Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8900000602006912
cohesive_energy=3.8903059725131426
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.464560876375838e-19, 2.1023761791347998e-19, 2.61484839728604e-19, 3.0524028360314396e-19, 3.43665285816366e-19, 3.7793103748772395e-19, 4.0875691592588397e-19, 4.36621971944412e-19, 4.618706735196179e-19, 4.8475456238304e-19, 5.05473910613928e-19, 5.24180924992512e-19, 5.41002177472878e-19, 5.56045013889504e-19, 5.69395951780626e-19, 5.81130293448042e-19, 5.913121259571119e-19, 6.000023320199279e-19, 6.07247374758876e-19, 6.130937172963419e-19, 6.175830162248099e-19, 6.207489172535939e-19, 6.22626668268642e-19, 6.23246710626e-19, 6.2256738773318395e-19, 6.20341964388558e-19, 6.1624359655878595e-19, 6.09874944438636e-19, 6.00748946331372e-19, 5.882695925291459e-19, 5.71699881780318e-19, 5.50121766873606e-19, 5.22394498045602e-19, 4.87072911972438e-19, 4.421158356223979e-19, 3.83266285678944e-19, 3.0412196431261195e-19, 1.97376946072362e-19, 5.430273287382539e-20, -1.3753532835713518e-19, -3.9941141961976194e-19, -7.68536894327022e-19, -1.2946820878728179e-18, -2.04884745779286e-18, -3.1351392374112e-18, -4.690820705492519e-18, -6.9108607366282794e-18, -1.005931406186802e-17, -1.44783895884678e-17, -2.04871928366214e-17, -2.8018063887075e-17, -3.9319016774994e-17, -5.71614966418716e-17, -8.78274778519584e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.012958290235267907
Energy: 0.4546584326552917
Energy: 0.01334929423655712
Energy: 0.013165017089840652
Energy: 0.454426214128621
Energy: 0.013493867901160127
Energy: 0.4546584326552917
Energy: 0.09818882054949352
Energy: 0.0983313527433406
Energy: 0.09778645693661829
Energy: 0.0977529621905892
Energy: 0.09829440042092676
Energy: 0.01334929423655712
Energy: 0.09833135274228735
Energy: 0.09810835184789142
Energy: 0.013783589108645487
Energy: 0.09775464873935427
Energy: 0.09819196399503953
Energy: 0.013165017089840652
Energy: 0.09778645693661829
Energy: 0.013783589108374652
Energy: 0.013194804286810701
Energy: 0.09825115718055576
Energy: 0.013535924445639586
Energy: 0.45442621413099843
Energy: 0.09775296219272579
Energy: 0.09775464873986583
Energy: 0.09825115718371549
Energy: 0.09806592913963184
Energy: 0.09825993550719862
Energy: 0.013493867900889292
Energy: 0.09829440042170917
Energy: 0.09819196399371546
Energy: 0.01353592444591042
Energy: 0.09825993550798104
Energy: 0.013993602576962449

minimum gb energy = 0.012958290235267907 eV
minimum distance =  2.74351309033789 Angstroms
sigma value = 1


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

Energy: 1.3787159085653788
Energy: 0.9043143331741502
Energy: 0.9403060365955828
Energy: 0.8775883274162705
Energy: 0.9066317153068708
Energy: 0.9450808151391942
Energy: 1.2360016362210704
Energy: 0.9041486744315406
Energy: 0.881445447865347
Energy: 0.8849714607769764
Energy: 0.9039603941287543
Energy: 0.900811335113092
Energy: 1.1933338663234685
Energy: 0.8932877129813543
Energy: 0.9083039603761038
Energy: 0.9005825205875329
Energy: 0.9024339428650306
Energy: 0.8916277785875012
Energy: 1.344299730136772
Energy: 0.8966459687511263
Energy: 0.902803364775562
Energy: 0.9087209743626199
Energy: 0.896626505468247
Energy: 0.9034916958296972
Energy: 1.2408701563412001
Energy: 0.9032567149829175
Energy: 0.902979777735179
Energy: 0.9016140390671503
Energy: 0.8994704721440576
Energy: 0.8987678463201354
Energy: 1.2312284589573534
Energy: 0.9026525507510109
Energy: 0.9029839744814601
Energy: 0.8933656077711549
Energy: 0.9043534553581041
Energy: 0.9044624720540081
Energy: 1.2330004128383796
Energy: 0.9024500475651375
Energy: 0.9003751928880829
Energy: 0.9012478603917841
Energy: 0.8599428258589072
Energy: 0.9011043394545951
Energy: 1.1592869673564554
Energy: 0.8987379102120875
Energy: 0.8988443844853355
Energy: 0.8530780232129055
Energy: 0.8984754470892693
Energy: 0.9007464751128377
Energy: 1.0034974414259388
Energy: 0.9029058929853292
Energy: 0.9025569585503648
Energy: 0.9033180253091676
Energy: 0.9012726067245659
Energy: 0.9021373876393578
Energy: 1.0004622129915293
Energy: 0.9010632273837502
Energy: 0.8997909916336925
Energy: 0.8946136810715652
Energy: 0.9015830649720452
Energy: 0.9009223402655459
Energy: 0.9930776484762908
Energy: 0.8943941098088256
Energy: 0.893871086930003
Energy: 0.918955122034068
Energy: 0.8945748436246668
Energy: 0.9080593565137657
Energy: 0.9080450530462144
Energy: 0.901920168891982
Energy: 0.8944074120556461
Energy: 0.9080031409258216
Energy: 0.8984711345504365
Energy: 0.9086300207175204
Energy: 0.9032516170786764
Energy: 0.905060777556506
Energy: 0.9005008916500906
Energy: 0.9036401200767925
Energy: 0.9030340953794734
Energy: 0.9034223196175748
Energy: 0.9752786901131502
Energy: 0.9080527820555907
Energy: 0.9069985680511201
Energy: 0.8958097151699994
Energy: 0.9076962384135753
Energy: 0.9042235065120036
Energy: 0.9381792055102081
Energy: 0.9002227187329316
Energy: 0.8991949233252651
Energy: 0.8944017612682787
Energy: 0.8903633197077424
Energy: 0.9065296719982239
Energy: 0.9425456389841167
Energy: 0.9028488224308655
Energy: 0.8836298288561331
Energy: 0.9121273270595961
Energy: 0.9018925313150352
Energy: 0.9091466236363097
Energy: 1.1128184887482198
Energy: 0.8978290873608545
Energy: 0.8979527920830391
Energy: 0.9054571097408282
Energy: 0.8980194232094928
Energy: 0.904986101108015
Energy: 1.1114894025538917
Energy: 0.8984495594559433
Energy: 0.9020314347298741
Energy: 0.9015359099430446
Energy: 0.8586599896954973
Energy: 0.901716386122479
Energy: 1.1142831318209143
Energy: 0.9038844372377415
Energy: 0.9013315563422245
Energy: 0.8898009097081835
Energy: 0.9022782767367122
Energy: 0.9012629797579381
Energy: 1.1919805218117034
Energy: 0.9036973737685491
Energy: 0.9015807522961014
Energy: 0.8977126906998373
Energy: 0.9020422073849995
Energy: 0.9008615315953615
Energy: 1.2797276356403686
Energy: 0.902869556729552
Energy: 0.893862150570199
Energy: 0.8962164952676769
Energy: 0.9033201315079048
Energy: 0.8950498911831017
Energy: 1.0445259023558249
Energy: 0.911459563537485
Energy: 0.9088538064110248
Energy: 0.8990355515562034
Energy: 0.9107837079477233
Energy: 0.8937927365291586
Energy: 1.2884039873057684
Energy: 0.8934489940983302
Energy: 0.8911702424043023
Energy: 0.8987338344427669
Energy: 0.8938867412126611
Energy: 0.9014786830390382

minimum gb energy = 0.8530780232129055 eV
minimum distance =  2.56285530000483 Angstroms
sigma value = 33


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

Energy: 1.5190966408123556
Energy: 0.9117704476626379
Energy: 0.9436279471106277
Energy: 0.9438536496096943
Energy: 0.9116062499470939
Energy: 0.9422516796506335
Energy: 1.145617661923218
Energy: 0.9087948573163269
Energy: 0.908316942273679
Energy: 0.9084526167791116
Energy: 0.9092816812509493
Energy: 0.9162486268296434
Energy: 1.1383057112803066
Energy: 0.9088567519792778
Energy: 0.9092340442645326
Energy: 0.9073827476045705
Energy: 0.9087888421418757
Energy: 0.9169257519718088
Energy: 1.2099209186695208
Energy: 0.9133670459705279
Energy: 0.9135010291156427
Energy: 0.9118449256147148
Energy: 0.9130845692687851
Energy: 0.9123834145254436
Energy: 1.1428554229625076
Energy: 0.9160696075223325
Energy: 0.9176220362485047
Energy: 0.9080313994686776
Energy: 0.9167715319775752
Energy: 0.92601712291253
Energy: 1.2164798186964747
Energy: 0.9147583272456995
Energy: 0.91574773912352
Energy: 0.9111157454295159
Energy: 0.9149856536366814
Energy: 0.915922396102578
Energy: 1.2144788996460214
Energy: 0.9152008484116513
Energy: 0.9136360412081985
Energy: 0.9118206232736795
Energy: 0.9162626530058426
Energy: 0.9042656486911252
Energy: 1.142895323915411
Energy: 0.9054059562457129
Energy: 0.9049340253754453
Energy: 0.9327153435304448
Energy: 0.9032109801571524
Energy: 0.9043263421393251
Energy: 0.9853527138210081
Energy: 0.9036048073804797
Energy: 0.9120961057948872
Energy: 0.9164457741579654
Energy: 0.9032644636692795
Energy: 0.9190104576488863
Energy: 0.9837614049257315
Energy: 0.9084409311148415
Energy: 0.9073613660847277
Energy: 0.9192884146785034
Energy: 0.9077958639807141
Energy: 0.9157830782340557
Energy: 1.017173966372709
Energy: 0.9050188547781939
Energy: 0.893114144740336
Energy: 0.9335493574705548
Energy: 0.8998464535920051
Energy: 0.8929490232318383
Energy: 0.90933677460611
Energy: 0.9063824197942705
Energy: 0.9156285429697921
Energy: 0.9087650307835106
Energy: 0.9039368619463557
Energy: 0.916490343466971
Energy: 0.9094414764461398
Energy: 0.9084727873811309
Energy: 0.9110648634862443
Energy: 0.9092483265909039
Energy: 0.9135216826420024
Energy: 0.9087585104474183
Energy: 0.9153741882082393
Energy: 0.9109899274116321
Energy: 0.9118586501779467
Energy: 0.9154889689421644
Energy: 0.9113384826050113
Energy: 0.9109019574081126
Energy: 0.9832907534836188
Energy: 0.9081390383711201
Energy: 0.9070750957387752
Energy: 0.9186872006180739
Energy: 0.9081569134777103
Energy: 0.91747440358321
Energy: 0.9833318124330006
Energy: 0.9034094498146173
Energy: 0.9158832734348021
Energy: 0.9151796453054135
Energy: 0.9123893509666386
Energy: 0.9175237176394587
Energy: 0.9831195858111395
Energy: 0.9118494642717032
Energy: 0.9122023393732971
Energy: 0.9171522521274598
Energy: 0.9167847185716201
Energy: 0.911787692113507
Energy: 1.0651172412580736
Energy: 0.9194244172455078
Energy: 0.9165924941861733
Energy: 0.9032179840906855
Energy: 0.9147958573735813
Energy: 0.9034597815506556
Energy: 1.0580949821521473
Energy: 0.9153824602179658
Energy: 0.9175134753856198
Energy: 0.9031562829736145
Energy: 0.9151215907824297
Energy: 0.9162629175824646
Energy: 1.1426308808094507
Energy: 0.9161370008357489
Energy: 0.9177885827170867
Energy: 0.9077414958661907
Energy: 0.9171103436928123
Energy: 0.9064244825325282
Energy: 1.3600747148071046
Energy: 0.9184127838757252
Energy: 0.9047541864388784
Energy: 0.8928883472359813
Energy: 0.9175180987989809
Energy: 0.8928347775167438
Energy: 1.0606047998070476
Energy: 0.9083585134671415
Energy: 0.9087998354626912
Energy: 0.9043438465829761
Energy: 0.9085263979896395
Energy: 0.9151628819367326
Energy: 1.1450767585256976
Energy: 0.908907083771478
Energy: 0.9085412365413712
Energy: 0.9089855789976726
Energy: 0.9092054360181491
Energy: 0.9169117250057689
Energy: 1.210927364820404
Energy: 0.9162092622632455
Energy: 0.9183564972401893
Energy: 0.9134054824110406
Energy: 0.915907805813197
Energy: 0.9287379357617035
Energy: 1.1444362284328744
Energy: 0.897759773963722
Energy: 0.9159125079902214
Energy: 0.9081250913818885
Energy: 0.8991490191887519
Energy: 0.9092215848956374
Energy: 1.142155996370079
Energy: 0.9147910108785484
Energy: 0.9168971923969358
Energy: 0.9125452028707318
Energy: 0.915460585881301
Energy: 0.9159671566594078
Energy: 1.2122022136634345
Energy: 0.91591239744567
Energy: 0.9166485767822761
Energy: 0.9140553089205765
Energy: 0.9172405558290733
Energy: 0.9112531850276482
Energy: 1.1447870077873756
Energy: 0.9074640630047535
Energy: 0.9041298386867956
Energy: 0.9176943355552141
Energy: 0.9030207547729278
Energy: 0.9045509750461497
Energy: 0.9860763094525997
Energy: 0.9074056693617212
Energy: 0.9041904034994867
Energy: 0.9164769601365015
Energy: 0.9043145497575394
Energy: 0.916501598481507
Energy: 0.9839102863695556
Energy: 0.9074109577967933
Energy: 0.905689748279076
Energy: 0.9163609314958387
Energy: 0.907629873726705
Energy: 0.9178557812692533
Energy: 0.9865221372571731
Energy: 0.893598360939615
Energy: 0.893279418508095
Energy: 0.9135747658497153
Energy: 0.8938873574881739
Energy: 0.8996986272148059
Energy: 0.9134852612100478
Energy: 0.9063856377587008
Energy: 0.9129149123051705
Energy: 0.9136895161374918
Energy: 0.9055289965721459
Energy: 0.9154768895277413
Energy: 0.9111826997827801
Energy: 0.9083897584187257
Energy: 0.9072643281866621
Energy: 0.9120111622029261
Energy: 0.9080275084981677
Energy: 0.9084671759310736
Energy: 0.912085944810694
Energy: 0.9150192195356771
Energy: 0.9165719905669141
Energy: 0.9122365570170287
Energy: 0.9115898736260448
Energy: 0.9335705199721743
Energy: 0.9831593144573251
Energy: 0.9088912886054925
Energy: 0.9098814442332908
Energy: 0.8982288492692079
Energy: 0.9101881692882873
Energy: 0.9153346596380918
Energy: 0.9818972045441976
Energy: 0.9120599551353707
Energy: 0.9174929411982807
Energy: 0.916178710293326
Energy: 0.9122457164312484
Energy: 0.9185095466313059
Energy: 0.9835104982853385
Energy: 0.9128421476128641
Energy: 0.9126636622787131
Energy: 0.9155099458291448
Energy: 0.9135978731950084
Energy: 0.9160684019207468
Energy: 1.058655535378878
Energy: 0.9192224858226307
Energy: 0.9040613738373807
Energy: 0.9033467106555777
Energy: 0.9172080979028775
Energy: 0.9122077863506893
Energy: 1.0634944430051585
Energy: 0.9165691310984048
Energy: 0.9177427158201652
Energy: 0.9033051334720016
Energy: 0.9172790340888328
Energy: 0.9037648786577047
Energy: 1.1427418695326157
Energy: 0.9139757390213711
Energy: 0.9155499240342266
Energy: 0.9075521412753321
Energy: 0.9148116961657382
Energy: 0.9076540055653517
Energy: 1.3563311247482162
Energy: 0.9209474424428189
Energy: 0.9002842449335777
Energy: 0.893467052188786
Energy: 0.9130255370673779
Energy: 0.899368322753232

minimum gb energy = 0.8928347775167438 eV
minimum distance =  2.59242673207613 Angstroms
sigma value = 51


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

Energy: 1.4396857438594313
Energy: 0.9160670322122071
Energy: 0.9067870145164865
Energy: 0.9041510958313967
Energy: 0.9286783930593892
Energy: 0.9773999682430118
Energy: 1.0830531801534202
Energy: 0.9301588897210109
Energy: 0.9305062577622905
Energy: 0.9040756318008831
Energy: 0.9300025576183237
Energy: 0.9445834055631731
Energy: 1.161955362159494
Energy: 0.9281228823519502
Energy: 0.9288360126218176
Energy: 0.9357869525802072
Energy: 0.9281515143329793
Energy: 0.9346273502831342
Energy: 1.2559995689748888
Energy: 0.9122441861048954
Energy: 0.912044446437541
Energy: 0.9293430363202263
Energy: 0.9126396196086515
Energy: 0.9213560765429104
Energy: 1.0826803520189596
Energy: 0.9574775276639126
Energy: 0.9378712591556142
Energy: 0.9054690451678958
Energy: 0.9566315768000873
Energy: 0.9377760821569119
Energy: 1.0837682378633298
Energy: 0.9449779601289933
Energy: 0.9438333912477725
Energy: 0.9381744649209258
Energy: 0.9556388244641171
Energy: 0.9428837377983352
Energy: 1.082027178778623
Energy: 0.9051009537825407
Energy: 0.9467133469646265
Energy: 0.937523870145978
Energy: 0.9033849599249854
Energy: 0.9371907319454922
Energy: 1.0704828693566948
Energy: 0.9161547128198292
Energy: 0.9158456504166648
Energy: 0.9227146260255562
Energy: 0.9162216310902455
Energy: 0.9163988288413735
Energy: 0.9278251106862898
Energy: 0.9048502313288019
Energy: 0.9054226806081034
Energy: 0.9278911759158017
Energy: 0.9282231512012724
Energy: 0.9342635159720571
Energy: 0.9293348390892442
Energy: 0.9045163500053351
Energy: 0.9455607171861657
Energy: 0.9294738419784603
Energy: 0.9039909634353289
Energy: 0.9302736176648543
Energy: 0.9283885057851087
Energy: 0.9121183140774631
Energy: 0.9116402103486647
Energy: 0.92881766657687
Energy: 0.9103172413264453
Energy: 0.9167476801156339
Energy: 0.9670710819025032
Energy: 0.9040127049360069
Energy: 0.9313211019395026
Energy: 0.9298149854690915
Energy: 0.9026292779041961
Energy: 0.9446778263013206
Energy: 0.9663889199611274
Energy: 0.9102758699497386
Energy: 0.9339769101911982
Energy: 0.9339729217356065
Energy: 0.9528902535536123
Energy: 0.9341504962785492
Energy: 0.9681503242575425
Energy: 0.9321240634811672
Energy: 0.9256962556031942
Energy: 0.9354941569741756
Energy: 0.9324751336389226
Energy: 0.9150484939100355
Energy: 1.1552347357478947
Energy: 0.9125587681507155
Energy: 0.912643269799767
Energy: 0.947556149556986
Energy: 0.936856037644279
Energy: 0.9120547364125404
Energy: 1.1613998861668304
Energy: 0.9358281435454259
Energy: 0.9363637810984728
Energy: 0.9374283668263503
Energy: 0.935687799806873
Energy: 0.9290095367111956
Energy: 1.1639534540299756
Energy: 0.9354465052703899
Energy: 0.9354775055323801
Energy: 0.9032020733397192
Energy: 0.9362323601565413
Energy: 0.9358523808300193
Energy: 1.3564571216177337
Energy: 0.916276468576404
Energy: 0.9122652820819732
Energy: 0.9154667569015854
Energy: 0.9292694817382549
Energy: 0.9139117380021157

minimum gb energy = 0.9026292779041961 eV
minimum distance =  2.56428801250869 Angstroms
sigma value = 19


