Energy: 1.6457371655972237
Energy: 1.9826165971741352
Energy: 1.964198233024411
Energy: 1.659497212298942
Energy: 1.5963484660713105
Energy: 1.8122142173196851
Energy: 1.9629347046000067
Energy: 1.9797670434390604
Energy: 1.776118506186519
Energy: 1.5350736704830292
Energy: 1.5347761944518163
Energy: 1.536876273306067
Energy: 1.8520450727215818
Energy: 1.8505359115991558
Energy: 1.6624809005735102
Energy: 1.5357960886776842
Energy: 1.5350686973571492
Energy: 1.5358879812082913
Energy: 2.0780641115535126
Energy: 1.6073012121170709
Energy: 1.5368924040719893
Energy: 1.535802134744385
Energy: 1.5348888440048836
Energy: 1.536507902810861
Energy: 1.5378998323539075
Energy: 1.692489012780059
Energy: 1.7534393718726096
Energy: 1.5360830928859026
Energy: 1.5353788892022313
Energy: 1.5351115312736483
Energy: 1.6945258121250282
Energy: 1.6066180342896
Energy: 1.5355363501519423
Energy: 1.536422827442185
Energy: 1.6544121677253032
Energy: 1.5378648852976697
Energy: 1.5346735430785978
Energy: 1.5337827744203645
Energy: 1.5339582342090372
Energy: 1.834326792045454
Energy: 1.5309984722862724
Energy: 1.541281752785163
Energy: 1.5348530904461564
Energy: 1.53406932363707
Energy: 1.5349182922161515
Energy: 1.5374956721185802
Energy: 1.6290825919758498
Energy: 1.5375136680804773
Energy: 1.5346275139850567
Energy: 1.5359873130241108
Energy: 1.5357299543515706
Energy: 1.671070386801025
Energy: 1.8455001305763408
Energy: 1.5356320895511106
Energy: 1.5354835152160422
Energy: 1.5346181876014648
Energy: 1.538779773542256
Energy: 2.012036425927568
Energy: 1.8500603406086673
Energy: 1.6643421770040323
Energy: 1.5352709519263077
Energy: 1.5078218350577313
Energy: 1.6733596779245892
Energy: 1.8433695174559657
Energy: 1.8468747381860358
Energy: 1.700275606863572
Energy: 1.7863699479529254

minimum gb energy = 1.4937854668829846 eV
minimum distance =  2.56503174638273 Angstroms
sigma value = 67


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

Energy: 2.220765916281306
Energy: 1.7689763454267946
Energy: 1.7694175863711268
Energy: 1.776435727455746
Energy: 1.7691607907216118
Energy: 1.4783366290337503
Energy: 1.4479485774427359
Energy: 1.5444345174301004
Energy: 1.4452758217806592
Energy: 1.4434432866737292
Energy: 1.4461122196664495
Energy: 1.5391411434978994
Energy: 1.8084442083612389
Energy: 1.5509682442618489
Energy: 1.4464748691157483
Energy: 1.8281379986578852
Energy: 1.445272947519689
Energy: 1.4461061668976443
Energy: 1.829350335831606
Energy: 1.4457165856198322
Energy: 1.5420553305011573
Energy: 1.4458619467011444
Energy: 1.5506167934882193
Energy: 1.888012270393064
Energy: 1.8288548789343089
Energy: 1.443717239073803
Energy: 1.5656505332263624
Energy: 1.4997915746409993
Energy: 1.5433040740612989
Energy: 1.8085764148605017
Energy: 1.767660202227205
Energy: 1.7698599670275903
Energy: 1.9715122482686989
Energy: 1.8257616966078198
Energy: 1.4481256181891888
Energy: 1.7689228026674206
Energy: 2.189990124125472
Energy: 1.4462981909968922
Energy: 1.5360809311509125
Energy: 1.4476976315378536
Energy: 1.9630285595051455
Energy: 1.8244559794283173
Energy: 2.19568022564075
Energy: 1.4470196761129426
Energy: 1.446627710469416
Energy: 1.4473050802545653
Energy: 1.4467265403635654
Energy: 1.8303312838383763
Energy: 1.4963699198605263
Energy: 1.445155775366102
Energy: 1.4443409127672995
Energy: 1.4459271065703376
Energy: 1.4440256786061827
Energy: 1.4925843597196662
Energy: 1.5289903376425749
Energy: 1.4478859909039652
Energy: 1.4459682782516052
Energy: 1.4452277779952942
Energy: 1.4465911421495388
Energy: 1.446009069624702
Energy: 1.830244400140815
Energy: 1.5662614761635563
Energy: 1.4469864009204358
Energy: 1.4464661895814437
Energy: 1.541169207138439
Energy: 1.4466632529299706
Energy: 1.4973883440828086
Energy: 1.4459295005444437
Energy: 1.4432290205082992
Energy: 1.4458963932859972
Energy: 1.4461420839828916
Energy: 1.4931488587803254
Energy: 1.445185847539385
Energy: 1.4460677026949398
Energy: 1.4430234403618338
Energy: 1.4525995319800693
Energy: 1.5341545303296842
Energy: 1.4517347554317053
Energy: 1.8271993316668471
Energy: 1.4457993860950937
Energy: 1.5340035342465306
Energy: 1.4451765765309048
Energy: 1.4452637932798666
Energy: 1.447403850137824
Energy: 1.443683482247232
Energy: 1.5467133983227546
Energy: 1.4468489236996607
Energy: 1.8250587964098983
Energy: 1.5451893166196877
Energy: 1.44502302289198
Energy: 1.4475451353373632
Energy: 1.5393679840809256
Energy: 1.4521077674965026
Energy: 1.8254332732589258
Energy: 1.9274171899775048
Energy: 1.4465285114459467
Energy: 1.8365708447737046
Energy: 1.4469039564888164
Energy: 1.4458754978216617
Energy: 1.4454180323337646
Energy: 1.4461382467784845
Energy: 1.4435179209395326
Energy: 1.8359349288284603
Energy: 1.4471717807323796
Energy: 1.8192716131404656
Energy: 1.8646658666808928
Energy: 1.4505231445566564
Energy: 1.4475444476647628
Energy: 1.4458413478769645
Energy: 1.4473780645665417
Energy: 2.3140443672294855
Energy: 2.187623697073629
Energy: 1.5396909205356315
Energy: 1.4462481324009697
Energy: 1.4582258118816585
Energy: 1.4459754532382225
Energy: 1.4464514137346902
Energy: 2.138240294476442
Energy: 1.447090650450648
Energy: 1.445839595686447
Energy: 1.4468646983031084
Energy: 1.4448361882965663
Energy: 1.4474323192404723
Energy: 1.7738122202260012
Energy: 1.4449281316157903
Energy: 1.4449424243095386
Energy: 1.4462399186058559
Energy: 1.4474861143107587
Energy: 1.5466393272337144
Energy: 1.8270244014646442
Energy: 1.5440308372784894
Energy: 1.4468355788917164
Energy: 1.446161590646511
Energy: 1.4464779448032135
Energy: 1.4523809414323605
Energy: 1.4986268586972922
Energy: 1.4459470559934877
Energy: 1.4456779594439122

minimum gb energy = 1.4430234403618338 eV
minimum distance =  2.59453604113244 Angstroms
sigma value = 33


