Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.589836478233337
cohesive_energy=3.5173113226742925
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.60183216602369e-19, 2.2777824770251198e-19, 2.7910397617270196e-19, 3.2072692294738797e-19, 3.5557907126679e-19, 3.85594248328146e-19, 4.1186994512574594e-19, 4.34487872667924e-19, 4.54202656149294e-19, 4.71478926793716e-19, 4.8663711992799e-19, 4.99920766400484e-19, 5.11533342643716e-19, 5.21643077204256e-19, 5.304021768623339e-19, 5.37958041868278e-19, 5.444260289397359e-19, 5.498445903159239e-19, 5.54247371706156e-19, 5.5771127758886395e-19, 5.60310008089212e-19, 5.621060480959259e-19, 5.631522694379279e-19, 5.63490328707702e-19, 5.631282367884179e-19, 5.61961852198866e-19, 5.59853387748522e-19, 5.56649034480522e-19, 5.5218216602493e-19, 5.46274940775372e-19, 5.3869183876665e-19, 5.29019498427192e-19, 5.167756645901639e-19, 5.014941038550719e-19, 4.826300761663559e-19, 4.59494645571396e-19, 4.3121783015793e-19, 3.9673097811107997e-19, 3.5471069153116195e-19, 3.0334010211521998e-19, 2.4032649509999997e-19, 1.6283081349005399e-19, 6.73990848978048e-20, -5.0561490215772e-20, -1.9900475753250598e-19, -3.8691764622783e-19, -6.2697978218322e-19, -9.375216682682698e-19, -1.3445370181929959e-18, -1.88837344613142e-18, -2.62814646334824e-18, -3.6521295936703194e-18, -5.08014962755452e-18, -6.99587222882832e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1.33896697780266e-24 eV

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

Energy: 0.013755587487433375
Energy: 0.01418716172535822
Energy: 0.014080043888489694
Energy: 0.014032910746203858
Energy: 0.44681356831691926
Energy: 0.01409425103211846
Energy: 0.01418716172535822
Energy: 0.11228175521380067
Energy: 0.11233259535936582
Energy: 0.1124456378092763
Energy: 0.11218868614446219
Energy: 0.1135752683154914
Energy: 0.014080043888171674
Energy: 0.11233259535936582
Energy: 0.11345771248355073
Energy: 0.01408765291562291
Energy: 0.11228896681977311
Energy: 0.11329931863032722
Energy: 0.014032910746203858
Energy: 0.11244563780895829
Energy: 0.01408765291562291
Energy: 0.014067169137327477
Energy: 0.11218029127787602
Energy: 0.014116513146570763
Energy: 0.4468135683166365
Energy: 0.11218868614446219
Energy: 0.11228896681977311
Energy: 0.11218029127787602
Energy: 0.11230141446824453
Energy: 0.11223070070033798
Energy: 0.01409425103211846
Energy: 0.1135752683154914
Energy: 0.11329931863032722
Energy: 0.014116513146570763
Energy: 0.11223070070033798
Energy: 0.014064121455038513

minimum gb energy = 0.013755587487433375 eV
minimum distance =  2.53581842249458 Angstroms
sigma value = 1


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

Energy: 1.2675579447864098
Energy: 0.8342567640362751
Energy: 0.8594413280655924
Energy: 0.8041765541652297
Energy: 1.223324136638365
Energy: 0.8588344670024582
Energy: 1.2078339814911332
Energy: 0.7871804703771169
Energy: 0.7833308589312358
Energy: 0.7615919465986151
Energy: 0.8109933586403989
Energy: 0.7888637753422398
Energy: 1.1899461145843377
Energy: 0.7983891852055259
Energy: 0.7835415186007912
Energy: 0.7901106372193514
Energy: 0.7983484872447112
Energy: 0.7947481305468083
Energy: 1.2762112130136598
Energy: 0.7948690927374463
Energy: 0.8009464014535584
Energy: 0.7897666184348876
Energy: 0.7940250950718732
Energy: 0.80117425648043
Energy: 1.1700953719980676
Energy: 0.7955068351427106
Energy: 0.8057438416703981
Energy: 0.7852555283182356
Energy: 0.7344951662285216
Energy: 0.8044700775081712
Energy: 1.161344779619827
Energy: 0.8245477641880541
Energy: 0.8168539039225144
Energy: 0.7893796183408133
Energy: 0.7949619928040313
Energy: 0.7923449018950495
Energy: 1.1619986472449872
Energy: 0.7428823314847646
Energy: 0.7460683812569292
Energy: 0.7899788890847894
Energy: 0.7332934487136111
Energy: 0.8155875366970888
Energy: 1.077792626954471
Energy: 0.7836129746083528
Energy: 0.8176394456163674
Energy: 0.7341496475078162
Energy: 0.7828123196513258
Energy: 0.7467137270282768
Energy: 0.9432252204576719
Energy: 0.7887457507328574
Energy: 0.7882293932047715
Energy: 0.7926122150589083
Energy: 0.7897017322877953
Energy: 0.803658224419107
Energy: 0.938151569174558
Energy: 0.7810543272186916
Energy: 0.8055142564366409
Energy: 0.7339492034491021
Energy: 0.7859564260544619
Energy: 0.8061875652796371
Energy: 0.927887406369795
Energy: 0.7905611998276437
Energy: 0.7926796618957193
Energy: 0.8278153344383451
Energy: 0.7890230117085524
Energy: 0.8047291600931564
Energy: 0.8371486248976966
Energy: 0.786321322399359
Energy: 0.7901454231483654
Energy: 0.8374426209363673
Energy: 0.8012831813974401
Energy: 0.7879226356357765
Energy: 0.8360802900145482
Energy: 0.7812617404645259
Energy: 0.780450213292741
Energy: 0.8149672687554419
Energy: 0.8045111533915309
Energy: 0.7935293724454799
Energy: 0.9309886424611811
Energy: 0.8020893767461531
Energy: 0.8010247632950366
Energy: 0.799895210607386
Energy: 0.78953214163209
Energy: 0.7952987286267755
Energy: 0.8699907007838338
Energy: 0.7854147461325715
Energy: 0.8042880470382824
Energy: 0.8125132192466064
Energy: 0.7631469432897445
Energy: 0.7953031539831862
Energy: 0.8704120839169796
Energy: 0.7828622198162034
Energy: 0.7970690108667988
Energy: 0.8204472726536154
Energy: 0.7852766882729201
Energy: 0.8104872823015665
Energy: 1.0829474466539881
Energy: 0.7902706475232835
Energy: 0.8050834424901959
Energy: 0.7902623877917409
Energy: 0.7879407520971381
Energy: 0.8029193205065672
Energy: 1.0481810977423553
Energy: 0.7907326521080991
Energy: 0.7373878832932997
Energy: 0.7949620095245865
Energy: 0.737904934683924
Energy: 0.8216779142568772
Energy: 1.0494093589554205
Energy: 0.8086875442783265
Energy: 0.8218781707493628
Energy: 0.7887319746763998
Energy: 0.792287379779438
Energy: 0.8211283028746775
Energy: 1.1219365016818217
Energy: 0.7924068725390268
Energy: 0.8221365039728792
Energy: 0.7889169792500557
Energy: 0.7895877123402194
Energy: 0.8214616495120393
Energy: 1.2098029452576795
Energy: 0.796964655534619
Energy: 0.7892136239711277
Energy: 0.7883104953832027
Energy: 0.7898510351777651
Energy: 0.7917011627719026
Energy: 1.2199236688879473
Energy: 0.8252189916645638
Energy: 0.8039052602874371
Energy: 0.7833835161899142
Energy: 0.8230264937210763
Energy: 0.7962618547717135
Energy: 1.2077827420037286
Energy: 0.7878371671087007
Energy: 0.7875052934589644
Energy: 0.7856527977672811
Energy: 0.8126871174424675
Energy: 0.7810054029378333

minimum gb energy = 0.7332934487136111 eV
minimum distance =  2.3704429637506 Angstroms
sigma value = 33


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

Energy: 1.5534134969400626
Energy: 0.8540291957185747
Energy: 0.8353324804697354
Energy: 0.8356378986445131
Energy: 0.8407035682150941
Energy: 0.8352357186270136
Energy: 1.1388144692974338
Energy: 0.8647718000718829
Energy: 0.8279902201191591
Energy: 0.842696695374557
Energy: 0.8768899814583889
Energy: 0.8153301751679422
Energy: 1.1571113040186254
Energy: 0.8678437362661555
Energy: 0.8301080507057877
Energy: 0.8422361444610623
Energy: 0.8717633867265389
Energy: 0.8600124820812584
Energy: 1.2421634295774142
Energy: 0.8554226083689677
Energy: 0.8504627206151387
Energy: 0.8005071091752379
Energy: 0.8893866748397841
Energy: 0.8003214015421471
Energy: 1.1172738282486794
Energy: 0.8653093687015475
Energy: 0.8722707391611337
Energy: 0.8051555335200872
Energy: 0.8650725338330063
Energy: 0.839141781344945
Energy: 1.1998668861761934
Energy: 0.8740798945459114
Energy: 0.8540399328801416
Energy: 0.8485206150439256
Energy: 0.8728243804830426
Energy: 0.8527808181585339
Energy: 1.1986195965332216
Energy: 0.8278418920938784
Energy: 0.85355118416613
Energy: 0.8481898190543954
Energy: 0.8278008555688677
Energy: 0.8520179925463651
Energy: 1.0346278429623594
Energy: 0.8246737325825273
Energy: 0.8404619866767054
Energy: 0.8617802858724882
Energy: 0.8397395061857938
Energy: 0.8402570389343343
Energy: 0.9651524831741335
Energy: 0.8073492949297699
Energy: 0.8583846409220401
Energy: 0.8759042224006246
Energy: 0.8167534693024547
Energy: 0.8579120255967072
Energy: 0.9650136512868427
Energy: 0.8318885843190605
Energy: 0.8234041564652127
Energy: 0.8186822711858361
Energy: 0.7917627038915775
Energy: 0.8543976444770446
Energy: 0.9697033077511541
Energy: 0.811065773692019
Energy: 0.8115346501693247
Energy: 0.853470019072412
Energy: 0.8062205555304485
Energy: 0.8055196257663771
Energy: 0.8872574504924915
Energy: 0.7904301189019874
Energy: 0.8158842122605752
Energy: 0.846502644347897
Energy: 0.8271341355334608
Energy: 0.8312815674331098
Energy: 0.8848329716582369
Energy: 0.8358920930827454
Energy: 0.8592249139898688
Energy: 0.8738256145016582
Energy: 0.8642502006515039
Energy: 0.8124628032287516
Energy: 0.9703746409438625
Energy: 0.8005455045395916
Energy: 0.8034773455523401
Energy: 0.8719057182322058
Energy: 0.8034038903636334
Energy: 0.8067234601816936
Energy: 0.9585959791568547
Energy: 0.8102444567157817
Energy: 0.849420958958893
Energy: 0.8393887396966685
Energy: 0.7999415107813722
Energy: 0.8272776729263367
Energy: 0.9597955733249819
Energy: 0.8024572926799861
Energy: 0.8141069999819178
Energy: 0.8405527956756655
Energy: 0.7688743150288709
Energy: 0.8176778910819531
Energy: 1.0039133208760695
Energy: 0.7902409848853891
Energy: 0.7809217877507912
Energy: 0.7909487774779552
Energy: 0.7809607069913524
Energy: 0.8137029911560956
Energy: 1.0942765910571322
Energy: 0.8135745852659801
Energy: 0.8241233112182902
Energy: 0.825006445834809
Energy: 0.7863511799311667
Energy: 0.8402623411751075
Energy: 1.0949464309636185
Energy: 0.8406180261506453
Energy: 0.8303912244619911
Energy: 0.8153584681282584
Energy: 0.8408918224690031
Energy: 0.7640417040316548
Energy: 1.0039202995183003
Energy: 0.7814212166334313
Energy: 0.8494741648784496
Energy: 0.7723102282044476
Energy: 0.7803847965777956
Energy: 0.8298974528944263
Energy: 1.3053881677766608
Energy: 0.7966234260089468
Energy: 0.7968151208851969
Energy: 0.7971361486033606
Energy: 0.800741262002715
Energy: 0.796715522001334
Energy: 1.0044427692716058
Energy: 0.7937327128664001
Energy: 0.7915515806790046
Energy: 0.7723955752136148
Energy: 0.8147454522774068
Energy: 0.7863738100027371
Energy: 1.004040260745298
Energy: 0.8393426376732116
Energy: 0.8064579832104772
Energy: 0.7601843744796226
Energy: 0.8140146277014817
Energy: 0.8044466480589985
Energy: 1.2927628196890635
Energy: 0.8975666167538972
Energy: 0.8232759162846796
Energy: 0.8027665055668399
Energy: 0.8983596448292914
Energy: 0.8403364787028464
Energy: 1.0033161537844408
Energy: 0.8531249139282658
Energy: 0.8009680279656901
Energy: 0.7622382954374445
Energy: 0.8397092471423304
Energy: 0.8006828305874623
Energy: 1.1189016186363792
Energy: 0.8335236726597203
Energy: 0.8343281659354437
Energy: 0.8267955930496689
Energy: 0.8607657129566404
Energy: 0.835924296123556
Energy: 1.1914735144151822
Energy: 0.8383782537173288
Energy: 0.8160034787068896
Energy: 0.835553884145587
Energy: 0.8436297669551114
Energy: 0.8335201453695238
Energy: 1.0932016640671427
Energy: 0.8543256519899286
Energy: 0.8400648310673718
Energy: 0.8053174266419497
Energy: 0.8141255304393699
Energy: 0.8627128787835495
Energy: 0.9649450459824844
Energy: 0.8532242998138051
Energy: 0.8337952795242366
Energy: 0.8128193370750191
Energy: 0.8546990630857817
Energy: 0.8590735955020501
Energy: 0.9651189670798073
Energy: 0.8063605189292369
Energy: 0.8515997812760308
Energy: 0.8078687620380013
Energy: 0.7932956709928376
Energy: 0.8509868206757982
Energy: 0.9670819525991473
Energy: 0.8098872648988001
Energy: 0.8096382227755861
Energy: 0.8174701022499723
Energy: 0.8102087649665134
Energy: 0.8098539203038938
Energy: 0.8861465100805808
Energy: 0.7888066771359987
Energy: 0.8017933576476396
Energy: 0.8446193890841694
Energy: 0.7908371653002495
Energy: 0.8334607661615826
Energy: 0.8842254349337014
Energy: 0.8135557705120113
Energy: 0.8466577013433623
Energy: 0.8639551861640976
Energy: 0.8161027242534253
Energy: 0.810709923141167
Energy: 0.8893246926254992
Energy: 0.8160288696010273
Energy: 0.8065484472290344
Energy: 0.8452195574976268
Energy: 0.803005978120742
Energy: 0.8294434248210106
Energy: 0.9652085139484159
Energy: 0.8162004350778922
Energy: 0.8465459558778672
Energy: 0.8461150603807979
Energy: 0.8156947988964198
Energy: 0.8216672988210177
Energy: 0.964001320330005
Energy: 0.8358080891086269
Energy: 0.8373975813658031
Energy: 0.8778990637654231
Energy: 0.8358493096715306
Energy: 0.846767274723975
Energy: 0.9641794158241976
Energy: 0.8259364165976113
Energy: 0.8257332611144108
Energy: 0.8301583532580475
Energy: 0.8262659081677151
Energy: 0.829523270603614
Energy: 1.0945286680582405
Energy: 0.86348965911626
Energy: 0.8607233914107805
Energy: 0.8151278990784313
Energy: 0.8256237495927682
Energy: 0.859706401669112
Energy: 1.0934497734684336
Energy: 0.8355605973857386
Energy: 0.8709683262144499
Energy: 0.8399760631251041
Energy: 0.84035762455537
Energy: 0.8403288892565273
Energy: 1.116888916735576
Energy: 0.8849850537750141
Energy: 0.8678742092967449
Energy: 0.8041701835580102
Energy: 0.885396196561595
Energy: 0.850352486214081
Energy: 1.2480538018215304
Energy: 0.8278632522726421
Energy: 0.8117855242967752
Energy: 0.8108379447698539
Energy: 0.8425807739745214
Energy: 0.812727155260523

minimum gb energy = 0.7601843744796226 eV
minimum distance =  2.35140358616902 Angstroms
sigma value = 51


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

Energy: 1.3124902314630122
Energy: 0.8289442833686473
Energy: 0.82807809639691
Energy: 0.8131610098204773
Energy: 0.7934560700445924
Energy: 0.880887620846599
Energy: 1.082839406035519
Energy: 0.8660392794674164
Energy: 0.8294573975304654
Energy: 0.7767753618343698
Energy: 0.8659604386867352
Energy: 0.8003525369161913
Energy: 1.1906913184722319
Energy: 0.8453039110841951
Energy: 0.8290795444528772
Energy: 0.8294997932578236
Energy: 0.8669361036688131
Energy: 0.814145155246702
Energy: 1.194709416689176
Energy: 0.8239731835803397
Energy: 0.811698542616376
Energy: 0.8093882383752871
Energy: 0.823994172600351
Energy: 0.8092032140515
Energy: 1.0179369212517702
Energy: 0.8508091717519152
Energy: 0.776188354235167
Energy: 0.7761072656857927
Energy: 0.7942603508100384
Energy: 0.8547552536797756
Energy: 1.017789758692261
Energy: 0.8692809900541816
Energy: 0.8687347293125698
Energy: 0.8501606898867258
Energy: 0.8686736977305658
Energy: 0.8686878028500864
Energy: 1.0176870370035498
Energy: 0.7764843213727504
Energy: 0.7769639334406222
Energy: 0.85017500513718
Energy: 0.7758056629984637
Energy: 0.7760788809300809
Energy: 1.0170630985622309
Energy: 0.8279996333782839
Energy: 0.8277904863028261
Energy: 0.8242121484799715
Energy: 0.8192618153226652
Energy: 0.82775415096022
Energy: 0.8667663195831319
Energy: 0.8284863325023337
Energy: 0.8278040133835841
Energy: 0.8666851041143727
Energy: 0.8263027783780725
Energy: 0.8115102086556937
Energy: 0.8671569522109712
Energy: 0.8253554003834747
Energy: 0.8335783386327192
Energy: 0.8670439794284861
Energy: 0.7943300191936117
Energy: 0.8294078751009667
Energy: 0.8788246446166889
Energy: 0.7878443121376629
Energy: 0.8274063072346366
Energy: 0.8162497559389988
Energy: 0.7881444857255882
Energy: 0.8083493995582767
Energy: 0.9062960638299623
Energy: 0.7928008975793186
Energy: 0.823608952660044
Energy: 0.8437961402333023
Energy: 0.8480259611077774
Energy: 0.8653066069694247
Energy: 0.9057350452497099
Energy: 0.8510228488384541
Energy: 0.8406218724951046
Energy: 0.8737145109413428
Energy: 0.8422043150502896
Energy: 0.8568643871522585
Energy: 0.9066010340897241
Energy: 0.7937483235492055
Energy: 0.7940166801100176
Energy: 0.8333778714182878
Energy: 0.7935657513296203
Energy: 0.8310665690477549
Energy: 1.0820109983184059
Energy: 0.8351930553153596
Energy: 0.8349506568444041
Energy: 0.8452143909310649
Energy: 0.8175628677863448
Energy: 0.8354210086386735
Energy: 1.0843341134102402
Energy: 0.8473717918609373
Energy: 0.8170650527389828
Energy: 0.7843108098970967
Energy: 0.84626568897155
Energy: 0.7858118596080037
Energy: 1.1115886307946443
Energy: 0.8756073219650051
Energy: 0.8464600983031229
Energy: 0.8359171339431134
Energy: 0.8753003986182092
Energy: 0.8175046030607445
Energy: 1.3022971122300255
Energy: 0.844302819303844
Energy: 0.7861248606278746
Energy: 0.8267746301920177
Energy: 0.8439734323126931
Energy: 0.8343421783965588

minimum gb energy = 0.7758056629984637 eV
minimum distance =  2.34819090276574 Angstroms
sigma value = 19