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

Energy: 1.2062280929305729
Energy: 0.8683967862584497
Energy: 0.8833982501868058
Energy: 0.9542847552935108
Energy: 0.868502632168144
Energy: 0.9536507614933715
Energy: 1.0364901715172081
Energy: 0.8655666953231523
Energy: 0.8655312196037008
Energy: 0.8517003755667287
Energy: 0.8655637722122653
Energy: 0.8654735383340274
Energy: 1.0349148531534276
Energy: 0.8660682040037093
Energy: 0.865647578207932
Energy: 0.8970532021470712
Energy: 0.8656642824702571
Energy: 0.866121053642259
Energy: 1.0280115809427317
Energy: 0.8652711952070747
Energy: 0.8659495699590993
Energy: 0.8904993020522891
Energy: 0.9597692299585455
Energy: 0.8658260377764544
Energy: 0.9598025969013155
Energy: 0.8653555669499524
Energy: 0.8663039522305116
Energy: 0.8515728439517903
Energy: 0.8650893408538123
Energy: 0.8957941938540064
Energy: 1.0380310748256134
Energy: 0.8432373690291649
Energy: 0.8944899224286298
Energy: 0.8971445368229627
Energy: 0.843141446693386
Energy: 0.8943179566724466
Energy: 1.0367847006845476
Energy: 0.8959934071415064
Energy: 0.8946613999972972
Energy: 0.8957295008561409
Energy: 0.8520059537724433
Energy: 0.8950094479118655
Energy: 0.9613145840836307
Energy: 0.8433828792280593
Energy: 0.8439992253779294
Energy: 0.9619210945124922
Energy: 0.843776035359313
Energy: 0.8442233642708981
Energy: 0.8656944744629966
Energy: 0.8438274411990467
Energy: 0.8436177537118412
Energy: 0.8655378707131883
Energy: 0.8434299221411542
Energy: 0.8431480731778345
Energy: 0.8655598597531251
Energy: 0.8656279648384781
Energy: 0.8653743780985208
Energy: 0.8654760032363857
Energy: 0.8966355290799961
Energy: 0.8655672555381339
Energy: 0.8652659433757797
Energy: 0.9174113795681437
Energy: 0.9169853165115912
Energy: 0.8651305726762742
Energy: 0.9164620475869142
Energy: 0.8649503872381633
Energy: 0.9585196597094877
Energy: 0.8961102776876664
Energy: 0.8949397650087024
Energy: 0.8653892599365572
Energy: 0.9079684584148352
Energy: 0.865475471750292
Energy: 0.8423863815855108
Energy: 0.8957058803194791
Energy: 0.8958263272475558
Energy: 0.8427079328082113
Energy: 0.8952317578717542
Energy: 0.8960924346611208
Energy: 0.9573110774171283
Energy: 0.896711436260884
Energy: 0.8964062882398734
Energy: 0.8656766992322176
Energy: 0.8955628425637776
Energy: 0.8961712510922768
Energy: 1.2134455578201253
Energy: 0.8653171943686652
Energy: 0.8655374759306611
Energy: 0.8430742549278726
Energy: 0.8651942256739296
Energy: 0.8432078853179419
Energy: 1.2146292753686738
Energy: 0.86683071439014
Energy: 0.8437604423625903
Energy: 0.8433531849442684
Energy: 0.8668041293981105
Energy: 0.8440619242018156
Energy: 0.9618854429935227
Energy: 0.8653638608146802
Energy: 0.8654773916813567
Energy: 0.8512607110568128
Energy: 0.8652419832326642
Energy: 0.8656791403587353
Energy: 1.0242368042823562
Energy: 0.8658479214875523
Energy: 0.8662124676506031
Energy: 0.8918219995541462
Energy: 0.8655349985762116
Energy: 0.8665701590091834
Energy: 1.0242167999734044
Energy: 0.866088260442434
Energy: 0.8660255680524451
Energy: 0.8978116913508376
Energy: 0.8657745713914329
Energy: 0.8655500150373733
Energy: 1.0373340121948602
Energy: 0.8432047067189854
Energy: 0.8951460000852806
Energy: 0.8657490703853935
Energy: 0.8430370633987222
Energy: 0.8944079470969871
Energy: 1.0294532563925156
Energy: 0.8662034417707951
Energy: 0.8961684835938787
Energy: 0.8954657727400702
Energy: 0.8651857415021008
Energy: 0.8965019387471278
Energy: 1.035403103564165
Energy: 0.851996255202789
Energy: 0.8957785667851734
Energy: 0.865212306776804
Energy: 0.852095245872966
Energy: 0.8954941352760984
Energy: 0.9593706372246696
Energy: 0.8436775331522278
Energy: 0.8428472282992059
Energy: 0.9594741992015613
Energy: 0.8433433486175531
Energy: 0.8435393308263404
Energy: 0.8657206127373391
Energy: 0.8955552122607199
Energy: 0.866215159589271
Energy: 0.8657765113785955
Energy: 0.8825022541228803
Energy: 0.8657785825284774
Energy: 0.8654647995212891
Energy: 0.8951628590365351
Energy: 0.8660408416572634
Energy: 0.8662755688941265
Energy: 0.9087378266204392
Energy: 0.8660400400430806
Energy: 0.9610297697617229
Energy: 0.8913007213190665
Energy: 0.8913005976355612
Energy: 0.961269416019053
Energy: 0.89095082593949
Energy: 0.8658466983043992
Energy: 1.0358916128953706
Energy: 0.8958689788393317
Energy: 0.8954513637225989
Energy: 0.8653010746865372
Energy: 0.8518236515002735
Energy: 0.8956684092849654
Energy: 0.8428861833965575
Energy: 0.8955723252023523
Energy: 0.8949944734426352
Energy: 0.8429561343106977
Energy: 0.8959607513660865
Energy: 0.8939058381631279
Energy: 0.9593303579514315
Energy: 0.8954591877794493
Energy: 0.895454415768525
Energy: 0.8516085283589777
Energy: 0.8958661965572415
Energy: 0.8943097836817897
Energy: 1.2185631919170488
Energy: 0.866489563600575
Energy: 0.8438862119451956
Energy: 0.843697951410368
Energy: 0.8658442173341035
Energy: 0.8442821667198668

minimum gb energy = 0.8423863815855108 eV
minimum distance =  2.59750425018544 Angstroms
sigma value = 27


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

Energy: 1.0508440404085222
Energy: 0.8460234000889341
Energy: 1.1176337758860106
Energy: 0.8904200469152749
Energy: 0.8771761395901947
Energy: 1.118833962287272
Energy: 1.0192061496033933
Energy: 0.8768504441383376
Energy: 0.8766080071035921
Energy: 0.8400956429431727
Energy: 0.8768008562696927
Energy: 0.7938427554672646
Energy: 0.9430702144015847
Energy: 0.8753256101261372
Energy: 0.8753312655999269
Energy: 0.8437979313510017
Energy: 0.8752438110764363
Energy: 0.8268009696967534
Energy: 0.9430306969502386
Energy: 0.8427740370972259
Energy: 0.8421585365289136
Energy: 0.7942074561400607
Energy: 0.9154999564796606
Energy: 0.7946881609259042
Energy: 1.0192136397536198
Energy: 0.7904955145992444
Energy: 0.7941122157845737
Energy: 0.8438194300267972
Energy: 0.7910337693440789
Energy: 0.794161191549962
Energy: 0.8745668425304969
Energy: 0.8237133332709025
Energy: 0.7568279255151583
Energy: 0.8747973845574917
Energy: 0.8236414154167323
Energy: 0.7912457975610874
Energy: 0.8773866264329987
Energy: 0.8251003301288945
Energy: 0.8257930018409502
Energy: 0.8761674308903485
Energy: 0.8314607045383334
Energy: 0.8261857693160416
Energy: 0.8764514025551948
Energy: 0.8203625725729835
Energy: 0.7921260465940394
Energy: 0.8766566691252761
Energy: 0.8200274430880763
Energy: 0.8260151915308498
Energy: 0.9423834114789106
Energy: 0.7918637526945829
Energy: 0.7943582231777606
Energy: 0.8765072160173446
Energy: 0.7929616209514054
Energy: 0.8247260763590126
Energy: 0.9437737802914586
Energy: 0.8251158111300455
Energy: 0.8261703114117311
Energy: 0.8279939156717604
Energy: 0.8562209300192906
Energy: 0.8257797350877758
Energy: 0.9429306590762413
Energy: 0.869989572221636
Energy: 0.8709719790771425
Energy: 0.8774147523349688
Energy: 0.8721008231980479
Energy: 0.8261721154221718
Energy: 0.9413443706001022
Energy: 0.8261706653858585
Energy: 0.8249165019407954
Energy: 0.8656508454668956
Energy: 0.8765344323025233
Energy: 0.7943475239041733

minimum gb energy = 0.7568279255151583 eV
minimum distance =  2.61558019925114 Angstroms
sigma value = 9


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

Energy: 1.6687817610561189
Energy: 0.7782544306739477
Energy: 0.8338296957057313
Energy: 0.8343004849734401
Energy: 0.8336412084267589
Energy: 0.7603619908325709
Energy: 0.8092839951317975
Energy: 0.7736000474106995
Energy: 0.7618072486112627
Energy: 0.7556020044909257
Energy: 0.7734888065640407
Energy: 0.7497212273735439
Energy: 0.8098358426499884
Energy: 0.7736104282570453
Energy: 0.7701345197597562
Energy: 0.7767265463206585
Energy: 0.7746215799411703
Energy: 0.7724703724077938
Energy: 0.8131144468660663
Energy: 0.7426713346319087
Energy: 0.7298408811635746
Energy: 0.7688121750500341
Energy: 0.7732763622552299
Energy: 0.7290170441488772
Energy: 0.854898994410573
Energy: 0.7564198356805979
Energy: 0.7671679880282359
Energy: 0.7929312860220648
Energy: 0.7549577219585777
Energy: 0.7504770853997784
Energy: 0.79571640507641
Energy: 0.7337115650834051
Energy: 0.7630086849859257
Energy: 0.7957837016134227
Energy: 0.7558265950075858
Energy: 0.7593864162687793
Energy: 0.7929685259364088
Energy: 0.7300168444478131
Energy: 0.7290283348455424
Energy: 0.7941439578144175
Energy: 0.7537674572637502
Energy: 0.7960608180273221
Energy: 0.7817975145548576
Energy: 0.7610550874062444
Energy: 0.7299308580156649
Energy: 0.7823383036440282
Energy: 0.7634425156645491
Energy: 0.7392448739210498
Energy: 0.7914682918866719
Energy: 0.7863318574778655
Energy: 0.7924642015723115
Energy: 0.7936270011767009
Energy: 0.7722807652177255
Energy: 0.7712762947775701
Energy: 0.7484884005294212
Energy: 0.7613846597668402
Energy: 0.751312605666817
Energy: 0.7487601760804117
Energy: 0.7813708434884946
Energy: 0.7320892874015792
Energy: 0.7412751502481947
Energy: 0.792900007020167
Energy: 0.7964769167269908
Energy: 0.7506063173544001
Energy: 0.7940180646955298
Energy: 0.7891221844860108
Energy: 0.79102361145954
Energy: 0.7931461650021403
Energy: 0.792685680542224
Energy: 0.7424383480063893
Energy: 0.7932378825476286
Energy: 0.7658961652447092
Energy: 1.4621463646050317
Energy: 0.7573291772629888
Energy: 0.7580087973634205
Energy: 0.7509288640759797
Energy: 0.7578726140616252
Energy: 0.7416310923529238
Energy: 0.8677162082016593
Energy: 0.7764603782228128
Energy: 0.7491135919749463
Energy: 0.743053955478377
Energy: 0.7929835640488292
Energy: 0.7643311260121561
Energy: 0.7750792862206626
Energy: 0.7703923593853991
Energy: 0.7720986623768894
Energy: 0.7762435932063438
Energy: 0.7732169514627086
Energy: 0.7686738383439109
Energy: 0.7732747385816052
Energy: 0.7507822059040121
Energy: 0.7530094135909107
Energy: 0.7744190258740318
Energy: 0.7851877573498836
Energy: 0.7731076859125988
Energy: 0.7732461565252586
Energy: 0.7286519673654676
Energy: 0.7291332871779154
Energy: 0.773122091187995
Energy: 0.7413532162004506
Energy: 0.7493382404780187
Energy: 0.8112003216625515
Energy: 0.743602921605807
Energy: 0.747639384086939
Energy: 0.7729224354702543
Energy: 0.7478834460364688
Energy: 0.7739709046624097
Energy: 0.8104226156460473
Energy: 0.7514741540372135
Energy: 0.7515472213785392
Energy: 0.7753254544815977
Energy: 0.7597591671928563
Energy: 0.7444868642378452
Energy: 0.8106210640653975
Energy: 0.763183007642558
Energy: 0.7698830947120838
Energy: 0.7632694411745835
Energy: 0.7626072047493091
Energy: 0.743130368091941
Energy: 0.8109123519058313
Energy: 0.7750857313406905
Energy: 0.7442551644879708
Energy: 0.7769908520587465
Energy: 0.7760780003373878
Energy: 0.7498585015512015
Energy: 0.8591057918955249
Energy: 0.7625899561918876
Energy: 0.7984252450740859
Energy: 0.7564948124723081
Energy: 0.7627879486842177
Energy: 0.7401927126247595
Energy: 0.8574257646484161
Energy: 0.7622703716225778
Energy: 0.7651423256225385
Energy: 0.7556757909167987
Energy: 0.773413413916505
Energy: 0.7211029244061445
Energy: 0.810005267585158
Energy: 0.7735926607094482
Energy: 0.7719808323982972
Energy: 0.78659134279083
Energy: 0.775104594130066
Energy: 0.7466917072835354
Energy: 1.066584878760792
Energy: 0.7420452538138237
Energy: 0.7787540093343147
Energy: 0.7464377495410786
Energy: 0.7732385258318633
Energy: 0.7293665824012723
Energy: 0.8102505446815108
Energy: 0.7299807092151647
Energy: 0.7294809496661462
Energy: 0.7940440754410965
Energy: 0.7424607757451274
Energy: 0.7642313430678739
Energy: 0.747604595145304
Energy: 0.733205349429608
Energy: 0.7456198243843705
Energy: 0.7477812699434254
Energy: 0.7454020576273157
Energy: 0.7647664871161035
Energy: 0.7929854273121075
Energy: 0.7294915057708405
Energy: 0.7299507804452053
Energy: 0.7930884568891136
Energy: 0.7428556796724374
Energy: 0.7969723233951052
Energy: 0.7946689891292409
Energy: 0.7492443413389337
Energy: 0.7952394155716788
Energy: 0.7948381629406874
Energy: 0.7598606444788296
Energy: 0.797137019668279
Energy: 0.7627339079080122
Energy: 0.7647363041086152
Energy: 0.7328793526946816
Energy: 0.7900822244914724
Energy: 0.7654117525359839
Energy: 0.7318130547097842
Energy: 0.7415526913819876
Energy: 0.7622564330730507
Energy: 0.7303427628538964
Energy: 0.7778008707078139
Energy: 0.7736526896784592
Energy: 0.791840484387535
Energy: 0.7464777010658767
Energy: 0.7830948301344423
Energy: 0.7494837854817977
Energy: 0.7498839597492921
Energy: 0.7831169899559316
Energy: 0.7321638597461216
Energy: 0.8023290330104998
Energy: 0.792971171283137
Energy: 0.7968447603763932
Energy: 0.7841868655217508
Energy: 0.7951338855686636
Energy: 0.7297510761995276
Energy: 0.8037017402301478
Energy: 0.798152046610729
Energy: 0.7994686974890786
Energy: 0.7605062139510432
Energy: 0.7974745489255741
Energy: 0.7281687892276482
Energy: 0.8006876047783332
Energy: 0.7791061679915818
Energy: 0.7451675109960656
Energy: 0.77372505915501
Energy: 0.793236669053035
Energy: 0.7654685947191995
Energy: 0.8050779279236964
Energy: 0.7688600614458134
Energy: 0.7291316433360908
Energy: 0.7875167695058221
Energy: 0.7709787961710935
Energy: 0.7300759743741863
Energy: 0.7737721286023177
Energy: 0.7752991391293091
Energy: 0.7590259235596749
Energy: 0.7744286607282629
Energy: 0.7749182870798592
Energy: 0.7724728856044855
Energy: 0.7732801890301639
Energy: 0.7523318286408757
Energy: 0.7536673043219289
Energy: 0.7733354845468778
Energy: 0.7533603799485482
Energy: 0.7598650903110702
Energy: 0.8249183944839554
Energy: 0.757883341103139
Energy: 0.7473967098880127
Energy: 0.824990247059764
Energy: 0.7575226371627473
Energy: 0.7581937373429477
Energy: 0.8108335935309378
Energy: 0.7497168758578852
Energy: 0.7506629598110295
Energy: 0.7736204639846033
Energy: 0.755530734538876
Energy: 0.7524104643341247
Energy: 0.8097719940474754
Energy: 0.7521087824972701
Energy: 0.753359485941615
Energy: 0.7605814096311188
Energy: 0.7624514541161755
Energy: 0.7601882750162181
Energy: 0.8106369792699593
Energy: 0.7676864795300224
Energy: 0.7567308600196474
Energy: 0.7733047016807877
Energy: 0.7642977386756813
Energy: 0.7442848495859005
Energy: 0.8573816537957044
Energy: 0.7624268536799872
Energy: 0.7560033996901026
Energy: 0.7557988962690473
Energy: 0.7735872441129541
Energy: 0.7210558125470345

minimum gb energy = 0.7210558125470345 eV
minimum distance =  2.56959264508761 Angstroms
sigma value = 57


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

Energy: 0.3916399970555269
Energy: 0.4362815354387933
Energy: 0.39288788815831893
Energy: 0.3925938562959304
Energy: 0.43585224993864646
Energy: 0.4121707975923885
Energy: 0.47175910321397524
Energy: 0.413464214064881
Energy: 0.4234540466989434
Energy: 0.432415249025768
Energy: 0.4331318412386472
Energy: 0.41998723797349935
Energy: 0.4746178621430857
Energy: 0.4368170303491636
Energy: 0.42120748753084464
Energy: 0.43445059250005125
Energy: 0.4351791089866164
Energy: 0.4254790038176686
Energy: 0.47458790795713235
Energy: 0.4372051590075757
Energy: 0.4221347792307177
Energy: 0.436871628308779
Energy: 0.4764022587220044
Energy: 0.42660919576616196
Energy: 0.4713559072684371
Energy: 0.3965860602909505
Energy: 0.39385810017374595
Energy: 0.4732697519070164
Energy: 0.3931292292674202
Energy: 0.4228932009447588
Energy: 0.4343450175451589
Energy: 0.3937492534387556
Energy: 0.39698138998831545
Energy: 0.41174045582148067
Energy: 0.3979471429001492
Energy: 0.41676058558155676
Energy: 0.43019494772853206
Energy: 0.41207800808627476
Energy: 0.42312108837470186
Energy: 0.43095818741453656
Energy: 0.410388441464173
Energy: 0.4221626555556053
Energy: 0.4341682206126791
Energy: 0.41749426346807034
Energy: 0.4294779398171248
Energy: 0.4346210075955925
Energy: 0.4124518923891064
Energy: 0.42400519114744234
Energy: 0.4713719028095572
Energy: 0.4244649092233356
Energy: 0.4260001742578175
Energy: 0.4778512072312548
Energy: 0.4340096113659654
Energy: 0.4244041584598749
Energy: 0.39859343281079795
Energy: 0.4226623599400509
Energy: 0.3938668852080915
Energy: 0.39259197090555104
Energy: 0.43396334700020567
Energy: 0.4159044564265239
Energy: 0.39230962643279804
Energy: 0.4123780928762259
Energy: 0.4201721470247033
Energy: 0.3924833928308087
Energy: 0.41214368347306135
Energy: 0.39370214974934714
Energy: 0.47239866666692254
Energy: 0.43711949847583564
Energy: 0.42095202638254203
Energy: 0.4328478755361249
Energy: 0.43341563723782334
Energy: 0.41912130020302213
Energy: 0.47470419564789934
Energy: 0.4764204807027926
Energy: 0.42772769167285263
Energy: 0.41801444058694964
Energy: 0.4747086327152436
Energy: 0.4385042615810205
Energy: 0.4720067880309372
Energy: 0.4366704536220063
Energy: 0.4230871769349817
Energy: 0.43603124346909994
Energy: 0.4334701357728983
Energy: 0.42070474368600264
Energy: 0.47436869810573223
Energy: 0.397107934434907
Energy: 0.4097826159458087
Energy: 0.43515223989942975
Energy: 0.39444813442032384
Energy: 0.4136670072100699
Energy: 0.4322361600269204
Energy: 0.4146865725221194
Energy: 0.41976252571238554
Energy: 0.4327816317988341
Energy: 0.3931550176065851
Energy: 0.4223723196583894
Energy: 0.4343603869360063
Energy: 0.4216612072490982
Energy: 0.4236297985854767
Energy: 0.43483423071440946
Energy: 0.4370726803072881
Energy: 0.4239590263626833
Energy: 0.4756649572537915
Energy: 0.4166176178277367
Energy: 0.433884236466904
Energy: 0.476547286139125
Energy: 0.4124276766788309
Energy: 0.42391201166190734
Energy: 0.39241905555525364
Energy: 0.41262835161951567
Energy: 0.42394358118850484
Energy: 0.39263445364921196
Energy: 0.4368850094520903
Energy: 0.42656754912025996

minimum gb energy = 0.3916399970555269 eV
minimum distance =  2.64058369636962 Angstroms
sigma value = 11