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

Energy: 3.3286457696140883
Energy: 1.9423805663269478
Energy: 1.9409305353805268
Energy: 1.940259073355304
Energy: 1.7160588913215111
Energy: 1.3703161929202183
Energy: 1.590260521351236
Energy: 1.6896779671304272
Energy: 2.0381592478206403
Energy: 1.9386197576510515
Energy: 1.479553691925112
Energy: 1.475774126894202
Energy: 1.5936751912134974
Energy: 1.3761705123598629
Energy: 1.3749643464761196
Energy: 1.8066244217309355
Energy: 1.4825060612359935
Energy: 1.5945672221333793
Energy: 1.599408453252852
Energy: 1.3724897828594622
Energy: 1.6891943238372604
Energy: 1.9376895306050876
Energy: 1.3732329104911052
Energy: 1.6201985861450854
Energy: 1.5984884973357911
Energy: 1.5938917781498483
Energy: 1.371828526236302
Energy: 1.5964465443926124
Energy: 1.3754554229011045
Energy: 1.593316813044931
Energy: 1.3775187850206485
Energy: 1.3748784954359812
Energy: 1.926867000603676
Energy: 1.9331136888227378
Energy: 1.596346193854925
Energy: 1.3772217443049595
Energy: 1.3722059565380698
Energy: 1.5948864112622376
Energy: 1.6216726403124049
Energy: 1.3718497383652228
Energy: 1.3772635051977435
Energy: 1.8101608365292585
Energy: 1.373738358395465
Energy: 1.4717676370749289
Energy: 1.5937612862194162
Energy: 1.5940613924651126
Energy: 1.5921286172120224
Energy: 1.809155458992818
Energy: 1.9412326536566864
Energy: 1.3716437369737786
Energy: 1.3759830789850742
Energy: 1.5949554541156648
Energy: 1.3736497773225493
Energy: 1.5948888717853507
Energy: 1.9370948104802654
Energy: 1.4847156657470533
Energy: 1.3733504321706986
Energy: 1.5953593402658055
Energy: 1.3747474934547599
Energy: 1.8292041626899538
Energy: 1.9356086631290166
Energy: 1.3752248997942875
Energy: 1.3724874329372905
Energy: 1.5929333099390142
Energy: 1.486583263598093
Energy: 1.652049810755112
Energy: 1.939651579757023
Energy: 1.9353980569313394
Energy: 1.3733704109408025
Energy: 1.5951790426524848
Energy: 1.3738774573297023
Energy: 1.935348967260365
Energy: 1.7377174639065822
Energy: 1.9347870702388854
Energy: 1.3737674490792413
Energy: 1.5961310192966847
Energy: 1.3727843544352865
Energy: 1.7173822745465086
Energy: 2.045712905611332
Energy: 1.375312602368855
Energy: 1.3755696614061743
Energy: 1.3726935445843358
Energy: 1.3762091057144017
Energy: 1.6560386446778368
Energy: 2.0456816285070754
Energy: 1.3725858088018916
Energy: 1.3747749759553705
Energy: 1.3750692856131659
Energy: 1.3749502474086723
Energy: 1.479938252475064
Energy: 2.014962537730034
Energy: 1.37181589369193
Energy: 1.3711637392286775
Energy: 1.3732708338729616
Energy: 1.3709128541082092
Energy: 1.4763193365939655
Energy: 1.9338736789911743
Energy: 1.3738626869314272
Energy: 1.3713003420810093
Energy: 1.3732087687396985
Energy: 1.3745173456722521
Energy: 1.6083524207966169
Energy: 1.7163643911043365
Energy: 1.692453964674563
Energy: 1.3729925878722444
Energy: 1.378906030641975
Energy: 1.375377589327539
Energy: 2.0411445396154932
Energy: 1.3794372880727999
Energy: 1.3767193714879666
Energy: 1.5945653312041201
Energy: 1.8047439037688617
Energy: 1.9414251724843181
Energy: 1.3809698200348586
Energy: 1.936456223130619
Energy: 2.0398002453000923
Energy: 1.4815382694202228
Energy: 1.5895048412521848
Energy: 1.6913009799535674
Energy: 1.9356165030701777
Energy: 1.8066801001455712
Energy: 1.3750010142433595
Energy: 1.374019233113957
Energy: 1.5937176244901874
Energy: 1.480758433690023
Energy: 1.6124313479289933
Energy: 1.935940058425956
Energy: 1.4872933769895826
Energy: 1.372863856601667
Energy: 1.5984131718281556
Energy: 1.373140994569186
Energy: 1.5935749417588292
Energy: 1.5949833912358387
Energy: 1.3748751177337923
Energy: 1.5934638879074046
Energy: 1.5970726965838888
Energy: 1.374502097059874
Energy: 1.376567628957333
Energy: 1.708632022672995
Energy: 1.6190249184855605
Energy: 1.3764860575632836
Energy: 1.5914953729721089
Energy: 1.376618396522711
Energy: 1.7326957500050448
Energy: 1.3713505950225058
Energy: 1.5913455366689784
Energy: 1.5959598764416136
Energy: 1.371910703588704
Energy: 1.3759338219432458
Energy: 1.6217741601867024
Energy: 1.591357486027818
Energy: 1.5926044562999244
Energy: 1.372166225199557
Energy: 2.0435083181881293
Energy: 1.3803276436558276
Energy: 1.591933686801365
Energy: 1.5925433972977279
Energy: 1.3747864736290962
Energy: 1.3720302954499803
Energy: 1.8616989199201406
Energy: 1.3736934534180218
Energy: 1.3725016844053162
Energy: 1.5936138755116076
Energy: 1.3736585180713807
Energy: 1.6875494923554186
Energy: 1.9372883543462702
Energy: 1.483580962617081
Energy: 1.3720540401306813
Energy: 1.5948523419348632
Energy: 1.472776568484163
Energy: 2.1552466888516957
Energy: 1.9348089734112297
Energy: 1.6234291582328069
Energy: 1.5936873955151785
Energy: 1.5947660740182543
Energy: 1.3735493465896371
Energy: 1.9351657036126926
Energy: 1.9366706336316115
Energy: 1.9754956580908132
Energy: 1.6184430544008948
Energy: 1.5956975829765716
Energy: 1.3731724973359483
Energy: 1.938190748699555
Energy: 1.7291525055128492
Energy: 1.9373298654273794
Energy: 1.5903477416579737
Energy: 1.3754709733980308
Energy: 1.3743384203155895
Energy: 1.4813386529722445
Energy: 2.0453628298803705
Energy: 1.4742286413177668
Energy: 1.3749020659639157
Energy: 1.3750659949798743
Energy: 1.375647909820896
Energy: 1.480588066131918
Energy: 2.046143365557607
Energy: 1.372500899075131
Energy: 1.3755747902262474
Energy: 1.3711814569338665
Energy: 1.3707595441745117
Energy: 1.3723642729569068
Energy: 2.0522910033644144
Energy: 1.3709685551158461
Energy: 1.371469922108092
Energy: 1.3750761223570849
Energy: 1.3767042218811432
Energy: 1.4799035840020789
Energy: 1.735918965211421
Energy: 1.3737753598710016
Energy: 1.3759908374416199
Energy: 1.3777182116395688
Energy: 1.373769817316164
Energy: 1.871633104487616
Energy: 1.7366729607498086
Energy: 1.4814515763281357
Energy: 1.3770146148506033
Energy: 1.373646674030408
Energy: 1.6937563434149583
Energy: 1.726173615356454
Energy: 1.3767312683333377
Energy: 1.973018320445338
Energy: 1.8055413605481023