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

Energy: 1.2620010985063745
Energy: 0.929477532896199
Energy: 0.7920763344199974
Energy: 0.8994164377184625
Energy: 0.8113670451382495
Energy: 0.9298792958985121
Energy: 0.8662487539719981
Energy: 0.8317724499971691
Energy: 0.8204239457792717
Energy: 0.8432875058458698
Energy: 0.820609591117421
Energy: 0.8199743767627223
Energy: 0.9552820169499228
Energy: 0.8363589079353039
Energy: 0.8517529492123966
Energy: 0.8367876417032515
Energy: 0.8356496726740084
Energy: 0.835438180487594
Energy: 1.051378849036148
Energy: 0.9196377233079124
Energy: 0.9274788874202817
Energy: 0.9178572258149309
Energy: 0.9194768269511898
Energy: 0.9118799599972601
Energy: 0.9329173473494058
Energy: 0.8513407774344194
Energy: 0.8545234101204526
Energy: 0.845113642948085
Energy: 0.9130135781926737
Energy: 0.8593978931888058
Energy: 0.9406248663191823
Energy: 0.8888585880606537
Energy: 0.9529788950155808
Energy: 0.9516258190592074
Energy: 0.8893956845706454
Energy: 0.9457194155605656
Energy: 0.94159670861189
Energy: 0.8964528654952061
Energy: 0.9353211976341547
Energy: 0.9406780096882356
Energy: 0.8969753466022133
Energy: 0.9413451910527506
Energy: 1.0280859253555026
Energy: 0.8233755763086965
Energy: 0.8235405996059818
Energy: 0.9036346284754094
Energy: 0.7773301907700247
Energy: 0.771426002274787
Energy: 0.908302294726759
Energy: 0.8163937623096985
Energy: 0.8229055193285041
Energy: 0.9080577275123408
Energy: 0.7772232006140318
Energy: 0.7840029770132662
Energy: 0.9091142410497771
Energy: 0.907835699264644
Energy: 0.9083324203001993
Energy: 0.9080443675994381
Energy: 0.9258726396200769
Energy: 0.9272026505653794
Energy: 0.9076840792668589
Energy: 0.9187485691951087
Energy: 0.918784014426719
Energy: 0.9215994555234984
Energy: 0.9182770088846246
Energy: 0.9089264453314235
Energy: 1.0004922803299954
Energy: 0.9588238643196475
Energy: 0.9055251680079272
Energy: 0.9101636819425533
Energy: 0.9571719977950975
Energy: 0.9058135226635406
Energy: 0.8882319292195432
Energy: 1.0262418379910156
Energy: 1.0322018873222738
Energy: 0.8903428853151094
Energy: 1.031995920979306
Energy: 1.0342762236916703
Energy: 1.0055483558216853
Energy: 1.0238316817735267
Energy: 1.0225663248007846
Energy: 0.9970018199578446
Energy: 1.0240608776333733
Energy: 1.0224851627693141
Energy: 0.7678018544351682
Energy: 0.996311415282409
Energy: 1.007119070004997
Energy: 0.777199445512207
Energy: 1.008862146934014
Energy: 0.7721576313667698
Energy: 1.1183127452881223
Energy: 0.9143051544106431
Energy: 0.7806805371432005
Energy: 0.7773345052247569
Energy: 0.9435435998999884
Energy: 0.7771854176603413
Energy: 1.039608315535969
Energy: 1.008968697266176
Energy: 1.0086886578895982
Energy: 0.9359027417314203
Energy: 1.0074797506397168
Energy: 1.0071158058277354
Energy: 1.0487616624153568
Energy: 1.0083696747848534
Energy: 1.0092247486332748
Energy: 0.9175419511777659
Energy: 1.0069767672009893
Energy: 1.0076612378927223
Energy: 1.0486645878089307
Energy: 0.9101147525600334
Energy: 0.9105462548625781
Energy: 0.9175689916372561
Energy: 0.9088867345407929
Energy: 0.9548788915488955
Energy: 1.0211136955586224
Energy: 0.8886113426086584
Energy: 0.9397106059847931
Energy: 1.0387404698539866
Energy: 0.8892655125773953
Energy: 0.9537343167698947
Energy: 1.0603671912702355
Energy: 0.9441261530821867
Energy: 0.9386405903742739
Energy: 0.9393976194957034
Energy: 1.021125257360734
Energy: 0.9471794298946671
Energy: 0.9384348361951923
Energy: 0.9393090959914068
Energy: 0.9343022638177012
Energy: 0.9078618486904001
Energy: 0.9467013003182208
Energy: 0.9381956618422346
Energy: 0.9568728857940603
Energy: 0.7722081175039627
Energy: 0.7687629755241094
Energy: 0.9708025413861774
Energy: 0.8145381097323785
Energy: 0.8163533839336137
Energy: 0.9376859807177944
Energy: 0.935476787134609
Energy: 0.940221949281307
Energy: 0.9380288346265908
Energy: 0.8782794592954204
Energy: 0.9071269323404116
Energy: 0.9374066991871867
Energy: 0.9351601352505252
Energy: 0.9398869086139016
Energy: 0.9376727395816861
Energy: 0.9633873736075097
Energy: 0.9372615542661041
Energy: 1.027419114277697
Energy: 0.9176281048810631
Energy: 0.9177398577563032
Energy: 0.8184433783258799
Energy: 0.9177646112449105
Energy: 0.8134946675949963
Energy: 0.9379862908713476
Energy: 0.9536238315029596
Energy: 0.8476354068455086
Energy: 0.8205215245707522
Energy: 0.9528663965208282
Energy: 0.8542610701990865
Energy: 0.8883998772038386
Energy: 0.8584614127962985
Energy: 0.8503106572760681
Energy: 0.8888678405247381
Energy: 0.8503184925191257
Energy: 0.8556810980913181
Energy: 0.9508772185227929
Energy: 0.8621151763405561
Energy: 0.8498100954913814
Energy: 0.8112956111122559
Energy: 0.8653673575877668
Energy: 0.8507737065775639
Energy: 0.8670907211497222
Energy: 0.8525926381907172
Energy: 0.7763457326568165
Energy: 0.7771419511698902
Energy: 0.8226847358363432
Energy: 0.8784931625813571

minimum gb energy = 0.7678018544351682 eV
minimum distance =  2.35099838075266 Angstroms
sigma value = 27


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

Energy: 0.9520814258170541
Energy: 0.9354754442162864
Energy: 1.049063488623738
Energy: 0.7969796315551233
Energy: 0.8166963158584628
Energy: 1.070301509779226
Energy: 0.8502070251046748
Energy: 0.8202707308201668
Energy: 0.7537757857735634
Energy: 0.7513250085774917
Energy: 0.8200894118316704
Energy: 0.7105186078735299
Energy: 0.8587613188813157
Energy: 0.8160411598701168
Energy: 0.7561758251836884
Energy: 0.7111052171576928
Energy: 0.8159519068666025
Energy: 0.7539079701642986
Energy: 0.759130213783114
Energy: 0.7500157252665887
Energy: 0.7116758370831859
Energy: 0.7391414688477101
Energy: 0.7527055169312858
Energy: 0.7112286164178182
Energy: 0.9460511687734934
Energy: 0.7279760409153002
Energy: 0.7114182551569836
Energy: 0.7723618201680753
Energy: 0.7293694210321043
Energy: 0.7107115958602896
Energy: 0.8149403484530818
Energy: 0.7285010293112261
Energy: 0.7276306146836159
Energy: 0.8150085278516696
Energy: 0.7270088755758289
Energy: 0.700869597789723
Energy: 0.8202153394398617
Energy: 0.7500496902710757
Energy: 0.7384342895734456
Energy: 0.8205046029622206
Energy: 0.7489537568871347
Energy: 0.7543562890160382
Energy: 0.821134232424476
Energy: 0.7341556766557253
Energy: 0.7341095213831269
Energy: 0.820935361436912
Energy: 0.7343601590729196
Energy: 0.7346033861456547
Energy: 0.8590384078263543
Energy: 0.7341116346822014
Energy: 0.7113754318485132
Energy: 0.8204807244446468
Energy: 0.7360929642525634
Energy: 0.738864963749586
Energy: 0.757531590802142
Energy: 0.7383038255162416
Energy: 0.7372887786512515
Energy: 0.7951307369629067
Energy: 0.7393654846733805
Energy: 0.7541066814615791
Energy: 0.8590407195847615
Energy: 0.794241621168405
Energy: 0.7932192634193088
Energy: 0.7549592778010603
Energy: 0.7932456262338539
Energy: 0.7924208177263558
Energy: 0.8502070253757232
Energy: 0.7532768536540992
Energy: 0.7536651481786937
Energy: 0.7511577201725638
Energy: 0.7543090377137951
Energy: 0.7108900218661642

minimum gb energy = 0.700869597789723 eV
minimum distance =  2.40942363631572 Angstroms
sigma value = 9


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

Energy: 1.4781645394174237
Energy: 0.9317821472974438
Energy: 0.6998742926118936
Energy: 0.752081207685348
Energy: 0.8679953712696941
Energy: 0.6939963798883051
Energy: 0.7215567552923574
Energy: 0.7044001036889157
Energy: 0.6619361505942848
Energy: 0.6747095485984088
Energy: 0.7037985249687579
Energy: 0.676249927352702
Energy: 0.7301749444466302
Energy: 0.7041943509016688
Energy: 0.6995397664315932
Energy: 0.6942988995861518
Energy: 0.7041044564482012
Energy: 0.6900126452106392
Energy: 0.7302253217786109
Energy: 0.6643386037282655
Energy: 0.6523411098013634
Energy: 0.6807319086763083
Energy: 0.7027010255544669
Energy: 0.6521690859658923
Energy: 0.7736939763897661
Energy: 0.6748607416979118
Energy: 0.6436409572167948
Energy: 0.7050310590159174
Energy: 0.6745507290846966
Energy: 0.6985659493922217
Energy: 0.7188661721977203
Energy: 0.6498271710453783
Energy: 0.6419257877294289
Energy: 0.7188624564112955
Energy: 0.6704923718402839
Energy: 0.6805267607632839
Energy: 0.7194075037056126
Energy: 0.6525417687302384
Energy: 0.6521721078748985
Energy: 0.7204945985861663
Energy: 0.6567289217067932
Energy: 0.7190423805269955
Energy: 0.7190106573492143
Energy: 0.6847542612534654
Energy: 0.6524045573767646
Energy: 0.7191565701658331
Energy: 0.6792758699127733
Energy: 0.6880990438838022
Energy: 0.8517112553424926
Energy: 0.681384978661596
Energy: 0.7018362341976402
Energy: 0.7021675393083964
Energy: 0.6957282027241575
Energy: 0.688337057839457
Energy: 0.6791112899478008
Energy: 0.6562041110721493
Energy: 0.6529010580113046
Energy: 0.6677318188372426
Energy: 0.7009917028388777
Energy: 0.6536938107994972
Energy: 0.67309795770336
Energy: 0.7194135923844839
Energy: 0.7180619002326193
Energy: 0.6855505644837673
Energy: 0.7189494901459405
Energy: 0.688985802697433
Energy: 0.8504069227147908
Energy: 0.7191861911926493
Energy: 0.6966692907613872
Energy: 0.6659416009396888
Energy: 0.7192686240462624
Energy: 0.651892453358976
Energy: 1.3025069123075137
Energy: 0.7980429037009381
Energy: 0.6607924822374651
Energy: 0.6974954272097039
Energy: 0.721336678640606
Energy: 0.7215952214574665
Energy: 0.868781459661148
Energy: 0.6828724105161692
Energy: 0.6871156654089422
Energy: 0.6663489851139699
Energy: 0.7198788792448652
Energy: 0.6892749192142825
Energy: 0.7043936917648683
Energy: 0.6871943026675369
Energy: 0.6870898705668352
Energy: 0.705220064080581
Energy: 0.6896148971034166
Energy: 0.6887560566974535
Energy: 0.7045297111129201
Energy: 0.6670729191196939
Energy: 0.6835884004681354
Energy: 0.7057647177526297
Energy: 0.6912291666024812
Energy: 0.6892083282195954
Energy: 0.7028294787587
Energy: 0.6629542835907659
Energy: 0.6569341107664561
Energy: 0.702624974949893
Energy: 0.6639411475071599
Energy: 0.6754218982121036
Energy: 0.7295827811988146
Energy: 0.6707872201340359
Energy: 0.6880764017607223
Energy: 0.7037390173234844
Energy: 0.6787716230357734
Energy: 0.6877417473224812
Energy: 0.7300954474426308
Energy: 0.6729996902421209
Energy: 0.6726761761340005
Energy: 0.7037315718760955
Energy: 0.6712536495815553
Energy: 0.6730514174028784
Energy: 0.7293680396185328
Energy: 0.6865734450070033
Energy: 0.6717878098713455
Energy: 0.6848100652851673
Energy: 0.685494396830892
Energy: 0.6670673282868094
Energy: 0.7304099864231768
Energy: 0.6802369539628959
Energy: 0.6687684375146886
Energy: 0.6811815169197956
Energy: 0.6972036148941612
Energy: 0.6720726045412199
Energy: 0.7728029169131477
Energy: 0.6940863466212805
Energy: 0.7094482672450696
Energy: 0.6763701083151805
Energy: 0.7041779636295168
Energy: 0.6409618651135202
Energy: 0.7699310912572809
Energy: 0.7036989054010031
Energy: 0.672031201708566
Energy: 0.6759017998195351
Energy: 0.7030269072710746
Energy: 0.6706956156628585
Energy: 0.7297523777669558
Energy: 0.7055173467364905
Energy: 0.6873440726721456
Energy: 0.6822005300378471
Energy: 0.7043696823556376
Energy: 0.6856116634382547
Energy: 0.954881989353126
Energy: 0.6672438622890319
Energy: 0.6673395511764145
Energy: 0.7017604314827218
Energy: 0.7040026075991961
Energy: 0.6906437027185343
Energy: 0.729169830038509
Energy: 0.6654245016924025
Energy: 0.6465496910029866
Energy: 0.7075518232795589
Energy: 0.6658878505964251
Energy: 0.688385823493958
Energy: 0.6688290604776223
Energy: 0.668247893712731
Energy: 0.7150978849390952
Energy: 0.6685250178969748
Energy: 0.667757939427968
Energy: 0.6418180495750636
Energy: 0.7192249478809312
Energy: 0.6530364636081559
Energy: 0.6461409881566113
Energy: 0.7190895165459622
Energy: 0.6657187624491905
Energy: 0.7160692222774222
Energy: 0.7190844324210279
Energy: 0.6807805523717816
Energy: 0.6947843477580616
Energy: 0.718960143761989
Energy: 0.6806932080582306
Energy: 0.703664371143631
Energy: 0.7094617281744812
Energy: 0.67153569786752
Energy: 0.6522077744075973
Energy: 0.7014321225626239
Energy: 0.6794816215765207
Energy: 0.6529117353811685
Energy: 0.6731495707237557
Energy: 0.6640636480079961
Energy: 0.6921699422303914
Energy: 0.6840783408656657
Energy: 0.6804434183415285
Energy: 0.7143106103828734
Energy: 0.6776586083589854
Energy: 0.7133740888938216
Energy: 0.6868155346687667
Energy: 0.6688148159029456
Energy: 0.7190961810319263
Energy: 0.6536988638352575
Energy: 0.8695719148814497
Energy: 0.7195550409376462
Energy: 0.6872157054614064
Energy: 0.7016934096527233
Energy: 0.7211156737152306
Energy: 0.6536176809693841
Energy: 0.7259437805128284
Energy: 0.7195074084604239
Energy: 0.7197112693090314
Energy: 0.6796800174400861
Energy: 0.7193867034980047
Energy: 0.6502144287381838
Energy: 0.7225799229349443
Energy: 0.6897720531316359
Energy: 0.6987552591166577
Energy: 0.6815143879618447
Energy: 0.7050426047280568
Energy: 0.6982230246632792
Energy: 0.7250732146374854
Energy: 0.6883143926758785
Energy: 0.6544286396534631
Energy: 0.6938312292410683
Energy: 0.6909438854677519
Energy: 0.6533651961487343
Energy: 0.7041144202481431
Energy: 0.6915850055817908
Energy: 0.6847782507410073
Energy: 0.705283126988647
Energy: 0.6893069656270181
Energy: 0.6936622330263056
Energy: 0.7035535109565315
Energy: 0.677309051419618
Energy: 0.679432107112873
Energy: 0.7031892665498328
Energy: 0.676313801321687
Energy: 0.682566258109932
Energy: 0.732885584700181
Energy: 0.6620064290589891
Energy: 0.6569191647436018
Energy: 0.7342322768593763
Energy: 0.6622556726041048
Energy: 0.6818206934682162
Energy: 0.7290833602207195
Energy: 0.6776637399209715
Energy: 0.6812649337620201
Energy: 0.7034753767757252
Energy: 0.6766455532579443
Energy: 0.6706223225343448
Energy: 0.7286006597314497
Energy: 0.6711801980114366
Energy: 0.6709337971813712
Energy: 0.683764504378954
Energy: 0.686791393126934
Energy: 0.677175575803201
Energy: 0.7306619693513551
Energy: 0.6871170936500447
Energy: 0.6924228859553777
Energy: 0.6807134184722157
Energy: 0.6866916587139998
Energy: 0.6668892150285597
Energy: 0.769911545909392
Energy: 0.7041235188654318
Energy: 0.684102419597084
Energy: 0.6757606051785779
Energy: 0.7034707434943582
Energy: 0.6568169487490365

minimum gb energy = 0.6409618651135202 eV
minimum distance =  2.37096707008377 Angstroms
sigma value = 57


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

Energy: 0.6876236824342571
Energy: 0.6386268025022713
Energy: 0.36475439973094187
Energy: 0.3404660213794241
Energy: 0.52202147349167
Energy: 0.666618898982066
Energy: 0.6887244574972738
Energy: 0.5555531555545841
Energy: 0.53976495913897
Energy: 0.5553848258159602
Energy: 0.5548759522578596
Energy: 0.5080121455168845
Energy: 0.7646386956462358
Energy: 0.9675267245992395
Energy: 0.516038531124878
Energy: 0.5157735297288318
Energy: 0.5166354877076612
Energy: 0.9283262244047059
Energy: 0.7633103254582727
Energy: 0.7159337346649599
Energy: 0.5368977247308904
Energy: 0.5567396457492797
Energy: 0.7223008484207213
Energy: 0.7096247207048644
Energy: 0.7633847456657537
Energy: 0.45958270584906635
Energy: 0.4616752446013887
Energy: 0.722504486900282
Energy: 0.4575239378078562
Energy: 0.7245442854339907
Energy: 0.7388790987678499
Energy: 0.458940363769291
Energy: 0.4610262335811858
Energy: 0.5903122537919147
Energy: 0.4568888262558102
Energy: 0.43764708782550155
Energy: 0.7380309478417969
Energy: 0.7102986898562782
Energy: 0.5172760763628613
Energy: 0.5967736208901412
Energy: 0.5084732502400295
Energy: 0.7208637599766096
Energy: 0.7377671621847639
Energy: 0.889681186398843
Energy: 0.9559166140465509
Energy: 0.9842433699690158
Energy: 0.9419963190328634
Energy: 0.7305738441651083
Energy: 0.8053227352013651
Energy: 0.7142550570578972
Energy: 0.6939221582972082
Energy: 0.7584707235132079
Energy: 0.7576506688262507
Energy: 0.714982345180862
Energy: 0.5721874315829159
Energy: 0.7526777416589332
Energy: 0.3415418168000519
Energy: 0.33955779896322796
Energy: 0.7270884905825946
Energy: 0.556783332211867
Energy: 0.5722543271489489
Energy: 0.7124914582484775
Energy: 0.7375839613627371
Energy: 0.33971192789928234
Energy: 0.7144696530162724
Energy: 0.5340052354812692
Energy: 0.7073329004866117
Energy: 0.7609695369206783
Energy: 0.7310755650223605
Energy: 0.765425270946008
Energy: 0.7580542630429528
Energy: 0.945053519641928
Energy: 0.7497549615077292
Energy: 0.9263482235260666
Energy: 0.8154120196004577
Energy: 0.5917956088868841
Energy: 0.5110001142824591
Energy: 0.7047408200276144
Energy: 0.7491143610239043
Energy: 0.7205677918992374
Energy: 0.5152838989171202
Energy: 0.5941162776485448
Energy: 0.5804555506763297
Energy: 0.6950538586208013
Energy: 0.7427142627484244
Energy: 0.46095200241879253
Energy: 0.4602302504220989
Energy: 0.5190398746196685
Energy: 0.4574117872334929
Energy: 0.45864582909448953
Energy: 0.7452115941624661
Energy: 0.577113120275736
Energy: 0.5357026170140736
Energy: 0.5573676688603288
Energy: 0.4584199768062673
Energy: 0.7241336011493716
Energy: 0.7475316448102141
Energy: 0.7338340187793722
Energy: 0.5309966936183789
Energy: 0.5572835150914569
Energy: 0.7239133573348244
Energy: 0.7122870971073998
Energy: 0.7630211341104564
Energy: 0.5627237568180599
Energy: 0.5387634195885199
Energy: 0.5180675991125472
Energy: 0.5070057252589001
Energy: 0.9395108744515684
Energy: 0.6887105765227193
Energy: 0.5546901662222902
Energy: 0.5310488194116915
Energy: 0.3396572625425468
Energy: 0.5573203612568537
Energy: 0.5166353258978459

minimum gb energy = 0.33955779896322796 eV
minimum distance =  2.35617488095833 Angstroms
sigma value = 11