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

Energy: 1.3584754971452713
Energy: 0.6374757028348359
Energy: 0.7373517375711324
Energy: 0.6608024625435148
Energy: 0.6450093458916306
Energy: 0.7410840087017911
Energy: 0.6358269931423989
Energy: 0.6315093204154302
Energy: 0.635760427882908
Energy: 0.6452979614958269
Energy: 0.6392337666487407
Energy: 0.6304230398707056
Energy: 0.6368841356597376
Energy: 0.6394675324785005
Energy: 0.6398055023113666
Energy: 0.6357422025551495
Energy: 0.6399496648951304
Energy: 0.6306623685473454
Energy: 0.6367927478720143
Energy: 0.6504884057884812
Energy: 0.6477548448083646
Energy: 0.6358634322837753
Energy: 0.6338900639347719
Energy: 0.6365667691894743
Energy: 0.6364328584801621
Energy: 0.6846706704539006
Energy: 0.6873218494263673
Energy: 0.6358356085481321
Energy: 0.6820664004787336
Energy: 0.6382928789359581
Energy: 0.6902924989233443
Energy: 0.686613028712839
Energy: 0.6729149826884828
Energy: 0.6553295792993898
Energy: 0.6487315120653865
Energy: 0.6617719786504246
Energy: 0.6882926926652465
Energy: 0.634251576660654
Energy: 0.6380424439002051
Energy: 0.6349968180314363
Energy: 0.6452699130098232
Energy: 0.630721891825317
Energy: 0.6673226211075346
Energy: 0.6489082854069528
Energy: 0.649473878502163
Energy: 0.65023594728146
Energy: 0.6476384568514504
Energy: 0.6451615963824981
Energy: 0.6905276344926417
Energy: 0.6336708081102305
Energy: 0.6298133173027375
Energy: 0.6506624803940971
Energy: 0.6341654632427615
Energy: 0.6306064343995413
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Energy: 0.6627267858611293
Energy: 0.6631732275928405
Energy: 0.753307373602278
Energy: 0.6671198475435701
Energy: 0.6727571314130225
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Energy: 0.6652546945109714
Energy: 0.6620933952793293
Energy: 0.6478076357572954
Energy: 0.686256962682607
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Energy: 0.7812134074873273
Energy: 0.6202791541750994
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Energy: 0.7421490896289843
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Energy: 0.6477724541876964
Energy: 0.7379916541393814
Energy: 0.6143475905979381
Energy: 0.6138939561077377
Energy: 0.6490975330340895
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Energy: 0.6497292968086193
Energy: 0.7389562191801837
Energy: 0.7199975441643605
Energy: 0.7327820503099344
Energy: 0.6509344517135244
Energy: 0.6771965090133166
Energy: 0.7327883420238297
Energy: 0.7392204212611495
Energy: 0.6550860517830884
Energy: 0.668620907201099
Energy: 0.6809347728282794
Energy: 0.6575027939183075
Energy: 0.6765476764318918
Energy: 0.7282548392625774
Energy: 0.7199564363958199
Energy: 0.7343388083759366
Energy: 0.6777012562740617
Energy: 0.7070795297305159
Energy: 0.7339344217185243
Energy: 1.0016838212968033
Energy: 0.682522235475383
Energy: 0.6486693717637435
Energy: 0.8349878716254823
Energy: 0.6923960483586031
Energy: 0.6497456805866045
Energy: 0.7353089754171412
Energy: 0.6786583040911296
Energy: 0.6651846088875015
Energy: 0.6752631104774641
Energy: 0.6765063717363443
Energy: 0.6865224111654923
Energy: 0.7290570700788923
Energy: 0.6472052326448355
Energy: 0.6445156664295463
Energy: 0.6342670290747353
Energy: 0.6476070010877576
Energy: 0.6306299007046928
Energy: 0.8334999494725672
Energy: 0.7390563326847732
Energy: 0.6534880934697112
Energy: 0.7443164052503723
Energy: 0.7329498879825781
Energy: 0.6522427867549765
Energy: 0.7278793546440077
Energy: 0.6868486684522812
Energy: 0.6834130429512758
Energy: 0.6642847287992313
Energy: 0.7182056744093549
Energy: 0.6782154355329504
Energy: 0.8859802782244593
Energy: 0.6513959820421149
Energy: 0.6467038946261843
Energy: 0.90715076228291
Energy: 0.6522833912171893
Energy: 0.7064750321360889
Energy: 0.6356422577759543
Energy: 0.6892071065323149
Energy: 0.6877222439480604
Energy: 0.6362421962869853
Energy: 0.6492451385329153
Energy: 0.6897687854859921
Energy: 0.6422327015788861
Energy: 0.6362426205395871
Energy: 0.6305298094998876
Energy: 0.642174703842247
Energy: 0.6352931408164451
Energy: 0.6377434014366531
Energy: 0.7292283149145883
Energy: 0.6343998458708876
Energy: 0.6384574955639961
Energy: 0.7192356163032145
Energy: 0.6351122035919476
Energy: 0.6492067706386702
Energy: 0.7278226001955906
Energy: 0.6340657632173061
Energy: 0.637211094058566
Energy: 0.643871757855209
Energy: 0.6542285727638572
Energy: 0.6419652236136376

minimum gb energy = 0.6138939561077377 eV
minimum distance =  2.59526796449221 Angstroms
sigma value = 41


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

Energy: 1.2942469827997813
Energy: 0.7636361700596854
Energy: 0.713302056810396
Energy: 0.782826594791663
Energy: 0.7624596730779936
Energy: 0.971847551963261
Energy: 0.6891337158089891
Energy: 0.6794614120293027
Energy: 0.6824886522119966
Energy: 0.6899280875444802
Energy: 0.6878207925177682
Energy: 0.6797718402718445
Energy: 0.6914641702041195
Energy: 0.6811821683634219
Energy: 0.6803395223445666
Energy: 0.687918271629279
Energy: 0.6855908633180375
Energy: 0.6802230027471141
Energy: 0.6915189753252671
Energy: 0.685374870502467
Energy: 0.6847535883473588
Energy: 0.688226741888223
Energy: 0.6843156823246628
Energy: 0.6815357003309096
Energy: 0.689383903353852
Energy: 0.7023981797558629
Energy: 0.6784936877221255
Energy: 0.68883914883399
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Energy: 0.6806292046208268
Energy: 0.7728474019503014
Energy: 0.6814546481302288
Energy: 0.6844971972304925
Energy: 0.7105070728165841
Energy: 0.6809072384043396
Energy: 0.6999866350946556
Energy: 0.7737405754690736
Energy: 0.6849538705866424
Energy: 0.6843194409515039
Energy: 0.6880503572139214
Energy: 0.7018102899150566
Energy: 0.6863355294552883
Energy: 0.7227416846711929
Energy: 0.7192770811334718
Energy: 0.7138015684277307
Energy: 0.7008957979502473
Energy: 0.7186914821607743
Energy: 0.6692608030586816
Energy: 0.773378336486311
Energy: 0.6858583000829396
Energy: 0.6832304135442805
Energy: 0.6817950552187743
Energy: 0.688979431107736
Energy: 0.6823239052764708
Energy: 0.9804120220969781
Energy: 0.7076840095679063
Energy: 0.6994601143812239
Energy: 0.8261902432397646
Energy: 0.6897796539801869
Energy: 0.6829165933483193
Energy: 0.9804419551314029
Energy: 0.6798177563054076
Energy: 0.6797573270144336
Energy: 0.6923635716624194
Energy: 0.7071580923905815
Energy: 0.6931071383280001
Energy: 0.8069580031944054
Energy: 0.6570509257570517
Energy: 0.6561620532875868
Energy: 0.7092642862847526
Energy: 0.6563801659957134
Energy: 0.6834849185579014
Energy: 0.6886100069256919
Energy: 0.6556201257831241
Energy: 0.6562575433897201
Energy: 0.7094709800737864
Energy: 0.6563949636641333
Energy: 0.6581507803389545
Energy: 0.6885813681765507
Energy: 0.6809488931220498
Energy: 0.6850194398129685
Energy: 0.68887127973816
Energy: 0.7063721794966485
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Energy: 0.7205732505439519
Energy: 0.6964098673248523
Energy: 0.7209731899437068
Energy: 0.7204478034817665
Energy: 0.6903265532236512
Energy: 0.720005450413443
Energy: 0.6889434547746871
Energy: 0.6972565873719043
Energy: 0.6830685351166268
Energy: 0.7084093547211834
Energy: 0.6865846366331558
Energy: 0.6826662887957965
Energy: 1.2382942853831327
Energy: 0.68678029574284
Energy: 0.6946555538858473
Energy: 0.7224748478814884
Energy: 0.7109066101567315
Energy: 0.7039520478953755
Energy: 0.7207507434407632
Energy: 0.6820076744578074
Energy: 0.6865289290260771
Energy: 0.7220002113827204
Energy: 0.6885538345673458
Energy: 0.6570487285094074
Energy: 0.6906724568181419
Energy: 0.6822739873261638
Energy: 0.6807783169993413
Energy: 0.6880347743948656
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Energy: 0.6861064279303509
Energy: 0.6918405094563356
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Energy: 0.6805957923254105
Energy: 0.6866050479001491
Energy: 0.6861616454266376
Energy: 0.6803165147225825
Energy: 0.6887976792198673
Energy: 0.6856184198948774
Energy: 0.6792266662854497
Energy: 0.6882394147226701
Energy: 0.69198233698928
Energy: 0.6795860226609494
Energy: 0.7843991760612563
Energy: 0.7129295215280913
Energy: 0.7421227844730213
Energy: 0.8073599973497131
Energy: 0.7127932483602746
Energy: 0.7431769972075897
Energy: 0.7732548929817475
Energy: 0.6844438147377104
Energy: 0.6803736298930583
Energy: 0.6881081006937594
Energy: 0.6916555487609936
Energy: 0.681551526854127
Energy: 0.7225414954586655
Energy: 0.7217659053342949
Energy: 0.6953199561334494
Energy: 0.701579919141272
Energy: 0.7217856460654163
Energy: 0.6693531913076457
Energy: 0.7740279536354783
Energy: 0.6859909948636993
Energy: 0.6841243784807548
Energy: 0.7078362816553365
Energy: 0.6909269683190967
Energy: 0.6819933425958105
Energy: 0.9803093800349779
Energy: 0.7003208394694075
Energy: 0.6795408623700319
Energy: 0.6926946835643389
Energy: 0.6891244675651604
Energy: 0.6790862901588393
Energy: 0.9799932373707183
Energy: 0.6880350935409802
Energy: 0.6824611332160564
Energy: 0.8418109657805646
Energy: 0.6890730631914579
Energy: 0.68208119863426
Energy: 0.7719406026482836
Energy: 0.6742029063474317
Energy: 0.6809005271527918
Energy: 0.710176192761044
Energy: 0.6797304352757592
Energy: 0.6857173622026973
Energy: 0.6893418716676816
Energy: 0.723817557559985
Energy: 0.6997117552684794
Energy: 0.6893994180113107
Energy: 0.7230018432672405
Energy: 0.716258852743037
Energy: 0.6873614122178452
Energy: 0.7030645225608388
Energy: 0.6797927512693656
Energy: 0.6873878910988537
Energy: 0.7039935446715633
Energy: 0.6828630636019606
Energy: 0.6892849453411937
Energy: 0.6794846513152414
Energy: 0.6816119646451848
Energy: 0.6893617312293284
Energy: 0.6790467022518502
Energy: 0.6858774874605209
Energy: 0.7217192138486181
Energy: 0.682017840838931
Energy: 0.6795443055904885
Energy: 0.6928711571650914
Energy: 0.686295757285467
Energy: 0.6809567563149131
Energy: 1.2371669620821073
Energy: 0.6817169397061489
Energy: 0.6968840432789996
Energy: 0.8710867552186964
Energy: 0.6888915773653332
Energy: 0.6970803583776309

minimum gb energy = 0.6556201257831241 eV
minimum distance =  2.56623917952103 Angstroms
sigma value = 33


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

Energy: 0.8652414525868483
Energy: 0.7741066463409557
Energy: 0.738833618223492
Energy: 0.8558003483327979
Energy: 0.7744348543938806
Energy: 0.9811095768247856
Energy: 0.7521593140694692
Energy: 0.7238909275858236
Energy: 0.7220253931781514
Energy: 0.7553653603259087
Energy: 0.7392207821689293
Energy: 0.7398858236777532
Energy: 0.7656489320989217
Energy: 0.7241421185204096
Energy: 0.7263509979411917
Energy: 0.7243023174354368
Energy: 0.7233721580027107
Energy: 0.7290825368942685
Energy: 0.7592770514790831
Energy: 0.7232571060777784
Energy: 0.7242527220350311
Energy: 0.7248970790071996
Energy: 0.740848949496572
Energy: 0.7243760129092892
Energy: 0.7525773557386989
Energy: 0.723917845114263
Energy: 0.7042584837085208
Energy: 0.7522767635319304
Energy: 0.741696815176907
Energy: 0.7228067927988122
Energy: 0.7738138110208792
Energy: 0.7057704726255211
Energy: 0.7068640732453675
Energy: 0.7997069267076454
Energy: 0.7038716233831523
Energy: 0.7066182822461876
Energy: 0.7971216878856413
Energy: 0.7052292647216035
Energy: 0.7247730115117563
Energy: 0.7475094259607763
Energy: 0.7492156069123862
Energy: 0.7419910141568307
Energy: 0.7954282667872187
Energy: 0.7436035420587697
Energy: 0.7180447906303399
Energy: 0.703583759834312
Energy: 0.7838944535743776
Energy: 0.7187026363672696
Energy: 0.7957968032338704
Energy: 0.7078021989695548
Energy: 0.7038031996858921
Energy: 0.7068385670201524
Energy: 0.7045370542635834
Energy: 0.7059231693236845
Energy: 1.1529629430212889
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Energy: 0.7247548457449543
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Energy: 0.7066801367859432
Energy: 0.7274918020963634
Energy: 0.7958510474594259
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Energy: 0.725456493340867
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Energy: 0.7229230376283282
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Energy: 0.7217003486590926
Energy: 0.7514049804383595
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Energy: 0.7222414713229941
Energy: 0.7528642372431749
Energy: 0.7244102936958157
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Energy: 0.7234477707177268
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Energy: 0.7211664697077528
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Energy: 0.7942892133041819
Energy: 0.7063656783105193
Energy: 0.7045565128477163
Energy: 0.8012688252232042
Energy: 0.7066825344766464
Energy: 0.8004509934232611
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Energy: 0.7038919101325569
Energy: 0.746131881941074
Energy: 0.7059424969549848
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Energy: 0.7565186146138746
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Energy: 0.7290089783842807
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Energy: 0.7877388215089032
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Energy: 0.7039186885449862
Energy: 0.726532143154013
Energy: 0.7230408609410302
Energy: 0.7428606540030589
Energy: 0.7265720662340668
Energy: 0.7275001919288837
Energy: 0.7272283487898856
Energy: 0.7501192165808831
Energy: 0.7215512359766042
Energy: 0.7263533010468362
Energy: 0.7299468676993788
Energy: 0.7384085626433549
Energy: 0.7400827548822995
Energy: 1.5065326557864331
Energy: 0.7242787526440984
Energy: 0.7353116875483197
Energy: 0.7033373252271029
Energy: 0.7559807650428015
Energy: 0.7218062086243312

minimum gb energy = 0.7017310675258273 eV
minimum distance =  2.5830388337327 Angstroms
sigma value = 67


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

Energy: 0.995374817118534
Energy: 0.7519186224327917
Energy: 0.750461136544902
Energy: 0.7503722780608899
Energy: 0.8093014234874387
Energy: 0.7495986825659109
Energy: 0.8047888535641621
Energy: 0.7522511538863988
Energy: 0.7513598000293679
Energy: 0.7521936350727834
Energy: 0.7544972584771807
Energy: 0.7504422940337858
Energy: 0.8119840080931221
Energy: 0.7212555903611764
Energy: 0.7521117791496605
Energy: 0.7520782242545211
Energy: 0.7205532177981484
Energy: 0.7521819702813926
Energy: 0.8077364594144709
Energy: 0.7495042142830048
Energy: 0.7509397680321684
Energy: 0.7525929002044828
Energy: 0.7496539414468877
Energy: 0.7509200706750226
Energy: 0.7991952115583978
Energy: 0.7523876124788905
Energy: 0.753821780470955
Energy: 0.7989830512983249
Energy: 0.7522054788737472
Energy: 0.7540587554539319
Energy: 0.8007483925947751
Energy: 0.7492958208746759
Energy: 0.7548171240899862
Energy: 0.8010845927201556
Energy: 0.7489317315680865
Energy: 0.7552124703964875
Energy: 0.8714823493884164
Energy: 0.7527815113628641
Energy: 0.7511239303096607
Energy: 0.7267898712649631
Energy: 0.7540935905888386
Energy: 0.7511512902957901

minimum gb energy = 0.7205532177981484 eV
minimum distance =  2.62314696733173 Angstroms
sigma value = 3