minimum gb energy = 1.3703161929202183 eV
minimum distance =  2.51197734048738 Angstroms
sigma value = 41


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

Energy: 2.5259225244336982
Energy: 1.57403116184194
Energy: 1.573099908784007
Energy: 1.5777432304214556
Energy: 1.5732656417155708
Energy: 2.4652116634164742
Energy: 1.5933601599198048
Energy: 1.220903982201517
Energy: 1.2166374400597548
Energy: 1.5876547785939357
Energy: 1.22064040284262
Energy: 1.589973919010903
Energy: 1.5926318853988997
Energy: 1.2214706141007072
Energy: 1.2165579098509602
Energy: 1.1354146896091326
Energy: 1.2217479748907838
Energy: 1.5892014222261794
Energy: 1.5861010970810645
Energy: 1.2196252360071798
Energy: 1.2164510867205736
Energy: 1.5903488240055188
Energy: 1.2214376494547203
Energy: 1.8168076668745725
Energy: 1.5972033063029794
Energy: 1.5912931758636182
Energy: 1.221258956203614
Energy: 1.5948268012974491
Energy: 1.2197767189022812
Energy: 1.589049511768222
Energy: 1.5782080152024704
Energy: 1.5732943600816924
Energy: 1.5741143402070206
Energy: 1.5670006416945867
Energy: 1.5766954730231395
Energy: 1.575080661720618
Energy: 2.0058510665104103
Energy: 1.5966082669456945
Energy: 1.2163238417735212
Energy: 1.5902833820219664
Energy: 1.2204369528266201
Energy: 2.009086644256171
Energy: 2.0087230051151472
Energy: 1.221556457323274
Energy: 1.5776970642957058
Energy: 1.5923647836560155
Energy: 1.2200867240686546
Energy: 2.0082339156592384
Energy: 1.5929008012177581
Energy: 1.2220618832800334
Energy: 1.2168183551284821
Energy: 1.1353361707654726
Energy: 1.2212407188439052
Energy: 1.577490882327302
Energy: 1.5792188265965987
Energy: 1.2217476343692497
Energy: 1.2168754106976671
Energy: 1.580037625054543
Energy: 1.22128993878596
Energy: 1.5940843071225657
Energy: 1.5836648869442032
Energy: 1.8165645442640876
Energy: 1.216129380974733
Energy: 1.5890353965995225
Energy: 1.2215813945539589
Energy: 1.5946492511565846
Energy: 1.5846680657684868
Energy: 1.58292930070568
Energy: 1.222067880744187
Energy: 1.5668197452098915
Energy: 1.2194396440983772
Energy: 1.5844083355027447
Energy: 1.5939292426586198
Energy: 1.5802695545126906
Energy: 1.216584358073484
Energy: 1.5849203049955953
Energy: 1.219737877758377
Energy: 1.5781540820415474
Energy: 2.009617620511731
Energy: 1.8168077720943594
Energy: 1.5746504831025583
Energy: 1.5894145749505613
Energy: 1.2208380263059577
Energy: 2.0078035732207082

minimum gb energy = 1.1353361707654726 eV
minimum distance =  2.66234200715052 Angstroms
sigma value = 11