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

Energy: 1.1541033461874861
Energy: 0.5182452269708504
Energy: 0.6858388281804145
Energy: 0.5804515614835081
Energy: 0.6452085027714214
Energy: 0.6802254909751672
Energy: 0.539385693253229
Energy: 0.5514288550305099
Energy: 0.5459652027424778
Energy: 0.5356033314222648
Energy: 0.5323493292210383
Energy: 0.5326797723147578
Energy: 0.5384021653482061
Energy: 0.5247016161977974
Energy: 0.525155093550803
Energy: 0.5396378143851344
Energy: 0.5284457918608726
Energy: 0.536226789014321
Energy: 0.5373335864892717
Energy: 0.5616657380464055
Energy: 0.5364390727255567
Energy: 0.5383158303225514
Energy: 0.5368468670015961
Energy: 0.5293372540611025
Energy: 0.5243225982593885
Energy: 0.6587026292247995
Energy: 0.594818836435483
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Energy: 0.5283198826345731
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Energy: 0.5612324573186441
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Energy: 0.5422502418798854
Energy: 0.9666599906111585
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Energy: 0.5905049886081706
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Energy: 0.5430706850634786
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Energy: 0.5094263310286568
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Energy: 0.6528559245395739
Energy: 0.6592891815050167
Energy: 0.657766463375661
Energy: 0.5547671317407274
Energy: 0.6019457020671275
Energy: 0.657408679427788
Energy: 0.6559726391574469
Energy: 0.651439139533472
Energy: 0.6577211174043684
Energy: 0.6137884299102976
Energy: 0.7587190063583544
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Energy: 0.8139390961753997
Energy: 0.6593783423288886
Energy: 0.6578790224153218
Energy: 0.6109504840975114
Energy: 0.6162500646358313
Energy: 0.6585738749842287
Energy: 0.8250004507662807
Energy: 0.6193206264428377
Energy: 0.5361427014327272
Energy: 0.7850837121967406
Energy: 0.7524038151453082
Energy: 0.5348110562968749
Energy: 1.0488906259575057
Energy: 0.6046404189051949
Energy: 0.595223613815527
Energy: 0.5534136919210536
Energy: 0.6112665588296313
Energy: 0.6570907918476983
Energy: 0.8204240404814253
Energy: 0.552708569256853
Energy: 0.5317626475536361
Energy: 0.5370228203540255
Energy: 0.5584406500030341
Energy: 0.5366237211114202
Energy: 0.6825701024570816
Energy: 0.6657859650142461
Energy: 0.5446440287203028
Energy: 0.6697476944578605
Energy: 0.7793491013198702
Energy: 0.5382080005060512
Energy: 0.8130958791118719
Energy: 0.6122541860649704
Energy: 0.5959727352675893
Energy: 0.5889878828795042
Energy: 0.6547725176298202
Energy: 0.5941687476778246
Energy: 0.7690554564506323
Energy: 0.7609834006179573
Energy: 0.5755813535971845
Energy: 0.7686375354957852
Energy: 0.5682864851670707
Energy: 0.6658048169795406
Energy: 0.5336281863098818
Energy: 0.6049407671834643
Energy: 0.5967502360815248
Energy: 0.5345547553080249
Energy: 0.5461364777594293
Energy: 0.5955966208418478
Energy: 0.5315103964196274
Energy: 0.5247900399260835
Energy: 0.5373638628864077
Energy: 0.5318068548256218
Energy: 0.5264892470236167
Energy: 0.5250822591308737
Energy: 0.6277073309518403
Energy: 0.5411507670632699
Energy: 0.531046592225346
Energy: 0.658805468859745
Energy: 0.5374361719665101
Energy: 0.5252598663305529
Energy: 0.5975178806278301
Energy: 0.53587363227874
Energy: 0.53752345601433
Energy: 0.5597474327108457
Energy: 0.5652513955829797
Energy: 0.5119823213373341

minimum gb energy = 0.5094263310286568 eV
minimum distance =  2.3879705490978 Angstroms
sigma value = 41


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

Energy: 1.1172885884051071
Energy: 0.6360083106727447
Energy: 0.6362387094377718
Energy: 0.6864863684675501
Energy: 0.6420060381819895
Energy: 0.6865668138535411
Energy: 0.5911306861567893
Energy: 0.5711209086414333
Energy: 0.5717950677757928
Energy: 0.5696265505201623
Energy: 0.571064553817936
Energy: 0.5704895717630549
Energy: 0.5659525652144958
Energy: 0.5664942730056045
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Energy: 0.572170045507844
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Energy: 0.5672029689763299
Energy: 0.5699411087377412
Energy: 0.5662089772147629
Energy: 0.5644133567596221
Energy: 0.5702587482706788
Energy: 0.5679651219430578
Energy: 0.5901380442143463
Energy: 0.5965954369607199
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Energy: 0.5845994265790869
Energy: 0.5704986205365239
Energy: 0.6283029704456858
Energy: 0.5792875132421449
Energy: 0.589911961946665
Energy: 0.5947766063958826
Energy: 0.5745814527991816
Energy: 0.5884481223217212
Energy: 0.6280610088683675
Energy: 0.5665594291457657
Energy: 0.5659718706858998
Energy: 0.5702289009094178
Energy: 0.5887303998444096
Energy: 0.5710408808878763
Energy: 0.5880805401476149
Energy: 0.627821736127807
Energy: 0.6289641947859463
Energy: 0.5939427069352258
Energy: 0.6271869741605915
Energy: 0.5806704701512065
Energy: 0.6262729926768897
Energy: 0.5699896478764022
Energy: 0.569165460490639
Energy: 0.5883259530149936
Energy: 0.5733717599209853
Energy: 0.5708573172714987
Energy: 0.8126120007102854
Energy: 0.6024840230721962
Energy: 0.5771191838047032
Energy: 0.7575240085812637
Energy: 0.6066404886258511
Energy: 0.5703018050418974
Energy: 0.8123333702544542
Energy: 0.5860423072274827
Energy: 0.5805128873252969
Energy: 0.56929768612314
Energy: 0.6008449242569043
Energy: 0.5759653426970163
Energy: 0.7856663495719108
Energy: 0.5477511626433336
Energy: 0.5457491662325653
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Energy: 0.5769337341355937
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Energy: 0.6286922969350606
Energy: 0.6289901727208118
Energy: 0.5753665708210646
Energy: 0.6277703979553612
Energy: 0.5701414228165795
Energy: 0.5893658226421882
Energy: 0.5693132145575683
Energy: 0.5879463908859647
Energy: 0.566865590146152
Energy: 0.5697505930394244
Energy: 1.034041844557695
Energy: 0.5677962671818292
Energy: 0.6136495747208497
Energy: 0.9011841496095705
Energy: 0.5710114555838309
Energy: 0.6100956537738362
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Energy: 0.5659826779530056
Energy: 0.5650636616873659
Energy: 0.5974336313634505
Energy: 0.5678740457521965
Energy: 0.5481688140867663
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Energy: 0.5663425199474964
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Energy: 0.569876035661044
Energy: 0.5660183861863606
Energy: 0.5708221166774665
Energy: 0.5701355488962814
Energy: 0.5669041981315441
Energy: 0.5678560250730541
Energy: 0.5677569301269141
Energy: 0.5691773111027607
Energy: 0.5674516244046521
Energy: 0.5705636212941401
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Energy: 0.5645414912435699
Energy: 0.5701265700363817
Energy: 0.5752743184334349
Energy: 0.738008001706111
Energy: 0.7389442295748968
Energy: 0.5753587214661011
Energy: 0.7237288023431944
Energy: 0.7387076339863751
Energy: 0.629744434745152
Energy: 0.5767290537446219
Energy: 0.5693940980789293
Energy: 0.5702787984282284
Energy: 0.5650090057305761
Energy: 0.5693444018434356
Energy: 0.588511908889203
Energy: 0.6280476275513845
Energy: 0.5757361096911688
Energy: 0.5938823861808783
Energy: 0.6284728563369837
Energy: 0.5464157493335967
Energy: 0.628420302597017
Energy: 0.565434774824147
Energy: 0.5698293898117764
Energy: 0.5835848642984045
Energy: 0.5684686231381055
Energy: 0.571401575129508
Energy: 0.8120852923356955
Energy: 0.585723390302344
Energy: 0.5867224610466191
Energy: 0.5689419906364501
Energy: 0.5774745901443412
Energy: 0.5908337784474796
Energy: 0.8124705604590848
Energy: 0.5873917886426504
Energy: 0.5871924031068405
Energy: 0.7570340004357953
Energy: 0.6066992198724138
Energy: 0.5696996313047753
Energy: 0.6309379399684776
Energy: 0.5650050016184059
Energy: 0.5850015445134302
Energy: 0.6010149268655542
Energy: 0.549265155863502
Energy: 0.5873538813958387
Energy: 0.577782163821824
Energy: 0.6072249050300733
Energy: 0.6077716203808081
Energy: 0.6066697910936911
Energy: 0.7571219566275529
Energy: 0.6063662474253916
Energy: 0.684200738838471
Energy: 0.5850810422007278
Energy: 0.585063233470821
Energy: 0.6844423415808163
Energy: 0.598543537140908
Energy: 0.5854262242280782
Energy: 0.5748713766118041
Energy: 0.5708807580432143
Energy: 0.5672130961798015
Energy: 0.5745427184182185
Energy: 0.5701052057178575
Energy: 0.5707450613559268
Energy: 0.5704989621030491
Energy: 0.5656328274637102
Energy: 0.5701385560859467
Energy: 0.5696990695681714
Energy: 0.5661110111924738
Energy: 0.5682705407900406
Energy: 1.0342688119499845
Energy: 0.5767714549952316
Energy: 0.5482195761477522
Energy: 0.7523061798764562
Energy: 0.5890747975037871
Energy: 0.5846762611768718

minimum gb energy = 0.5428414443441928 eV
minimum distance =  2.38608590271767 Angstroms
sigma value = 33


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

Energy: 0.8049908153140608
Energy: 0.7495754467615762
Energy: 0.7494868497694757
Energy: 0.6301633091678035
Energy: 0.672454764042335
Energy: 0.7496777587103993
Energy: 0.6572161503038866
Energy: 0.6148052376015839
Energy: 0.6325578127211346
Energy: 0.6124698424867642
Energy: 0.6295302741946567
Energy: 0.6155780344834301
Energy: 0.6232987170731354
Energy: 0.6128961503634501
Energy: 0.6109587029755799
Energy: 0.626905841831535
Energy: 0.6115583089179024
Energy: 0.6112224002938225
Energy: 0.6220602449280204
Energy: 0.6288373079940689
Energy: 0.611588766372155
Energy: 0.6202597680025066
Energy: 0.6123562859014685
Energy: 0.6111660659221524
Energy: 0.6219472575657558
Energy: 0.6334532684398012
Energy: 0.5969019633226565
Energy: 0.6223586475999117
Energy: 0.6444746791614747
Energy: 0.6115879390163648
Energy: 0.6794577769072836
Energy: 0.5985548078817311
Energy: 0.6213458929860336
Energy: 0.6749702368346053
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Energy: 0.6236035401712638
Energy: 0.6566405127138569
Energy: 0.6011930263699955
Energy: 0.6182308697912355
Energy: 0.6216591607586855
Energy: 0.6469910485022525
Energy: 0.6099487769350727
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Energy: 0.6558351801098228
Energy: 0.6305722142163803
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Energy: 0.6862220635888185
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Energy: 0.6725150851067476
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Energy: 0.6303193512697641
Energy: 0.6280121844356314
Energy: 0.6167024629276985
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Energy: 0.6222525017094451
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Energy: 0.6479956128112834
Energy: 0.6019096185131567
Energy: 0.8672649802852314
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Energy: 0.6306716582616865
Energy: 0.6617032865682196
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Energy: 0.5967733331575915
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Energy: 0.6480644994935745
Energy: 0.6101603526252951
Energy: 0.5977515162471013
Energy: 0.5933464441839441
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Energy: 0.6150088674763621
Energy: 0.5998347141646992
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Energy: 0.6917272476206915
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Energy: 0.6216691109031791
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Energy: 0.6184328905754484
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Energy: 0.6275256215902862
Energy: 0.6147294765232201
Energy: 1.2692105662694422
Energy: 0.6349545684859889
Energy: 0.5934331687476448
Energy: 0.5920269011843526
Energy: 0.5994079044715622
Energy: 0.5939947816818012

minimum gb energy = 0.5915712855432765 eV
minimum distance =  2.39346529513816 Angstroms
sigma value = 67


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

Energy: 0.956868991272867
Energy: 0.6914677421141657
Energy: 0.6918166995851428
Energy: 0.6917758904981312
Energy: 0.6913503447207879
Energy: 0.6898682392277523
Energy: 0.7031658978195057
Energy: 0.6589226809686312
Energy: 0.6585471881574452
Energy: 0.6586184044392553
Energy: 0.6614742169524919
Energy: 0.658183281543914
Energy: 0.6625252304514513
Energy: 0.6218859686980543
Energy: 0.6473501725272148
Energy: 0.6471959536259309
Energy: 0.6214961571706656
Energy: 0.6454771921951356
Energy: 0.6624974485093021
Energy: 0.6447017124695521
Energy: 0.6481789537986423
Energy: 0.6449613566043549
Energy: 0.6449605086015217
Energy: 0.6478938570901438
Energy: 0.6842672226150927
Energy: 0.659698707979381
Energy: 0.6597193073960044
Energy: 0.6849728419407612
Energy: 0.6593275563502043
Energy: 0.6601155679643254
Energy: 0.686045719902219
Energy: 0.6567394510223539
Energy: 0.6625074377945456
Energy: 0.6862024678468807
Energy: 0.6574168676815112
Energy: 0.6627381228322247
Energy: 0.7035686477151768
Energy: 0.6588370236898
Energy: 0.6584808756627185
Energy: 0.6190510541021106
Energy: 0.6612894866601533
Energy: 0.6582491819415328

minimum gb energy = 0.6190510541021106 eV
minimum distance =  2.41911736508057 Angstroms
sigma value = 3


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

Energy: 1.2721162933774766
Energy: 0.8271562758839563
Energy: 0.727574262127161
Energy: 0.7038191714366195
Energy: 0.8048137235262693
Energy: 0.765520306346672
Energy: 0.7927929716127882
Energy: 0.7808828459586368
Energy: 0.7440185431025913
Energy: 0.7596183237592569
Energy: 0.7631123419740801
Energy: 0.7435581736893673
Energy: 0.7962712790825376
Energy: 0.7803637990324352
Energy: 0.7797365131906877
Energy: 0.7489483257225178
Energy: 0.7790151303453791
Energy: 0.7432818550047413
Energy: 0.794001354027548
Energy: 0.7483055597327093
Energy: 0.7474727481021858
Energy: 0.7963522486488736
Energy: 0.7802165319102091
Energy: 0.7486478624690267
Energy: 0.8042868653582724
Energy: 0.810023033032964
Energy: 0.7889134228874689
Energy: 0.8065637610376101
Energy: 0.7827613756351648
Energy: 0.7930607954066501
Energy: 0.7926620928778708
Energy: 0.7921287868576817
Energy: 0.791862697195851
Energy: 0.7942282022049549
Energy: 0.7833178369559421
Energy: 0.792812283343728
Energy: 0.7937454699295852
Energy: 0.8023561169758675
Energy: 0.7901957851327902
Energy: 0.7975476133266292
Energy: 0.7358198887299171
Energy: 0.802461968942698
Energy: 0.9548508051044189
Energy: 0.8406247574548871
Energy: 0.7482318370563114
Energy: 0.7619030771965811
Energy: 0.7912575129963271
Energy: 0.8022771772456767
Energy: 0.7946869500327509
Energy: 0.7874930303593961
Energy: 0.7880392947221043
Energy: 0.7897487820064983
Energy: 0.7953576520381779
Energy: 0.8207862109366751
Energy: 0.7960340854648373
Energy: 0.7426335750421729
Energy: 0.7454697229055278
Energy: 0.8440449718194233
Energy: 0.7415577016932661
Energy: 0.7602260420886804
Energy: 0.8294675465250322
Energy: 0.7310587010841988
Energy: 0.7841785065394846
Energy: 0.8078533623910024
Energy: 0.7420919446754692
Energy: 0.7803338241270372
Energy: 0.8132186690060916
Energy: 0.7940724140592178
Energy: 0.7931378524550555
Energy: 0.7754272950943089
Energy: 0.7983063431225531
Energy: 0.7927930790516575
Energy: 0.7551990866235205
Energy: 0.7896276155701637
Energy: 0.7877982480233613
Energy: 0.7301762755371016
Energy: 0.7887686668072229
Energy: 0.7877508960249828
Energy: 0.824281382302782
Energy: 0.788555672362751
Energy: 0.7890679953535326
Energy: 0.8160649307272881
Energy: 0.7907459550183673
Energy: 0.78946311638623
Energy: 0.8457577327773469
Energy: 0.7923835119472613
Energy: 0.8040702415469033
Energy: 0.7646244977343692
Energy: 0.7918570402089926
Energy: 0.7901637187175069
Energy: 0.8131767334123845
Energy: 0.8179849759369339
Energy: 0.818922283382793
Energy: 0.8319277277585131
Energy: 0.8279234804272935
Energy: 0.822403563794506
Energy: 0.8746278316659386
Energy: 0.7581876442768908
Energy: 0.7589042042751647
Energy: 0.8746524457042644
Energy: 0.7709760880188329
Energy: 0.7402199592698265
Energy: 0.8843205009150507
Energy: 0.8066456369166674
Energy: 0.8393546093152623
Energy: 0.8495905901085563
Energy: 0.7559202119166455
Energy: 0.7958440741909693
Energy: 0.854871576728628
Energy: 0.7873201872353244
Energy: 0.7872243933996517
Energy: 0.7976902107958316
Energy: 0.8477129981668389
Energy: 0.7438286590703398
Energy: 0.8137696939166081
Energy: 0.7846788953349697
Energy: 0.7830461091391986
Energy: 0.7559810352983126
Energy: 0.7832696641928675
Energy: 0.7427148585663221
Energy: 0.7828723607000941
Energy: 0.780082544087209
Energy: 0.7916679921010584
Energy: 0.7858899387854795
Energy: 0.7813329862927797
Energy: 0.7894040598975413
Energy: 0.7843328105363995
Energy: 0.780210731174963
Energy: 0.7871344553795663
Energy: 0.7906534156734355
Energy: 0.7880604509953368
Energy: 0.7855268794484886
Energy: 0.794733992795343
Energy: 0.7947093454842227
Energy: 0.7997432245008391
Energy: 0.7954230726133296
Energy: 0.7971001344437826
Energy: 0.7988349265389976
Energy: 0.7775904095463969
Energy: 0.7614340321568096
Energy: 0.7625626149049516
Energy: 0.7779020282724106
Energy: 0.7617401899636188
Energy: 0.782324682737909
Energy: 0.7913195057367798
Energy: 0.8179419883839226
Energy: 0.8234916968811885
Energy: 0.8128244328382062
Energy: 0.794247429996722
Energy: 0.8225036233299821
Energy: 0.8601818057066604
Energy: 0.8250741077092647
Energy: 0.7219242095054632
Energy: 0.7529070731028022
Energy: 0.8124193465331022
Energy: 0.7326152928523649
Energy: 0.7183739580588995
Energy: 0.8254378061678761
Energy: 0.7483829849599077
Energy: 0.7514306001843977
Energy: 0.8120218678632555
Energy: 0.7494808143104855
Energy: 0.7925442898035407
Energy: 0.8109219266311578
Energy: 0.8222633497928529
Energy: 0.825060405895119
Energy: 0.8277888423474118
Energy: 0.8222676994009219
Energy: 0.7964277327833554
Energy: 0.7807863305772343
Energy: 0.7802890471138333
Energy: 0.7965617188096124
Energy: 0.781528071233387
Energy: 0.797630674034607
Energy: 0.796552144204376
Energy: 0.812344118724581
Energy: 0.8099530434015598
Energy: 0.7976089873842492
Energy: 0.8118593519946904
Energy: 0.802145423360184
Energy: 0.7949440999697547
Energy: 0.7980126270848155
Energy: 0.8063993321251115
Energy: 0.7971889869469488
Energy: 0.8421234232784179
Energy: 0.8086421549301575
Energy: 0.8034990702365634
Energy: 0.7743888696636078
Energy: 0.7792982907322077
Energy: 0.7832497537491289
Energy: 0.7857039829871038
Energy: 0.7797580806843337
Energy: 0.8990372862263722
Energy: 0.792689231365028
Energy: 0.8143705001404746
Energy: 0.7617438204648354
Energy: 0.826358498210022
Energy: 0.7589749347801984
Energy: 0.8307391191857479
Energy: 0.8290070902552676
Energy: 0.8302035337636979
Energy: 0.7625129800283825
Energy: 0.8217026802623428
Energy: 0.7887383180734857
Energy: 0.7938536033952938
Energy: 0.7797291439591874
Energy: 0.7813711313795653
Energy: 0.8171779638695006
Energy: 0.7806111326892826
Energy: 0.7980945321690871
Energy: 0.8203460856239737
Energy: 0.7428121075786605
Energy: 0.7454500159320108
Energy: 0.8211542651530022
Energy: 0.7416085755540899
Energy: 0.7610998670667666
Energy: 0.8105774180863354
Energy: 0.7847265816867298
Energy: 0.7824510599192072
Energy: 0.807574133603441
Energy: 0.7823757919820988
Energy: 0.7804504635300075
Energy: 0.7576545003015047
Energy: 0.7886235820439342
Energy: 0.7883535536092433
Energy: 0.737483703100351
Energy: 0.7886229548409875
Energy: 0.7994379346300545
Energy: 0.8121307144045832
Energy: 0.7908719420487406
Energy: 0.7903056309657628
Energy: 0.7976526609826411
Energy: 0.7951018438225624
Energy: 0.7883337872372835
Energy: 0.7871931623725902
Energy: 0.7885730726043969
Energy: 0.7896700768014433
Energy: 0.7627471458916996
Energy: 0.7887080108638553
Energy: 0.7901319208522203
Energy: 0.8795090644665701
Energy: 0.7930801593619999
Energy: 0.7938400904061085
Energy: 0.8207583065405233
Energy: 0.7920368060338913
Energy: 0.794314776264247
Energy: 0.8748702118429239
Energy: 0.7444850494845467
Energy: 0.7424989518954511
Energy: 0.8492382136561764
Energy: 0.779155902779348
Energy: 0.8248645210360461
Energy: 0.8887032354208501
Energy: 0.761223012531275
Energy: 0.7611416239607733
Energy: 0.8885777448600866
Energy: 0.770570845602413
Energy: 0.7833355887984366
Energy: 0.7977648232490947
Energy: 0.8399900308472323
Energy: 0.7901703904324742
Energy: 0.8054309040743882
Energy: 0.8263378558611685
Energy: 0.8334412233435653
Energy: 1.117249042414874
Energy: 0.7758868277327114
Energy: 0.7996013973231854
Energy: 0.8052056902815513
Energy: 0.7748178387515317
Energy: 0.7995269205045707
Energy: 0.7954278633380332
Energy: 0.7930436350748418
Energy: 0.7932300069439963
Energy: 0.7871847727298898
Energy: 0.731238415432357
Energy: 0.7944194691970643
Energy: 0.7808641364457221
Energy: 0.7872864944339376
Energy: 0.7871726122815633
Energy: 0.7902083046449647
Energy: 0.7824871946933025
Energy: 0.7865126901010874
Energy: 0.7824933693425725
Energy: 0.7117341593785791
Energy: 0.7936977886834858
Energy: 0.7830729183013051
Energy: 0.7832517093087641
Energy: 0.7491564976615007
Energy: 0.7835742620633634
Energy: 0.760538339042149
Energy: 0.7336785451421288
Energy: 0.7855420515923884
Energy: 0.7611248414616884
Energy: 0.7435256708722514
Energy: 0.7965342901372866
Energy: 0.7602156500131544
Energy: 0.7607639222422005
Energy: 0.7467009762532933
Energy: 0.7613788081512558
Energy: 0.7434370744281288
Energy: 0.7882924607838564
Energy: 0.7638069946413077
Energy: 0.7519636615628605
Energy: 0.7482151160812691
Energy: 0.7657386666215923
Energy: 0.748339331273631

minimum gb energy = 0.7038191714366195 eV
minimum distance =  2.36371312999404 Angstroms
sigma value = 81