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

Energy: 1.3754842208106586
Energy: 0.9797379567299302
Energy: 0.8876477600296052
Energy: 0.8332315838378922
Energy: 1.3970055391837863
Energy: 0.8723196099529702
Energy: 0.8093355661713676
Energy: 0.8221410693640784
Energy: 0.8103442021125753
Energy: 0.8324901396822929
Energy: 0.8109514001368504
Energy: 0.8111406875537719
Energy: 0.8094961088519459
Energy: 0.8116882491879082
Energy: 0.8113398241503658
Energy: 0.8095713536193376
Energy: 0.8115936461240109
Energy: 0.8100123793149981
Energy: 0.8127093005660833
Energy: 0.8105102756144196
Energy: 0.810502071555042
Energy: 0.8136947349272035
Energy: 0.8112777780482926
Energy: 0.8103672862604774
Energy: 0.8202471131092194
Energy: 0.810025212998892
Energy: 0.8095205149059961
Energy: 0.8098730026772482
Energy: 0.8099655666127612
Energy: 0.8098762291506787
Energy: 0.8107753462638742
Energy: 0.8097572694460362
Energy: 0.8099955903652595
Energy: 0.8108057495915911
Energy: 0.8095295112296901
Energy: 0.8095618770201453
Energy: 0.8101353652483763
Energy: 0.8332630457975032
Energy: 0.843113801177388
Energy: 0.8330946547158283
Energy: 0.8440012404173399
Energy: 0.839796664973016
Energy: 1.0279094027313629
Energy: 0.8802966448110102
Energy: 0.8805605307189652
Energy: 0.8054669495479143
Energy: 0.808904129016022
Energy: 0.8367565204973776
Energy: 0.8123088755546802
Energy: 0.8078706476117938
Energy: 0.8068905428507598
Energy: 0.836154626123263
Energy: 0.8150373977252666
Energy: 0.8300225125657837
Energy: 0.8128578937893307
Energy: 0.8046036433414967
Energy: 0.8148211387271976
Energy: 0.8945350728453534
Energy: 0.804686675635157
Energy: 0.8491506774045463
Energy: 0.849836027855409
Energy: 0.8061550117779535
Energy: 0.8327735141553679
Energy: 0.8502590351044608
Energy: 0.8223665975533521
Energy: 0.8419245821889169
Energy: 0.851344262189211
Energy: 0.807806135760272
Energy: 0.8069145247395837
Energy: 0.8603809301820332
Energy: 0.8063716247989147
Energy: 0.8059946164854369
Energy: 0.8793170328920582
Energy: 0.8073347483622954
Energy: 0.8066013248933083
Energy: 0.8046017821202801
Energy: 0.8070356992944271
Energy: 0.8060274273729594
Energy: 0.8866976050445142
Energy: 0.8133404091604748
Energy: 0.8062614666819538
Energy: 0.8437249946930199
Energy: 0.8095196289235664
Energy: 0.8066138957958809
Energy: 0.9324273171872609
Energy: 0.8080603734229305
Energy: 0.8723516176862287
Energy: 0.8127045752181781
Energy: 0.8081624946702656
Energy: 0.8088682055608624
Energy: 0.8410678238929133
Energy: 0.8110833662208061
Energy: 0.808547861015429
Energy: 0.8202271249088066
Energy: 0.8410159088374493
Energy: 0.8085925565972532
Energy: 1.013188754419404
Energy: 0.8117596064741736
Energy: 0.8233660126516162
Energy: 1.0129808747681233
Energy: 0.8123287931515504
Energy: 0.8383975416374833
Energy: 0.8445430762538302
Energy: 0.8131830265204562
Energy: 0.8421388215513391
Energy: 0.8309069817960687
Energy: 0.8255847178031708
Energy: 0.8453591643350482
Energy: 0.839574269031575
Energy: 0.80822887125768
Energy: 0.8072162292960136
Energy: 0.828879635826548
Energy: 0.8150407323575991
Energy: 0.8048443957788175
Energy: 0.9852921196146239
Energy: 0.8415175463466582
Energy: 0.8385188437735625
Energy: 0.8287622898497883
Energy: 0.8450122315550467
Energy: 0.8047873318860658
Energy: 0.844325100816759
Energy: 0.8452857793742719
Energy: 0.8468636623265496
Energy: 0.8448489000688535
Energy: 0.8087602577295231
Energy: 0.8333518086542215
Energy: 0.8458491593993887
Energy: 0.8350091676972416
Energy: 0.8331148376522532
Energy: 0.8313353501708289
Energy: 0.8430561147099923
Energy: 0.8315910925642576
Energy: 0.8475730736045421
Energy: 0.8329429462161657
Energy: 0.8330340978125857
Energy: 0.8492471379819088
Energy: 0.80690377847108
Energy: 0.8501035494018008
Energy: 0.8548588380623694
Energy: 0.8061174328503694
Energy: 0.8054060160048497
Energy: 0.8555300421897865
Energy: 0.8062048110466633
Energy: 0.8491972449346861
Energy: 0.819991164477115
Energy: 0.8324047883205337
Energy: 0.812448164256571
Energy: 0.8377857287023219
Energy: 0.8103219814094575
Energy: 0.8130588715909763
Energy: 1.0500782712670043
Energy: 0.913557066062456
Energy: 0.8635648363094653
Energy: 0.808205820102858
Energy: 0.8520394539817676
Energy: 0.8274104064463673
Energy: 0.800420209694263
Energy: 0.8871722131249473
Energy: 0.8280532954615777
Energy: 0.8059543997055314
Energy: 0.8904601174470693
Energy: 0.8384030120565782
Energy: 0.820724443414634
Energy: 0.812778048873045
Energy: 0.8121778247759853
Energy: 0.825353491354487
Energy: 0.851835181685029
Energy: 0.8125898526625805
Energy: 0.8240568950254349
Energy: 0.8123316832120615
Energy: 0.8117316300457273
Energy: 0.8242304977544724
Energy: 0.8125534714599382
Energy: 0.8278900327117842
Energy: 0.825138267500484
Energy: 0.8258554096356301
Energy: 0.8257335576575737
Energy: 0.8266788374520366
Energy: 0.8059951487125192
Energy: 0.8260933267625717
Energy: 0.825564318333665
Energy: 0.825751490944723
Energy: 0.8255778302113604
Energy: 0.825962726766045
Energy: 0.8274207821836961
Energy: 0.825689549510522
Energy: 0.8322667522619688
Energy: 0.8466056570665621
Energy: 0.8476213274274613
Energy: 0.848672707219776
Energy: 0.8084273765953088
Energy: 0.8441210649049191
Energy: 1.0286363997492574
Energy: 0.8773377734455519
Energy: 0.8754936658508268
Energy: 0.8046521867993016
Energy: 0.9199603024886177
Energy: 0.8241093807958155
Energy: 0.8136687002962364
Energy: 0.8078555786459063
Energy: 0.8070671373123842
Energy: 0.8101615530647452
Energy: 0.8285154328102455
Energy: 0.8064375354339766
Energy: 0.8249938888156648
Energy: 0.8300958128897787
Energy: 0.8369177909572736
Energy: 0.8259538229987492
Energy: 0.8220640767979601
Energy: 0.839740395679887
Energy: 0.9088934351937724
Energy: 0.8044365237908729
Energy: 0.804354018421493
Energy: 0.9095597540710673
Energy: 0.8047394658468726
Energy: 0.8648474816009929
Energy: 0.8400946142229169
Energy: 0.8117165895269043
Energy: 0.8071619266096527
Energy: 0.8436902928202494
Energy: 0.812319325081106
Energy: 0.8062327708325996
Energy: 1.0193981423016043
Energy: 0.8083698737406715
Energy: 0.8064017133231624
Energy: 0.8050626562494951
Energy: 0.8084020878322278
Energy: 0.8447488262203077
Energy: 0.8933569681480269
Energy: 0.814769359251389
Energy: 0.8062735663735079
Energy: 0.8446490086237791
Energy: 0.811554744051419
Energy: 0.8057750984833498
Energy: 0.9328489426817006
Energy: 0.8068123211180162
Energy: 0.8072357615614115
Energy: 0.8115174424039369
Energy: 0.8066125753426389
Energy: 0.8071902117286951
Energy: 0.8871748117355366
Energy: 0.8134566594780089
Energy: 0.8072553471460232
Energy: 0.8482338856804932
Energy: 0.8720635153845334
Energy: 0.8073161963415179
Energy: 0.8453502398741394
Energy: 0.8120401231209448
Energy: 0.8103395152137182
Energy: 0.8333772727391127
Energy: 0.8294643061129879
Energy: 0.8369712752131525
Energy: 0.957063472883783
Energy: 0.8114367524451491
Energy: 0.833417744374356
Energy: 0.9150355978617254
Energy: 0.8118651367489133
Energy: 0.8873328828380295
Energy: 0.8353060516488826
Energy: 0.8113633014004176
Energy: 0.8069062912869178
Energy: 0.8160720080114151
Energy: 0.8074426411745136
Energy: 0.8065651491595549
Energy: 1.1680265062769697
Energy: 0.8330590345349926
Energy: 0.8160935771691834
Energy: 0.838898152128158
Energy: 0.8338231246482677
Energy: 0.8151567385249067
Energy: 0.8350022104666232
Energy: 0.8319300930100972
Energy: 0.8339136000067294
Energy: 0.8375934513439889
Energy: 0.8338839120041999
Energy: 0.8331462787083771
Energy: 0.8301276363248052
Energy: 0.8230184776018121
Energy: 0.822094625581488
Energy: 0.8216533399808945
Energy: 0.8296499132826874
Energy: 0.8218723174414118
Energy: 0.8290364166191866
Energy: 0.823343630946464
Energy: 0.8245129230593784
Energy: 0.8309485491371343
Energy: 0.8338943966737479
Energy: 0.8240740738884519
Energy: 0.8299237017690806
Energy: 0.8042676453353884
Energy: 0.8110146566745198
Energy: 0.830903928468085
Energy: 0.8049491508254447
Energy: 0.8335986690121017
Energy: 0.8096037381299084
Energy: 0.8041437221533095
Energy: 0.8041957307386266
Energy: 0.8196064493588255
Energy: 0.8044866624272118
Energy: 0.8104706755065868
Energy: 0.8103706540176027
Energy: 0.8316326660257396
Energy: 0.8250604022553515
Energy: 0.8639416473832118
Energy: 0.809795110468077
Energy: 0.825038009415604

minimum gb energy = 0.800420209694263 eV
minimum distance =  2.59331503693594 Angstroms
sigma value = 81


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

Energy: 1.686566619268117
Energy: 0.8982836508267165
Energy: 0.8503681040531542
Energy: 0.8519014655046224
Energy: 0.8468329436664109
Energy: 0.8481060758558139
Energy: 0.8200290110012205
Energy: 0.8395114411311669
Energy: 0.8395460497436943
Energy: 0.8265257009229598
Energy: 0.7945797584466647
Energy: 0.8446334466898425
Energy: 0.860940714399755
Energy: 0.8108802849439585
Energy: 0.7845715344646937
Energy: 0.8619059926563102
Energy: 0.8108225297595715
Energy: 0.8582488516794525
Energy: 0.820027570208837
Energy: 0.8086707489292729
Energy: 0.8427420515863958
Energy: 0.8196562385313952
Energy: 0.8102897575438459
Energy: 0.8434882353530877
Energy: 0.8202561230064588
Energy: 0.825477700821656
Energy: 0.8323478412402189
Energy: 0.8202752871765077
Energy: 0.8501107979874432
Energy: 0.8262494501490996
Energy: 0.8177395892056354
Energy: 0.8377664967297679
Energy: 0.8324393108139527
Energy: 0.8257150617954119
Energy: 0.8373214134039595
Energy: 0.8259688907431214
Energy: 0.8077682456599169
Energy: 0.789514505045319
Energy: 0.7907725505472099
Energy: 0.7915752161602051
Energy: 0.793936114738258
Energy: 0.8159535212157216
Energy: 1.2770604656483375
Energy: 0.8952100263833026
Energy: 0.8858294785336652
Energy: 0.7827106590413818
Energy: 0.8881807007344679
Energy: 0.8014256640795125
Energy: 0.8087468449216435
Energy: 0.7897529041255865
Energy: 0.8143931450524481
Energy: 0.7897659633030422
Energy: 0.7943460633467003
Energy: 0.8146253330900024
Energy: 0.8662377040483981
Energy: 0.7893632573920195
Energy: 0.8307159278032733
Energy: 0.8526590264293865
Energy: 0.8391171972383865
Energy: 0.8324161987669259
Energy: 0.8053099244813481
Energy: 0.8130978782647592
Energy: 0.8387970521065455
Energy: 0.8796038148470371
Energy: 0.7935016492320607
Energy: 0.7895636570250216
Energy: 0.7944008885776243
Energy: 0.7897747131924315
Energy: 0.8147551656481675
Energy: 0.786617516751482
Energy: 0.8025322601152804
Energy: 0.813590585776961
Energy: 0.8906694972222104
Energy: 0.7892401922018788
Energy: 0.8141022217985397
Energy: 0.8109003720027979
Energy: 0.8338516520403488
Energy: 0.781691929396888
Energy: 0.803425473040899
Energy: 0.789591313265163
Energy: 0.7896429223265649
Energy: 0.8098476158978772
Energy: 0.7899555881690564
Energy: 0.8269635734801797
Energy: 0.985810296297969
Energy: 0.790660033997491
Energy: 0.8486215847711011
Energy: 0.8447362789239296
Energy: 0.7906608951841403
Energy: 0.8433071746689037
Energy: 0.8170606251615891
Energy: 0.8452925273172374
Energy: 0.8428141142459225
Energy: 0.8034164903200763
Energy: 0.8187599702517705
Energy: 0.84325425798197
Energy: 0.9917972871589267
Energy: 0.7823986542612131
Energy: 0.7824043533026576
Energy: 0.8983507093565852
Energy: 0.7825298504179016
Energy: 0.8014486659643605
Energy: 0.7985618549909866
Energy: 0.8244314515554306
Energy: 0.8232863189565686
Energy: 0.7985347143810323
Energy: 0.7983590085155344
Energy: 0.8244852400227255
Energy: 0.799967967678759
Energy: 0.8589335425958498
Energy: 0.8377232113407119
Energy: 0.8421539399241788
Energy: 0.8597598034376308
Energy: 0.8375151722145537
Energy: 0.8005105693439971
Energy: 0.857190860765548
Energy: 0.838423076159216
Energy: 0.8384043117844528
Energy: 0.8567005947061302
Energy: 0.8358715295445609
Energy: 0.7983615385974958
Energy: 0.8393995406386688
Energy: 0.8237193829603962
Energy: 0.7990693252267144
Energy: 0.7985671704186988
Energy: 0.7988326412930052
Energy: 0.8396526466309342
Energy: 0.7826675666534423
Energy: 0.8090174867261617
Energy: 0.8399506649097983
Energy: 0.81214117594769
Energy: 0.8112828336806821
Energy: 0.8336592530592634
Energy: 0.8387163353567155
Energy: 0.8511328318804943
Energy: 0.7980998936026115
Energy: 0.7991867316842791
Energy: 0.7988731538987118
Energy: 0.8401319783957715
Energy: 0.8357824247624909
Energy: 0.8358003178606666
Energy: 0.8349681811096742
Energy: 0.8267871718277344
Energy: 0.8354390618205607
Energy: 0.7977220968793861
Energy: 0.8181035263813098
Energy: 0.8139375981003181
Energy: 0.8103058308503803
Energy: 0.7936204546250697
Energy: 0.8280094812071721
Energy: 0.7840241767428988
Energy: 0.8815178328515666
Energy: 0.8781213966891627
Energy: 0.7827730046801156
Energy: 0.8774299461381183
Energy: 0.8142005379525205
Energy: 0.7853508661870531
Energy: 0.7893942688594042
Energy: 0.7895960928707336
Energy: 0.7839644588065368
Energy: 0.7891074503794074
Energy: 0.8139098709593755
Energy: 0.7977346212834023
Energy: 0.8130530589980474
Energy: 0.815663083727055
Energy: 0.7883159681459364
Energy: 0.7943014509099162
Energy: 0.7893371285955711
Energy: 0.8721152028125148
Energy: 0.7884924660289903
Energy: 0.8315296631883338
Energy: 0.8522642411741655
Energy: 0.8405055841527598
Energy: 0.836962144105103
Energy: 0.8132498384150411
Energy: 0.789692746168959
Energy: 0.7896451738547322
Energy: 0.788541521198829
Energy: 0.7939166967499512
Energy: 0.8154819535480247
Energy: 0.8877646732226814
Energy: 0.8292290474409162
Energy: 0.8126498197812916
Energy: 0.8117829045408286
Energy: 0.8797260657394769
Energy: 0.7821422517206161
Energy: 0.8141490776882072
Energy: 0.7893646174439348
Energy: 0.7890779152860184
Energy: 0.7891247920458004
Energy: 0.7891194229875599
Energy: 0.8169625041628144
Energy: 0.8255877085862046
Energy: 0.8204292362425407
Energy: 0.8336398378772499
Energy: 0.8402993156185146
Energy: 0.820547936838072
Energy: 0.8330768090747439
Energy: 0.8272403722066195
Energy: 0.8394576415434045
Energy: 0.8318157159699564
Energy: 0.8276941134127086
Energy: 0.8371347880183051
Energy: 0.8410839167521922
Energy: 0.8271085517624618
Energy: 0.8404144464864602
Energy: 0.845471571445303
Energy: 0.8273088084643905
Energy: 0.8237535402129778
Energy: 0.8471532108050963
Energy: 0.9509881185194352
Energy: 0.7825197480149555
Energy: 0.782890748201911
Energy: 0.9028358315071783
Energy: 0.7826164501349139
Energy: 0.9214161750936606
Energy: 0.8208072656845644
Energy: 0.8382239392766068
Energy: 0.8396009465037599
Energy: 0.8267302194193089
Energy: 0.7943831059623879
Energy: 0.8446979776820234
Energy: 0.9981491939763888
Energy: 0.8416032165099974
Energy: 0.8503460324174714
Energy: 0.8442275673901156
Energy: 0.8385929108509088
Energy: 0.8465013326463233

minimum gb energy = 0.781691929396888 eV
minimum distance =  2.58738748859373 Angstroms
sigma value = 43


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

Energy: 1.4159995279349993
Energy: 0.9231677984597765
Energy: 0.9169404940573228
Energy: 0.8259493079323095
Energy: 0.9666431289764379
Energy: 0.8266833665444873
Energy: 0.7991994408478056
Energy: 0.8200721816406916
Energy: 0.8140737205449364
Energy: 0.7999389057296838
Energy: 0.801219935142613
Energy: 0.8125281478883295
Energy: 0.8013972558106016
Energy: 0.7823117303675519
Energy: 0.7821315245297047
Energy: 0.8418568351694217
Energy: 0.7823949537595108
Energy: 0.7991914454181142
Energy: 0.8002745231849783
Energy: 0.7830779064567023
Energy: 0.8080785834893751
Energy: 0.7999928596736443
Energy: 0.8014030511514988
Energy: 0.7992666412141688
Energy: 0.8001931509455941
Energy: 0.8222320824916576
Energy: 0.8226084526680328
Energy: 0.8003814504194577
Energy: 0.8200465495143322
Energy: 0.8199935638425337
Energy: 0.8015552113865325
Energy: 0.8200948334416442
Energy: 0.8211992640568143
Energy: 0.8140583209561228
Energy: 0.8089909578564974
Energy: 0.8219563565369404
Energy: 0.7998668942251465
Energy: 0.7994613404877787
Energy: 0.799715425212122
Energy: 0.8003760014496777
Energy: 0.7993647717436303
Energy: 0.8079591308528591
Energy: 0.9526807360237944
Energy: 0.8011840015276365
Energy: 0.9973713878918015
Energy: 0.793657159379829
Energy: 0.8014834682405985
Energy: 0.799915008411245
Energy: 0.7998485185323962
Energy: 0.7997781559244214
Energy: 0.7997013995657637
Energy: 0.7999375320579349
Energy: 0.7996712669330422
Energy: 0.8083567842853285
Energy: 0.8005068270359064
Energy: 0.8014773900093207
Energy: 0.8014456007644596
Energy: 0.7999168444847454
Energy: 0.8123038950355923
Energy: 0.8013630078014216
Energy: 0.7957258759450851
Energy: 0.7966375653556284
Energy: 0.8254878633729538
Energy: 0.7998813509073018
Energy: 0.8307565194744289
Energy: 0.8137527126544142
Energy: 0.8210086102449311
Energy: 0.7991782235668866
Energy: 0.7993092284791451
Energy: 0.7831699029791295
Energy: 0.8005081959209404
Energy: 0.7991431148479184
Energy: 0.8183331061317205
Energy: 0.7990300775954691
Energy: 0.813942607557076
Energy: 0.7848200108100347
Energy: 0.7995606036256234
Energy: 0.8140493006122352
Energy: 0.7959455971666746
Energy: 0.8081056583526232
Energy: 0.7948748613490246
Energy: 0.8003940345055275
Energy: 0.7996973508410422
Energy: 0.8142249925110698
Energy: 0.7947897392745628
Energy: 0.815179258449592
Energy: 0.8712292078212578
Energy: 0.7955104762950508
Energy: 0.7826109901909974
Energy: 0.8125419377523703
Energy: 0.7956177449149501
Energy: 0.8307129363284612
Energy: 0.8140773228612623
Energy: 0.7953420494406764
Energy: 0.8156338497694348
Energy: 0.7947814996592754
Energy: 0.7947711673361947
Energy: 0.7945032223687111
Energy: 0.7944784685884698
Energy: 0.7948373600702211
Energy: 0.8152625946711964
Energy: 0.7944826224174959
Energy: 0.7943165437702753
Energy: 0.8300534130750068
Energy: 0.8118960128410784
Energy: 0.8224428956312339
Energy: 0.7958706853046377
Energy: 0.8118422984734938
Energy: 0.8053298610541682
Energy: 0.7941818874762053
Energy: 0.7947378069408624
Energy: 0.8179926482698079
Energy: 0.7944238616981366
Energy: 0.7996144722149032
Energy: 0.8043029780691866
Energy: 0.7943072629924001
Energy: 0.7952748774777195
Energy: 0.8182097619798897
Energy: 0.7945425811030609
Energy: 0.7994949409249587
Energy: 0.7951896435383556
Energy: 0.7962681588264862
Energy: 0.8262448361874829
Energy: 0.8156618756297265
Energy: 0.8220590711812026
Energy: 0.811824860387549
Energy: 0.956492010758063
Energy: 0.816184374540993
Energy: 0.8164677630354572
Energy: 0.9568511044472591
Energy: 0.7863387940689102
Energy: 0.8173413161247264
Energy: 0.8381067931389257
Energy: 0.7958067097605914
Energy: 0.7966827689326565
Energy: 0.8160956581274925
Energy: 0.7937460348669245
Energy: 0.7956630236472181
Energy: 0.8566077802623343
Energy: 0.7945916526699855
Energy: 0.7948808322103493
Energy: 0.8001244700069923
Energy: 0.7954339719624799
Energy: 0.7948873702048388
Energy: 0.8399767455055753
Energy: 0.7938287532081229
Energy: 0.7936765221346954
Energy: 0.8240709053452184
Energy: 0.7938984727877268
Energy: 0.811243719315028
Energy: 0.8519621797805784
Energy: 0.7962564695647985
Energy: 0.8144419837470741
Energy: 0.8237713762230706
Energy: 0.7957944310446093
Energy: 0.8051989758173141
Energy: 0.8521955350056432
Energy: 0.8157289695912633
Energy: 0.8139095003454232
Energy: 0.7991531207139229
Energy: 0.8262479685441552
Energy: 0.805724382128229
Energy: 0.8645957887381226
Energy: 0.8082247667457689
Energy: 0.7940052258810364
Energy: 0.799823742017525
Energy: 0.8236774549783292
Energy: 0.8085554006620762
Energy: 0.8165238517516065
Energy: 0.7995508216801533
Energy: 0.7995673051242161
Energy: 0.8166180282428372
Energy: 0.793882196034604
Energy: 0.7998048986720763
Energy: 0.8001252188827231
Energy: 0.8193428441414576
Energy: 0.8148015636714178
Energy: 0.8000669328849528
Energy: 0.8001687064499702
Energy: 0.8083638015927694
Energy: 0.787909448660554
Energy: 0.8653226726650677
Energy: 0.8429436386564156
Energy: 0.8191278970638525
Energy: 0.8618595198539917
Energy: 0.7843726990922916

minimum gb energy = 0.7821315245297047 eV
minimum distance =  2.58260660802511 Angstroms
sigma value = 57