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

Energy: 2.180708198842006
Energy: 1.5195912160146325
Energy: 1.5192634385481296
Energy: 1.7235157727316708
Energy: 1.721175287475695
Energy: 1.5861933833327173
Energy: 1.5181355447296965
Energy: 1.5192215280062455
Energy: 1.5083563025591489
Energy: 1.5110240180860273
Energy: 1.805315794057414
Energy: 1.540465479793669
Energy: 1.5187626176055866
Energy: 1.5187598289533297
Energy: 1.6190180635367966
Energy: 1.5091087849902924
Energy: 1.6175633310592377
Energy: 1.5185268492518926
Energy: 1.5198125670717109
Energy: 1.5200191314941613
Energy: 1.620484414219037
Energy: 1.5095836425579805
Energy: 1.5211398711487032
Energy: 1.5192364647705392
Energy: 1.5199809407921503
Energy: 1.519442341028524
Energy: 1.51979952700045
Energy: 1.5100947565117402
Energy: 1.519728172016593
Energy: 1.5188707280999292
Energy: 1.5176227484377223
Energy: 1.519648312722637
Energy: 1.617342810281688
Energy: 1.5093733112727492
Energy: 1.6181293975916178
Energy: 1.5180202455342022
Energy: 1.5149313423194035
Energy: 1.5209993841276488
Energy: 1.5081571973542593
Energy: 1.509365416767344
Energy: 1.5087402098516316
Energy: 1.6135073252107273
Energy: 1.514723757265961
Energy: 1.5199633319992962
Energy: 1.5194706633865371
Energy: 1.518668997646526
Energy: 1.519234749412015
Energy: 1.5047947332868488
Energy: 1.520640984344404
Energy: 1.5185150940298824
Energy: 1.5110056899844004
Energy: 1.5075848115975523
Energy: 1.5198179611594878
Energy: 1.518817610471358
Energy: 1.5190657539543433
Energy: 1.5195789107420672
Energy: 1.8062731415736781
Energy: 1.507156074734379
Energy: 1.5197320278748823
Energy: 1.5191056135444219
Energy: 1.6924374169180376
Energy: 1.6911837270403527
Energy: 1.6334131228081883
Energy: 1.5214808886644315
Energy: 1.634611384897565
Energy: 1.5200937498322162
Energy: 1.690964737560506
Energy: 1.6176385063074288
Energy: 1.6845750148931733
Energy: 1.6943945349052074
Energy: 1.5207376012083862
Energy: 1.6854048178261918
Energy: 1.5200976239700916
Energy: 1.632690176652149
Energy: 1.6863520177546938
Energy: 1.6938419838319096
Energy: 1.688569383402877
Energy: 1.5189480009547718
Energy: 1.5050562074195835
Energy: 1.5193828879235831
Energy: 1.5191316190565267
Energy: 1.5196331311616782
Energy: 1.5195210858500219
Energy: 1.618480190442294
Energy: 1.5183695285375334
Energy: 1.8039852262877258
Energy: 1.54057548032719
Energy: 1.5183205246521958
Energy: 1.5190667007144416
Energy: 1.512015682665226
Energy: 1.5190889515645998
Energy: 1.5195162966226223
Energy: 1.8164501009789826
Energy: 1.5027165572786145
Energy: 1.519487574094664
Energy: 1.5212020728368334
Energy: 1.5104634082774218
Energy: 1.6176656240706098
Energy: 1.5194634684367274
Energy: 1.5044227317507057
Energy: 1.6174584486711756
Energy: 1.508412080190233
Energy: 1.5047900638017335
Energy: 1.8540963372841737
Energy: 1.518540198900114
Energy: 1.5188337482916512
Energy: 1.5185519005155323
Energy: 1.5050844536042625
Energy: 1.511997781374458
Energy: 1.5205360881704821
Energy: 1.520652705036036
Energy: 1.5555318369697402
Energy: 1.5208706634252542
Energy: 1.5086949950169004
Energy: 1.5104493345254004
Energy: 1.5193200549116073
Energy: 1.51921719924365
Energy: 1.5197578089880832
Energy: 1.519810249302568
Energy: 1.5081578158698212
Energy: 1.5092160277662776
Energy: 1.8100785424765726
Energy: 1.5181306286900749
Energy: 1.5180636948655966
Energy: 1.5212482590500387
Energy: 1.616436449387303
Energy: 1.5098021038304057
Energy: 1.5087164391980459
Energy: 1.5201829941963576
Energy: 1.5148294639194644
Energy: 1.616890896319551
Energy: 1.508499487224675
Energy: 1.5186505230868057
Energy: 1.5192713597749747
Energy: 1.5154992148026045
Energy: 1.5049572773936855
Energy: 1.6179827843760533
Energy: 1.5233108007236935
Energy: 1.5064906174712205
Energy: 1.61782410511011
Energy: 1.518438854211873
Energy: 1.5222404287978033
Energy: 1.519086183431895
Energy: 1.5105162571629105
Energy: 1.5055194544002233
Energy: 1.519400503897309
Energy: 1.519333038729739
Energy: 1.5219057619353353
Energy: 1.5200114448203947
Energy: 1.6113008390907313
Energy: 1.5217265419190646
Energy: 1.633289880027398
Energy: 1.69083898947768
Energy: 1.6923972657498385
Energy: 1.5207534634619932
Energy: 1.5204120615159857
Energy: 1.6945499736390384
Energy: 1.51915741205412
Energy: 1.6854159496385974
Energy: 1.6913885015007037
Energy: 1.621163894466813
Energy: 1.5205358985592397
Energy: 1.6950483832551597
Energy: 1.520155474903172
Energy: 1.6328231381858964
Energy: 1.5233573734035126
Energy: 1.6907862073295152
Energy: 1.6910701197022682
Energy: 1.520398762398502
Energy: 1.5194895869834844
Energy: 1.646353242736946
Energy: 1.5066273530161156
Energy: 1.6902562831980399
Energy: 1.5190533448017007
Energy: 1.5220353467190848
Energy: 1.518918453205821
Energy: 1.618001801694022
Energy: 1.5191868007520244
Energy: 1.6172270465755623
Energy: 1.5186940851755784
Energy: 1.5027740546848958
Energy: 1.6923676770312979
Energy: 1.5190321531766353
Energy: 1.519023736720037
Energy: 1.5192994860618856
Energy: 1.5046584764546842

minimum gb energy = 1.5027165572786145 eV
minimum distance =  2.57565943276006 Angstroms
sigma value = 57