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

Energy: 1.3165798030181366
Energy: 0.7075477508710228
Energy: 0.6575554416573677
Energy: 0.6585241113506355
Energy: 0.7407926125600568
Energy: 0.7076712301629091
Energy: 0.7117163009522369
Energy: 0.7208733196949105
Energy: 0.7215124143686182
Energy: 0.6976557277522816
Energy: 0.7242153359628424
Energy: 0.7295761062520467
Energy: 0.7727735019395836
Energy: 0.7268217872818515
Energy: 0.7217075641716039
Energy: 0.7014811252390386
Energy: 0.7281202386887451
Energy: 0.723935868535497
Energy: 0.7718449057761453
Energy: 0.721430937954247
Energy: 0.7804026122399612
Energy: 0.7734746418324734
Energy: 0.712981908928088
Energy: 0.710829921988775
Energy: 0.7688636269838808
Energy: 0.7699337741207996
Energy: 0.7608251466221445
Energy: 0.770932879551577
Energy: 0.7749853011361346
Energy: 0.7690234505944804
Energy: 0.7756099639257844
Energy: 0.7725736765092912
Energy: 0.7704718913555693
Energy: 0.7736073141402399
Energy: 0.7719313106560188
Energy: 0.7713103708375006
Energy: 0.7679165557832583
Energy: 0.7795623893905794
Energy: 0.7740255200334791
Energy: 0.7993137841097854
Energy: 0.7791836061348852
Energy: 0.7765194110674283
Energy: 0.857291058719916
Energy: 0.8728591623411657
Energy: 0.7956748136655001
Energy: 0.7238786722430433
Energy: 0.8488014080865174
Energy: 0.7159640423862834
Energy: 0.7680146362086014
Energy: 0.8013887816989658
Energy: 0.8149205852727347
Energy: 0.7937869214744387
Energy: 0.7992564396553702
Energy: 0.764737981655121
Energy: 0.7585543595579318
Energy: 0.6614981518407295
Energy: 0.6615087158268952
Energy: 0.7492559742474137
Energy: 0.6615310063748825
Energy: 0.6637174670322686
Energy: 0.7794062903366602
Energy: 0.6619307265936633
Energy: 0.6666524672280475
Energy: 0.7793237671126567
Energy: 0.676243683910375
Energy: 0.766439608471161
Energy: 0.7149618045912254
Energy: 0.8111352754255114
Energy: 0.8112347408920034
Energy: 0.7147454969451232
Energy: 0.8178941488124629
Energy: 0.8046245729293908
Energy: 0.7137598200961397
Energy: 0.7867019469657441
Energy: 0.7771667829368761
Energy: 0.7140237832074018
Energy: 0.77823529191144
Energy: 0.7257956255549973
Energy: 0.7778486640943647
Energy: 0.7765923301953465
Energy: 0.7735836158949113
Energy: 0.7801860650898368
Energy: 0.7701138589291289
Energy: 0.7746930407829646
Energy: 0.8361764277993678
Energy: 0.7611778179421277
Energy: 0.7784779616335586
Energy: 0.7795380329521131
Energy: 0.7789750436225369
Energy: 0.7781997314364798
Energy: 0.7785898678814036
Energy: 0.7762837322705047
Energy: 0.777448143493969
Energy: 0.7791415455473547
Energy: 0.7754316425507213
Energy: 0.7779966908994447
Energy: 0.8327929332969783
Energy: 0.7155351069284936
Energy: 0.7156441269407694
Energy: 0.8327125990734405
Energy: 0.7239194601967408
Energy: 0.7077154628194152
Energy: 0.7650762924063911
Energy: 0.7780024266625387
Energy: 0.7783062130410675
Energy: 0.8153121726034475
Energy: 0.7945094697342048
Energy: 0.8339785691684092
Energy: 0.825095317367244
Energy: 0.776318179196379
Energy: 0.6647719022561205
Energy: 0.6595295306714751
Energy: 0.7654720212324159
Energy: 0.6649656638934175
Energy: 0.8246682771693031
Energy: 0.777074637625161
Energy: 0.6637125159504066
Energy: 0.6652803463690561
Energy: 0.7658850105823342
Energy: 0.6640135713767188
Energy: 0.7632965605879738
Energy: 0.7750070345969741
Energy: 0.7898893836606262
Energy: 0.8144471270721291
Energy: 0.7631983040906104
Energy: 0.801411566217829
Energy: 0.7799908005484595
Energy: 0.7166752429509754
Energy: 0.718186408013582
Energy: 0.7800787362853655
Energy: 0.7194998158798235
Energy: 0.7182714366509397
Energy: 0.7692141018878317
Energy: 0.7777716092385578
Energy: 0.7739801110285095
Energy: 0.7694503166841452
Energy: 0.7763201816899465
Energy: 0.7750836709987386
Energy: 0.7763736532924268
Energy: 0.775863704828328
Energy: 0.7753627047607733
Energy: 0.7745484252442766
Energy: 0.7761947012103073
Energy: 0.7757235831385021
Energy: 0.7711929109822528
Energy: 0.7823009456882852
Energy: 0.7770472999875209
Energy: 0.7789380093421561
Energy: 0.7855691308996083
Energy: 0.7758863926772033
Energy: 0.8181179595708173
Energy: 0.8050313595475224
Energy: 0.7962927476549928
Energy: 0.761572654898984
Energy: 0.804109219221946
Energy: 0.7955746134472215
Energy: 0.8050362469294167
Energy: 0.8585524135673338
Energy: 0.859387086299719
Energy: 0.761228474531742
Energy: 0.857987468038167
Energy: 0.8593180025871925
Energy: 0.7721591328702293
Energy: 0.6585862665944126
Energy: 0.7676190108940487
Energy: 0.7771561095991764
Energy: 0.6578836934618848
Energy: 0.7666584273459782
Energy: 0.7845556008899376
Energy: 0.6602279206175908
Energy: 0.6604673340594764
Energy: 0.7782529595752038
Energy: 0.6602165301827906
Energy: 0.6604769243202891
Energy: 0.7758923225096344
Energy: 0.8043634214465072
Energy: 0.7860270596115798
Energy: 0.7886911680714218
Energy: 0.7981538644188938
Energy: 0.7665685050708776
Energy: 0.7151801051198734
Energy: 0.7797615227109969
Energy: 0.795900505782733
Energy: 0.7285459778376863
Energy: 0.755027147012092
Energy: 0.7190134463079296
Energy: 0.7779041717089517
Energy: 0.769109700930364
Energy: 0.7667357108211301
Energy: 0.7826501777011545
Energy: 0.7683086730590903
Energy: 0.7684847659576143
Energy: 0.8369837448688184
Energy: 0.7657612169085966
Energy: 0.7645381731836929
Energy: 0.7658557553244664
Energy: 0.7698494797778421
Energy: 0.7662153220476924
Energy: 0.7763191330080477
Energy: 0.7681164498290218
Energy: 0.7694179408446344
Energy: 0.7890588469751361
Energy: 0.7644005049026387
Energy: 0.7693603493981207
Energy: 0.8340903725844817
Energy: 0.7241129089748394
Energy: 0.7883651561509897
Energy: 0.8103325213864154
Energy: 0.7340320183218725
Energy: 0.7358009315779458
Energy: 0.8360670804975876
Energy: 0.7233838015428741
Energy: 0.7162663455398172
Energy: 0.7648842860094089
Energy: 0.7240711380684802
Energy: 0.7180792616330692
Energy: 0.769057644971679
Energy: 0.7210931737130735
Energy: 0.7217627388643234
Energy: 0.6950751897090555
Energy: 0.7226669920315432
Energy: 0.7243192199477659
Energy: 0.8499521908515082
Energy: 0.6970422220926993
Energy: 0.6577249462126957
Energy: 0.6592460922291697
Energy: 0.6990855634307811
Energy: 0.708786670390953

minimum gb energy = 0.6575554416573677 eV
minimum distance =  2.37346502122757 Angstroms
sigma value = 43


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

Energy: 1.3356432691749196
Energy: 0.8290466467002279
Energy: 0.760460080457903
Energy: 0.7059303768123333
Energy: 0.789208278770346
Energy: 0.7060979269627445
Energy: 0.6721139784102157
Energy: 0.7173942088598546
Energy: 0.6983758212748044
Energy: 0.7593600451029398
Energy: 0.6871686006207091
Energy: 0.6783812245136557
Energy: 0.6842245015864429
Energy: 0.6738724982921751
Energy: 0.6730975879526787
Energy: 0.7246087605099586
Energy: 0.6726565982089499
Energy: 0.6803755897222744
Energy: 0.6813264606293917
Energy: 0.6730098835615125
Energy: 0.6796954807816558
Energy: 0.6812754504171994
Energy: 0.7035685273180798
Energy: 0.6806984477747738
Energy: 0.6864400265354339
Energy: 0.6972621466231235
Energy: 0.695575273790971
Energy: 0.6873265385766638
Energy: 0.6998639035043859
Energy: 0.6940948333323615
Energy: 0.6838688639774089
Energy: 0.6990588931465441
Energy: 0.6967895000022146
Energy: 0.6942159058231877
Energy: 0.6942327457535965
Energy: 0.6935994065835648
Energy: 0.6818095944194462
Energy: 0.6806531626841655
Energy: 0.6843681440291456
Energy: 0.6790945928477936
Energy: 0.6806873890153001
Energy: 0.6907801534685301
Energy: 0.760274542435621
Energy: 0.6878803998928747
Energy: 0.686178128041468
Energy: 0.7265464475393064
Energy: 0.6871385664700942
Energy: 0.6794436520816503
Energy: 0.6846733096248547
Energy: 0.6817810714026477
Energy: 0.6813537573183741
Energy: 0.683836906745154
Energy: 0.6815661322566804
Energy: 0.6805200397430355
Energy: 0.8215009038744824
Energy: 0.7011955784628064
Energy: 0.7223425406664058
Energy: 0.7469549389609044
Energy: 0.7395895705747119
Energy: 0.7249706855677236
Energy: 0.7250731382738791
Energy: 0.7318334648212542
Energy: 0.7456103365775589
Energy: 0.6833425451271402
Energy: 0.6978647119260549
Energy: 0.7051492587372968
Energy: 0.703515097142065
Energy: 0.681104990281229
Energy: 0.6803534681703686
Energy: 0.6838534693516083
Energy: 0.6813315073979131
Energy: 0.6803198807627302
Energy: 0.7030566017814088
Energy: 0.6806830291111884
Energy: 0.6887611358110265
Energy: 0.6837625379990176
Energy: 0.7177615889709528
Energy: 0.6891326600027963
Energy: 0.723077498508341
Energy: 0.6929098302621409
Energy: 0.6884617844067863
Energy: 0.6916167896024632
Energy: 0.6822507186408447
Energy: 0.6839647951114259
Energy: 0.725076022686452
Energy: 0.7136515186690948
Energy: 0.7076020350770793
Energy: 0.725047870535606
Energy: 0.6833591804376514
Energy: 0.707871453328908
Energy: 0.7190561715843091
Energy: 0.6996015125808381
Energy: 0.7053340776203274
Energy: 0.7194742854965055
Energy: 0.6984312604819546
Energy: 0.7186729423277348
Energy: 0.6837442500984925
Energy: 0.7314092348374525
Energy: 0.7317167442982746
Energy: 0.6838889980692104
Energy: 0.7169208845847127
Energy: 0.7324008753785758
Energy: 0.7158171634868338
Energy: 0.735223819306464
Energy: 0.7340905748238707
Energy: 0.7340325659060297
Energy: 0.7267921749820504
Energy: 0.734147601618323
Energy: 0.6965611607838521
Energy: 0.7170521405929176
Energy: 0.7183850656021414
Energy: 0.6976537762960826
Energy: 0.7201085720500511
Energy: 0.6833259240385231
Energy: 0.6969881070797509
Energy: 0.7172148537537609
Energy: 0.7184389339215191
Energy: 0.6929755500520463
Energy: 0.7176950758855128
Energy: 0.6968083469621061
Energy: 0.7161454138360323
Energy: 0.7271510201540059
Energy: 0.7195661134535923
Energy: 0.7149766181711934
Energy: 0.7104819592046439
Energy: 0.7346441150228127
Energy: 0.7576797184130604
Energy: 0.7040508261535556
Energy: 0.7040552943463636
Energy: 0.7580589030141043
Energy: 0.6966355559521342
Energy: 0.7455883184681057
Energy: 0.7160339875896302
Energy: 0.7301700875362799
Energy: 0.7356975906758674
Energy: 0.7360915794744806
Energy: 0.7124975008230466
Energy: 0.7319733302559653
Energy: 0.7320267529036812
Energy: 0.7187123522903744
Energy: 0.7294098537116541
Energy: 0.7337847587502122
Energy: 0.6941289330648772
Energy: 0.7288942942695097
Energy: 0.7090628010059655
Energy: 0.7183513268141285
Energy: 0.7192159019821718
Energy: 0.7274256065901439
Energy: 0.7184378279323743
Energy: 0.729230724084342
Energy: 0.7630242040659453
Energy: 0.7202594967742029
Energy: 0.7063054413187566
Energy: 0.6999343581511134
Energy: 0.7191877630672862
Energy: 0.7046147759523863
Energy: 0.7629136889005254
Energy: 0.718537229715991
Energy: 0.7070361731290915
Energy: 0.6836517156099486
Energy: 0.7247027964763685
Energy: 0.7063542839252387
Energy: 0.7107355838152895
Energy: 0.6900944161952163
Energy: 0.6903843652898298
Energy: 0.6812284928286527
Energy: 0.6878662617311728
Energy: 0.6803865780116432
Energy: 0.6843546608686841
Energy: 0.6828351821985281
Energy: 0.6828179169946618
Energy: 0.6842263498739174
Energy: 0.7263861958716775
Energy: 0.6829675201606877
Energy: 0.6803319011122293
Energy: 0.692130544339038
Energy: 0.6903709204637885
Energy: 0.7578364718182193
Energy: 0.6847464244274454
Energy: 0.6809849102375417
Energy: 0.703065725433281
Energy: 0.7640688918358877
Energy: 0.7008787934615601
Energy: 0.7097404273087059
Energy: 0.7990193890311069
Energy: 0.695488667096161

minimum gb energy = 0.6721139784102157 eV
minimum distance =  2.36062887201002 Angstroms
sigma value = 57


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

Energy: 0.9048968367546861
Energy: 0.7122119918580143
Energy: 0.7123128212272497
Energy: 0.7017271086946245
Energy: 0.7726936008054119
Energy: 0.712029040049137
Energy: 0.6918027179587659
Energy: 0.7326530660942134
Energy: 0.6955008943841032
Energy: 0.7425465451706876
Energy: 0.7406113797963674
Energy: 0.7011544394772138
Energy: 0.6805341633313959
Energy: 0.6533130852368945
Energy: 0.6648759335933875
Energy: 0.7140049984108459
Energy: 0.658867632931219
Energy: 0.6680283271072627
Energy: 0.7249737823729514
Energy: 0.6528711864746958
Energy: 0.6647626517153467
Energy: 0.7249767194581034
Energy: 0.6585951055056188
Energy: 0.710714454729768
Energy: 0.7271952826835789
Energy: 0.6773668014270592
Energy: 0.6774933052117377
Energy: 0.7255161857724756
Energy: 0.6798177088889947
Energy: 0.6842844588314612
Energy: 0.6675716809193073
Energy: 0.6789456563648406
Energy: 0.6854333221930979
Energy: 0.688381759440299
Energy: 0.701569570219645
Energy: 0.6798766361010591
Energy: 0.6724909139508304
Energy: 0.727520618444147
Energy: 0.7276325115944012
Energy: 0.7182320483898265
Energy: 0.7272568723510993
Energy: 0.7076173127015447
Energy: 0.732601854050478
Energy: 0.698467767101878
Energy: 0.6814017522261194
Energy: 0.6988926000323401
Energy: 0.7088993277181017
Energy: 0.7142344879038137
Energy: 0.6698913153470724
Energy: 0.7202106404098609
Energy: 0.7189998117512023
Energy: 0.672310465859707
Energy: 0.7318513541656552
Energy: 0.6968355803111341
Energy: 0.7745221718320195
Energy: 0.7130440405348799
Energy: 0.7173403493908478
Energy: 0.7741756197462175
Energy: 0.7134084466875813
Energy: 0.7175149386402466
Energy: 0.6752627809340245
Energy: 0.6990354708686024
Energy: 0.6950501968968099
Energy: 0.6727481420409503
Energy: 0.717735226254496
Energy: 0.7156676671907325
Energy: 0.6948416174007785
Energy: 0.7319913908622661
Energy: 0.7169411876471844
Energy: 0.6920504791896559
Energy: 0.6709970776904155
Energy: 0.6887404254929077
Energy: 0.6528117980884335
Energy: 0.7146933205201932
Energy: 0.6880262468636653
Energy: 0.66254559069349
Energy: 0.7286910900916328
Energy: 0.6888815344610268
Energy: 0.672210370482056
Energy: 0.708686323514563
Energy: 0.7000243877199877
Energy: 0.7407345486583936
Energy: 0.7422483521344309
Energy: 0.6964143919031853
Energy: 0.677040406483843
Energy: 0.6539301869134148
Energy: 0.6920334004864324
Energy: 0.6695678260162811
Energy: 0.6606150990588511
Energy: 0.7028623112968585
Energy: 0.7272447927587304
Energy: 0.7051193213213848
Energy: 0.7051457718686959
Energy: 0.727487942727978
Energy: 0.695028203089603
Energy: 0.7069240282173669
Energy: 0.7317524479397111
Energy: 0.6780350501202091
Energy: 0.6748780150427136
Energy: 0.6955003966895394
Energy: 0.6825459141505956
Energy: 0.6738005110656995
Energy: 0.731455015499483
Energy: 0.6857284934491149
Energy: 0.6848648166486824
Energy: 0.6982293913369636
Energy: 0.674625540176857
Energy: 0.6783687700294222
Energy: 0.7482751829574046
Energy: 0.7252085089616317
Energy: 0.7157246942658637
Energy: 0.6951819657264706
Energy: 0.7247920277350971
Energy: 0.7040988547719175
Energy: 0.7487827917033213
Energy: 0.7149431071154245
Energy: 0.716886306563148
Energy: 0.6955269399776505
Energy: 0.7152137669472629
Energy: 0.705302727546291
Energy: 0.6706295431445385
Energy: 0.7253219208615233
Energy: 0.6980453333821562
Energy: 0.6697124408569926
Energy: 0.7344145456491618
Energy: 0.6929217364455826
Energy: 0.8324020095983916
Energy: 0.7087260293571442
Energy: 0.6848879857087556
Energy: 0.8323826044075497
Energy: 0.7114886803859601
Energy: 0.6989986322572297
Energy: 0.6723237218563568
Energy: 0.7339442087696785
Energy: 0.7210920422911629
Energy: 0.6695241414413919
Energy: 0.7424068403666779
Energy: 0.6994211114502639
Energy: 0.6526243667426506
Energy: 0.7146120992091541
Energy: 0.6884765796167054
Energy: 0.6614311265496552
Energy: 0.7254379508233957
Energy: 0.6886722267279829

minimum gb energy = 0.6526243667426506 eV
minimum distance =  2.36469118156575 Angstroms
sigma value = 17