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

Energy: 1.06483568134413
Energy: 0.9053797418015421
Energy: 0.8435334254645083
Energy: 0.7582211317993077
Energy: 0.9973544594917331
Energy: 0.8434896920805041
Energy: 0.8034559734291469
Energy: 0.8070372210096197
Energy: 0.7967110271566841
Energy: 0.8172904784470743
Energy: 0.8159952551810065
Energy: 0.8248438113071264
Energy: 0.8616074733152498
Energy: 0.7674075242984308
Energy: 0.7666703259252361
Energy: 0.8144816670623267
Energy: 0.7680710817373391
Energy: 0.7636421221984676
Energy: 0.8037657239892956
Energy: 0.7682637071229468
Energy: 0.7606442387175939
Energy: 0.8037353642161221
Energy: 0.7699451540227555
Energy: 0.7968347457580692
Energy: 0.8044717622196074
Energy: 0.8152798261508488
Energy: 0.7969457830798669
Energy: 0.8041917463696006
Energy: 0.7965559411173869
Energy: 0.7893301703081369
Energy: 0.7694010187599738
Energy: 0.7938495441595574
Energy: 0.7961201192816455
Energy: 0.7912943100567066
Energy: 0.7995572721020817
Energy: 0.7896688412756001
Energy: 0.8168075838659344
Energy: 0.8041425387255087
Energy: 0.812123544481275
Energy: 0.8177220769788722
Energy: 0.8053270274760951
Energy: 0.7949718069358089
Energy: 0.8028377125653179
Energy: 0.8028510205664933
Energy: 0.8065362101124339
Energy: 0.7884502726449991
Energy: 0.8037960327833823
Energy: 0.8006052841320795
Energy: 0.8156111943038444
Energy: 0.8059775986469729
Energy: 0.8051552094854275
Energy: 0.8158227866364943
Energy: 0.8067257129697408
Energy: 0.8008300005517596
Energy: 0.9020684335973348
Energy: 0.7993978932933508
Energy: 0.7987938912646477
Energy: 0.9025318911509528
Energy: 0.7871918882008854
Energy: 0.7988806236465809
Energy: 0.8618010128117569
Energy: 0.7838220041629539
Energy: 0.8156332648469575
Energy: 0.8127413223969233
Energy: 0.8058996992761966
Energy: 0.8098634484948742
Energy: 0.7525482732087486
Energy: 0.804914833568062
Energy: 0.8043000432416432
Energy: 0.7550477690759867
Energy: 0.8134955603587869
Energy: 0.8378379706544282
Energy: 0.7574740420920926
Energy: 0.8055522877902039
Energy: 0.8425111302245346
Energy: 0.7689486649222889
Energy: 0.8119520770545378
Energy: 0.8430558639629975
Energy: 0.805700735274076
Energy: 0.8100572407052413
Energy: 0.8245702827946242
Energy: 0.8157846300222013
Energy: 0.8170998605780289
Energy: 0.7966250517466333
Energy: 0.8087433036264767
Energy: 0.7535319889048487
Energy: 0.7540392374821747
Energy: 0.8090440817017079
Energy: 0.7545627100767923
Energy: 0.7577494741343317
Energy: 0.806037577519613
Energy: 0.7863254214089317
Energy: 0.7944027964960021
Energy: 0.8049186746227314
Energy: 0.8015451057799776
Energy: 0.7953446611727094
Energy: 0.8058440976298621
Energy: 0.8059245534175146
Energy: 0.7892520487413942
Energy: 0.8019237146085882
Energy: 0.7840598941808327
Energy: 0.7880560979550743
Energy: 0.8067643261756449
Energy: 0.7968023534057425
Energy: 0.7954728453146244
Energy: 0.8009516917041274
Energy: 0.8038059568533901
Energy: 0.8016949050315612
Energy: 0.8171750112863772
Energy: 0.8035391313815508
Energy: 0.8036667811818443
Energy: 0.7965237617693526
Energy: 0.8050388120170763
Energy: 0.8017182215939193
Energy: 0.8169040604190533
Energy: 0.8096432329289831
Energy: 0.8087455307725945
Energy: 0.79557889159573
Energy: 0.8046148973575139
Energy: 0.8097457898954705
Energy: 0.813623561405427
Energy: 0.8099070521758894
Energy: 0.8238913557449712
Energy: 0.8144585113528783
Energy: 0.8091725767653366
Energy: 0.7886944582568561
Energy: 0.9047006200224882
Energy: 0.7979237228275292
Energy: 0.7981703480367107
Energy: 0.9053222110155739
Energy: 0.7976834292728706
Energy: 0.8016468197291042
Energy: 0.8054533828222514
Energy: 0.8090249671061257
Energy: 0.7990651352715644
Energy: 0.8159505113184016
Energy: 0.8171372976952433
Energy: 0.82575694364142
Energy: 0.7570745354013847
Energy: 0.8087240211032468
Energy: 0.8425601794129175
Energy: 0.7690401037113965
Energy: 0.8120306239903647
Energy: 0.842876555906343

minimum gb energy = 0.7525482732087486 eV
minimum distance =  2.56554272639911 Angstroms
sigma value = 17


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

Energy: 1.2267585888725336
Energy: 0.8374113390720309
Energy: 0.9709019167810985
Energy: 0.8005744272609717
Energy: 0.8371677302852487
Energy: 0.8182470298517348
Energy: 0.942790599177273
Energy: 0.8532113037094607
Energy: 0.8565899815829673
Energy: 0.8680630219254291
Energy: 0.8541331069361874
Energy: 0.7991904956432464
Energy: 0.8296847342557726
Energy: 0.7745184667176859
Energy: 0.7739874407871179
Energy: 0.843904451494641
Energy: 0.7670844949770301
Energy: 0.766488739701897
Energy: 0.8573510207654229
Energy: 0.7670250130978512
Energy: 0.7663275334111684
Energy: 0.8586752967426743
Energy: 0.740522896195477
Energy: 0.8498064558312365
Energy: 0.7550670690137133
Energy: 0.7620272124131444
Energy: 0.7627768906396897
Energy: 0.7551857188368706
Energy: 0.7615606911385988
Energy: 0.7647585160848357
Energy: 0.7777376999784203
Energy: 0.762912255925849
Energy: 0.7646614131522771
Energy: 0.742386661389244
Energy: 0.7482062699488244
Energy: 0.7430965860750735
Energy: 0.7515103036394327
Energy: 0.7460122878756993
Energy: 0.7462151830872721
Energy: 0.7475246968384216
Energy: 0.7488210798126791
Energy: 0.7457431219195861
Energy: 0.767508247273791
Energy: 0.7501090339988378
Energy: 0.7498711604891283
Energy: 0.7503852630318095
Energy: 0.7494561843327472
Energy: 0.7671586542232589
Energy: 0.7486749930204732
Energy: 0.7465029965371944
Energy: 0.7460769809938136
Energy: 0.7498493863560174
Energy: 0.762771856910739
Energy: 0.746547111831137
Energy: 0.74730229458504
Energy: 0.7636989769907757
Energy: 0.7645882103748767
Energy: 0.7476528644264984
Energy: 0.7641184488597773
Energy: 0.7630379762035128
Energy: 0.7718504671890756
Energy: 0.7619315181723263
Energy: 0.7638418668533059
Energy: 0.7618839187859485
Energy: 0.7557330267970545
Energy: 0.7626099802676483
Energy: 0.7558417383149542
Energy: 0.8528861872241849
Energy: 0.852899139946352
Energy: 0.7550932565553528
Energy: 0.852570554587011
Energy: 0.8451722216860839
Energy: 0.7552943654464809
Energy: 0.8452411215672424
Energy: 0.8503011730591292
Energy: 0.7627329915160487
Energy: 0.8438641180012416
Energy: 0.8524129622343214
Energy: 0.8646105782179869
Energy: 0.8531814863919842
Energy: 0.7989657615482784
Energy: 0.8637154265240381
Energy: 0.8534909515198195
Energy: 0.7940368790031823
Energy: 0.9358218782822788
Energy: 0.8569125565982726
Energy: 0.8808494543055783
Energy: 0.8368261509319832
Energy: 0.8505232715148253
Energy: 0.8623325175111389
Energy: 0.823790836193266
Energy: 0.8683290708805969
Energy: 0.8049503522735032
Energy: 0.8535504708548096
Energy: 0.8682187579560199
Energy: 0.852986166625155
Energy: 0.7256982560725099
Energy: 0.8519779483002603
Energy: 0.9290674049980471
Energy: 0.7250614949995268
Energy: 0.8369961529479284
Energy: 0.9045598551982896

minimum gb energy = 0.7250614949995268 eV
minimum distance =  2.55917105891545 Angstroms
sigma value = 17


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

Energy: 1.283691182268249
Energy: 0.8506549423898682
Energy: 0.7962684221798859
Energy: 0.7654738651556826
Energy: 1.1540705956820165
Energy: 0.7940371557610205
Energy: 0.9107427686178293
Energy: 0.8467170758241329
Energy: 0.7356060403471087
Energy: 0.848920710654934
Energy: 0.8442398348664202
Energy: 0.7815356157550695
Energy: 0.9885164347569564
Energy: 0.7055219871751
Energy: 0.7666272303848984
Energy: 0.8425364498257667
Energy: 0.7057332211783766
Energy: 0.766534245758057
Energy: 0.8464302425445197
Energy: 0.7623902968088221
Energy: 0.766904827627337
Energy: 0.8474116439979602
Energy: 0.7054511988900604
Energy: 0.7620642930976707
Energy: 0.7386365079122859
Energy: 0.7374421978583937
Energy: 0.7419260526256397
Energy: 0.7389204928541764
Energy: 0.7367871143096791
Energy: 0.7377824513546093
Energy: 0.7571549891310564
Energy: 0.7401619814338617
Energy: 0.7033629848217611
Energy: 0.7078395960723188
Energy: 0.729216455831713
Energy: 0.7043787526697931
Energy: 0.6842393877434902
Energy: 0.7284226742350224
Energy: 0.728489507221227
Energy: 0.69237731900352
Energy: 0.7320240492555793
Energy: 0.6965166266156193
Energy: 0.6870199645320927
Energy: 0.6844236484885916
Energy: 0.6931404370342352
Energy: 0.6960540615744346
Energy: 0.684511467924257
Energy: 0.6934553744898722
Energy: 0.6858893044256613
Energy: 0.6940384260056335
Energy: 0.6978374533726837
Energy: 0.6871491081866196
Energy: 0.696753615182204
Energy: 0.6844388927300147
Energy: 0.6845881095481043
Energy: 0.6885774069839642
Energy: 0.6885316600897746
Energy: 0.684555795062168
Energy: 0.6882047418583442
Energy: 0.688590969746788
Energy: 0.6962585192079929
Energy: 0.6850660361371824
Energy: 0.6877009180413459
Energy: 0.6872264127441501
Energy: 0.6846142360677752
Energy: 0.6879460620013949
Energy: 0.6879107063338817
Energy: 0.6845811849476277
Energy: 0.6844201015343238
Energy: 0.6887833638097957
Energy: 0.6901687202671523
Energy: 0.6982372671907167
Energy: 0.6973674995567897
Energy: 0.693593629912718
Energy: 0.6930281138174987
Energy: 0.6962235098113478
Energy: 0.6977912128943868
Energy: 0.6938920228801383
Energy: 0.7287546545042104
Energy: 0.6966807196243953
Energy: 0.69640359711563
Energy: 0.7298191377786383
Energy: 0.6950069271728002
Energy: 0.7287263274394904
Energy: 0.7294763956629582
Energy: 0.7025763575155355
Energy: 0.702879513267674
Energy: 0.7292606397439588
Energy: 0.701754499434779
Energy: 0.7332072105204829
Energy: 0.8412073296964335
Energy: 0.7491394982123077
Energy: 0.7387567167965065
Energy: 0.7365546529462382
Energy: 0.7395880762523083
Energy: 0.7386994106807947
Energy: 0.6854568959878625
Energy: 0.8417016356972453
Energy: 0.8416941874358683
Energy: 0.6870342420359639
Energy: 0.8505804110878968
Energy: 0.7402657879434691
Energy: 0.6859953196181573
Energy: 0.8430414872376432
Energy: 0.8469970958625748
Energy: 0.7411292680021848
Energy: 0.849687938769601
Energy: 0.7370585415582114
Energy: 0.837900042857303
Energy: 0.842201031999221
Energy: 0.7820984598317979
Energy: 0.7373888965997255
Energy: 0.7341116433835866
Energy: 0.7366636600899971
Energy: 0.9848700446886068
Energy: 0.7475776451479293
Energy: 0.745732068454679
Energy: 0.8423660713310853
Energy: 0.746725082357002
Energy: 0.8223940778753982
Energy: 0.9890351191168505
Energy: 0.842281096735193
Energy: 0.7367829093923831
Energy: 0.8433875123905139
Energy: 0.8435698758202127
Energy: 0.8422896066600982
Energy: 0.6957642786152491
Energy: 0.8515357568815016
Energy: 0.9147199555079433
Energy: 0.7093621839887131
Energy: 0.8481045149239074
Energy: 0.7629536889502759
Energy: 0.6983162844640428
Energy: 0.8465095901674595
Energy: 0.8471268098087531
Energy: 0.6999053097798431
Energy: 0.8461076592442103
Energy: 0.8195225874631709
Energy: 0.9860325688440819
Energy: 0.7120060247900372
Energy: 0.7385318560991249
Energy: 0.8438913883171663
Energy: 0.7060026996138928
Energy: 0.8421635027346275
Energy: 0.8416723852146013
Energy: 0.7080871900885778
Energy: 0.7477551451514287
Energy: 0.8419472584218137
Energy: 0.7082291269645307
Energy: 0.7598398026579706
Energy: 0.741739378238648
Energy: 0.7374806290356543
Energy: 0.7390477258710033
Energy: 0.741403459861145
Energy: 0.7365266183069268
Energy: 0.7392943194559009
Energy: 0.6733982207054506
Energy: 0.7443472463445739
Energy: 0.7419844733597969
Energy: 0.7050697294055274
Energy: 0.7344242136502818
Energy: 0.7065797268202585
Energy: 0.6803389028818568
Energy: 0.7362428198749033
Energy: 0.7288308648609481
Energy: 0.6806191144304432
Energy: 0.7314892114425453
Energy: 0.7285716352334094
Energy: 0.6865917382650961
Energy: 0.6964486318556758
Energy: 0.6969100593504202
Energy: 0.6944596166763929
Energy: 0.7299697454740197
Energy: 0.6967872509470184
Energy: 0.6839620270622292
Energy: 0.6841287272373793
Energy: 0.6938306773134967
Energy: 0.6843351778213576
Energy: 0.6840275128445251
Energy: 0.6932402151153223
Energy: 0.6899291428362015
Energy: 0.6877046424302561
Energy: 0.6881493892705688
Energy: 0.6907549423696545
Energy: 0.6888224511738462
Energy: 0.6894695848650952
Energy: 0.685820496529379
Energy: 0.6889066487208768
Energy: 0.6883707772889756
Energy: 0.6858815789360702
Energy: 0.6922019209139416
Energy: 0.6881456399275578
Energy: 0.693658563570233
Energy: 0.6912262090657185
Energy: 0.6845338362356691
Energy: 0.6938774911274183
Energy: 0.6861669053841253
Energy: 0.6844068362781797
Energy: 0.7330525135872689
Energy: 0.7013996750935502
Energy: 0.6955015622008361
Energy: 0.698088687983754
Energy: 0.6936813006253522
Energy: 0.6960895802492139
Energy: 0.7355329530298303
Energy: 0.6956846188559939
Energy: 0.6955770615036303
Energy: 0.7364833099220592
Energy: 0.6970105854578266
Energy: 0.695842491796626
Energy: 0.7382384948030705
Energy: 0.6948463631558495
Energy: 0.7368489243113575
Energy: 0.7399322020249278
Energy: 0.6950175813439342
Energy: 0.7384319319452382
Energy: 0.9220292650079847
Energy: 0.7341716611419269
Energy: 0.7344489006775125
Energy: 0.7405549376297338
Energy: 0.6897676301507716
Energy: 0.7357438147363176
Energy: 0.6920394235104692
Energy: 0.8475497020152492
Energy: 0.7376115711537333
Energy: 0.7287997272621773
Energy: 0.8439864451686593
Energy: 0.7397666255245382
Energy: 0.7267483541987889
Energy: 0.8219761321861853
Energy: 0.7447307371145837
Energy: 0.7283822020337318
Energy: 0.850642097288758
Energy: 0.7426296536474054
Energy: 0.7294536451720876
Energy: 0.8415348000822359
Energy: 0.8416861392358528
Energy: 0.7408015967835699
Energy: 0.8452711211522973
Energy: 0.783480395125235
Energy: 0.9378773028968909
Energy: 0.7351922132557
Energy: 0.8162950975387119
Energy: 0.8553657027121827
Energy: 0.7349272280298115
Energy: 0.8336205399337405
Energy: 0.9861722200869728
Energy: 0.789012143621952
Energy: 0.7388645032328446
Energy: 0.8445946002740627
Energy: 0.7393929208673562
Energy: 0.8474600876900957
Energy: 0.6992557656740913
Energy: 0.8639452204777379
Energy: 0.8469099450776283
Energy: 0.7007857171437526
Energy: 0.8454495965501827
Energy: 0.8192175702849285

minimum gb energy = 0.6733982207054506 eV
minimum distance =  2.57073232140621 Angstroms
sigma value = 57