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

Energy: 3.1477046305451903
Energy: 1.7012920098098525
Energy: 1.6993016978430409
Energy: 1.698036470943179
Energy: 1.69931708954327
Energy: 1.656510958834262
Energy: 1.6046483571643078
Energy: 1.688011883249371
Energy: 1.687826859725983
Energy: 1.6045528272660734
Energy: 1.6877111755969807
Energy: 1.6044898918404333
Energy: 1.6039016401272737
Energy: 1.604496763685015
Energy: 1.6885902111989617
Energy: 1.5834736056807834
Energy: 1.6878760611570165
Energy: 1.605163134912327
Energy: 1.6048466637875292
Energy: 1.605396942843692
Energy: 1.6882595099953674
Energy: 1.6045401227714085
Energy: 1.6043291350166033
Energy: 1.6057309739045038
Energy: 1.6065152476797688
Energy: 1.604890251941319
Energy: 1.6869132473830475
Energy: 1.6040204339743416
Energy: 1.688721764337934
Energy: 1.6057571709115102
Energy: 1.6039820289549085
Energy: 1.6868027240598011
Energy: 1.6878232032740919
Energy: 1.6045196741808425
Energy: 1.686967207476038
Energy: 1.6057967507371744
Energy: 1.6951284789179326
Energy: 1.6883739059174854
Energy: 1.6049848012080519
Energy: 1.7036019295584721
Energy: 1.6048594896353454
Energy: 1.6870211183872168
Energy: 1.6927020642055743
Energy: 1.6873729002728988
Energy: 1.6051641254612927
Energy: 1.6982655405505591
Energy: 1.7860204362116632
Energy: 1.6875151726510342
Energy: 1.6037261930649866
Energy: 1.6061609942445392
Energy: 1.583931248666775
Energy: 1.5847565310578577
Energy: 1.68774819920973
Energy: 1.6060747989897237
Energy: 1.6042247903836784
Energy: 1.6043280232135804
Energy: 1.5837927027059049
Energy: 1.5840537236338
Energy: 1.6878710915057802
Energy: 1.6049673625101732
Energy: 1.5831472478263036
Energy: 1.6876043034040296
Energy: 1.6052129842565959
Energy: 1.6037761734949874
Energy: 1.9468274779767363
Energy: 1.688148702064388
Energy: 1.5831042126353174
Energy: 1.68909902592125
Energy: 1.605305390124516
Energy: 1.6070817683015388
Energy: 1.6049685327267718
Energy: 1.6869239598278931
Energy: 1.6068090673156379
Energy: 1.6053337744589709
Energy: 1.6056288939109755
Energy: 1.6049015596530112
Energy: 1.6054705635707534
Energy: 1.6045930633124852
Energy: 1.604367001344006
Energy: 1.6891987938185367
Energy: 1.6048964783321573
Energy: 1.604581212151393
Energy: 1.6882365946761442
Energy: 1.6882462104150655
Energy: 1.604127291404443
Energy: 1.6875931760529077
Energy: 1.6879407941774427
Energy: 1.6042141562705645
Energy: 1.6885191551062864
Energy: 1.6059351398191901
Energy: 1.6993728397400611
Energy: 1.699282493156057
Energy: 1.7037237600192192
Energy: 1.6016355436445477
Energy: 1.6056149972616995
Energy: 1.6990895824658376
Energy: 1.5832808928281144
Energy: 1.6048066075752618
Energy: 1.6877965462115294
Energy: 1.6043577271463783
Energy: 1.6902335940907605
Energy: 1.6057931852410385

minimum gb energy = 1.5831042126353174 eV
minimum distance =  2.58845596672953 Angstroms
sigma value = 9


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

Energy: 3.397797045796897
Energy: 1.7825231076348966
Energy: 1.757634724898994
Energy: 1.758974191663869
Energy: 1.7828407176668664
Energy: 1.7594480402737473
Energy: 1.709588674017715
Energy: 1.9381223819972446
Energy: 1.7437316603117292
Energy: 1.7446107449881691
Energy: 1.937513856061079
Energy: 1.7290285648919494
Energy: 1.7125817935471954
Energy: 1.7351077272204272
Energy: 2.0747392170974654
Energy: 1.6736844690235824
Energy: 1.9375118444705557
Energy: 1.734403897078709
Energy: 1.73226251329994
Energy: 1.7359213610729671
Energy: 1.9294222276092028
Energy: 1.7439322699519668
Energy: 1.9284488166533964
Energy: 1.7340917749631006
Energy: 1.7331558758137495
Energy: 1.9475636240625742
Energy: 1.8302264973601354
Energy: 1.7373041294200737
Energy: 1.827732443344623
Energy: 1.931041229899149
Energy: 1.7197257660492045
Energy: 1.826225684302363
Energy: 1.734581698215302
Energy: 1.7331951532052832
Energy: 1.9455802953381884
Energy: 1.7183859247501032
Energy: 1.782520978290889
Energy: 1.7350470334626633
Energy: 1.7351860002095163
Energy: 1.7351915992102178
Energy: 1.7355866383824545
Energy: 1.9372060428379176
Energy: 1.7832561858561433
Energy: 1.9365731090886011
Energy: 1.7566214755314629
Energy: 1.7092522044979945
Energy: 1.9137102503151673
Energy: 1.9391195579811078
Energy: 1.7816568419410528
Energy: 1.745157883321306
Energy: 1.7888782952571916
Energy: 1.7797089637544936
Energy: 1.9375965970133522
Energy: 1.7822199338092963
Energy: 1.756325967971236
Energy: 1.7186788179675379
Energy: 1.8127934674812796
Energy: 1.7797096015267395
Energy: 1.9370499293991044
Energy: 1.7568198316250205
Energy: 1.740562275859084
Energy: 1.936637035546795
Energy: 1.7118110503872084
Energy: 1.7564906023754974
Energy: 1.7113491278459636
Energy: 1.7156991392085703
Energy: 1.824977864750596
Energy: 1.7894893469031898
Energy: 1.7446884982243187
Energy: 1.785073523282698
Energy: 1.9382231840509436
Energy: 1.7595263118204507
Energy: 1.7092113820536283
Energy: 1.7111188344181951
Energy: 1.9373234401093002
Energy: 1.7147343214172446
Energy: 1.9371125984670319
Energy: 1.7110458121542915
Energy: 1.7349154461792213
Energy: 1.7358935647922897
Energy: 1.9292993815526782
Energy: 1.7148011706228787
Energy: 1.7352280898519319
Energy: 1.734925274953325
Energy: 1.7329778321292635
Energy: 1.9463079092419704
Energy: 1.8266220493934802
Energy: 1.7355140528481146
Energy: 1.828454010198062
Energy: 1.928262909784143
Energy: 1.7332885696502067
Energy: 1.826109697504577
Energy: 1.944670341781939
Energy: 1.9288171394843918
Energy: 1.9495046112016485
Energy: 1.71791253036605
Energy: 1.7447322216464827
Energy: 1.7353927653145786
Energy: 1.736090039503404
Energy: 1.7353814489370452
Energy: 1.7353470420528856
Energy: 1.7106678577915455
Energy: 1.7292860457068084
Energy: 1.9368590332414317
Energy: 1.7112752253619228
Energy: 1.7095502893839605
Energy: 1.7108651878475172
Energy: 1.9373281396470772
Energy: 1.782500009827389
Energy: 1.729280274711949
Energy: 1.9375629445743165
Energy: 1.7516998549013991
Energy: 1.7920521592028296
Energy: 1.7446484297223417
Energy: 1.7567433671976518
Energy: 1.758282321834295
Energy: 1.9372311752231097
Energy: 1.7801133467979606
Energy: 1.7117928388823105
Energy: 1.7583161582843043
Energy: 1.8234085410376035
Energy: 1.9381273984569791
Energy: 1.712735463844681
Energy: 1.756271325950749
Energy: 1.9375544230111321
Energy: 1.7283915200202746

minimum gb energy = 1.6736844690235824 eV
minimum distance =  2.57762207697704 Angstroms
sigma value = 27