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

Energy: 0.6637063612121721
Energy: 0.7840617082530232
Energy: 0.8493569172387777
Energy: 0.6938101036161588
Energy: 0.7130036326217853
Energy: 0.7161843904797938
Energy: 0.6943143229733868
Energy: 0.7585581706335169
Energy: 0.6763935569835162
Energy: 0.7717348157564858
Energy: 0.7593939729604072
Energy: 0.6884641853396815
Energy: 0.7179818541811938
Energy: 0.6431501688103712
Energy: 0.6436067015123771
Energy: 0.7485614987549675
Energy: 0.6438426441896373
Energy: 0.6696356185284748
Energy: 0.7483302380297852
Energy: 0.658346314090096
Energy: 0.6710398461065085
Energy: 0.7483371802050409
Energy: 0.6705375652656109
Energy: 0.7476202717937992
Energy: 0.6849099636032434
Energy: 0.6478494253686613
Energy: 0.6326925972816908
Energy: 0.6859249070429452
Energy: 0.6479036983844718
Energy: 0.6311287763914937
Energy: 0.6742159891402845
Energy: 0.647562051683608
Energy: 0.6367486954944658
Energy: 0.6246841652961023
Energy: 0.6792985181825913
Energy: 0.6246719753112604
Energy: 0.6848387541245655
Energy: 0.6755657438974322
Energy: 0.6762756164627919
Energy: 0.6628385039236437
Energy: 0.679620908178843
Energy: 0.6462251664752795
Energy: 0.6476996452298717
Energy: 0.6155933885856542
Energy: 0.6157520807485876
Energy: 0.6130757815956503
Energy: 0.612838005204496
Energy: 0.6110806057076653
Energy: 0.6777980916456869
Energy: 0.614493213600739
Energy: 0.6164411548838242
Energy: 0.6792709064095173
Energy: 0.612766629303302
Energy: 0.6473525298827729
Energy: 0.6800474640776277
Energy: 0.6364942762343397
Energy: 0.6365190406060921
Energy: 0.6796547864275857
Energy: 0.6359269113887248
Energy: 0.6502583013972837
Energy: 0.6236496244537941
Energy: 0.6232271833639135
Energy: 0.6312120613434372
Energy: 0.6623995963690749
Energy: 0.7711964834459416
Energy: 0.6457348894612958
Energy: 0.6848083362176143
Energy: 0.769939937770091
Energy: 0.7695822277899691
Energy: 0.7414337822442731
Energy: 0.7703890227766315
Energy: 0.7508117489173849
Energy: 0.7804984600055171
Energy: 0.7301405265535625
Energy: 0.7303028326245837
Energy: 0.6351273973831859
Energy: 0.7398973750351404
Energy: 0.7301856255714746
Energy: 0.7691976830519447
Energy: 0.7598401992672387
Energy: 0.7469890557501145
Energy: 0.7721331465454512
Energy: 0.7732049556885818
Energy: 0.6660690710888623
Energy: 0.7131789040136907
Energy: 0.7503591284467814
Energy: 0.7503393227160718
Energy: 0.7413746235501006
Energy: 0.7401299311572324
Energy: 0.7650424639576396
Energy: 0.8225085112894528
Energy: 0.7622465921497217
Energy: 0.6800661727763557
Energy: 0.7707770893469642
Energy: 0.7617689576199725
Energy: 0.7467583194628413
Energy: 0.7640449583977879
Energy: 0.7405753963855317
Energy: 0.7850058819694512
Energy: 0.6835355525725962
Energy: 0.739944739320963
Energy: 0.7844327886968154

minimum gb energy = 0.6110806057076653 eV
minimum distance =  2.34640013736925 Angstroms
sigma value = 17


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

Energy: 1.2494921316775986
Energy: 0.8102691655280505
Energy: 0.6698866104888237
Energy: 0.6680339852275622
Energy: 0.9221621661162978
Energy: 0.665923399513275
Energy: 0.6837130699116108
Energy: 0.7337910486695509
Energy: 0.5919140197777488
Energy: 0.7528734922642586
Energy: 0.72516223567215
Energy: 0.6733120818489615
Energy: 0.9021640119225636
Energy: 0.5767435166571918
Energy: 0.6076040936015005
Energy: 0.7592488905723347
Energy: 0.5761821024756499
Energy: 0.6174350291363817
Energy: 0.7556434458789049
Energy: 0.6566002445508249
Energy: 0.6489477991591823
Energy: 0.756901496793512
Energy: 0.5703573415975963
Energy: 0.657117190815696
Energy: 0.6638398253012359
Energy: 0.6021812390987049
Energy: 0.5915200339989403
Energy: 0.664473927310936
Energy: 0.6352740360776414
Energy: 0.5954639012474842
Energy: 0.6569666168132823
Energy: 0.6176836365340713
Energy: 0.5693726284957603
Energy: 0.5711461548775256
Energy: 0.6536278549301685
Energy: 0.5698153934994642
Energy: 0.612846267051209
Energy: 0.6539077878028509
Energy: 0.6530630638313056
Energy: 0.5631281248816272
Energy: 0.6572464482780713
Energy: 0.5676350878350883
Energy: 0.6371345914835242
Energy: 0.5568338147709175
Energy: 0.5623659259583768
Energy: 0.5669791371708355
Energy: 0.5577418883488763
Energy: 0.5620221160381131
Energy: 0.6137300521488869
Energy: 0.5662151414973792
Energy: 0.5684958208350092
Energy: 0.6149348960956865
Energy: 0.594736508416932
Energy: 0.6133733672010623
Energy: 0.6131808682483254
Energy: 0.5660742263436829
Energy: 0.5663633822188427
Energy: 0.6132534327840166
Energy: 0.5653841616429104
Energy: 0.5662983911195318
Energy: 0.6291849920170043
Energy: 0.5605450048970952
Energy: 0.5639361803107915
Energy: 0.5637110254891842
Energy: 0.6133450304027688
Energy: 0.564469387401791
Energy: 0.6162966948962479
Energy: 0.6139930895866015
Energy: 0.6134924778665812
Energy: 0.6177302463358278
Energy: 0.617721862834761
Energy: 0.5989150214997997
Energy: 0.6314695132342245
Energy: 0.5615169231181069
Energy: 0.5617055404146728
Energy: 0.5637747906915535
Energy: 0.5797307940820856
Energy: 0.5619983579055108
Energy: 0.6546273459341828
Energy: 0.5700603641953345
Energy: 0.5676373154741108
Energy: 0.6557462830821401
Energy: 0.5715806835769643
Energy: 0.6533033278582283
Energy: 0.6537150538424725
Energy: 0.5861769470221375
Energy: 0.5742756538394723
Energy: 0.6535700775274652
Energy: 0.5661542430881279
Energy: 0.59955671331203
Energy: 0.7585867769403517
Energy: 0.633654562314095
Energy: 0.5995772440737791
Energy: 0.6342666776372392
Energy: 0.6497398595114547
Energy: 0.5974574172232042
Energy: 0.6138705967900444
Energy: 0.7538347915593896
Energy: 0.7535763530232723
Energy: 0.6025740640462971
Energy: 0.75856937539232
Energy: 0.6176832271972271
Energy: 0.6147555666132758
Energy: 0.7251107089980313
Energy: 0.7249530752842849
Energy: 0.64947162685967
Energy: 0.7254697432178946
Energy: 0.6023888624778033
Energy: 0.8372538570705823
Energy: 0.7269174379850734
Energy: 0.6646048353929657
Energy: 0.7537013750472914
Energy: 0.6483942473348422
Energy: 0.599943602231538
Energy: 0.8369316262181538
Energy: 0.6314543320364353
Energy: 0.6311445411338352
Energy: 0.7301519622022573
Energy: 0.606405911795642
Energy: 0.6983918640784023
Energy: 0.8924449578105841
Energy: 0.6856110431148865
Energy: 0.7056749194933756
Energy: 0.7555620637936336
Energy: 0.732951095433039
Energy: 0.7247349181570777
Energy: 0.6227691601380804
Energy: 0.7369891322121619
Energy: 0.8205596378512982
Energy: 0.6356788945454024
Energy: 0.7304716286898051
Energy: 0.6283062941907029
Energy: 0.6248950455795648
Energy: 0.7242527191579972
Energy: 0.7178085834024639
Energy: 0.612524154007608
Energy: 0.7266838078069467
Energy: 0.7790003524988971
Energy: 0.902770490002819
Energy: 0.6399039521049746
Energy: 0.5838399957822659
Energy: 0.7543462849255045
Energy: 0.5710961373858131
Energy: 0.6743186071024415
Energy: 0.7538000089344087
Energy: 0.5764117351232448
Energy: 0.6072482922106324
Energy: 0.7538994263510562
Energy: 0.5767760926954525
Energy: 0.6256907383289683
Energy: 0.664991907574219
Energy: 0.6021402896995153
Energy: 0.5958600755873743
Energy: 0.6664767341993272
Energy: 0.6344389208968622
Energy: 0.6339689916276459
Energy: 0.6028850351050441
Energy: 0.6021704837673229
Energy: 0.6165982003786846
Energy: 0.5714346064353272
Energy: 0.6055607563107019
Energy: 0.570204065010113
Energy: 0.6103053866544101
Energy: 0.6539366522461115
Energy: 0.6538001207114119
Energy: 0.6039666581020013
Energy: 0.655562934474466
Energy: 0.6536754427000462
Energy: 0.6257330796548372
Energy: 0.5648200191509863
Energy: 0.564440865096401
Energy: 0.5675355348095658
Energy: 0.6542422134053956
Energy: 0.5679266605541128
Energy: 0.6131818101714598
Energy: 0.5573216506724222
Energy: 0.5625886749918759
Energy: 0.6130590255030514
Energy: 0.5577809546626286
Energy: 0.5617846887197916
Energy: 0.6181574773078256
Energy: 0.5605802946178182
Energy: 0.5606147619537777
Energy: 0.6190640307554559
Energy: 0.560139307845564
Energy: 0.5623886836910245
Energy: 0.6256372818015327
Energy: 0.5611097370743958
Energy: 0.5614083171413552
Energy: 0.5822859968160351
Energy: 0.560068794907635
Energy: 0.5618062178861101
Energy: 0.6230737512497153
Energy: 0.6138116655065743
Energy: 0.6137069537304258
Energy: 0.6234723148176862
Energy: 0.6142687189125506
Energy: 0.6135281081302745
Energy: 0.6320101364664882
Energy: 0.5743638505970673
Energy: 0.5697269241795593
Energy: 0.5655984985154753
Energy: 0.5629348828889578
Energy: 0.5660460063749084
Energy: 0.6611867418475469
Energy: 0.5651553918305118
Energy: 0.5652964652065126
Energy: 0.6541611863919041
Energy: 0.5647806259975788
Energy: 0.5655316053509039
Energy: 0.6614415461124242
Energy: 0.56725244424467
Energy: 0.5895995903516452
Energy: 0.6543601765587408
Energy: 0.5680439056137343
Energy: 0.6352343159977494
Energy: 0.8418910264478053
Energy: 0.5838047984991515
Energy: 0.5840863224411912
Energy: 0.6346118706882673
Energy: 0.6487593575579457
Energy: 0.590646761444603
Energy: 0.6200004016258744
Energy: 0.7530413545557382
Energy: 0.7531427976657479
Energy: 0.6187871647155794
Energy: 0.7549153633717569
Energy: 0.6341812570563562
Energy: 0.6406721880913876
Energy: 0.7066201449226925
Energy: 0.6309452315350031
Energy: 0.5917602196912305
Energy: 0.698815493096148
Energy: 0.6156581257686632
Energy: 0.6535696155453936
Energy: 0.684529848968077
Energy: 0.6832611634823196
Energy: 0.6653155370680758
Energy: 0.756657550884864
Energy: 0.6701667147273228
Energy: 0.8418439735738577
Energy: 0.605797396277064
Energy: 0.6949074436359448
Energy: 0.7537812504580921
Energy: 0.6053219831845524
Energy: 0.7025116599379405
Energy: 0.9023801991524592
Energy: 0.6636348021073125
Energy: 0.5917978471424192
Energy: 0.7549254063015723
Energy: 0.642188432138638
Energy: 0.6748562748110473
Energy: 0.6265564652037173
Energy: 0.7173189179358178
Energy: 0.6942290193295599
Energy: 0.6134972553597595
Energy: 0.7264524262563431
Energy: 0.6818365620165238

minimum gb energy = 0.5568338147709175 eV
minimum distance =  2.36842206451126 Angstroms
sigma value = 57


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

Energy: 0.5689811165295643
Energy: 0.767967178995464
Energy: 0.6231672153256854
Energy: 0.5417719090290788
Energy: 0.921643884185281
Energy: 0.625432285444946
Energy: 0.7489614436160559
Energy: 0.5715167510672746
Energy: 0.5618510241634631
Energy: 0.6905783393799031
Energy: 0.7305818592363947
Energy: 0.639881701932502
Energy: 0.8486900910851042
Energy: 0.5370994360505574
Energy: 0.5369980279285825
Energy: 0.7306733190275444
Energy: 0.5368533650736912
Energy: 0.5699459607299106
Energy: 0.7256516341823075
Energy: 0.5363608158122991
Energy: 0.5696818298370401
Energy: 0.7266015865583475
Energy: 0.5449498833512898
Energy: 0.6268741554415099
Energy: 0.6257686177754741
Energy: 0.569816913392781
Energy: 0.5614354945796356
Energy: 0.6264543114733622
Energy: 0.5819525029949597
Energy: 0.5633480578308461
Energy: 0.5681506464859222
Energy: 0.5713759070284998
Energy: 0.5348354350016965
Energy: 0.521558086849306
Energy: 0.6322411907123384
Energy: 0.5354305379466501
Energy: 0.5834275210137971
Energy: 0.6386247813320595
Energy: 0.6323064928677717
Energy: 0.5291908323668811
Energy: 0.6378791843397014
Energy: 0.526750618671843
Energy: 0.7670867617479052
Energy: 0.5167699353129543
Energy: 0.5163056551993976
Energy: 0.5283988939144205
Energy: 0.5167014261862206
Energy: 0.5247462936452828
Energy: 0.5860258701314391
Energy: 0.5644255344984597
Energy: 0.5313284012797609
Energy: 0.5874619098922799
Energy: 0.5896614350680838
Energy: 0.5834219758546982
Energy: 0.5832065541541374
Energy: 0.515364459008439
Energy: 0.5152435200592227
Energy: 0.5833887630547504
Energy: 0.5153358888456305
Energy: 0.5153814687401271
Energy: 0.5670770486138232
Energy: 0.5616721390074476
Energy: 0.5114959311147829
Energy: 0.5118832189060407
Energy: 0.5619997527994731
Energy: 0.5119709489954372
Energy: 0.5874351118226049
Energy: 0.5689854839927387
Energy: 0.561588101946293
Energy: 0.5481109812953626
Energy: 0.5665083581986168
Energy: 0.5192230465983918
Energy: 0.5611443877628733
Energy: 0.5629585502231711
Energy: 0.5117964705952389
Energy: 0.518306352232725
Energy: 0.528716514639079
Energy: 0.5228466614751046
Energy: 0.5622059275091168
Energy: 0.516543475114543
Energy: 0.5637627487253042
Energy: 0.5637537567326075
Energy: 0.5557431143792575
Energy: 0.5618846925456134
Energy: 0.561585636933722
Energy: 0.5131256700596124
Energy: 0.5124072411199072
Energy: 0.5615207992081452
Energy: 0.5121433101837461
Energy: 0.5113920083825637
Energy: 0.5977376098627913
Energy: 0.5834270929234225
Energy: 0.5204448894094053
Energy: 0.5225035014850917
Energy: 0.5935885522756444
Energy: 0.5201031802391394
Energy: 0.563546673748377
Energy: 0.593546020426747
Energy: 0.5834664662806495
Energy: 0.5150342141910436
Energy: 0.5896688581511901
Energy: 0.5249789925696823
Energy: 0.5647966720527928
Energy: 0.52602189940831
Energy: 0.5264858006692261
Energy: 0.5655954402137221
Energy: 0.5255973303166882
Energy: 0.5247138888970656
Energy: 0.63250348902636
Energy: 0.5300580531042021
Energy: 0.581103488172195
Energy: 0.6343987241582286
Energy: 0.5379895324122037
Energy: 0.6321779337267353
Energy: 0.7170746664179422
Energy: 0.5454755163382363
Energy: 0.5466162455277547
Energy: 0.5611897242323198
Energy: 0.5425797188123237
Energy: 0.5582327991050922
Energy: 0.798949298177926
Energy: 0.6048407528907616
Energy: 0.5669116197513132
Energy: 0.6077611559444183
Energy: 0.6089565590661178
Energy: 0.5586344297180482
Energy: 0.5620452432903258
Energy: 0.7243982697823258
Energy: 0.6034987278532962
Energy: 0.5293680982164387
Energy: 0.7328017131451987
Energy: 0.5517749072226482
Energy: 0.5872652917050176
Energy: 0.6579596975407771
Energy: 0.6450878404871402
Energy: 0.5631064265563755
Energy: 0.6912053114109605
Energy: 0.6250106323916709
Energy: 0.7922891448894978
Energy: 0.6083920080865611
Energy: 0.5523874083634807
Energy: 0.6098367007976351
Energy: 0.6186374940133522
Energy: 0.5602187278532818
Energy: 0.8538042601218621
Energy: 0.5638907531654864
Energy: 0.5746817193155501
Energy: 0.6922258036474622
Energy: 0.5563893707516199
Energy: 0.6516575191003168
Energy: 0.8427962840465503
Energy: 0.6514530814734298
Energy: 0.6300935237249814
Energy: 0.6871965533884854
Energy: 0.6492885937821443
Energy: 0.5832345117160378
Energy: 0.566962581475072
Energy: 0.6622989072935013
Energy: 0.6363147354499675
Energy: 0.5419730555256858
Energy: 0.6923819481587086
Energy: 0.5768087796895692

minimum gb energy = 0.5113920083825637 eV
minimum distance =  2.37485172225971 Angstroms
sigma value = 43