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

Energy: 0.6399475395243827
Energy: 0.927512779673695
Energy: 0.7633531898106146
Energy: 0.6701784177690552
Energy: 1.0853115620207112
Energy: 0.7647779702052153
Energy: 0.8651794405446107
Energy: 0.7104427287294164
Energy: 0.6978820949795002
Energy: 0.8231805844425301
Energy: 0.7087140618073302
Energy: 0.7005580872071046
Energy: 0.9340840421891169
Energy: 0.668739106220733
Energy: 0.6692368002764557
Energy: 0.8235000726433734
Energy: 0.6686550136851668
Energy: 0.7405848152574575
Energy: 0.8018034577618518
Energy: 0.6681690412615707
Energy: 0.7416710803707259
Energy: 0.7129877541919711
Energy: 0.6454160463754426
Energy: 0.7440769891615497
Energy: 0.7016206821981447
Energy: 0.7101091457199932
Energy: 0.7026259403365029
Energy: 0.7020430643524695
Energy: 0.7119501617635123
Energy: 0.7003130365970628
Energy: 0.6534222875264288
Energy: 0.710793148315488
Energy: 0.6679181934158861
Energy: 0.6436110221355993
Energy: 0.709140202654779
Energy: 0.6683670703165188
Energy: 0.6562468323139193
Energy: 0.7163425017071877
Energy: 0.7090940019635682
Energy: 0.6550875682877261
Energy: 0.7125046631807782
Energy: 0.6582332926716085
Energy: 0.8419516303313569
Energy: 0.6382923685567422
Energy: 0.6385488221556527
Energy: 0.6543243395753642
Energy: 0.6382203199342178
Energy: 0.6531193301456268
Energy: 0.659649848113086
Energy: 0.6484264529677882
Energy: 0.6563740754991046
Energy: 0.6595492886987937
Energy: 0.6330904749934406
Energy: 0.6560770843356694
Energy: 0.65563986172183
Energy: 0.6423947580634508
Energy: 0.6417378197443453
Energy: 0.6557439243589422
Energy: 0.6420918136104723
Energy: 0.6428068470244213
Energy: 0.6376671947691563
Energy: 0.6315389401252658
Energy: 0.6335836859764931
Energy: 0.6304994869700108
Energy: 0.6469427620288658
Energy: 0.6337927977258982
Energy: 0.6596173302428666
Energy: 0.6403543123655583
Energy: 0.6316326065012559
Energy: 0.6498054810565741
Energy: 0.6362769619279064
Energy: 0.6343695294419053
Energy: 0.6585742920962928
Energy: 0.6362092024667231
Energy: 0.6390239059714021
Energy: 0.6391640186826166
Energy: 0.6398918943353631
Energy: 0.638682336735698
Energy: 0.6331800576899544
Energy: 0.6351991957998104
Energy: 0.6340397946713797
Energy: 0.6348593120311399
Energy: 0.6475943027725463
Energy: 0.6319838526320158
Energy: 0.6315568792937633
Energy: 0.6351991400377854
Energy: 0.6346702243784749
Energy: 0.631882460048743
Energy: 0.6382077589401167
Energy: 0.6337580238588476
Energy: 0.6715795781039563
Energy: 0.655841437424491
Energy: 0.6402937236761415
Energy: 0.6417065970241701
Energy: 0.6667361058303006
Energy: 0.6388248490144098
Energy: 0.633895929564654
Energy: 0.6667269791599341
Energy: 0.6561728292501836
Energy: 0.663643182765414
Energy: 0.6635016151376775
Energy: 0.6600335747561571
Energy: 0.6352541670956332
Energy: 0.6610585308298023
Energy: 0.661622249444545
Energy: 0.6362702503576771
Energy: 0.6613914113873334
Energy: 0.6586398975095927
Energy: 0.7102567993199927
Energy: 0.6593203000791438
Energy: 0.6820934829799974
Energy: 0.7121273636257286
Energy: 0.6618971300479886
Energy: 0.7091084123185456
Energy: 0.881425142924631
Energy: 0.666534738105861
Energy: 0.6663623630501294
Energy: 0.7091385175924083
Energy: 0.6646452966690652
Energy: 0.6977214644710121
Energy: 0.8806302696678833
Energy: 0.7120083259729602
Energy: 0.6716255588873845
Energy: 0.7086702154996808
Energy: 0.7107694781291908
Energy: 0.7158220860046246
Energy: 0.632892090685958
Energy: 0.8283920401925959
Energy: 0.7089861896288018
Energy: 0.6551679176607836
Energy: 0.8256553175345623
Energy: 0.6980563778006432
Energy: 0.6605577982534406
Energy: 0.8219310725286452
Energy: 0.8098664841841661
Energy: 0.6619442974182936
Energy: 0.8191785625104888
Energy: 0.8092342908352715
Energy: 0.8758617219956439
Energy: 0.7145824384826406
Energy: 0.7008378390188491
Energy: 0.7101365337363998
Energy: 0.7021203640606136
Energy: 0.700660345257733
Energy: 0.9391232879785626
Energy: 0.6996306652145352
Energy: 0.7051436400248385
Energy: 0.7989799421632378
Energy: 0.6998488943669335
Energy: 0.7862767122145021
Energy: 0.933783016110739
Energy: 0.8224502760374321
Energy: 0.8085927148923945
Energy: 0.8191452261641782
Energy: 0.8193972775614315
Energy: 0.7130123395896247
Energy: 0.6383236216899808
Energy: 0.7811435219498797
Energy: 0.7466140148231315
Energy: 0.6720856768807614
Energy: 0.7868143963869914
Energy: 0.7118718505783097

minimum gb energy = 0.6304994869700108 eV
minimum distance =  2.58378230423052 Angstroms
sigma value = 43


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

Energy: 0.5562309026179215
Energy: 0.7591294157896309
Energy: 0.6841196524270414
Energy: 0.577431171927168
Energy: 0.7643709460478564
Energy: 0.6392293721392734
Energy: 0.7553431844901474
Energy: 0.6022769116991761
Energy: 0.6026144939939638
Energy: 0.7220194370756716
Energy: 0.6267469175200021
Energy: 0.5998342970408408
Energy: 0.8077231736695755
Energy: 0.5633249490348354
Energy: 0.5882682252044832
Energy: 0.683693112247153
Energy: 0.5632319599641485
Energy: 0.5903721262712037
Energy: 0.7108988267069484
Energy: 0.5876136606312493
Energy: 0.6019470389466017
Energy: 0.627949255266645
Energy: 0.6000847815384189
Energy: 0.6680700018038145
Energy: 0.6369719108700294
Energy: 0.6262262401090029
Energy: 0.601968448440257
Energy: 0.555028187331515
Energy: 0.6408195662700874
Energy: 0.5995619177421216
Energy: 0.5387923652969714
Energy: 0.6383587830416426
Energy: 0.5821971973650272
Energy: 0.5462971289222209
Energy: 0.6377901158617305
Energy: 0.5659714599557745
Energy: 0.74070693086398
Energy: 0.6376861865556057
Energy: 0.6378238203445615
Energy: 0.5671555628357146
Energy: 0.6441679747239835
Energy: 0.5667587595153093
Energy: 0.7434165771048421
Energy: 0.5418400041687963
Energy: 0.5545747186109866
Energy: 0.5654980549532586
Energy: 0.5412751936859026
Energy: 0.5541265339217326
Energy: 0.5926391909795324
Energy: 0.5537363459043337
Energy: 0.5896458383208751
Energy: 0.5941520635676505
Energy: 0.5492169509052279
Energy: 0.5896169611332756
Energy: 0.5720165944055562
Energy: 0.5465895636901249
Energy: 0.5466672740192946
Energy: 0.5901724968205316
Energy: 0.5472167551510418
Energy: 0.5465198557689767
Energy: 0.5343229204489719
Energy: 0.5607014878299034
Energy: 0.5440363922927545
Energy: 0.5367060069397116
Energy: 0.560945330361089
Energy: 0.5385596037128147
Energy: 0.5943784694950428
Energy: 0.5606821303661336
Energy: 0.5607239607961064
Energy: 0.5414280604964459
Energy: 0.5605039308689644
Energy: 0.5416188638546128
Energy: 0.5925091767724222
Energy: 0.5539446064059229
Energy: 0.5784210942047667
Energy: 0.5668704495259963
Energy: 0.554075475977065
Energy: 0.5416066274115131
Energy: 0.5442421730056874
Energy: 0.5390742596881166
Energy: 0.544150469245189
Energy: 0.5456499651915379
Energy: 0.5364189831220715
Energy: 0.543769588401753
Energy: 0.5441735715800745
Energy: 0.5328520962952558
Energy: 0.5322697894505654
Energy: 0.5440408765067639
Energy: 0.5332388550016401
Energy: 0.5320805280122958
Energy: 0.5377221744910887
Energy: 0.5362153396818136
Energy: 0.533518017316761
Energy: 0.5303377016778308
Energy: 0.5361474601881122
Energy: 0.5296933947588237
Energy: 0.5470822954920412
Energy: 0.5360929340941993
Energy: 0.5364184104997131
Energy: 0.544426481806146
Energy: 0.5360244076627458
Energy: 0.5360774547239414
Energy: 0.5656432292978599
Energy: 0.5354522105914543
Energy: 0.5357286092116799
Energy: 0.5651809185903703
Energy: 0.551434703271613
Energy: 0.5355492931484441
Energy: 0.5363556102646062
Energy: 0.5426005374543926
Energy: 0.5362627609003562
Energy: 0.5372175699563515
Energy: 0.5445535126889121
Energy: 0.5361784773644706
Energy: 0.6015724694094479
Energy: 0.5415031055765468
Energy: 0.5413896357486291
Energy: 0.6026009127484209
Energy: 0.5729284416072675
Energy: 0.5413375910309417
Energy: 0.5637021628051998
Energy: 0.5438278114570074
Energy: 0.5441354974356235
Energy: 0.5415784132142091
Energy: 0.5437724938902619
Energy: 0.5413272313048285
Energy: 0.5615990847921644
Energy: 0.5440126305558046
Energy: 0.5464540792267659
Energy: 0.5345773105861876
Energy: 0.5441493668753213
Energy: 0.5332945929143389
Energy: 0.5607815023195257
Energy: 0.536494787271599
Energy: 0.536238561993766
Energy: 0.5606797937886187
Energy: 0.5371113255211825
Energy: 0.5361295412929388
Energy: 0.5611308060585574
Energy: 0.5494570411174126
Energy: 0.5604746972012655
Energy: 0.5626063704433251
Energy: 0.5433770677586451
Energy: 0.5604748847817281
Energy: 0.7232717602599634
Energy: 0.5596854272541472
Energy: 0.5691038275763634
Energy: 0.5445577915029991
Energy: 0.5359971034726947
Energy: 0.5500248517583244
Energy: 0.6729056607462733
Energy: 0.5900128678764005
Energy: 0.5898252935773216
Energy: 0.5457602457070238
Energy: 0.5900058527242478
Energy: 0.5453829684950957
Energy: 0.5369424343370451
Energy: 0.5897906307630465
Energy: 0.5659611404808049
Energy: 0.54008136139698
Energy: 0.5896203668807626
Energy: 0.547883420502399
Energy: 0.6061536564870469
Energy: 0.5689627195991799
Energy: 0.5686790157069239
Energy: 0.6067542060487882
Energy: 0.5835348430120709
Energy: 0.5677919254135206
Energy: 0.6412498090359208
Energy: 0.5702930344208608
Energy: 0.6378410838710356
Energy: 0.6424958026880738
Energy: 0.5566578490710757
Energy: 0.637696296976183
Energy: 0.7722309844381315
Energy: 0.5527232795339012
Energy: 0.571171872085623
Energy: 0.6283790017772826
Energy: 0.5520241864993243
Energy: 0.5704723600801389
Energy: 0.7654945129143146
Energy: 0.6261637800868103
Energy: 0.6266105849856248
Energy: 0.6463373387530856
Energy: 0.6262226389103153
Energy: 0.6273736282853928
Energy: 0.5464242468900864
Energy: 0.6747743054909201
Energy: 0.6069002866143388
Energy: 0.5623643187441889
Energy: 0.6906971409403845
Energy: 0.5851359692677115
Energy: 0.7090116876981579
Energy: 0.6825145379606838
Energy: 0.6494229081655174
Energy: 0.5711706694036736
Energy: 0.680358616283822
Energy: 0.6659313061368272
Energy: 0.7679583443028926
Energy: 0.6134544742731729
Energy: 0.627919162832764
Energy: 0.6278242017319212
Energy: 0.5615380181109452
Energy: 0.6900345839376223
Energy: 0.8085212710791382
Energy: 0.5826915110705336
Energy: 0.6350830649645336
Energy: 0.683823993153336
Energy: 0.5839346056528878
Energy: 0.6355131833115713
Energy: 0.7832257212073901
Energy: 0.6386790495424334
Energy: 0.6484867343148785
Energy: 0.7221023892113203
Energy: 0.6800677719583437
Energy: 0.601365723160237

minimum gb energy = 0.5296933947588237 eV
minimum distance =  2.60476551042191 Angstroms
sigma value = 81


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

Energy: 0.28433810094418066
Energy: 0.48633750667216047
Energy: 0.0512545618793028
Energy: 0.05284852327152094
Energy: 0.4850692312528854
Energy: 0.2845277599599278
Energy: 0.5377839919775194
Energy: 0.5580141215223912
Energy: 0.5055400575950129
Energy: 0.5546254875432604
Energy: 0.5050318349811176
Energy: 0.5579772061975995
Energy: 0.5336952932615612
Energy: 0.05124660190385811
Energy: 0.05124397416907559
Energy: 0.5530872397377624
Energy: 0.05125261954932756
Energy: 0.08575053737395771
Energy: 0.5209444965459221
Energy: 0.05137268626206484
Energy: 0.05120381982742647
Energy: 0.5201540884457112
Energy: 0.05125258920919127
Energy: 0.08518899581025566
Energy: 0.08468113926937743
Energy: 0.5509006088350265
Energy: 0.578926253146575
Energy: 0.08555004649947386
Energy: 0.5504677928342245
Energy: 0.5505091328851308
Energy: 0.0519825203845246
Energy: 0.5162798821664856
Energy: 0.05130351766809435
Energy: 0.05312762084715448
Energy: 0.5160384884964915
Energy: 0.05138564927547544
Energy: 0.5551114784877824
Energy: 0.5053319853619048
Energy: 0.5583094497675072
Energy: 0.554229005954326
Energy: 0.5580545943400183
Energy: 0.5161038121341962
Energy: 0.5551894389835099
Energy: 0.05123178642863261
Energy: 0.051420326688860436
Energy: 0.5550914186135779
Energy: 0.051092468064971266
Energy: 0.05124899843430242
Energy: 0.5021232090027978
Energy: 0.05144594000574169
Energy: 0.08614330463137497
Energy: 0.5207654446979053
Energy: 0.05128359925081749
Energy: 0.08643177518215624
Energy: 0.28438152654556254
Energy: 0.583907283896939
Energy: 0.538708510221975
Energy: 0.05130714995148677
Energy: 0.538753828439679
Energy: 0.5838568045204504

minimum gb energy = 0.051092468064971266 eV
minimum distance =  2.62475592863588 Angstroms
sigma value = 3


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

Energy: 0.6774036478701856
Energy: 0.6642678463772204
Energy: 0.6649308952255701
Energy: 0.6342978220430804
Energy: 0.6634593031915544
Energy: 0.6126466148882835
Energy: 0.6782210480151416
Energy: 0.6607265970823367
Energy: 0.6603679543522075
Energy: 0.6611916053161337
Energy: 0.6625201283568131
Energy: 0.6151176105074185
Energy: 0.6832684517302368
Energy: 0.6321339508941517
Energy: 0.6319426804754623
Energy: 0.6588374014444209
Energy: 0.6322473215547512
Energy: 0.6261976073370897
Energy: 0.6337799273755416
Energy: 0.6320363142877465
Energy: 0.6316963012415415
Energy: 0.6334066821254043
Energy: 0.5732305481054498
Energy: 0.6522164767691458
Energy: 0.5807255878779239
Energy: 0.6603637864436528
Energy: 0.614575527563118
Energy: 0.5807688999237784
Energy: 0.6614370200277752
Energy: 0.6142597992660757
Energy: 0.6265335780052786
Energy: 0.6154016417233227
Energy: 0.6263256944496042
Energy: 0.5389064920790354
Energy: 0.6154319158509898
Energy: 0.5730043745087124
Energy: 0.6470478287029455
Energy: 0.5876593501317553
Energy: 0.5887621426091104
Energy: 0.6471595767854545
Energy: 0.5906965310945215
Energy: 0.6435514332368125
Energy: 0.6327500889515372
Energy: 0.6200788901703509
Energy: 0.6188968387862607
Energy: 0.632896885779797
Energy: 0.5948915190403988
Energy: 0.5831609388420981
Energy: 0.5476235452189977
Energy: 0.6195793459492713
Energy: 0.6444784521595445
Energy: 0.5480475744503475
Energy: 0.5447582821781081
Energy: 0.644648194666956
Energy: 0.5495406883355316
Energy: 0.5867038462116991
Energy: 0.586287182041332
Energy: 0.5492738752014777
Energy: 0.5907560553636999
Energy: 0.6024019757536365
Energy: 0.6129447525002596
Energy: 0.5875005373326544
Energy: 0.5870741665259442
Energy: 0.5238696531396314
Energy: 0.522929459096129
Energy: 0.5988237511412436
Energy: 0.5481407115830423
Energy: 0.6288985795359979
Energy: 0.6295059117789357
Energy: 0.5480327324530864
Energy: 0.5472851474843418
Energy: 0.5477909974712513
Energy: 0.5481925005647404
Energy: 0.587017690665254
Energy: 0.6037452587904915
Energy: 0.54842045216632
Energy: 0.5084649507769551
Energy: 0.5498466658652463
Energy: 0.6073257058990068
Energy: 0.5699103007140535
Energy: 0.6062816494560269
Energy: 0.5509842995469539
Energy: 0.5234198824648252
Energy: 0.6061260636716269
Energy: 0.60407346699082
Energy: 0.5220001701623751
Energy: 0.5218288609603865
Energy: 0.6028142496424067
Energy: 0.526523271281652
Energy: 0.5224287584264369
Energy: 0.6025284506745202
Energy: 0.5922966979327353
Energy: 0.5937409750962005
Energy: 0.5920513995776769
Energy: 0.5986453979340581
Energy: 0.594429153773681
Energy: 0.5148098044451004
Energy: 0.5948098900600202
Energy: 0.5920331199478639
Energy: 0.5088513493951571
Energy: 0.5667662232582026
Energy: 0.5089131525017957
Energy: 0.5089528993003297
Energy: 0.5858834409929236
Energy: 0.5860902207946592
Energy: 0.5090563524611226
Energy: 0.5111506650955383
Energy: 0.587923664207085
Energy: 0.5949614654083311
Energy: 0.5517271259979564
Energy: 0.5866268777498734
Energy: 0.5112048135428912
Energy: 0.5110602915522535
Energy: 0.5866227152821781
Energy: 0.6002352764391123
Energy: 0.50863191225475
Energy: 0.5086525690790447
Energy: 0.5996241292815063
Energy: 0.5140027690311888
Energy: 0.5090615118409911
Energy: 0.5991436582725239
Energy: 0.5905815718016709
Energy: 0.5938493064790886
Energy: 0.5985327109393129
Energy: 0.5920417652232923
Energy: 0.5928616693569752
Energy: 0.5273105578944448
Energy: 0.5906311492644647
Energy: 0.5589333644337021
Energy: 0.5222371132820769
Energy: 0.5912030981698728
Energy: 0.522082727555395
Energy: 0.5219106251428474
Energy: 0.6082784122866419
Energy: 0.6083114881646865
Energy: 0.5219376085652461
Energy: 0.5505427222843974
Energy: 0.6038433249157374
Energy: 0.6065299654525079
Energy: 0.5489936671377101
Energy: 0.5498435612201539
Energy: 0.5646041435878849
Energy: 0.5483225420962685
Energy: 0.5931980174059827
Energy: 0.5701085890441179
Energy: 0.5479538747349901
Energy: 0.5477633739039247
Energy: 0.5692752469752683
Energy: 0.5500081155016051
Energy: 0.5484754651594713
Energy: 0.5231495570788488
Energy: 0.6094809952366789
Energy: 0.6093744507701724
Energy: 0.5234923156814608
Energy: 0.5890144419036015
Energy: 0.6248354486158828
Energy: 0.5908833540736214
Energy: 0.6093355744306781
Energy: 0.6099056842259878
Energy: 0.5893370357872584
Energy: 0.6265221428416433
Energy: 0.5867281229552798
Energy: 0.5618630779197473
Energy: 0.5996353256616336
Energy: 0.5996362372086049
Energy: 0.5618247616311767
Energy: 0.6009087620246145
Energy: 0.6482587139978827
Energy: 0.6191386486395672
Energy: 0.6339725609257849
Energy: 0.6072714385689055
Energy: 0.530514672782194
Energy: 0.6336722575799548
Energy: 0.5576184322063157
Energy: 0.5880922225627101
Energy: 0.6349506071768394
Energy: 0.5876011324315551
Energy: 0.5880265122956102
Energy: 0.6364151208056549
Energy: 0.6465616338792548
Energy: 0.6319338773112546
Energy: 0.6284712869912648
Energy: 0.6271303254680652
Energy: 0.6319475624167613
Energy: 0.5730240834833602
Energy: 0.6024949165564497
Energy: 0.6884220897104023
Energy: 0.628062365127893
Energy: 0.6522339077827173
Energy: 0.6585453662784101
Energy: 0.5576278123067491
Energy: 0.6334850349351778
Energy: 0.5969321070939797
Energy: 0.6329810198413252
Energy: 0.6324649784390864
Energy: 0.5969992840174919
Energy: 0.6382129809084559
Energy: 0.6314571190405154

minimum gb energy = 0.5084649507769551 eV
minimum distance =  2.55425047055605 Angstroms
sigma value = 67