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

Energy: 1.7842340370098082
Energy: 1.7529647474195222
Energy: 1.7519318544322644
Energy: 1.7543424264881684
Energy: 1.7520812374711272
Energy: 1.6986219904493152
Energy: 1.6863258579442801
Energy: 1.6900760677744378
Energy: 1.7449398894827337
Energy: 1.7675215110538383
Energy: 1.6905331633702596
Energy: 1.700622168076974
Energy: 1.6837711117650798
Energy: 1.68471512409216
Energy: 2.1599112968284513
Energy: 1.970143139130855
Energy: 1.685797514434561
Energy: 1.6872349847430779
Energy: 1.6848455201367234
Energy: 1.686623870262928
Energy: 1.7515699736307393
Energy: 1.7228955448913377
Energy: 1.8364568167102846
Energy: 1.6850334315664661
Energy: 1.6833213136159515
Energy: 1.835717637951234
Energy: 1.701008863362926
Energy: 1.7004715623406579
Energy: 1.836010075288161
Energy: 2.0313046088697417
Energy: 1.6917980978194027
Energy: 2.00609064746843
Energy: 1.8145750618531822
Energy: 1.7008150280822003
Energy: 1.8126870726120727
Energy: 1.6900096696485356
Energy: 1.686604775785028
Energy: 1.836216529852054
Energy: 1.8145287193112445
Energy: 1.725384771134734
Energy: 1.8129823569502805
Energy: 1.6908119436031908
Energy: 1.6862746148573395
Energy: 2.031700283313788
Energy: 1.7011204423553345
Energy: 1.7230136677669237
Energy: 2.0347787136092585
Energy: 1.687566266777535
Energy: 1.6845892044560158
Energy: 1.6870720037129057
Energy: 1.685530153380698
Energy: 1.7653402625253067
Energy: 1.687628892713834
Energy: 1.6852890093484678
Energy: 1.6847645296961018
Energy: 1.7499988150175616
Energy: 1.6873738954241344
Energy: 1.7651159056851675
Energy: 1.9553360192755425
Energy: 1.7501113069752439
Energy: 1.7622831767416087
Energy: 1.9559594041105146
Energy: 1.7521752783171343
Energy: 1.7541615333742986
Energy: 1.70157221925176
Energy: 1.682547320215182
Energy: 1.762258938439686
Energy: 1.9673468891019834
Energy: 1.7525196422428473
Energy: 1.7519231486277502
Energy: 1.7007540664522036
Energy: 1.7446947351788344
Energy: 1.75145632527964
Energy: 1.6881537177751176
Energy: 1.6836584486282384
Energy: 1.681975450501912
Energy: 1.9550776717193403
Energy: 1.7533482442136947
Energy: 1.751775362324751
Energy: 1.7011822777738275
Energy: 1.6904002036337278
Energy: 1.809581857724053
Energy: 1.9871474236452429
Energy: 1.7258556981377615
Energy: 1.6831050647505919
Energy: 1.9552069117150954
Energy: 1.6859573947981497
Energy: 1.6863234942395133
Energy: 1.6849278455516994
Energy: 2.159894850832457
Energy: 1.6832837505903961
Energy: 1.8349762361671742
Energy: 1.717224487475901
Energy: 1.6910134935296843
Energy: 1.685927055101506
Energy: 1.7013850489005602
Energy: 1.7016763482996244
Energy: 1.8365075791051655
Energy: 2.031254960540362
Energy: 1.6849861554684191
Energy: 2.0339023661717457
Energy: 1.7019806904712533
Energy: 1.7250075544240777
Energy: 1.8162704892216275
Energy: 1.6895477489054964
Energy: 1.6847718571517976
Energy: 1.8129654270865265
Energy: 1.81272793098323
Energy: 1.724055139366703
Energy: 1.8156516488845331
Energy: 1.6893269343012098
Energy: 1.6861604763673157
Energy: 1.813770262165824
Energy: 1.8123489218423698
Energy: 1.723280233100203
Energy: 1.8363697869416733
Energy: 2.0317580907414423
Energy: 1.6863066936211155
Energy: 2.0317675868623377
Energy: 1.7018299131927772
Energy: 1.765269560004885
Energy: 1.8376935254749858
Energy: 1.7173406830173115
Energy: 1.691139095651705
Energy: 1.6866314888376581
Energy: 1.700739420781195
Energy: 1.6824839951432626
Energy: 1.954715683396359
Energy: 1.686361378588399
Energy: 1.6853301798572486
Energy: 1.6847621046980397
Energy: 1.9552199735819333
Energy: 1.7531460014455054
Energy: 1.7003988859452461
Energy: 1.6862857439216974
Energy: 1.7622058767145472
Energy: 1.967343337208723
Energy: 1.753664007118083
Energy: 1.752029214946135
Energy: 1.7548777734720045
Energy: 1.9527591814556717
Energy: 1.7625459333187092
Energy: 1.7012846537426773
Energy: 1.7532386733322767
Energy: 1.809443017487361
Energy: 1.966786134224861
Energy: 1.7013344242314696
Energy: 1.751649592416749
Energy: 1.701830448352504
Energy: 1.6852421482594608

minimum gb energy = 1.681975450501912 eV
minimum distance =  2.62044892694698 Angstroms
sigma value = 19