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

Energy: 0.4853878578967114
Energy: 0.6174624492264708
Energy: 0.5608932549070328
Energy: 0.4634294204437986
Energy: 0.6614014470832119
Energy: 0.5283101655290012
Energy: 0.6956527007680396
Energy: 0.4579737380290427
Energy: 0.46857446666615044
Energy: 0.5323269178396227
Energy: 0.4704823618069897
Energy: 0.4592608041387899
Energy: 0.726444238067058
Energy: 0.44797062721949454
Energy: 0.46034784303491905
Energy: 0.5875453540207219
Energy: 0.44735185677123596
Energy: 0.4603376850137046
Energy: 0.6309986784871747
Energy: 0.45984360362730375
Energy: 0.46018943406649915
Energy: 0.527200420431153
Energy: 0.4480054706173196
Energy: 0.4860780820875023
Energy: 0.561431986388617
Energy: 0.4581692751188824
Energy: 0.45539187069846143
Energy: 0.540230141010317
Energy: 0.46456493090851764
Energy: 0.458111357466661
Energy: 0.4698178119306631
Energy: 0.4590240604631062
Energy: 0.44715853912194903
Energy: 0.4328639584844078
Energy: 0.5595854038787489
Energy: 0.4551514400580057
Energy: 0.6714711330915173
Energy: 0.559875662721414
Energy: 0.5597578566868674
Energy: 0.4364870595470445
Energy: 0.5600324054777651
Energy: 0.4382152603086804
Energy: 0.6630923767276737
Energy: 0.4280023423646906
Energy: 0.431017906801642
Energy: 0.4346702989075099
Energy: 0.42919319489272056
Energy: 0.43061480619452436
Energy: 0.518799300013379
Energy: 0.43241238343599586
Energy: 0.43632097189762037
Energy: 0.5204252816967734
Energy: 0.47984082417720025
Energy: 0.5166717066068534
Energy: 0.5027038030062008
Energy: 0.42416220026548246
Energy: 0.42417297198304954
Energy: 0.517285366622413
Energy: 0.42455207544253326
Energy: 0.42484930982014685
Energy: 0.4655952326188883
Energy: 0.49006331290223243
Energy: 0.42328239463454487
Energy: 0.4213054898210218
Energy: 0.4902571515299968
Energy: 0.4210016158450554
Energy: 0.521354828179132
Energy: 0.4904228908061368
Energy: 0.4901312143853615
Energy: 0.42569856903604153
Energy: 0.4906320684150792
Energy: 0.4241654534284403
Energy: 0.6378006238039282
Energy: 0.4785603361825941
Energy: 0.48599827172510024
Energy: 0.48359254578232863
Energy: 0.45337367836307396
Energy: 0.4848809171316405
Energy: 0.4745549101131216
Energy: 0.3457378155425062
Energy: 0.47463628393186474
Energy: 0.4760586092272128
Energy: 0.46738087471928635
Energy: 0.47462784934107155
Energy: 0.47450697738044356
Energy: 0.4172116940222317
Energy: 0.4204505278921416
Energy: 0.47452339234536717
Energy: 0.4173389148173067
Energy: 0.42073395714760564
Energy: 0.46869656230329576
Energy: 0.4674650439268924
Energy: 0.4158825466916116
Energy: 0.41655819508805425
Energy: 0.4674739102357318
Energy: 0.41522965676267726
Energy: 0.4779049649212749
Energy: 0.4675898322274671
Energy: 0.46759179952566815
Energy: 0.41949558359724565
Energy: 0.4677123304936396
Energy: 0.41777814126532004
Energy: 0.4674204862683193
Energy: 0.4171704924820545
Energy: 0.41805281623253476
Energy: 0.46758689387309976
Energy: 0.4746517326156404
Energy: 0.41798348735451946
Energy: 0.46788758416897896
Energy: 0.45047750418659355
Energy: 0.4671053522929985
Energy: 0.468374169861229
Energy: 0.5560951769362404
Energy: 0.46760995025700236
Energy: 0.4675913496484451
Energy: 0.42199727149775973
Energy: 0.42414147686973536
Energy: 0.467573473438679
Energy: 0.47647395235814777
Energy: 0.4246093500128821
Energy: 0.4933680551803764
Energy: 0.47484881088996705
Energy: 0.47491258297653677
Energy: 0.42173029052582817
Energy: 0.4749907177856059
Energy: 0.42513138394173056
Energy: 0.4689693270759262
Energy: 0.47470226915056
Energy: 0.45757348130677467
Energy: 0.4192638964727088
Energy: 0.47493424998291167
Energy: 0.4170217748557791
Energy: 0.49004337796113817
Energy: 0.41790275424839624
Energy: 0.41730003529044557
Energy: 0.4901921630084153
Energy: 0.41836809762420396
Energy: 0.417482076152701
Energy: 0.49046184880741744
Energy: 0.42900885569941444
Energy: 0.4900561791139301
Energy: 0.49197139940644
Energy: 0.45127107831530106
Energy: 0.49003778941496434
Energy: 0.6479059811136695
Energy: 0.45691549977993995
Energy: 0.4606659449409536
Energy: 0.499158732915244
Energy: 0.4564746735590979
Energy: 0.4604569676618755
Energy: 0.5965630780611292
Energy: 0.5169833546279524
Energy: 0.5168643797376491
Energy: 0.4248252691224711
Energy: 0.5170518629405638
Energy: 0.4235156563280519
Energy: 0.4681459349516512
Energy: 0.5169938231325322
Energy: 0.4367253891244709
Energy: 0.42853019831290634
Energy: 0.5168431871759118
Energy: 0.4297464852197326
Energy: 0.5171015854209712
Energy: 0.4361536392252184
Energy: 0.4369367295200089
Energy: 0.534038190385491
Energy: 0.4388017344861657
Energy: 0.4372828000271538
Energy: 0.5623104350535878
Energy: 0.44452482453275083
Energy: 0.4646885150973657
Energy: 0.5637809000590934
Energy: 0.462556743980059
Energy: 0.5206338484317845
Energy: 0.6848112676025536
Energy: 0.4381854246385097
Energy: 0.4436489889964053
Energy: 0.5186654886997891
Energy: 0.4384439728917121
Energy: 0.44443983695993244
Energy: 0.6837969238704823
Energy: 0.5210318397021677
Energy: 0.5212252641903651
Energy: 0.5210284652839626
Energy: 0.5209698567889375
Energy: 0.4644304575202114
Energy: 0.4765360286590119
Energy: 0.5376885795670395
Energy: 0.4726825190945567
Energy: 0.44557352966663316
Energy: 0.6312719469736724
Energy: 0.4729574530010771
Energy: 0.6280060392429693
Energy: 0.5045237421251757
Energy: 0.5018144394660438
Energy: 0.5279871543261698
Energy: 0.525311947608124
Energy: 0.5114293138062598
Energy: 0.684438944400617
Energy: 0.480415649859066
Energy: 0.4811575889788429
Energy: 0.5270209677145627
Energy: 0.4680607394633002
Energy: 0.5323482453534353
Energy: 0.7267671167871884
Energy: 0.46474471658838884
Energy: 0.4804837507353389
Energy: 0.5877080025933497
Energy: 0.46382186902267214
Energy: 0.5304730437074641
Energy: 0.695652738380114
Energy: 0.5258766079113794
Energy: 0.5019294166842905
Energy: 0.5724177230433443
Energy: 0.5332364860770631
Energy: 0.5202702511890087

minimum gb energy = 0.3457378155425062 eV
minimum distance =  2.38484116243609 Angstroms
sigma value = 81


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

Energy: 0.011597902406182185
Energy: 0.04784870810448921
Energy: 0.012318784594879693
Energy: 0.01385097370423713
Energy: 0.012525411410090604
Energy: 0.012305733254350705
Energy: 0.04810431429000453
Energy: 0.012587921746161761
Energy: 0.012890653202042685
Energy: 0.048075560151903216
Energy: 0.01629953648941055
Energy: 0.012388011888465106
Energy: 0.04662901247003585
Energy: 0.01237305430570359
Energy: 0.01202987027870681
Energy: 0.046552096259410404
Energy: 0.012209282340707301
Energy: 0.047285743205818694
Energy: 0.013973282907926314
Energy: 0.012432636356775667
Energy: 0.012277412228524062
Energy: 0.013031547662344014
Energy: 0.012157761293467441
Energy: 0.047746270629730296
Energy: 0.0472038426269122
Energy: 0.0466411106431995
Energy: 0.04709001415288471
Energy: 0.048179099382536866
Energy: 0.04654256579867831
Energy: 0.047200350477665645
Energy: 0.012871218516048537
Energy: 0.012647938335069473
Energy: 0.01215228071786977
Energy: 0.014267260897345943
Energy: 0.012568746747179381
Energy: 0.012291775823119595
Energy: 0.046763686703139684
Energy: 0.012606757008489223
Energy: 0.012439405880332896
Energy: 0.04666777688787575
Energy: 0.012429396263545334
Energy: 0.01251604854772745
Energy: 0.04654088883761757
Energy: 0.01211416377762906
Energy: 0.012323956510794263
Energy: 0.04678230509940795
Energy: 0.012229372681002654
Energy: 0.049080690670029306
Energy: 0.013487034311789412
Energy: 0.012331678052487473
Energy: 0.0475907629000632
Energy: 0.014659387186118485
Energy: 0.012539879626359362
Energy: 0.04907597986839951
Energy: 0.012745939891204204
Energy: 0.04654359830055
Energy: 0.046515432537686426
Energy: 0.011925958286599364
Energy: 0.0464389825771557
Energy: 0.04640018995170439

minimum gb energy = 0.011597902406182185 eV
minimum distance =  2.51536681239289 Angstroms
sigma value = 3


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

Energy: 0.5350755559178618
Energy: 0.5520934769303619
Energy: 0.5280885409730668
Energy: 0.5005897619945984
Energy: 0.5235042761500225
Energy: 0.5050710860239375
Energy: 0.5487369428369736
Energy: 0.531601434448302
Energy: 0.5332241253690748
Energy: 0.5316121325224518
Energy: 0.5336566909693619
Energy: 0.5348398360843895
Energy: 0.5527657430562992
Energy: 0.5115280586695131
Energy: 0.511468706202124
Energy: 0.5308747368765727
Energy: 0.5124689819690564
Energy: 0.5193791059713787
Energy: 0.5209757871137357
Energy: 0.5125071046339686
Energy: 0.511897828426242
Energy: 0.5208984210099177
Energy: 0.46460275555275843
Energy: 0.5225941694013235
Energy: 0.4756335274121926
Energy: 0.5360659050094575
Energy: 0.5359656539157974
Energy: 0.475800468243445
Energy: 0.5334862444702306
Energy: 0.535347233221235
Energy: 0.5105160355272986
Energy: 0.5330364628262236
Energy: 0.5245833393499754
Energy: 0.4397671991648729
Energy: 0.5329637048636353
Energy: 0.5010789494247411
Energy: 0.5400977849189547
Energy: 0.4883012858329079
Energy: 0.5389328810935582
Energy: 0.5187627046667154
Energy: 0.49360872159107877
Energy: 0.568824621496405
Energy: 0.5201192602621578
Energy: 0.5124749567337771
Energy: 0.5134230376845732
Energy: 0.5202634336178195
Energy: 0.48977473487012296
Energy: 0.49216941256870617
Energy: 0.5374203807280682
Energy: 0.5141729809748761
Energy: 0.5307410137536547
Energy: 0.539306142155383
Energy: 0.44822180039609844
Energy: 0.5318737709023376
Energy: 0.4947443549580831
Energy: 0.48704033122763696
Energy: 0.4863065426557911
Energy: 0.49459571309738753
Energy: 0.4911885706721822
Energy: 0.5019754025810569
Energy: 0.5159828803844391
Energy: 0.5216541275060386
Energy: 0.5237300578774389
Energy: 0.4303780781731118
Energy: 0.5254041787607919
Energy: 0.5004726235657047
Energy: 0.4564296420212158
Energy: 0.5276545918417715
Energy: 0.5291172971358803
Energy: 0.45622328333078305
Energy: 0.5280197999459412
Energy: 0.45570270644391414
Energy: 0.45765275819110207
Energy: 0.49114299182566085
Energy: 0.5083082630785135
Energy: 0.4579137671606494
Energy: 0.4217248884669441
Energy: 0.45920876840564073
Energy: 0.5198889713792227
Energy: 0.46868997631056386
Energy: 0.5077469652850165
Energy: 0.4609605871189304
Energy: 0.43639401122549726
Energy: 0.5105320909110718
Energy: 0.5153319296472683
Energy: 0.43596478445480774
Energy: 0.43556261801205276
Energy: 0.5127008265516068
Energy: 0.4400113773974417
Energy: 0.43489790051294863
Energy: 0.5122327194335959
Energy: 0.499116059932197
Energy: 0.4990584360437808
Energy: 0.4970355020271932
Energy: 0.5096315958603038
Energy: 0.49915035847899897
Energy: 0.42468279497606576
Energy: 0.4992233045318914
Energy: 0.4982692737359989
Energy: 0.4246386221124392
Energy: 0.4735974399716402
Energy: 0.4242113475946724
Energy: 0.4243036808039041
Energy: 0.49373223231070706
Energy: 0.49465329709643185
Energy: 0.4245261547234987
Energy: 0.42846255883140144
Energy: 0.49490359930574873
Energy: 0.5053875551398688
Energy: 0.45806693717384156
Energy: 0.49254227746079193
Energy: 0.42783341587699064
Energy: 0.4552393429152107
Energy: 0.4934806231482927
Energy: 0.5102433064373999
Energy: 0.42433478978957134
Energy: 0.424155746360725
Energy: 0.5101728790235985
Energy: 0.4309055257557243
Energy: 0.4237243777490915
Energy: 0.5093914644878212
Energy: 0.49610294962378604
Energy: 0.5000664029661233
Energy: 0.5091798179401213
Energy: 0.5143605058242828
Energy: 0.49826813597380326
Energy: 0.4388869801921287
Energy: 0.49652759388618467
Energy: 0.49712286631808683
Energy: 0.43679977081127636
Energy: 0.4972833583596444
Energy: 0.4356845605436822
Energy: 0.43471134900066344
Energy: 0.45856592752479786
Energy: 0.45915130836541956
Energy: 0.434806276500882
Energy: 0.4590264901836053
Energy: 0.5066277915965991
Energy: 0.5150389085700541
Energy: 0.45805684907575145
Energy: 0.45781679205449416
Energy: 0.4278486694410838
Energy: 0.45665963910501123
Energy: 0.49792521323371064
Energy: 0.5365909931438452
Energy: 0.45658373591926876
Energy: 0.4562374592376075
Energy: 0.5354303747080189
Energy: 0.46246617994668093
Energy: 0.45589366437038
Energy: 0.5299842202725429
Energy: 0.5100789754826868
Energy: 0.5108422696981562
Energy: 0.5300518599591476
Energy: 0.4897933836364747
Energy: 0.5236497391354853
Energy: 0.48940669978812046
Energy: 0.5097620286539601
Energy: 0.5105753961805443
Energy: 0.48960638872572504
Energy: 0.5281427434250838
Energy: 0.4865442284177839
Energy: 0.4645848858547593
Energy: 0.5413874043965828
Energy: 0.5251318956599534
Energy: 0.4646136280474756
Energy: 0.5587364439090183
Energy: 0.5395764881930484
Energy: 0.5169094477399133
Energy: 0.5208123124540582
Energy: 0.5145711203217165
Energy: 0.4338640547513898
Energy: 0.5209416026400324
Energy: 0.501510298600411
Energy: 0.4875584381974863
Energy: 0.5267115937653418
Energy: 0.5283807973334536
Energy: 0.48764902391222537
Energy: 0.5217010073272919
Energy: 0.531438516626263
Energy: 0.522581569655288
Energy: 0.5140174192404398
Energy: 0.5151710439763594
Energy: 0.5225584676321141
Energy: 0.4711121588200974
Energy: 0.5153946357336348
Energy: 0.5495314048714025
Energy: 0.48461443514981445
Energy: 0.5425461081093268
Energy: 0.5313501978534984
Energy: 0.4562178802203339
Energy: 0.5344114204932147
Energy: 0.4849255998099747
Energy: 0.5210628466561252
Energy: 0.5201537922107816
Energy: 0.48511536062212035
Energy: 0.5274838429258044
Energy: 0.5069866091215526

minimum gb energy = 0.4217248884669441 eV
minimum distance =  2.35350395855615 Angstroms
sigma value = 67


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

Energy: 0.662647160826405
Energy: 0.6571859962133177
Energy: 0.6548949524010428
Energy: 0.5681340231293428
Energy: 0.6489321339333964
Energy: 0.6508155385268796
Energy: 0.6407271038665091
Energy: 0.6556157162931942
Energy: 0.6485606279051817
Energy: 0.6555862785330188
Energy: 0.6545954303253522
Energy: 0.65327967272732
Energy: 0.6765734979714255
Energy: 0.6337117389037786
Energy: 0.6350007069393624
Energy: 0.6520055742224674
Energy: 0.6341976136480189
Energy: 0.6361810710621145
Energy: 0.6359034262058133
Energy: 0.6416026556846762
Energy: 0.6414673092592145
Energy: 0.6369706835025383
Energy: 0.641361592845517
Energy: 0.6414957957470827
Energy: 0.6248335519882756
Energy: 0.6508631200990317
Energy: 0.6539793733019268
Energy: 0.6248115236372396
Energy: 0.6530108302368933
Energy: 0.6537867335202
Energy: 0.6279311869417823
Energy: 0.6416294424247807
Energy: 0.6411537682558958
Energy: 0.5870805780786619
Energy: 0.6415754514126518
Energy: 0.6411587542827636
Energy: 0.6396042280844939
Energy: 0.6430928744556584
Energy: 0.6369401281534387
Energy: 0.6263662342222818
Energy: 0.6415131500185693
Energy: 0.6348442856623638
Energy: 0.6299895936885166
Energy: 0.6055153948504818
Energy: 0.6376670319234795
Energy: 0.629273541749209
Energy: 0.5617419169908303
Energy: 0.6317283045927419
Energy: 0.6520859129962583
Energy: 0.6543810792744507
Energy: 0.6523983520806451
Energy: 0.654528386044407
Energy: 0.5893207014051975
Energy: 0.6583976993338847
Energy: 0.6523624112901665
Energy: 0.5937664191382768
Energy: 0.5888289195730865
Energy: 0.6527684851753834
Energy: 0.5913042353613552
Energy: 0.5919674571457091
Energy: 0.6432547239026698
Energy: 0.640987197531877
Energy: 0.6403010392332735
Energy: 0.5641743436047825
Energy: 0.6387041199828702
Energy: 0.6414077809361045
Energy: 0.5693737085070323
Energy: 0.5957971085301905
Energy: 0.6386184054516898
Energy: 0.5702338281175999
Energy: 0.5938413118359976
Energy: 0.5625648264143998
Energy: 0.561574820731024
Energy: 0.5714762167563695
Energy: 0.6315626550469539
Energy: 0.5617073097991336
Energy: 0.5655699319410838
Energy: 0.5616855702690088
Energy: 0.6371045552761481
Energy: 0.6346408929664299
Energy: 0.63159424962583
Energy: 0.5638460458571459
Energy: 0.6064373436257396
Energy: 0.6308014186390781
Energy: 0.6389864418030368
Energy: 0.5671591577453046
Energy: 0.5717219911104641
Energy: 0.6393051384041427
Energy: 0.5656137048991652
Energy: 0.5651712028973505
Energy: 0.6391704253006517
Energy: 0.6436861918187602
Energy: 0.639995215563326
Energy: 0.5938366774745261
Energy: 0.6115685991314277
Energy: 0.6378739887277335
Energy: 0.5937603698222381
Energy: 0.5555545264365948
Energy: 0.6294902278316823
Energy: 0.5947206077321747
Energy: 0.5566219699084709
Energy: 0.588807595277471
Energy: 0.5885458257929699
Energy: 0.657459253772488
Energy: 0.6591212197866217
Energy: 0.5886524276344421
Energy: 0.658728641481118
Energy: 0.5906822802821793
Energy: 0.6296601622193498
Energy: 0.647076811827914
Energy: 0.6413139715418558
Energy: 0.5714793078583358
Energy: 0.6472909242264944
Energy: 0.643527010980015
Energy: 0.6430022491868398
Energy: 0.6342398616674214
Energy: 0.6343471878903687
Energy: 0.6342981351277035
Energy: 0.6349340664204535
Energy: 0.634290931893835
Energy: 0.6358056665664957
Energy: 0.6504547373100199
Energy: 0.6543452583721935
Energy: 0.6373233460834656
Energy: 0.6365331084411862
Energy: 0.6500699570637244
Energy: 0.676328145207377
Energy: 0.5988081668695294
Energy: 0.6518882350978086
Energy: 0.6515447746727169
Energy: 0.5976530333946903
Energy: 0.6481722353789919
Energy: 0.6406619464724341
Energy: 0.6395255521707708
Energy: 0.6278356556905214
Energy: 0.6407183956860432
Energy: 0.6370570077814569
Energy: 0.6338244260523602

minimum gb energy = 0.5555545264365948 eV
minimum distance =  2.35121235755962 Angstroms
sigma value = 33