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

Energy: 0.8001428088911489
Energy: 0.7928744538225638
Energy: 0.781573976473265
Energy: 0.6565510084002939
Energy: 0.795487086602867
Energy: 0.7857241769391343
Energy: 0.8107760061201297
Energy: 0.7959433826411252
Energy: 0.784191015759924
Energy: 0.784420593466855
Energy: 0.7967755129539799
Energy: 0.7264611749322207
Energy: 0.8126083594638821
Energy: 0.7506780198788292
Energy: 0.7759470504197019
Energy: 0.7863917376051414
Energy: 0.7515832351792809
Energy: 0.7792555106615755
Energy: 0.7417982983145072
Energy: 0.7236976299654841
Energy: 0.7746097238331202
Energy: 0.7427268951428033
Energy: 0.7372379598979675
Energy: 0.7738368196817815
Energy: 0.7354614418703932
Energy: 0.7958564496883846
Energy: 0.7260256133092858
Energy: 0.7351189870351551
Energy: 0.7967591436103715
Energy: 0.7262758573615529
Energy: 0.7428750744496209
Energy: 0.7245018050493344
Energy: 0.7348866625858451
Energy: 0.6781899641073704
Energy: 0.7237296589100424
Energy: 0.6999613428619381
Energy: 0.7437172546369932
Energy: 0.6782304232223318
Energy: 0.6760371143312247
Energy: 0.7449013968941856
Energy: 0.6786154215625975
Energy: 0.6815028328896606
Energy: 0.745057883905105
Energy: 0.642765972938739
Energy: 0.7423998492528591
Energy: 0.7376629954754773
Energy: 0.6431416197328054
Energy: 0.678518454548449
Energy: 0.7480278430979608
Energy: 0.7003737623788711
Energy: 0.7029400397346288
Energy: 0.6424463785974589
Energy: 0.6752025353855265
Energy: 0.7016030868213027
Energy: 0.6405325474446533
Energy: 0.6808548132761872
Energy: 0.675508005741219
Energy: 0.6407150174827326
Energy: 0.6777904514808877
Energy: 0.6761363046706358
Energy: 0.6406656239537206
Energy: 0.7029676885700441
Energy: 0.7445696145088843
Energy: 0.6428769053255395
Energy: 0.7339415802005957
Energy: 0.7456101291978325
Energy: 0.6476139200062458
Energy: 0.7373003945860007
Energy: 0.7372236616037418
Energy: 0.6486652646154649
Energy: 0.7003549706199059
Energy: 0.640475095494254
Energy: 0.6503013626975255
Energy: 0.6414050009967946
Energy: 0.7310413040522321
Energy: 0.6407835520177535
Energy: 0.6445828224155112
Energy: 0.6406797785667366
Energy: 0.7318566550164098
Energy: 0.6954380112735343
Energy: 0.730616057119071
Energy: 0.6428118533940675
Energy: 0.6894593903832085
Energy: 0.7297283143707395
Energy: 0.731279105970439
Energy: 0.6461537466918424
Energy: 0.64069819281422
Energy: 0.7325384364614496
Energy: 0.6427314765231692
Energy: 0.6403278910302457
Energy: 0.7307650025785934
Energy: 0.744447614642721
Energy: 0.7401295654739043
Energy: 0.6470670595728982
Energy: 0.6433743346320081
Energy: 0.7370917895920359
Energy: 0.6825417788190008
Energy: 0.630583832467534
Energy: 0.7304569938087443
Energy: 0.6833791738549131
Energy: 0.6355778035882721
Energy: 0.6750866703201848
Energy: 0.6750601725877489
Energy: 0.7581922115988733
Energy: 0.7601310392719401
Energy: 0.6750893803950645
Energy: 0.7014256094782749
Energy: 0.6756050116252743
Energy: 0.7301669330981958
Energy: 0.6428215901431357
Energy: 0.7007029113417409
Energy: 0.6531072197030154
Energy: 0.6434427693658611
Energy: 0.7449317206316269
Energy: 0.6757995071691207
Energy: 0.7418713655624434
Energy: 0.6812530078461906
Energy: 0.6760910527282659
Energy: 0.7399792034343752
Energy: 0.6791308738391463
Energy: 0.7364657697013672
Energy: 0.700619500252786
Energy: 0.6482519454384771
Energy: 0.7376025621637362
Energy: 0.7423847591288351
Energy: 0.6484650360862827
Energy: 0.8117356956315716
Energy: 0.7425055625428165
Energy: 0.6575503102277724
Energy: 0.785786300727595
Energy: 0.7427264319409181
Energy: 0.6526424682405134
Energy: 0.7713169995363991
Energy: 0.7438748930115467
Energy: 0.7362425790673226
Energy: 0.7710237326867716
Energy: 0.7402527906046372
Energy: 0.6846385715394759

minimum gb energy = 0.630583832467534 eV
minimum distance =  2.55051735590067 Angstroms
sigma value = 33


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

Energy: 1.2185269846246223
Energy: 0.8333009748987675
Energy: 0.8390320281540051
Energy: 0.8474360653262821
Energy: 0.8338582061418984
Energy: 0.8024433382967227
Energy: 0.9138898766357715
Energy: 0.8063754369143076
Energy: 0.8000452859134949
Energy: 0.798959123064523
Energy: 0.7989742100711991
Energy: 0.742138880665845
Energy: 0.9028962960554022
Energy: 0.7406352312604748
Energy: 0.7317392606440452
Energy: 0.8047248287309519
Energy: 0.7999089350668371
Energy: 0.7324499107966203
Energy: 0.7996028724407723
Energy: 0.7789306044227728
Energy: 0.7320167972304099
Energy: 0.8001580381855702
Energy: 0.8586338479776321
Energy: 0.7330868703125094
Energy: 0.7976796532073741
Energy: 0.8056773745014185
Energy: 0.8064936410606104
Energy: 0.798009867302892
Energy: 0.8062863910931815
Energy: 0.7337886997883903
Energy: 0.7305405201063392
Energy: 0.736885346998338
Energy: 0.734111022112189
Energy: 0.7368314731145599
Energy: 0.7362468114228157
Energy: 0.7736822301137005
Energy: 0.7982528637950121
Energy: 0.7345487979310397
Energy: 0.7343644632903467
Energy: 0.7981633542571841
Energy: 0.7347876468264309
Energy: 0.7404719951497803
Energy: 0.7992415257850773
Energy: 0.731760530258024
Energy: 0.7413807081968854
Energy: 0.7993888361764103
Energy: 0.7370595265323752
Energy: 0.799199725177085
Energy: 0.7775848873672465
Energy: 0.7476475780609791
Energy: 0.7406035181055691
Energy: 0.7425689342165787
Energy: 0.7332286255683179
Energy: 0.8393239689926683
Energy: 0.7793706974331946
Energy: 0.7327967574706885
Energy: 0.7326048025299299
Energy: 0.7792796158369095
Energy: 0.7345994483462487
Energy: 0.732827125820795
Energy: 0.7759526773463713
Energy: 0.7347421876581899
Energy: 0.8230166625397659
Energy: 0.7360517315626374
Energy: 0.779184002765249
Energy: 0.8221414567310557
Energy: 0.7321896441695496
Energy: 0.7338506628788739
Energy: 0.8221177384769355
Energy: 0.7322343170055442
Energy: 0.7501971498883596
Energy: 0.7322480897013458
Energy: 0.7322545420339683
Energy: 0.777765293728763
Energy: 0.7785948539641468
Energy: 0.7322212100986457
Energy: 0.7424011437466423
Energy: 0.7325402368526578
Energy: 0.712065239655071
Energy: 0.7408933989484614
Energy: 0.776624135462043
Energy: 0.7169478992006684
Energy: 0.7760669171001574
Energy: 0.8172919148791702
Energy: 0.7130524056426396
Energy: 0.8043760563131495
Energy: 0.7993161055004077
Energy: 0.7134621866044121
Energy: 0.8007492135031169
Energy: 0.7407355292053085
Energy: 0.7435227861760444
Energy: 0.7633400875001566
Energy: 0.7126895696007642
Energy: 0.7436287456126598
Energy: 0.7496553767716866
Energy: 0.7404193730162807
Energy: 0.9010177894447388
Energy: 0.7491150960965645
Energy: 0.7839449484267249
Energy: 0.8060002815052655
Energy: 0.7540045072660067
Energy: 0.7854599886230028
Energy: 0.9117970450837829
Energy: 0.797715683812983
Energy: 0.7976437694366723
Energy: 0.800556396984455
Energy: 0.7998450624908827
Energy: 0.7370661803365015
Energy: 0.8800742389597779
Energy: 0.8042932936410371
Energy: 0.7510911108761265
Energy: 0.755526613845313
Energy: 0.8034193370796943
Energy: 0.783063821969867
Energy: 0.8407190110713079
Energy: 0.8055375081546183
Energy: 0.8061329789530378
Energy: 0.8411853159660543
Energy: 0.8057196153050424
Energy: 0.805030398661837
Energy: 0.9088540839859116
Energy: 0.7674194310124052
Energy: 0.7313122987865118
Energy: 0.8056074652035782
Energy: 0.8081820415947879
Energy: 0.7322094120865719
Energy: 0.7986894906268257
Energy: 0.7378706698854991
Energy: 0.731811948814022
Energy: 0.7987386732662891
Energy: 0.7409652097467528
Energy: 0.7326236140510116
Energy: 0.7982183368647843
Energy: 0.8052841963493792
Energy: 0.7408309294417726
Energy: 0.7978477846766994
Energy: 0.8051721089355909
Energy: 0.743221693531312
Energy: 0.7301691080455535
Energy: 0.7362898286645718
Energy: 0.7370510825755152
Energy: 0.7321074786149284
Energy: 0.7358866932966209
Energy: 0.832112221903476
Energy: 0.7980503699169254
Energy: 0.734578474741784
Energy: 0.7345109043432142
Energy: 0.7985237347356549
Energy: 0.7347558703072427
Energy: 0.7327747109834977
Energy: 0.8042375965153122
Energy: 0.7318807400834191
Energy: 0.7416126169522027
Energy: 0.7996197170738046
Energy: 0.7362829433635953
Energy: 0.7418251906672264
Energy: 0.7758725321617359
Energy: 0.7329275865084641
Energy: 0.743845820518553
Energy: 0.7777539957888225
Energy: 0.7514133919283418
Energy: 0.8401742816600859
Energy: 0.779817595078713
Energy: 0.732798857563982
Energy: 0.7326125586121425
Energy: 0.7800341199606896
Energy: 0.7353974665874062
Energy: 0.7329151976780796
Energy: 0.7763002103897532
Energy: 0.7785904270768506
Energy: 0.8244269439668744
Energy: 0.7374000388547738
Energy: 0.7348697038919567
Energy: 0.8249729838879266
Energy: 0.7322460466918784
Energy: 0.734028023450048
Energy: 0.7944722054541157
Energy: 0.7323139394086707
Energy: 0.7509151912422017
Energy: 0.7325796119399615
Energy: 0.7386222922920891
Energy: 0.7773757033302412
Energy: 0.7329861495728991
Energy: 0.7322007163277416
Energy: 0.7421019310194101
Energy: 0.7326587017646546
Energy: 0.7173232804762041
Energy: 0.7420202672107682
Energy: 0.7771494386739346
Energy: 0.7166541773754586
Energy: 0.776240683297738
Energy: 0.8218093010148556
Energy: 0.7129706771595132
Energy: 0.799437412258786
Energy: 0.7991377290559276
Energy: 0.713764799347316
Energy: 0.8012478658841204
Energy: 0.7409795455248386
Energy: 0.743475063826716
Energy: 0.7508550789314395
Energy: 0.7410434799912866
Energy: 0.743452736109334
Energy: 0.7493623320568503
Energy: 0.7410842127507988
Energy: 0.9415480285121121
Energy: 0.7490060030031811
Energy: 0.784273976016767
Energy: 0.9414125794565302
Energy: 0.7182552810800092
Energy: 0.7857168081916216
Energy: 0.9024964077330362
Energy: 0.7981840651339983
Energy: 0.797936295520852
Energy: 0.798346214146119
Energy: 0.798714303431932
Energy: 0.742939866544678
Energy: 0.8793046464663704
Energy: 0.8039872539876814
Energy: 0.7507023265843565
Energy: 0.7525332993282333
Energy: 0.8034863684931212
Energy: 0.712619739593445

minimum gb energy = 0.712065239655071 eV
minimum distance =  2.56082824619225 Angstroms
sigma value = 41


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

Energy: 1.157278148706502
Energy: 0.8904795581760137
Energy: 0.9512583976439241
Energy: 0.8384580477133532
Energy: 0.8892968361302397
Energy: 0.9526069366029177
Energy: 1.0016572379778927
Energy: 0.8901531950653485
Energy: 0.8914829280596319
Energy: 0.8874096199672897
Energy: 0.8898039636004571
Energy: 0.8872743680654883
Energy: 1.030434511281955
Energy: 0.8448077512048567
Energy: 0.8399908404353877
Energy: 0.8878205528186174
Energy: 0.8731393844296844
Energy: 0.8839258265517984
Energy: 0.8909039721278845
Energy: 0.8438213938577547
Energy: 0.8405818077177672
Energy: 0.886588962517496
Energy: 0.8935985016118863
Energy: 0.8730758576556096
Energy: 0.8714413864620199
Energy: 0.8876779921146086
Energy: 0.8867329361186856
Energy: 0.8715690060368485
Energy: 0.8898574732941783
Energy: 0.8425974595804988
Energy: 0.8910437773291848
Energy: 0.8930458027693288
Energy: 0.8586412363225606
Energy: 0.8840659623775137
Energy: 0.8928954540008642
Energy: 0.8416863640214325
Energy: 0.8711613974399044
Energy: 0.8588926323231243
Energy: 0.8562826758876956
Energy: 0.8710146853263072
Energy: 0.8441322395593395
Energy: 0.8454392316341595
Energy: 0.8751252941393859
Energy: 0.8425199834106756
Energy: 0.8493771056670478
Energy: 0.8762930167822777
Energy: 0.8434735499920754
Energy: 0.8709880052048302
Energy: 0.9319728414221466
Energy: 0.8453663319821346
Energy: 0.8424793146540722
Energy: 0.9346052671489758
Energy: 0.893140149687473
Energy: 0.8417025051720003
Energy: 0.8933152345878524
Energy: 0.877508681506187
Energy: 0.8704449532243729
Energy: 0.8826320366212017
Energy: 0.8726128261522403
Energy: 0.8428299844622416
Energy: 0.8869650687469242
Energy: 0.8726725010404139
Energy: 0.8585920378234091
Energy: 0.886192066921473
Energy: 0.8250570240317174
Energy: 0.8444138294704081
Energy: 1.0105171579371162
Energy: 0.8248756848456748
Energy: 0.8907349172088811
Energy: 1.0108794851249898
Energy: 0.8249696136331275
Energy: 0.8863770329726134
Energy: 1.003148159728194
Energy: 0.8715251152888163
Energy: 0.8891824367661475
Energy: 0.8872852897468841
Energy: 0.8720556974544723
Energy: 0.8591780020293985
Energy: 0.8250529208198396
Energy: 0.8857156942647799
Energy: 0.8262098820688025
Energy: 0.8296539625383547
Energy: 0.8858502932591663
Energy: 0.824597439141723

minimum gb energy = 0.824597439141723 eV
minimum distance =  2.56163152756917 Angstroms
sigma value = 11


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

Energy: 0.9510428802987867
Energy: 1.0013937524892198
Energy: 0.9878420023805212
Energy: 1.0156326901614747
Energy: 1.0022105974709756
Energy: 0.9873394231708548
Energy: 1.142955799681623
Energy: 0.9575258641844482
Energy: 0.956838447753352
Energy: 0.9956908040672491
Energy: 0.9572230850757847
Energy: 0.9575136075947175
Energy: 1.0863358129013216
Energy: 0.9788980973791814
Energy: 0.9806288045856227
Energy: 1.066395014735948
Energy: 0.9467654355617987
Energy: 0.9904508046341691
Energy: 1.0005374112829604
Energy: 0.945149578360598
Energy: 0.9807891713090687
Energy: 0.9939640181839046
Energy: 0.9843469960464748
Energy: 0.9821254941008826
Energy: 0.987110462628512
Energy: 0.9570026151746283
Energy: 0.9569766121393696
Energy: 0.9710630762320573
Energy: 0.9585448058061408
Energy: 0.9571916983963704
Energy: 1.0004301157813231
Energy: 0.9774240429339872
Energy: 0.971291417242339
Energy: 0.9903213721198713
Energy: 0.9772014599212634
Energy: 0.9685055999763327
Energy: 0.9770718341958228
Energy: 0.9669434068059087
Energy: 0.9723305846105906
Energy: 0.97705630311185
Energy: 0.963117807134336
Energy: 0.9738108718013346
Energy: 0.9713321602744789
Energy: 1.0028962535075465
Energy: 0.9575262287735553
Energy: 0.9575353909309142
Energy: 0.9864300783910366
Energy: 0.9568307403016534
Energy: 0.9760519677681697
Energy: 1.0129868351586049
Energy: 0.9841373750328987
Energy: 0.9648998467600699
Energy: 0.9805003319706025
Energy: 0.949517130475969
Energy: 0.9757040928236765
Energy: 1.0108603876039872
Energy: 0.9822442033874694
Energy: 0.9687882081357417
Energy: 1.0118843766271113
Energy: 0.9495016621770046
Energy: 0.9764628623166729
Energy: 0.9739029458936892
Energy: 0.9573926925930396
Energy: 0.9579217987151393
Energy: 0.9717185644068084
Energy: 0.9566109444566989
Energy: 0.960490233023928
Energy: 0.9953586842198658
Energy: 0.9923523219369893
Energy: 0.9615399504584351
Energy: 0.9963441190211221
Energy: 0.9895633722662168
Energy: 0.9574870956888455
Energy: 0.9914353223232383
Energy: 0.9932624697095152
Energy: 0.9567086394343773
Energy: 1.0008846220411596
Energy: 0.9578520278154949
Energy: 0.9723711219152934
Energy: 0.99023375560909
Energy: 1.0024552966513074
Energy: 1.0004239001512094
Energy: 1.0256819906347976
Energy: 0.9929329873818246
Energy: 0.945683050756602
Energy: 0.9969253857547752
Energy: 1.0165128366440397
Energy: 0.9458548307745203
Energy: 0.9797421982123322
Energy: 0.9462831848322089
Energy: 0.9462335227771608
Energy: 1.0183602233892979
Energy: 0.9462686077871957
Energy: 0.9478183440078797
Energy: 0.9802864600654233
Energy: 0.9461567631401082
Energy: 0.9462457096289095
Energy: 0.9458194130034905
Energy: 0.9875626872190895
Energy: 0.9466303016908051
Energy: 0.97963433946825
Energy: 0.9952877193421861
Energy: 0.9831426024070037
Energy: 0.9779445181906276
Energy: 1.0091547988020908
Energy: 0.9606783513775158
Energy: 0.9895539103676825
Energy: 0.9734599277489816
Energy: 0.964321781953813
Energy: 0.9606949199627562
Energy: 0.9616052531914567
Energy: 0.9644446456887179
Energy: 0.9817265701037724
Energy: 0.978931702637033
Energy: 0.9928514153581157
Energy: 0.9988595732990647
Energy: 1.0095854885389364
Energy: 0.960442611701671
Energy: 0.9484285977952428
Energy: 0.9918378231578013
Energy: 1.0461341015250953
Energy: 0.9484021011414754
Energy: 0.9882272217740223
Energy: 1.0014548314975806
Energy: 0.990279034023099
Energy: 0.9795840332379939
Energy: 0.970485931180766
Energy: 0.9812912088897193
Energy: 0.979487150274759
Energy: 0.955538389641684
Energy: 0.9603018245262468
Energy: 0.9788380067052288
Energy: 0.9561144740332285
Energy: 0.9816621550031781
Energy: 0.9893786172081741
Energy: 0.9786795384093177
Energy: 0.9855237024928509
Energy: 0.9936107821676335
Energy: 1.029985895784046
Energy: 0.9651189213986633
Energy: 0.9743477272744577
Energy: 0.9736476700010313
Energy: 0.9654965833318072
Energy: 0.9787965960219769
Energy: 0.9936498050992079
Energy: 0.9822932068625655
Energy: 0.9834063270797639
Energy: 0.978612238135167
Energy: 0.955159723885639
Energy: 0.9605448931744524
Energy: 1.0312217982728644
Energy: 0.9675152871339396
Energy: 0.96666904793738
Energy: 0.9602922850573791
Energy: 0.9463156290603006
Energy: 1.0183944475187245
Energy: 1.040870124671827
Energy: 0.9454195373672268
Energy: 0.9457892092518835
Energy: 0.979398935758132
Energy: 0.9487275257243322
Energy: 0.9463892851209247
Energy: 1.0411566569393642
Energy: 0.9761191432008604
Energy: 0.9462691065008026
Energy: 0.9719061237140774
Energy: 0.9458323316162107
Energy: 0.947089442585517
Energy: 1.0354836018052578
Energy: 0.9864306576617637
Energy: 0.9969272943306805
Energy: 1.0405287681228392
Energy: 0.9587903877092777
Energy: 0.9885165209582696
Energy: 1.1312152042146382
Energy: 0.9568739595692812
Energy: 0.9569978623798607
Energy: 0.9829682012372191
Energy: 0.9572687107125328
Energy: 0.9749770420768719
Energy: 0.9515521655096385
Energy: 0.9585440722745759
Energy: 0.9962706400101248
Energy: 0.9493478555831382
Energy: 0.9628773233565583
Energy: 0.9892802962081603

minimum gb energy = 0.945149578360598 eV
minimum distance =  2.55269446878177 Angstroms
sigma value = 57