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

Energy: 1.8112893364758957
Energy: 1.7218109484195065
Energy: 1.7215505871146433
Energy: 1.7223951180179793
Energy: 1.721613067040747
Energy: 1.6713227436116624
Energy: 1.6626428467115693
Energy: 1.6529176551817921
Energy: 1.692550387119716
Energy: 1.7225033203016014
Energy: 1.6535661877174328
Energy: 1.6647801506750852
Energy: 1.649129616963227
Energy: 1.6493014611709338
Energy: 2.171151731360505
Energy: 2.1717625853182896
Energy: 1.655299674160246
Energy: 1.6490721260357666
Energy: 1.6493469677073742
Energy: 1.649336827734971
Energy: 1.733026186702959
Energy: 1.6642853621831173
Energy: 1.6693072565372258
Energy: 1.64878577695848
Energy: 1.6338998723695466
Energy: 1.8274948176686021
Energy: 1.6533118672284555
Energy: 1.669788414025548
Energy: 1.7563954288873744
Energy: 2.047447051189637
Energy: 1.6524722202668085
Energy: 1.6688266802409781
Energy: 1.668753483506148
Energy: 1.6698881872611424
Energy: 1.7562429888554338
Energy: 1.6539323672266224
Energy: 1.668985182725775
Energy: 1.8691307237594563
Energy: 1.8866040546745166
Energy: 1.827453230593789
Energy: 1.8865166458246656
Energy: 1.8277597495507687
Energy: 1.6694779513924185
Energy: 1.8876345910954335
Energy: 1.65309756576619
Energy: 1.6554369595075915
Energy: 1.6689144479649272
Energy: 1.6693436104132418
Energy: 1.6611512640161898
Energy: 1.755755197659885
Energy: 1.8278361016485236
Energy: 1.6494890365184525
Energy: 1.7564265043152698
Energy: 1.7576134378672035
Energy: 1.663957502944611
Energy: 1.6694288630408958
Energy: 1.6493158341242677
Energy: 1.6493290709530777
Energy: 2.048141980394065
Energy: 1.66513601246617
Energy: 1.6457546237706662
Energy: 1.6536449505628974
Energy: 1.6534074771499716
Energy: 1.653304967068805
Energy: 1.6491706118179599
Energy: 1.6533888287002758
Energy: 1.736699058126516
Energy: 1.6534261907601837
Energy: 1.7327573122304798
Energy: 1.6628117273956113
Energy: 1.7357457186230751
Energy: 1.6920562730611908
Energy: 1.7223660191756003
Energy: 1.721650230616889
Energy: 1.6499264840574113
Energy: 1.6511088722670162
Energy: 1.6645573652722856
Energy: 1.7217243583361963
Energy: 1.7212954423280395
Energy: 1.6646075277027796
Energy: 1.6923500303818506
Energy: 1.7325745343060732
Energy: 1.6532785276580018
Energy: 1.7214264381400124
Energy: 1.6587113847583506
Energy: 1.9503285096158467
Energy: 1.7221761101423336
Energy: 1.7210049582197051
Energy: 1.6501277001909667
Energy: 1.6600730320937052
Energy: 1.7723297021568745
Energy: 1.7937510859811512
Energy: 1.6647836757408128
Energy: 1.7210102866424304
Energy: 1.6648491148064866
Energy: 1.7090687707051992
Energy: 1.6490721476436982
Energy: 1.6499093905356785
Energy: 2.17347758455917
Energy: 1.6605510159807682
Energy: 2.05778002708195
Energy: 1.6496053382677436
Energy: 1.653150701557774
Energy: 1.6535288373938666
Energy: 1.6532920830768167
Energy: 1.6674064593783577
Energy: 1.6628443097126586
Energy: 1.6533537056206813
Energy: 1.6341215933002105
Energy: 2.0477184980380003
Energy: 1.6691188666356434
Energy: 1.6690978432582309
Energy: 1.8240563205105609
Energy: 2.0477176196558533
Energy: 1.6525966245749708
Energy: 1.668562242031173
Energy: 1.7555926836691897
Energy: 1.653649415411919
Energy: 1.7567985021536277
Energy: 1.6536404447555788
Energy: 1.6684822259107608
Energy: 1.6692083146641608
Energy: 1.886897865937911
Energy: 1.6652953309734295
Energy: 1.8871847935650274
Energy: 1.6697086481927048
Energy: 1.665128318154526
Energy: 1.8859382695349685
Energy: 1.6687420545391825
Energy: 1.6686313986898298
Energy: 1.9742273616863308
Energy: 1.886603534114795
Energy: 1.6535117340024292
Energy: 1.7561246549349645
Energy: 1.6690812131720094
Energy: 1.649701607795374
Energy: 1.7561945314822698
Energy: 1.7576461721292225
Energy: 1.6690593437719259
Energy: 1.6692581244643774
Energy: 2.048266405933418
Energy: 1.6493668698415012
Energy: 2.047336865188688
Energy: 1.6702097860044258
Energy: 1.7365413743493232
Energy: 1.65341379224467
Energy: 1.6531573961606516
Energy: 1.653070493736283
Energy: 1.6504620737505704
Energy: 1.664464608302369
Energy: 1.6457742989059194
Energy: 1.9501586937646496
Energy: 1.734274914997399
Energy: 1.6496530863685988
Energy: 1.8411443691751965
Energy: 1.9507844317239054
Energy: 1.720736626298135
Energy: 1.6644042975043172
Energy: 1.6490710400065998
Energy: 1.6502036658440635
Energy: 1.9501199972360557
Energy: 1.7219625408163752
Energy: 1.7211252431329271
Energy: 1.7214134962808172
Energy: 1.9452430210624305
Energy: 1.7359302004070538
Energy: 1.6647580055641713
Energy: 1.7222662497531853
Energy: 1.6586200779129514
Energy: 1.9506048501836264
Energy: 1.6641898109048454
Energy: 1.7213358164374977
Energy: 1.664877011362392
Energy: 1.6342662582820588

minimum gb energy = 1.6338998723695466 eV
minimum distance =  2.5974108952807 Angstroms
sigma value = 101