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

Energy: 0.7765434539807893
Energy: 0.7745473336445324
Energy: 0.7705571352772647
Energy: 0.6820368220517128
Energy: 0.7821296868360351
Energy: 0.7483473477493874
Energy: 0.7408669235434391
Energy: 0.7147739530172419
Energy: 0.7159473544364111
Energy: 0.7655505731923645
Energy: 0.7140380575758453
Energy: 0.6712805901441077
Energy: 0.7860401914756248
Energy: 0.7060281904517356
Energy: 0.7381393788977013
Energy: 0.7550931160488963
Energy: 0.7051041208176394
Energy: 0.7376476691253215
Energy: 0.713802880077277
Energy: 0.7268957498550308
Energy: 0.7380196657064332
Energy: 0.7145907659261553
Energy: 0.7422123563128082
Energy: 0.738202966788636
Energy: 0.7149155909874118
Energy: 0.7183825441931978
Energy: 0.6685392085199048
Energy: 0.7153191942412819
Energy: 0.7673799599194867
Energy: 0.6704328055136771
Energy: 0.7335557177526345
Energy: 0.7138698599411798
Energy: 0.7170908880039779
Energy: 0.6639518244436915
Energy: 0.7535550665824967
Energy: 0.7146366802446018
Energy: 0.7139504819907047
Energy: 0.6637782863935676
Energy: 0.6635487915475903
Energy: 0.7140833102398647
Energy: 0.6631866561882953
Energy: 0.7110612103987696
Energy: 0.7154016114570675
Energy: 0.6625202036246476
Energy: 0.6761037846675898
Energy: 0.715418990803902
Energy: 0.6671090923364722
Energy: 0.6694490048028572
Energy: 0.7354930987078208
Energy: 0.7148043638709739
Energy: 0.746114366457765
Energy: 0.6698891924175264
Energy: 0.6635786530398176
Energy: 0.741617555790183
Energy: 0.7356362691754854
Energy: 0.6677160988536124
Energy: 0.663807578004912
Energy: 0.7364090807432806
Energy: 0.663625363038221
Energy: 0.6639828560511002
Energy: 0.7374127024260863
Energy: 0.6639340468907158
Energy: 0.7286788282445538
Energy: 0.66582815292773
Energy: 0.7008032812368891
Energy: 0.7270022940303361
Energy: 0.6626251141590042
Energy: 0.6627990911975707
Energy: 0.6636262488505672
Energy: 0.6624973731635255
Energy: 0.6742338511662866
Energy: 0.6639492331974937
Energy: 0.6633445054732376
Energy: 0.6718210448875213
Energy: 0.6721977079798087
Energy: 0.662461829749223
Energy: 0.6711450801871938
Energy: 0.6630092201253885
Energy: 0.7372849642670672
Energy: 0.6680572636966834
Energy: 0.6674382354067409
Energy: 0.6490429752232552
Energy: 0.735879883560245
Energy: 0.647150832035477
Energy: 0.6973012491174422
Energy: 0.716062746070808
Energy: 0.7114687515354073
Energy: 0.6458949402257013
Energy: 0.7162285605520765
Energy: 0.710534251002001
Energy: 0.712423230006338
Energy: 0.7416572486777612
Energy: 0.7409200119716692
Energy: 0.7128088448068888
Energy: 0.6744620841879945
Energy: 0.6686979716269725
Energy: 0.7853134704031782
Energy: 0.6757259216698122
Energy: 0.7385361763683091
Energy: 0.7533030659132711
Energy: 0.6790244230808831
Energy: 0.6457179400919631
Energy: 0.8009114398339531
Energy: 0.7113882070507284
Energy: 0.7101174049697825
Energy: 0.7655938877572653
Energy: 0.7133056599315657
Energy: 0.7665296853208311
Energy: 0.7218296592379623
Energy: 0.7521830582277004
Energy: 0.7418502023038877
Energy: 0.6707345725217583
Energy: 0.7517954721696335
Energy: 0.7331183988748861
Energy: 0.740565429339912
Energy: 0.7154516833663997
Energy: 0.7158658281375747
Energy: 0.740843905608139
Energy: 0.7706014707361921
Energy: 0.6706500042380482
Energy: 0.7885261354167363
Energy: 0.7424301088266319
Energy: 0.7422214179919902
Energy: 0.7542681698088188
Energy: 0.7162004810241165
Energy: 0.7451235882298268
Energy: 0.7555732161332195
Energy: 0.7265479994002362
Energy: 0.7385100941944502
Energy: 0.7560439956470231
Energy: 0.7053254740095634
Energy: 0.7379239192333266
Energy: 0.715280603237439
Energy: 0.7150806626415073
Energy: 0.670978082672224
Energy: 0.7154617053230602
Energy: 0.714797541690601
Energy: 0.6707127081480246
Energy: 0.7320367721054454
Energy: 0.7159838322668273
Energy: 0.7160224762999572
Energy: 0.6592434637857487
Energy: 0.716303814757704
Energy: 0.7062188192732671
Energy: 0.7136786350673054
Energy: 0.6643497980992015
Energy: 0.6651040871726924
Energy: 0.7137833079072848
Energy: 0.6625911111606994
Energy: 0.7628433219438053
Energy: 0.7160141002198411
Energy: 0.6623224238554493
Energy: 0.6770981183330496
Energy: 0.7157548665422117
Energy: 0.6662663315072449
Energy: 0.6688231206774802
Energy: 0.7345970486060325
Energy: 0.6641316944653751
Energy: 0.7465153449514282
Energy: 0.7371941008731896
Energy: 0.6781799099669741
Energy: 0.7420642820733441
Energy: 0.7358561436530274
Energy: 0.6638128238968964
Energy: 0.6632512183636508
Energy: 0.7363651190379782
Energy: 0.6639409366151516
Energy: 0.6640401910818666
Energy: 0.7373826041642483
Energy: 0.7012074426178772
Energy: 0.7251116953141599
Energy: 0.6664083111343113
Energy: 0.7000647550482543
Energy: 0.6653843155147505
Energy: 0.6628917368383064
Energy: 0.6631237477841472
Energy: 0.6645042681716459
Energy: 0.6628787720808095
Energy: 0.6758391308480419
Energy: 0.6637813723762566
Energy: 0.6651911339049347
Energy: 0.6726520272545126
Energy: 0.6632746490695784
Energy: 0.6643057112329179
Energy: 0.6701597419636754
Energy: 0.6632413027189296
Energy: 0.7376818108007133
Energy: 0.6691679777195814
Energy: 0.6674897326769457
Energy: 0.6489505430941681
Energy: 0.7361639663530551
Energy: 0.7247044779708907
Energy: 0.7369542133795122
Energy: 0.7157383685308155
Energy: 0.7116999515081435
Energy: 0.7393028241508945
Energy: 0.7172939210802891
Energy: 0.7108468670968372
Energy: 0.7106339638578728
Energy: 0.7312373732730238
Energy: 0.7092751166459206
Energy: 0.7114315020103775
Energy: 0.6740368644570428
Energy: 0.7117029018795094
Energy: 0.8443880836747022
Energy: 0.6764037273509905
Energy: 0.7389661920628603
Energy: 0.8440035456566609
Energy: 0.6485433401784384
Energy: 0.6461831629261253
Energy: 0.7839164565006166
Energy: 0.7169989459332478
Energy: 0.6708552769267612
Energy: 0.759885441778562
Energy: 0.7179930668258299
Energy: 0.6681656271566544
Energy: 0.7205062807136481
Energy: 0.7532518249548854
Energy: 0.742527231600928
Energy: 0.6745803333983655
Energy: 0.7525519538536659
Energy: 0.7336159112693958

minimum gb energy = 0.6457179400919631 eV
minimum distance =  2.36825383255271 Angstroms
sigma value = 41


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

Energy: 0.9181103309292984
Energy: 0.8936585632411763
Energy: 0.8935975999116097
Energy: 0.7781147627182228
Energy: 0.8555119647506944
Energy: 0.893773744036559
Energy: 0.8408564968255291
Energy: 0.8228665607578379
Energy: 0.8235264958426488
Energy: 0.8207051945399652
Energy: 0.8223638147251469
Energy: 0.7981003752791717
Energy: 0.9263857434362471
Energy: 0.7809214958301456
Energy: 0.7779289093834898
Energy: 0.8213523823544469
Energy: 0.7844603876606719
Energy: 0.8163002207335593
Energy: 0.8247707697409089
Energy: 0.780859073464102
Energy: 0.7787518586700284
Energy: 0.8250300083716758
Energy: 0.7821296712376713
Energy: 0.8064360151476729
Energy: 0.8045634652016057
Energy: 0.8244278876052944
Energy: 0.7997549653422371
Energy: 0.8047127267574755
Energy: 0.8238869791536008
Energy: 0.7817301489382752
Energy: 0.821307844946874
Energy: 0.8289787094203052
Energy: 0.7976667227468163
Energy: 0.8113485721378417
Energy: 0.8287913571015265
Energy: 0.7799606165406116
Energy: 0.8037830734995693
Energy: 0.7821528003553544
Energy: 0.7967268706266981
Energy: 0.8037150786627189
Energy: 0.7811214605954108
Energy: 0.7836306281723389
Energy: 0.8068497940360855
Energy: 0.7815110708884001
Energy: 0.7810592136526732
Energy: 0.8078397152217394
Energy: 0.78702101623033
Energy: 0.8045964473927172
Energy: 0.8544107555424382
Energy: 0.7827383149102624
Energy: 0.7803838701842556
Energy: 0.8575039204125523
Energy: 0.8285614458503696
Energy: 0.7799113842593728
Energy: 0.8258923910481232
Energy: 0.8096094558721686
Energy: 0.8042668053329002
Energy: 0.8135226797054711
Energy: 0.8052066066256788
Energy: 0.7800510164336374
Energy: 0.8147507343020992
Energy: 0.7982707426777095
Energy: 0.7839973867168174
Energy: 0.7806916184034522
Energy: 0.7637996583967349
Energy: 0.7833675984779838
Energy: 0.9279711496015911
Energy: 0.7635760364778492
Energy: 0.7638626356423022
Energy: 0.9286381941767731
Energy: 0.763542851821622
Energy: 0.8228472289604031
Energy: 0.9313974860856703
Energy: 0.8053447467246034
Energy: 0.7981082667227392
Energy: 0.8214173716698081
Energy: 0.8090213122753851
Energy: 0.7976799350015314
Energy: 0.7646841110173599
Energy: 0.8222500981402671
Energy: 0.7641695647555978
Energy: 0.7679221111381337
Energy: 0.8225004513787963
Energy: 0.7644511956823599

minimum gb energy = 0.763542851821622 eV
minimum distance =  2.36727279696951 Angstroms
sigma value = 11


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

Energy: 1.3569256833220995
Energy: 1.1538933817543973
Energy: 0.9568124609447589
Energy: 0.9386658556786862
Energy: 0.9890905883624573
Energy: 0.9180046417273603
Energy: 0.9999525795545191
Energy: 0.899662875912088
Energy: 0.8999731513168266
Energy: 0.9285924832502213
Energy: 0.898957561785278
Energy: 0.8971167641923884
Energy: 1.071571103460797
Energy: 0.9205828118351292
Energy: 0.9155218235498088
Energy: 0.9491245711386279
Energy: 0.8933679074853691
Energy: 0.9163072179142864
Energy: 0.926537786759121
Energy: 0.8903877290641953
Energy: 0.9167172453822265
Energy: 0.9068018966149188
Energy: 0.8904312254879263
Energy: 0.9168673894939617
Energy: 0.930755716497111
Energy: 0.901841732091471
Energy: 0.9020073294069858
Energy: 0.9087519053686901
Energy: 0.9017739170043102
Energy: 0.9027674215042484
Energy: 0.9541701887892023
Energy: 0.9204078096196446
Energy: 0.8916607108755055
Energy: 0.901001759771046
Energy: 0.9181369928580991
Energy: 0.9158593694793913
Energy: 0.9193986234434163
Energy: 0.9170677167398729
Energy: 0.9167435290440826
Energy: 0.9188903013378398
Energy: 0.902742574312569
Energy: 0.8907353262111509
Energy: 0.916190062850988
Energy: 0.9054961133284418
Energy: 0.926594521703994
Energy: 0.8996645763048646
Energy: 0.9248542197913705
Energy: 0.9002680007599944
Energy: 0.8936119297433949
Energy: 0.9249415394064429
Energy: 0.9202054707647253
Energy: 0.8896281803102412
Energy: 0.9111583187343583
Energy: 0.8906031693209866
Energy: 0.9230295233327573
Energy: 0.9269760509485407
Energy: 0.920617799284361
Energy: 0.8897390450623998
Energy: 0.9269217649739429
Energy: 0.8910639507210878
Energy: 0.9170033309252351
Energy: 0.9052586680176715
Energy: 0.8998593076437024
Energy: 0.9028120866508303
Energy: 0.9069333659684784
Energy: 0.9015510191078517
Energy: 0.9018299636176148
Energy: 0.9127367557458588
Energy: 0.935511533566431
Energy: 0.9018432240222819
Energy: 0.9127182003663405
Energy: 0.9536078264170448
Energy: 0.89892434953154
Energy: 0.9064168463736025
Energy: 0.9053073234079898
Energy: 0.8990072438620844
Energy: 0.9088746619620798
Energy: 0.9336648688151177
Energy: 0.920557609009762
Energy: 0.9497356596284479
Energy: 0.9175934779361655
Energy: 0.8955446854113707
Energy: 0.9533733641150303
Energy: 0.9232909933660249
Energy: 0.8915015932983444
Energy: 0.905195607990172
Energy: 0.9399391849438681
Energy: 0.8921053018747827
Energy: 0.90651916695219
Energy: 0.8925358892610621
Energy: 0.8920666020212803
Energy: 0.9343584172993715
Energy: 0.8920492477847539
Energy: 0.8933302478194706
Energy: 0.9052873905116215
Energy: 0.8922358512253997
Energy: 0.8913695646147826
Energy: 0.8976268266285913
Energy: 0.9034829242185337
Energy: 0.8915963636025672
Energy: 0.900041222771945
Energy: 0.8962866200965571
Energy: 0.9412364800258503
Energy: 0.9512575578313468
Energy: 0.9441241349249049
Energy: 0.9027865943764215
Energy: 0.9755117938945272
Energy: 0.9038143211966694
Energy: 0.907983967316509
Energy: 0.901227059124795
Energy: 0.9007796071241525
Energy: 0.9081580727702837
Energy: 0.9011831884245464
Energy: 0.9273966082417774
Energy: 0.9248617374509435
Energy: 0.8913358053180819
Energy: 0.9102014653586229
Energy: 0.907423725839057
Energy: 0.8925933872451721
Energy: 0.8950414290065261
Energy: 0.9819684272611601
Energy: 0.892364633181576
Energy: 0.892757228587076
Energy: 0.9080226022343892
Energy: 0.9026456684027911
Energy: 0.9007650467991892
Energy: 0.912563101193121
Energy: 0.9217865832042794
Energy: 0.9015027162623117
Energy: 0.8967601149001682
Energy: 0.906329184406897
Energy: 0.9009421081970052
Energy: 0.9182752773129246
Energy: 0.9203153857009022
Energy: 0.9150402260625093
Energy: 0.8929619910089412
Energy: 0.9076724075282906
Energy: 0.9168671392748857
Energy: 0.9787953884907545
Energy: 0.9115403528177124
Energy: 0.9302480879717525
Energy: 0.9087975650991171
Energy: 0.9086157179915939
Energy: 0.9289531800352548
Energy: 0.9731371443888676
Energy: 0.9151859052882159
Energy: 0.9228761938615863
Energy: 0.9742750271999688
Energy: 0.901943054380046
Energy: 0.9106638073288889
Energy: 0.9466355263648902
Energy: 0.8950003332237294
Energy: 0.896239017198833
Energy: 0.9062115745101845
Energy: 0.8923253360195395
Energy: 0.8915171180423032
Energy: 0.943135353253074
Energy: 0.8910682411843428
Energy: 0.891605010627571
Energy: 0.9077383711229178
Energy: 0.8937973183313032
Energy: 0.8922700448276051
Energy: 0.9428762491119966
Energy: 0.9007298357590622
Energy: 0.8927179441266643
Energy: 0.9069224596575735
Energy: 0.8983393345252348
Energy: 0.9387613411929343
Energy: 0.9871734750377624
Energy: 0.913743710048343
Energy: 0.9203948769375182
Energy: 0.9046132950966536
Energy: 0.902570038940351
Energy: 0.9282556367647522
Energy: 1.061312121990836
Energy: 0.8993228353376758
Energy: 0.8966692594615916
Energy: 0.9092998032141536
Energy: 0.8987982520689564
Energy: 0.8944426968530201
Energy: 0.9310904573285853
Energy: 0.9042623674622895
Energy: 0.8880011111753895
Energy: 0.8952951110310609
Energy: 0.9026321684982943
Energy: 0.8876585467655284

minimum gb energy = 0.8876585467655284 eV
minimum distance =  2.33513323963785 Angstroms
sigma value = 57


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

Energy: 1.2368344537253815
Energy: 1.0212996068265694
Energy: 1.0251051520662795
Energy: 1.0171927488714498
Energy: 1.334722257064989
Energy: 1.0212279295991682
Energy: 0.881893372526435
Energy: 0.9112339654275338
Energy: 0.9057674276453043
Energy: 0.9144860880542495
Energy: 0.91593381509499
Energy: 0.9039411414245776
Energy: 0.9597916799017749
Energy: 0.9330968391982455
Energy: 0.9104556636090056
Energy: 0.9604533518088137
Energy: 0.9074869481868879
Energy: 0.9090291604866435
Energy: 0.911452002404883
Energy: 0.9163782265307113
Energy: 0.9029686469444981
Energy: 0.9120873693301106
Energy: 0.9075703783057238
Energy: 0.9033865014403489
Energy: 0.9112464964909783
Energy: 0.914996434412154
Energy: 0.9076472412757974
Energy: 0.913962202631853
Energy: 0.9118849770925822
Energy: 0.9039510888900604
Energy: 0.9117150896275852
Energy: 0.9603582082482162
Energy: 0.9897845015617724
Energy: 0.9177491151396502
Energy: 0.9635693082233006
Energy: 0.914518264554338
Energy: 0.9592456867123689
Energy: 0.9363611852351195
Energy: 0.9379225490932475
Energy: 0.9601037245994152
Energy: 0.931604298346728
Energy: 0.9601292719769005
Energy: 1.0074384485811463
Energy: 0.9163488165556529
Energy: 0.9061353509024919
Energy: 0.915194793396003
Energy: 0.914339719052364
Energy: 0.9033515011113156
Energy: 0.881369496806669
Energy: 0.9134548401281035
Energy: 0.9336156074262536
Energy: 0.8819951900705987
Energy: 0.949015692828752
Energy: 0.8833317807675398
Energy: 0.9312159164106109
Energy: 0.9131747732192471
Energy: 0.9340291201845637
Energy: 0.881963001593776
Energy: 0.9509331940088755
Energy: 0.8831041335434354
Energy: 0.9589069127351764
Energy: 0.9177804945815705
Energy: 0.906095106126546
Energy: 0.9155449433154531
Energy: 0.9145243409152315
Energy: 0.9032499592227792
Energy: 0.9492869446364718
Energy: 0.9754320556031469
Energy: 0.973561747163916
Energy: 0.950242198639009
Energy: 0.8993889241303995
Energy: 0.9124877310277697
Energy: 0.910019099989544
Energy: 0.9117714683423683
Energy: 0.9029900635718683
Energy: 0.9141558956152224
Energy: 0.9163550372331379
Energy: 0.9033123035291535
Energy: 0.9117596788420995
Energy: 0.9604795212804834
Energy: 0.911610197690971
Energy: 0.9036951724296339
Energy: 0.9625227441716602
Energy: 0.9111104658469117
Energy: 0.9169580526000176
Energy: 0.9297374242765764
Energy: 0.9048619672867488
Energy: 0.9152876409474906
Energy: 0.9270562198439114
Energy: 0.9031434279027417
Energy: 0.9611593766798661
Energy: 0.9309143068378753
Energy: 0.88243463742906
Energy: 0.9598264141855857
Energy: 0.9286573284761294
Energy: 0.9183360014143437
Energy: 0.8818267504388986
Energy: 0.9128396162222311
Energy: 0.90567831176472
Energy: 0.8814151674056228
Energy: 0.9167751358226944
Energy: 0.906097120878115

minimum gb energy = 0.881369496806669 eV
minimum distance =  2.36159848507769 Angstroms
sigma value = 9


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

Energy: 1.4903059100272524
Energy: 1.0189353968358825
Energy: 0.9641650728898438
Energy: 0.9576231854773012
Energy: 1.0172997701173188
Energy: 1.0496609946730726
Energy: 0.9924607078063207
Energy: 0.991908066378663
Energy: 0.9604135718730334
Energy: 0.9603158472965445
Energy: 0.9909195206685147
Energy: 0.9633759846365303
Energy: 0.969042025949212
Energy: 0.9708301455373326
Energy: 0.9622665115293062
Energy: 0.9478729778072934
Energy: 0.9590843317992153
Energy: 0.9649282232381929
Energy: 0.9548293278034633
Energy: 0.9606690432071825
Energy: 0.9847243732134456
Energy: 0.9550537024667637
Energy: 0.9594451557657314
Energy: 0.9615489863942802
Energy: 1.005301280480893
Energy: 0.9318087640866376
Energy: 0.9311982147081443
Energy: 0.92876719296103
Energy: 0.9295711663515612
Energy: 0.928288404425119
Energy: 0.9651410449854784
Energy: 0.9654825561620086
Energy: 0.9633656315387463
Energy: 0.9664127713379017
Energy: 0.9684948441200498
Energy: 0.9632319535146907
Energy: 0.9487290237115916
Energy: 0.9633004992205315
Energy: 0.9489074029268177
Energy: 0.9288955703989903
Energy: 0.9658192378629169
Energy: 0.9590032067829448
Energy: 0.9862554547042999
Energy: 0.9613740359613899
Energy: 0.9675713891669774
Energy: 0.9489388352191135
Energy: 0.9620968915472636
Energy: 0.9680066277676963
Energy: 1.0107381964124476
Energy: 0.9329184459823874
Energy: 0.9288892163399248
Energy: 0.9730978234188989
Energy: 0.950457949213174
Energy: 0.9750180122725096
Energy: 0.9817849022704813
Energy: 0.9320391171740054
Energy: 0.9293218112944724
Energy: 0.9740218969761444
Energy: 0.9502992540370991
Energy: 0.9288878830058322
Energy: 0.9864576502144341
Energy: 0.9507492262005207
Energy: 0.9300847958990107
Energy: 0.9508850109995627
Energy: 0.9501473107209463
Energy: 0.9295174301133555
Energy: 0.9863949307288394
Energy: 0.9601546027296681
Energy: 0.962387077279724
Energy: 0.9707025098768807
Energy: 0.9602011341963115
Energy: 0.9617055664993286
Energy: 1.1481950709493323
Energy: 0.9604441914276294
Energy: 0.9632324505238522
Energy: 0.9729487393259415
Energy: 0.9565632028499413
Energy: 0.9626752806705692
Energy: 0.9729212254203414
Energy: 0.9595896651957703
Energy: 0.9598679302741471
Energy: 0.9703554638463859
Energy: 0.975690160975286
Energy: 0.9609936523640507
Energy: 0.9862540409382244
Energy: 0.9271476078877672
Energy: 0.9278214729261598
Energy: 0.9706355748381044
Energy: 0.9275632044956383
Energy: 0.92875884966237
Energy: 0.9707792938383665
Energy: 0.9711967825429397
Energy: 0.926400448914542
Energy: 0.9715939590849272
Energy: 0.981182519390413
Energy: 0.9273486913772175
Energy: 0.9665091178533552
Energy: 0.9593271037348886
Energy: 0.97638129998171
Energy: 0.9704987459026672
Energy: 0.9593266854497855
Energy: 0.9622279110781142
Energy: 1.081754286352105
Energy: 0.9603466786714846
Energy: 0.9290809346905096
Energy: 0.9326396131157287
Energy: 0.976833674541016
Energy: 0.9292263752937644
Energy: 0.9753821623276183
Energy: 0.960810677015519
Energy: 0.9624061932953202
Energy: 0.9761122303635601
Energy: 0.950097894130419
Energy: 0.9630808520719348
Energy: 0.9698892720793338
Energy: 0.9609408086645671
Energy: 0.9625990659741707
Energy: 0.9286089999805555
Energy: 0.9601253865835804
Energy: 0.9659834396767332
Energy: 0.9750666928159506
Energy: 0.9753353247573331
Energy: 0.928680158899828
Energy: 0.9614232080721996
Energy: 0.973522604043849
Energy: 0.9277274965890279

minimum gb energy = 0.926400448914542 eV
minimum distance =  2.36240633903157 Angstroms
sigma value = 27


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

Energy: 1.0027749095610856
Energy: 0.9507559440149265
Energy: 0.8966932524004898
Energy: 0.9184083048081991
Energy: 1.3035949544834367
Energy: 0.9644165118845818
Energy: 0.9510647057857258
Energy: 0.9383785964454763
Energy: 0.925141935496431
Energy: 0.9488438079457772
Energy: 0.937239205868648
Energy: 0.9482762156313203
Energy: 1.019856692683263
Energy: 0.9465158986221706
Energy: 0.9367022833782924
Energy: 0.9563639825907816
Energy: 0.9575430298028185
Energy: 0.9512803171122286
Energy: 1.0129230727111516
Energy: 0.928629019186576
Energy: 0.9868618884464853
Energy: 0.9913535501750537
Energy: 0.9539412800344245
Energy: 0.9448073277260189
Energy: 0.9800051355660641
Energy: 0.9319724371725826
Energy: 0.9365070726129356
Energy: 0.9719365798139337
Energy: 0.9535393880152742
Energy: 0.9339454111348554
Energy: 1.0262881626376714
Energy: 0.9493238208466691
Energy: 0.9836731615470392
Energy: 0.997914994530823
Energy: 0.9668718046157756
Energy: 0.9561045251923876
Energy: 1.013757227779863
Energy: 0.9018861594374948
Energy: 0.9016309558903259
Energy: 0.9289413910721954
Energy: 0.8967697618790458
Energy: 0.8989428796212013
Energy: 1.0136128400882154
Energy: 0.9314917318557583
Energy: 0.9830018150674171
Energy: 0.9831205685935527
Energy: 0.9307017736987035
Energy: 0.9853202074468996
Energy: 1.0407083141456306
Energy: 1.0077980355451255
Energy: 0.985459337078413
Energy: 0.9810414490709751
Energy: 1.0062931110315405
Energy: 0.9821884105467779
Energy: 1.0138094361216659
Energy: 1.003484152059142
Energy: 1.004431500449635
Energy: 0.9811767778010343
Energy: 1.0033379776703042
Energy: 0.9836659099506782
Energy: 1.0123527953063576
Energy: 0.9838134665564715
Energy: 0.9828021962212781
Energy: 0.9831319497721421
Energy: 0.9589211286834383
Energy: 0.9856515370432505
Energy: 1.033152283103401
Energy: 0.9876492883370555
Energy: 0.9879169982513786
Energy: 0.9915283251627163
Energy: 1.0084752856723656
Energy: 0.9875721449879447
Energy: 0.9287842507896221
Energy: 0.9911435158854475
Energy: 0.9038750165297573
Energy: 0.8988037883087044
Energy: 0.9926550754450386
Energy: 0.8970697501084635
Energy: 0.9205930439533592
Energy: 0.9917867521280724
Energy: 0.9877851698022914
Energy: 0.9001178639372637
Energy: 0.9885881242411716
Energy: 0.8981857789361187
Energy: 1.017472686239074
Energy: 0.9893749402687275
Energy: 0.9876645272250841
Energy: 0.9916860892320581
Energy: 0.9869422795269417
Energy: 0.9897178113199561
Energy: 1.0116433158054565
Energy: 0.9869323195517192
Energy: 0.9913300587711279
Energy: 0.9966631537811238
Energy: 0.9906662797842106
Energy: 1.000932794559937
Energy: 0.9945171880993131
Energy: 0.9886152276602193
Energy: 0.9881050564313795
Energy: 0.9597059478768658
Energy: 0.9884754748725609
Energy: 0.9912440927031718
Energy: 1.0304862317584311
Energy: 0.9862929360249714
Energy: 0.9848998632127772
Energy: 0.9808951222851114
Energy: 0.9869054576513113
Energy: 0.9838973505334283
Energy: 1.006369790638032
Energy: 0.89669281279703
Energy: 0.897864199490381
Energy: 0.9927606573995919
Energy: 0.8979800128736759
Energy: 0.8967681143038115
Energy: 1.020140955258819
Energy: 0.8967454342549936
Energy: 0.897724331147313
Energy: 0.9588158875637574
Energy: 0.8979116046071411
Energy: 0.8974212685175402
Energy: 1.0187226344979032
Energy: 0.95179530563546
Energy: 0.9861925818433629
Energy: 0.9799192332890312
Energy: 0.988290186934221
Energy: 0.9856300611577237
Energy: 0.9734527769711866
Energy: 0.9459698625806117
Energy: 0.9529642847329844
Energy: 0.9734053022556234
Energy: 0.9572422373156959
Energy: 0.9476052714735836
Energy: 1.019186246507045
Energy: 0.9401954122303797
Energy: 0.9540543723136379
Energy: 0.9452716419402553
Energy: 0.9418168891867793
Energy: 0.9958127299375646
Energy: 1.0204071326213988
Energy: 0.9453271599638836
Energy: 0.9415539149480607
Energy: 0.9286923644516264
Energy: 0.9257429037605254
Energy: 0.9307218958116213
Energy: 1.0229826019831105
Energy: 0.9478797333826415
Energy: 0.9350783234009008
Energy: 0.8998738991837504
Energy: 0.9454029790705867
Energy: 0.9416048529168856

minimum gb energy = 0.89669281279703 eV
minimum distance =  2.3140794056076 Angstroms
sigma value = 19


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

Energy: 1.443715248630039
Energy: 0.8946985969202332
Energy: 0.9141734052481529
Energy: 0.9369008422391102
Energy: 0.9295500872551511
Energy: 0.9144746669602429
Energy: 0.947889822907528
Energy: 0.9238971569816898
Energy: 0.9237603953068414
Energy: 0.9237629481673143
Energy: 0.923839284883964
Energy: 0.923398707062678
Energy: 0.9532500631765899
Energy: 0.9233073002494141
Energy: 0.9155491249421082
Energy: 0.9325971409000973
Energy: 0.9235196952062232
Energy: 0.915582482630275
Energy: 0.9522629643510241
Energy: 0.9243719762849578
Energy: 0.92443706445637
Energy: 0.9235249320193993
Energy: 0.9205108434206288
Energy: 0.9240533842824408
Energy: 0.9508528529232619
Energy: 0.9238316838417864
Energy: 0.9161718201560392
Energy: 0.9295876152672592
Energy: 0.9318476665782132
Energy: 0.9127352021507262
Energy: 0.9529481246331639
Energy: 0.9235816454927672
Energy: 0.9652475350036223
Energy: 0.9235178582702529
Energy: 0.9240986936754203
Energy: 0.9244065282229466
Energy: 0.9541767596446633
Energy: 0.9247442975440564
Energy: 0.926733044793303
Energy: 0.923353482509102
Energy: 0.9213442312594156
Energy: 0.9237811343184019
Energy: 0.952057250621363
Energy: 0.9286508648681995
Energy: 0.9155448775471492
Energy: 0.9236846322806461
Energy: 0.911423666443832
Energy: 0.919589688642782
Energy: 0.9375949632255489
Energy: 0.9183009840234253
Energy: 0.9244570322571537
Energy: 0.9218835451538456
Energy: 0.9256836238521623
Energy: 0.9243894867898318
Energy: 0.9389900417425721
Energy: 0.9370485817717813
Energy: 0.9367820961708977
Energy: 0.9220301447352037
Energy: 0.9377215126638433
Energy: 0.9133550091417156
Energy: 0.9527760380593665
Energy: 0.9142006828848016
Energy: 0.8973349867684178
Energy: 0.9324317972529751
Energy: 0.9147309290901354
Energy: 0.8945943610816318
Energy: 0.9467962062156544
Energy: 0.9425275939235956
Energy: 0.8900051225482729
Energy: 0.8918965275336436
Energy: 0.9303542353589547
Energy: 0.9038197848550718
Energy: 0.9704625448589731
Energy: 0.9253006234935213
Energy: 0.9239708437002123
Energy: 0.9257390489677421
Energy: 0.9471758450406011
Energy: 0.9237009318870818
Energy: 0.9985802249767215
Energy: 0.9372445504100709
Energy: 0.9342565177578751
Energy: 0.9154908288764348
Energy: 0.9388021117455955
Energy: 0.9232725296321863
Energy: 0.9460788600938076
Energy: 0.8893873186064775
Energy: 0.8892923122275557
Energy: 0.9140139799076604
Energy: 0.8896008970971577
Energy: 0.8907180840562109
Energy: 0.946767187242502
Energy: 0.8913518184333648
Energy: 0.8892142208643431
Energy: 0.9127846201348125
Energy: 0.9214619138251444
Energy: 0.8913511269326937
Energy: 0.9511969917972511
Energy: 0.9298834257350802
Energy: 0.9312476705609806
Energy: 0.9207866207693752
Energy: 0.9386712622318482
Energy: 0.9308436278989671
Energy: 0.973654483189645
Energy: 0.9039385259950945
Energy: 0.8915910591915169
Energy: 0.9319687874408202
Energy: 0.9067340216733534
Energy: 0.8915672892819567
Energy: 0.9592502957885007
Energy: 0.8885395241612284
Energy: 0.905400989610257
Energy: 0.9301413339673626
Energy: 0.9167931322081891
Energy: 0.9002894656316622
Energy: 0.9483400602088188
Energy: 0.8884139918783208
Energy: 0.9011608592425635
Energy: 0.9303344620800709
Energy: 0.9171933122061563
Energy: 0.9161706603751365
Energy: 0.9237734035193386
Energy: 0.9089744225413193
Energy: 0.8922280541766913
Energy: 0.8927416548506106
Energy: 0.9084338046108682
Energy: 0.8890297988796443
Energy: 0.919982286713102
Energy: 0.8917122559113857
Energy: 0.8914474303748371
Energy: 0.9241183907781252
Energy: 0.8913484237153219
Energy: 0.8890478564752864
Energy: 0.9406577550545826
Energy: 0.9282533751541215
Energy: 0.9280726298751214
Energy: 0.9489702156785187
Energy: 0.9138354552820832
Energy: 0.9175247150820265
Energy: 0.9531003859172426
Energy: 0.9126697007033864
Energy: 0.9144119363221891
Energy: 0.939960179465862
Energy: 0.9131255264162265
Energy: 0.9152300033120023
Energy: 0.9812328248712795
Energy: 0.8923321006488611
Energy: 0.890664284457591
Energy: 0.9203350930217984
Energy: 0.9005926348418739
Energy: 0.8896509551274921
Energy: 0.9546813619783299
Energy: 0.9147613432822976
Energy: 0.9157936063418732
Energy: 0.9222143682269852
Energy: 0.9265725218274469
Energy: 0.9165129152360524
Energy: 0.954169542922226
Energy: 0.9227944993392361
Energy: 0.9249380339074975
Energy: 0.9410346304023217
Energy: 0.922201931609559
Energy: 0.9243483898089682
Energy: 0.9527744436411408
Energy: 0.9232564491267701
Energy: 0.9236069501195646
Energy: 0.9134227231732008
Energy: 0.9220319714734849
Energy: 0.9246858830071835
Energy: 0.9869280240841211
Energy: 0.9682209880542441
Energy: 0.9686682509816369
Energy: 0.9129804147917087
Energy: 0.9651850550377082
Energy: 0.9135074567562123

minimum gb energy = 0.8884139918783208 eV
minimum distance =  2.33588179209405 Angstroms
sigma value = 101


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

Energy: 1.3323725991965174
Energy: 0.9023844427559995
Energy: 0.9028460373088534
Energy: 0.8580901357071702
Energy: 0.8860353700811326
Energy: 0.8613778969644729
Energy: 0.9843128304752063
Energy: 0.8835871190622675
Energy: 0.8835917836258695
Energy: 0.8933631775746522
Energy: 0.8849131030892539
Energy: 0.9023469900601632
Energy: 0.9382938628498381
Energy: 0.8925991763205972
Energy: 0.8828285019993221
Energy: 0.8834335418951691
Energy: 0.8927191829154258
Energy: 0.8838056792369741
Energy: 0.9310205149187868
Energy: 0.8936888542194031
Energy: 0.8947623297522368
Energy: 0.8858610054758372
Energy: 0.9084735126952267
Energy: 0.8945614897332951
Energy: 0.9032142686221606
Energy: 0.8846279840473892
Energy: 0.8863720599986546
Energy: 0.9046863509442146
Energy: 0.8837872882037034
Energy: 0.9033432931538384
Energy: 0.9171205031927554
Energy: 0.911900222952178
Energy: 0.9196947852813901
Energy: 0.9157230945387679
Energy: 0.9236871640495967
Energy: 0.9191818068040776
Energy: 0.9375449982525689
Energy: 0.8891043616398361
Energy: 0.8824512076851695
Energy: 0.920093096884252
Energy: 0.884790576120107
Energy: 0.8813694155600271
Energy: 0.9379890030634207
Energy: 0.8939933469278111
Energy: 0.8934775154746876
Energy: 0.8849892045791976
Energy: 0.9118773537825012
Energy: 0.8860238995243633
Energy: 0.889924894170102
Energy: 0.8823208927528225
Energy: 0.896906681060641
Energy: 0.8890526897431923
Energy: 0.8805201545534541
Energy: 0.893280636079865
Energy: 0.8889145689508959
Energy: 0.895663506476791
Energy: 0.8954978288568815
Energy: 0.8883416116699362
Energy: 0.8951556691407262
Energy: 0.8962804128615998
Energy: 0.9365971114944918
Energy: 0.8546029955330467
Energy: 0.853387438511288
Energy: 0.9244971149954824
Energy: 0.8776919113115678
Energy: 0.8541075178751942
Energy: 0.9408419007325494
Energy: 0.8951151064935653
Energy: 0.8961749543422963
Energy: 0.884833737018438
Energy: 0.8903722292745642
Energy: 0.8963722786995587
Energy: 0.9119029085499206
Energy: 0.8841058144243757
Energy: 0.8865233947588006
Energy: 0.884300402714504
Energy: 0.8827859568317584
Energy: 0.8832215862576878
Energy: 0.9270429167543295
Energy: 0.8849247434705452
Energy: 0.9040020046546496
Energy: 0.8846512350909393
Energy: 0.8847890382404398
Energy: 0.8990104264901392
Energy: 0.9369589067591926
Energy: 0.8919439354435253
Energy: 0.8943839485049999
Energy: 0.8883033587553676
Energy: 0.8891673436192629
Energy: 0.8964911007691062
Energy: 0.937920428660951
Energy: 0.8993412740836478
Energy: 0.8929547873013823
Energy: 0.8824881154568295
Energy: 0.892252579620747
Energy: 0.8927707871203392
Energy: 0.9136164523313555
Energy: 0.9551299859450997
Energy: 0.901211500194183
Energy: 0.8656318942958117
Energy: 0.9121644212842414
Energy: 0.8874769771899055
Energy: 0.9868092984112539
Energy: 0.8832740770442901
Energy: 0.8831361980850141
Energy: 0.9065672157016024
Energy: 0.8841576735998032
Energy: 0.9024925488752018
Energy: 0.9371537975207381
Energy: 0.8952669833374169
Energy: 0.897492059710325
Energy: 0.880698939834385
Energy: 0.8886435224289587
Energy: 0.884153411126171
Energy: 0.9285891706474217
Energy: 0.8918513289054298
Energy: 0.8931457719949151
Energy: 0.884517856996879
Energy: 0.8904157152125285
Energy: 0.9006231457296533
Energy: 0.9059123000743358
Energy: 0.8834660223218632
Energy: 0.883860771388328
Energy: 0.9044913656400816
Energy: 0.8844031896121797
Energy: 0.898874300484739
Energy: 0.9299433068968689
Energy: 0.8854898969223648
Energy: 0.8934164333668845
Energy: 0.8920669991337207
Energy: 0.8852983973090267
Energy: 0.8933728789718903
Energy: 0.9162292292077334
Energy: 0.8882738053049413
Energy: 0.8879709498284581
Energy: 0.9116892506021299
Energy: 0.8875440598852858
Energy: 0.8808163498201501
Energy: 0.9364061083719395
Energy: 0.891239161489941
Energy: 0.8937287268039413
Energy: 0.884486521243203
Energy: 0.8877088098538599
Energy: 0.8834196961446017
Energy: 0.8963408222046798
Energy: 0.8830762657113083
Energy: 0.9009251142511224
Energy: 0.8941975051498661
Energy: 0.881366396323907
Energy: 0.8986075640754918
Energy: 0.890401640641985
Energy: 0.8979407857758946
Energy: 0.896949907608206
Energy: 0.8897302117586652
Energy: 0.8858071715923902
Energy: 0.8954683077907247
Energy: 0.9322188967609957
Energy: 0.8808910742491716
Energy: 0.8907348680527304
Energy: 0.8855361041720486
Energy: 0.870196289906468
Energy: 0.8551612864813035
Energy: 0.938241432969773
Energy: 0.8771847892047279
Energy: 0.8808382275065729
Energy: 0.8890037992205005
Energy: 0.869893483484591
Energy: 0.9011630804293521
Energy: 0.9108116813851813
Energy: 0.8851914336206801
Energy: 0.8857400645811091
Energy: 0.883871679481626
Energy: 0.8884084132395895
Energy: 0.8975944465224147
Energy: 0.9129851839563865
Energy: 0.8933249416287992
Energy: 0.8977570646517061
Energy: 0.8842158817546807
Energy: 0.8855039709724238
Energy: 0.9124075122631566
Energy: 0.9383067585161791
Energy: 0.8974309012660859
Energy: 0.8999324963829636
Energy: 0.8888058847615649
Energy: 0.8882452648363025
Energy: 0.9007234074294634
Energy: 0.9371795288298904
Energy: 0.8924432655276873
Energy: 0.8926604256790911
Energy: 0.8814832437487177
Energy: 0.8924698837826758
Energy: 0.9019474968418265
Energy: 0.9147442372539755
Energy: 0.8948158648518223
Energy: 0.90552908437082
Energy: 0.8660167098489155
Energy: 0.8911524561709506
Energy: 0.9023005318082589

minimum gb energy = 0.853387438511288 eV
minimum distance =  2.32704010857752 Angstroms
sigma value = 33


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

Energy: 0.015562670706295457
Energy: 0.016219512485276262
Energy: 0.01612391605572036
Energy: 0.01740966227125498
Energy: 0.7841523869577703
Energy: 0.01613613618511316
Energy: 0.016277230314513655
Energy: 0.1209991585218733
Energy: 0.11913422294120563
Energy: 0.1211069455908161
Energy: 0.12086111673538774
Energy: 0.11896518076084257
Energy: 1.1183370157982742
Energy: 0.7850343834041877
Energy: 0.7830194100514255
Energy: 0.7857425086816503
Energy: 0.7851057217443935
Energy: 0.7827359225319909
Energy: 0.44951145949966737
Energy: 0.1209991585218733
Energy: 0.11913422294120563
Energy: 0.1211069455908161
Energy: 0.12086111673538774
Energy: 0.11896518076084257

minimum gb energy = 0.015562670706295457 eV
minimum distance =  2.50488114058857 Angstroms
sigma value = 1