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

Energy: 1.6711933658489593
Energy: 1.6580895797403319
Energy: 1.6589385325570907
Energy: 1.6828869754696751
Energy: 1.6582908011151922
Energy: 2.159892351647553
Energy: 1.5934340333654877
Energy: 1.6122327330885449
Energy: 1.6451638464842067
Energy: 1.6110131151173066
Energy: 1.6454353151237011
Energy: 1.5914277735889661
Energy: 1.594410043974164
Energy: 1.5984164856290504
Energy: 2.160983763725625
Energy: 2.160328784000279
Energy: 1.5937924049593777
Energy: 1.5977405375526603
Energy: 1.6109105331382878
Energy: 1.611692880593324
Energy: 1.6841673614732824
Energy: 1.6181377370393992
Energy: 1.5941482948013366
Energy: 1.612520024618661
Energy: 1.5865167648219498
Energy: 1.7883977933881534
Energy: 1.594045850810313
Energy: 1.593519524489928
Energy: 1.591235370082267
Energy: 1.9199953044144373
Energy: 1.6107048799161445
Energy: 1.5981708307337672
Energy: 1.5924743419402598
Energy: 1.5910374163823537
Energy: 1.5910374185004568
Energy: 1.612774269438743
Energy: 1.5976251208592271
Energy: 1.7334177804204334
Energy: 1.8777498025262078
Energy: 1.8776659887637268
Energy: 1.8293283487895264
Energy: 1.7343569576161288
Energy: 1.5986567082231264
Energy: 1.7330058324504136
Energy: 1.5910363006858104
Energy: 1.5928953267309263
Energy: 1.590646406681743
Energy: 1.5978342148779798
Energy: 1.6120733693596518
Energy: 1.8194460635835914
Energy: 1.8301542783990519
Energy: 1.590958432872529
Energy: 1.8296246919439278
Energy: 1.8193118275261408
Energy: 1.6125689411338173
Energy: 1.5988756686989314
Energy: 1.5909681883678837
Energy: 1.5907602365151612
Energy: 1.8786287882486865
Energy: 1.5976635076269785
Energy: 1.5943243447172284
Energy: 1.6990997643271508
Energy: 1.5946269687243628
Energy: 1.5950353949326717
Energy: 1.594440868242274
Energy: 1.5920827687150856
Energy: 1.5934961791695648
Energy: 2.0448970119646397
Energy: 1.6813045584891049
Energy: 1.5905972133082515
Energy: 1.5939392256134435
Energy: 1.594729844768551
Energy: 1.6115687398588114
Energy: 1.5990359303974937
Energy: 1.5943336748301031
Energy: 1.591389050603629
Energy: 1.5943514036883641
Energy: 1.6117370857758895
Energy: 1.5934994988595956
Energy: 1.6806262403244838
Energy: 1.5912027013517231
Energy: 1.6077242017437563
Energy: 1.5944247765584716
Energy: 1.7018330315963988
Energy: 1.5951684722000314
Energy: 1.5913078032908667
Energy: 1.6774344784792579
Energy: 1.6786270093495577
Energy: 1.6591734931496258
Energy: 1.6074393277598373
Energy: 1.609746528784316
Energy: 1.5981360722442393
Energy: 1.590204517470907
Energy: 1.65602517050335
Energy: 1.5919781573807024
Energy: 1.6443737082704024
Energy: 1.6564292534937404
Energy: 1.5946670339357727
Energy: 1.586221977999624
Energy: 1.5866762663116016
Energy: 1.726058509958455
Energy: 1.657263889461844
Energy: 1.6766501164750833
Energy: 1.590944765727857
Energy: 1.6438592442009035
Energy: 1.6574946902204606
Energy: 1.59844712815612
Energy: 1.6188222840628055
Energy: 1.5866265429939164
Energy: 1.5940993269462358
Energy: 1.599146062735277
Energy: 1.5943959333534146
Energy: 1.593700734359757
Energy: 2.1611410024800546
Energy: 1.6358082126046636
Energy: 1.5985560152816904
Energy: 1.6128248758505033
Energy: 1.6114593223437612
Energy: 1.613107916676631
Energy: 1.7061248597100906
Energy: 1.5905461754378456
Energy: 1.590755465003919
Energy: 2.0428639920515326
Energy: 1.587122046966102
Energy: 1.7880113112862661
Energy: 1.5908971044399827
Energy: 1.5910013646856336
Energy: 1.5913566391286016
Energy: 1.59829851925893
Energy: 1.6112996340799646
Energy: 1.5947142924938582
Energy: 1.5911972026046004
Energy: 1.6177676375595673
Energy: 1.8782177465787848
Energy: 1.5981127291596096
Energy: 1.5995381675966216
Energy: 1.8304135897129807
Energy: 1.8778222997813656
Energy: 1.5908248759684414
Energy: 1.591328839966192
Energy: 1.733129909965648
Energy: 1.598091082864185
Energy: 1.8168794187362187
Energy: 1.5924858202390773
Energy: 1.59019763553567
Energy: 1.8319071162143967
Energy: 1.8155709409505258
Energy: 1.6119249643600586
Energy: 1.8180451925840857
Energy: 1.5930616674062048
Energy: 1.590752935475669
Energy: 1.8785494676558814
Energy: 1.5980391975418624
Energy: 1.6000371650722116
Energy: 1.597682987846812
Energy: 1.879420016763048
Energy: 1.5917872781700515
Energy: 1.5943601755895225
Energy: 1.7913046684788572
Energy: 1.610783517781757
Energy: 1.5913892265302505
Energy: 1.5917099121644744
Energy: 1.590812670234242
Energy: 1.5909601927429142
Energy: 2.044098241967957
Energy: 1.5943824378880802
Energy: 2.044142803725321
Energy: 1.5930721001023909
Energy: 1.6087731870044848
Energy: 1.5943792786923234
Energy: 1.612068199636751
Energy: 1.6120415049500605
Energy: 1.6121974551266622
Energy: 1.5924940903798335
Energy: 1.591277873115885
Energy: 1.5942893370707731
Energy: 1.680081694719413
Energy: 1.5936727083606588
Energy: 1.7025779949790982
Energy: 1.5951560017186026
Energy: 1.676585824025888
Energy: 1.592117377376911
Energy: 2.0453023944327424
Energy: 1.5958620846725518
Energy: 1.5956890001775768
Energy: 1.6771386732302676
Energy: 1.6563888947733616
Energy: 1.7910394228789606
Energy: 1.5941771232692459
Energy: 1.5969841169738228
Energy: 1.5912713819949358
Energy: 1.657537594548346
Energy: 1.62833893131461
Energy: 1.892430377968065
Energy: 1.5919089109152373
Energy: 1.6570321259196408
Energy: 1.5921877604807657
Energy: 1.6044415997583203

minimum gb energy = 1.586221977999624 eV
minimum distance =  2.59792395927559 Angstroms
sigma value = 33


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

Energy: 0.019530892792639306
Energy: 0.14028719896724054
Energy: 0.13714696654015374
Energy: 0.13723045189171398
Energy: 0.13944927925045136
Energy: 0.020085430003359404
Energy: 0.13746128719906425
Energy: 0.13807006011912357
Energy: 0.13767390895278103
Energy: 0.1387542778941053
Energy: 0.13797967822936913
Energy: 0.13727121522086275
Energy: 1.3220442190857853
Energy: 0.13766278173111782
Energy: 0.02027345886364397
Energy: 0.021877648872451735
Energy: 0.1381962337029861
Energy: 0.13721951153129316
Energy: 0.02018121987427429
Energy: 0.13807006011912357
Energy: 0.13767390895278103
Energy: 0.1387542778941053
Energy: 0.13797967822936913
Energy: 0.13727121522086275

minimum gb energy = 0.019530892792639306 eV
minimum distance =  2.82980222919296 Angstroms
sigma value = 1