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

Energy: 1.3689997979684279
Energy: 0.9661241867261448
Energy: 0.9673961273797854
Energy: 1.0864318193008211
Energy: 0.9649365431265811
Energy: 0.9654668524061069
Energy: 1.0403346790275052
Energy: 0.9463323262971962
Energy: 0.9237060631848719
Energy: 0.9418190252564012
Energy: 0.9465978952702594
Energy: 0.9257137059597805
Energy: 1.0037472569445358
Energy: 0.9402444496061544
Energy: 0.9388925838746038
Energy: 1.0037742028940189
Energy: 0.9392559318328187
Energy: 0.9549479358129486
Energy: 0.9416242775972673
Energy: 0.9530724711863258
Energy: 0.9233721627014082
Energy: 0.9431763234877519
Energy: 0.9603096777835295
Energy: 0.9241142790726854
Energy: 0.9410670021476366
Energy: 0.9490793568973519
Energy: 0.9537574600483297
Energy: 0.9415299558441388
Energy: 0.9465840628657292
Energy: 0.9250615794986383
Energy: 0.9412363199650803
Energy: 0.9416004877071897
Energy: 0.94303339992648
Energy: 0.9428406328599402
Energy: 0.9408041536808163
Energy: 0.9549426264025621
Energy: 1.0018402070732584
Energy: 0.9911294889824809
Energy: 0.9968653013797232
Energy: 1.0030082961870905
Energy: 0.9864932361224575
Energy: 0.9428783899224075
Energy: 1.042876113677681
Energy: 0.9523092473639697
Energy: 0.9249909680468094
Energy: 0.9445858149748255
Energy: 0.967462553560553
Energy: 0.9238002800898658
Energy: 0.9527523692265751
Energy: 0.9489107708223247
Energy: 0.9724853041896973
Energy: 0.9052978186340533
Energy: 0.9467335523205785
Energy: 0.902807852813461
Energy: 0.9506033551860775
Energy: 0.9507566195338822
Energy: 0.9747108044962726
Energy: 0.9050015074504724
Energy: 1.0436999180643751
Energy: 0.9026431848358991
Energy: 1.042263496381789
Energy: 0.9545304354037866
Energy: 0.92478502993207
Energy: 0.9448719191376437
Energy: 0.943679095981041
Energy: 0.9239428566988581
Energy: 0.9910196007685981
Energy: 0.9813044213469394
Energy: 0.9819943021530102
Energy: 0.9436456109448682
Energy: 0.9375739805153369
Energy: 0.9437841074086298
Energy: 0.9407930829555884
Energy: 0.9455765408521096
Energy: 0.9273032927102438
Energy: 0.9419380699102683
Energy: 0.9431751005277554
Energy: 0.9243627060599735
Energy: 0.9416690197534572
Energy: 1.00209158956294
Energy: 1.0032757391028984
Energy: 0.9436768476737829
Energy: 1.00429990555576
Energy: 0.9458456301128813
Energy: 0.9649830401877533
Energy: 0.9754988481970367
Energy: 0.9531863124275656
Energy: 0.9661651901235836
Energy: 0.969199040692119
Energy: 0.9235452567015835
Energy: 1.0414179054255233
Energy: 0.9756278345568818
Energy: 0.9853433616018489
Energy: 1.0437057122839843
Energy: 0.9689041933939254
Energy: 0.9552462348656376
Energy: 0.9026500128254978
Energy: 0.9467286762893322
Energy: 0.9237098236797567
Energy: 0.9022259842440962
Energy: 0.9463780608994509
Energy: 0.9248365798716013

minimum gb energy = 0.9022259842440962 eV
minimum distance =  2.56382514119662 Angstroms
sigma value = 9


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

Energy: 1.6732927747779862
Energy: 1.063000892826707
Energy: 0.9960426509058035
Energy: 1.0015240013354045
Energy: 1.0628131992472396
Energy: 1.0723649920984246
Energy: 1.0983670297725892
Energy: 1.0103085521132096
Energy: 1.0348515203956352
Energy: 1.0107790496967586
Energy: 1.0183313589440843
Energy: 1.0130334183588332
Energy: 1.0099675147318936
Energy: 1.012659832117067
Energy: 0.977483711353905
Energy: 1.0108857173776897
Energy: 1.0536997855603245
Energy: 0.9927638364411344
Energy: 0.9911410206874793
Energy: 1.006838400362285
Energy: 1.0074306284647458
Energy: 0.9916973725710727
Energy: 1.0060013931425875
Energy: 1.0078904805983369
Energy: 1.0630820808548447
Energy: 0.9977387107010596
Energy: 0.9761468755921108
Energy: 1.0657263370681864
Energy: 1.0308055267058047
Energy: 0.970815469029317
Energy: 1.0085239310755276
Energy: 1.025613169010276
Energy: 1.0247959272167395
Energy: 1.0097146581568737
Energy: 1.0069679473267612
Energy: 1.023979280192558
Energy: 0.9886641726714284
Energy: 1.027462745696901
Energy: 0.9926388926646319
Energy: 0.9893673194065309
Energy: 1.0309542564143732
Energy: 0.9956653408404496
Energy: 1.0311200038791317
Energy: 1.0181004287185524
Energy: 1.0266686741972069
Energy: 0.9955921535429971
Energy: 1.018690393528592
Energy: 1.0299466544460276
Energy: 1.0327987278521418
Energy: 0.9988199357544715
Energy: 0.9875221138181989
Energy: 0.9949042406839431
Energy: 1.0157097541485969
Energy: 1.006447136509221
Energy: 1.0342738466685366
Energy: 0.9937279245003643
Energy: 0.9875876247639105
Energy: 0.9945240011674432
Energy: 0.9897384337785385
Energy: 0.9880371338528239
Energy: 1.029633296001416
Energy: 1.0024451308529851
Energy: 1.0028447751509786
Energy: 1.012470815006877
Energy: 1.0180058360213626
Energy: 0.9712460907265935
Energy: 1.0396101267348232
Energy: 1.0088774129215137
Energy: 1.0116544221753796
Energy: 1.0156600710805048
Energy: 1.0118639537150886
Energy: 1.0321801451624915
Energy: 1.065450568151351
Energy: 0.9972423492003489
Energy: 0.9907508570910792
Energy: 1.0182907597371722
Energy: 0.9947479574427168
Energy: 1.0227999300432948
Energy: 1.031362644754635
Energy: 1.0220316943498087
Energy: 1.007957792287781
Energy: 0.9877779771259734
Energy: 0.9972174564988896
Energy: 1.0079990579460378
Energy: 1.0300120529011747
Energy: 0.9994640982049527
Energy: 0.986867529593827
Energy: 1.0312412233118364
Energy: 1.0260096238982317
Energy: 1.0105242091617737
Energy: 1.011513858498743
Energy: 1.0132192304993424
Energy: 0.986899966572999
Energy: 1.0122776180119797
Energy: 1.045924482327467
Energy: 0.987199111407556
Energy: 1.0127915496605133
Energy: 1.0062853827432634
Energy: 1.0377254301073704
Energy: 1.013365580715084
Energy: 1.0061252106802736
Energy: 1.0074491824074943
Energy: 1.0182159519470333
Energy: 1.0205006191121102
Energy: 0.9932003434069767
Energy: 1.0590796794570605
Energy: 1.016356999685359
Energy: 0.977284503182795
Energy: 1.0133147612838553
Energy: 1.0193167049426197
Energy: 1.0072195549176588
Energy: 1.0134961698003617
Energy: 1.0768408222793513
Energy: 1.011852244397764
Energy: 1.0124448365106784
Energy: 1.0495762190813593
Energy: 1.006889912217838
Energy: 1.0132621397343464
Energy: 1.0454665564327958
Energy: 1.0079088999250103
Energy: 1.0213871945644757
Energy: 1.0142487957739241
Energy: 1.0106910409992862
Energy: 0.9929951511929251
Energy: 1.0145137780375317
Energy: 1.0286233276668026

minimum gb energy = 0.970815469029317 eV
minimum distance =  2.53531788651128 Angstroms
sigma value = 27


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

Energy: 1.371546640679976
Energy: 0.9919734309052083
Energy: 0.9900618545729317
Energy: 1.0002785181619902
Energy: 0.9738275735103226
Energy: 1.01872216469365
Energy: 1.1835658278132934
Energy: 0.9862983384801158
Energy: 0.9870646303208099
Energy: 0.9285676541752583
Energy: 0.9866800339888551
Energy: 1.0523809557736095
Energy: 1.0370345133169667
Energy: 1.0547437912983524
Energy: 1.0556064024891751
Energy: 0.9636067274302325
Energy: 1.0393693512050874
Energy: 0.9420305540764745
Energy: 1.0483932870274437
Energy: 1.051482187601307
Energy: 1.0518759106384608
Energy: 1.0453955400589767
Energy: 1.068032058054345
Energy: 0.9766359612216375
Energy: 1.0447623457630182
Energy: 0.9943087180405296
Energy: 1.0040115118802964
Energy: 1.0449209050864419
Energy: 1.048646237197146
Energy: 1.003860815066394
Energy: 1.0904318244095066
Energy: 1.0553916548160798
Energy: 0.9930315321362754
Energy: 1.0903403788738104
Energy: 1.0299394996570426
Energy: 0.9992913999955694
Energy: 0.998467831691472
Energy: 0.9913358609331254
Energy: 1.0008764914491293
Energy: 0.9775784772571257
Energy: 0.9623604852811988
Energy: 0.963207687395043
Energy: 1.0589109413176145
Energy: 1.0376510707972133
Energy: 1.0949016719664997
Energy: 1.059651857296267
Energy: 0.9714526223104127
Energy: 1.0621723645810544
Energy: 1.0281656423752614
Energy: 1.0209508668724254
Energy: 0.9554940341176625
Energy: 0.9937602627794461
Energy: 1.0051404997222149
Energy: 0.926564977959086
Energy: 1.0306510029912417
Energy: 0.9578883047303487
Energy: 0.9422386459943163
Energy: 1.0086653342823246
Energy: 0.9576107397397872
Energy: 0.941061902819241
Energy: 1.0606174451901953
Energy: 1.0936632973834088
Energy: 0.9277902101428926
Energy: 1.061575861080599
Energy: 1.0527455471998026
Energy: 0.9814098942353416
Energy: 0.9283072397759746
Energy: 0.9762097330154225
Energy: 0.9551768477345228
Energy: 0.9296449518612874
Energy: 0.9985133278162193
Energy: 0.927519825164407
Energy: 0.9991196889896836
Energy: 0.9265768332282741
Energy: 0.9271439203113455
Energy: 0.9990654941863363
Energy: 0.9277342315793633
Energy: 0.925982507576642
Energy: 1.014541233739235
Energy: 0.9286745076548059
Energy: 0.9287312769242154
Energy: 1.0132928824648808
Energy: 0.9266007435736889
Energy: 0.9288814793870726
Energy: 0.9288150124038708
Energy: 0.9239972856611269
Energy: 0.925715304980931
Energy: 0.9298418295600471
Energy: 0.9260853555477138
Energy: 0.9274980261448166
Energy: 1.0649956630085735
Energy: 0.9570104412888388
Energy: 0.9947163523706762
Energy: 1.0127240974749523
Energy: 0.9558949198636194
Energy: 1.0090702216436187
Energy: 1.010483929395973
Energy: 0.9856572384420685
Energy: 0.9660842408924971
Energy: 1.0107356869593598
Energy: 0.9968208092556192
Energy: 0.9690101192242861
Energy: 1.104121443684368
Energy: 0.9973727766044835
Energy: 0.9970067210308713
Energy: 1.0209230015086082
Energy: 1.0489609090654537
Energy: 1.0059431612034881
Energy: 1.0481291025437842
Energy: 0.9930292970333267
Energy: 0.9887564495096366
Energy: 1.0492563718604995
Energy: 1.0365046533343532
Energy: 0.9756504318956677
Energy: 1.0028766219096443
Energy: 0.9925239213090217
Energy: 0.9886037027974115
Energy: 1.002284764813541
Energy: 1.0370095913328616
Energy: 0.9618890343621752
Energy: 1.075443739500259
Energy: 1.043420943155564
Energy: 1.0484708380324408
Energy: 1.0069983359187324
Energy: 1.049309047804818
Energy: 1.0004905617402475
Energy: 1.0405841928480897
Energy: 1.0836935542953707
Energy: 1.080341292185653
Energy: 1.0414496549277248
Energy: 1.1184373426742253
Energy: 0.9941331207484424
Energy: 1.0658969734530077
Energy: 1.053591890196342
Energy: 1.05469258847236
Energy: 1.060733917819197
Energy: 0.9984073121683964
Energy: 1.055932259459032
Energy: 1.0016020449001284
Energy: 1.0183002147406153
Energy: 1.0729850450523932
Energy: 0.9261759415244855
Energy: 1.0186480207186526
Energy: 1.0718043168760099
Energy: 1.0827712792288664
Energy: 1.0842595093585574
Energy: 1.080107956801378
Energy: 1.0454108851311437
Energy: 1.0811667941370926
Energy: 0.9904048891049453

minimum gb energy = 0.9239972856611269 eV
minimum distance =  2.55978712916508 Angstroms
sigma value = 19


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

Energy: 1.0619001330455873
Energy: 1.0435108779715792
Energy: 0.9820070298029413
Energy: 1.0194897225608643
Energy: 1.0697978022145371
Energy: 0.9879687842749062
Energy: 1.006470013906
Energy: 0.9992729030806011
Energy: 0.9841969195342765
Energy: 1.0374186138123815
Energy: 0.9997867281686802
Energy: 0.9824733003591726
Energy: 1.006385088438418
Energy: 0.9844902614607941
Energy: 0.9843153592028665
Energy: 1.0038001248376547
Energy: 1.0035984184090325
Energy: 0.9784686863529554
Energy: 0.9991552978372457
Energy: 0.98538021891395
Energy: 0.9827112896404712
Energy: 0.99965903393577
Energy: 0.9850877204820617
Energy: 0.9828116013617899
Energy: 1.0391501736597064
Energy: 1.0059706185387938
Energy: 0.9972219107606055
Energy: 0.9998585198630182
Energy: 1.0052795883212842
Energy: 0.978787288554209
Energy: 0.9995339373265621
Energy: 0.9846592330755798
Energy: 1.0324785121429958
Energy: 0.9998694601043684
Energy: 0.9834443884185164
Energy: 0.9834425510420166
Energy: 1.0221948670236247
Energy: 1.0123384459058045
Energy: 0.9822997921144728
Energy: 1.027933327407621
Energy: 1.0149101751316318
Energy: 0.9932128159121405
Energy: 0.9968278301430586
Energy: 1.0086061907084634
Energy: 0.9821066637219156
Energy: 0.9978491938362598
Energy: 1.017170862779745
Energy: 0.9832489225256843
Energy: 1.0210695000177923
Energy: 0.9928603454242546
Energy: 0.985364599375687
Energy: 0.9829223441511453
Energy: 1.0056571227319298
Energy: 0.9852167518201455
Energy: 1.0386223927005183
Energy: 1.0007142985084543
Energy: 0.9988479257490761
Energy: 1.0236363210345842
Energy: 0.9993520115513583
Energy: 0.9914478105011836
Energy: 1.0027328359114787
Energy: 0.9669591535053598
Energy: 0.9582575402631484
Energy: 1.003016383809787
Energy: 0.9967281142238114
Energy: 1.0000684160837332
Energy: 1.0013940381589954
Energy: 0.9986344514502123
Energy: 1.015453055624508
Energy: 0.995824292023825
Energy: 0.9994112773920314
Energy: 0.9576925786388512
Energy: 1.0348594073156367
Energy: 1.0000930766858123
Energy: 0.993136654729131
Energy: 1.0134677064743627
Energy: 0.998757309277545
Energy: 0.9829881790149774
Energy: 1.0498327431902277
Energy: 0.9946748040520967
Energy: 0.9995129139657649
Energy: 0.9960207507705081
Energy: 0.9924713679128743
Energy: 0.9964961229323507
Energy: 1.0012037956925157
Energy: 0.9950807913411367
Energy: 0.9557943188365339
Energy: 1.0019145815814712
Energy: 0.9964468174710984
Energy: 0.9551616726793855
Energy: 1.0015350133204703
Energy: 1.0000847505162889
Energy: 1.0015886383177477
Energy: 1.0056084025359937
Energy: 0.996011988242749
Energy: 0.9737798574267852
Energy: 1.0246897487917015
Energy: 0.9981698496295794
Energy: 1.0036541860355792
Energy: 0.9963593757150822
Energy: 0.9975291130888201
Energy: 0.9969221956679055
Energy: 1.0255735607659557
Energy: 0.9700026357790247
Energy: 0.974678599127861
Energy: 1.0121160450530338
Energy: 1.002403385403398
Energy: 0.9644614102497175
Energy: 1.0267110687204053
Energy: 1.0073274594257668
Energy: 0.9801937082208276
Energy: 1.028018693194271
Energy: 1.006885093944288
Energy: 0.97451488502698
Energy: 1.0049160541195097
Energy: 0.995468809919812
Energy: 0.9623369816519914
Energy: 1.0058659686205815
Energy: 1.0187703806040291
Energy: 0.9746581064907709
Energy: 0.999284448759547
Energy: 0.9692946989307943
Energy: 0.969241878766053
Energy: 1.0003533658402515
Energy: 0.9886214190153106
Energy: 0.9553174748622525
Energy: 0.9934136232579832
Energy: 0.956950090575967
Energy: 0.9566508966650816
Energy: 0.9951875982169633
Energy: 0.9736814074427936
Energy: 0.9560984514554849
Energy: 1.0123872088558417
Energy: 1.0158916888628564
Energy: 0.9961571164742858
Energy: 1.0110662558146963
Energy: 1.033098010296812
Energy: 0.9917888629430819
Energy: 1.006494781896365
Energy: 0.9891875739458097
Energy: 0.9867350033576145
Energy: 1.0074553133471524
Energy: 0.9878846489769391
Energy: 0.9877148466136622
Energy: 1.0311442609837815
Energy: 0.9578015056925616
Energy: 0.9578519670372577
Energy: 1.0090072935984926
Energy: 1.002412392039126
Energy: 0.955223669046396
Energy: 1.033476820307033
Energy: 0.9998737537877491
Energy: 0.9825773818000613
Energy: 1.0148499366584915
Energy: 0.9981295860343309
Energy: 0.9794915912525586
Energy: 1.0074427505488288
Energy: 0.9833247280608622
Energy: 0.9844724866847346
Energy: 1.0087206112235825
Energy: 0.9824368772574545
Energy: 0.9909756506733398
Energy: 1.00650567675632
Energy: 0.9820709953624281
Energy: 0.9820822862612081
Energy: 1.0034948267291026
Energy: 1.0093456002664813
Energy: 0.9874763044015286
Energy: 1.046104587444786
Energy: 1.0393499496242844
Energy: 1.0386058753938259
Energy: 0.985285422625443
Energy: 1.0372504921590453
Energy: 0.988739182843129

minimum gb energy = 0.9551616726793855 eV
minimum distance =  2.52962297767879 Angstroms
sigma value = 101


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

Energy: 1.4815076483446243
Energy: 0.9834404917064719
Energy: 0.9909453221920479
Energy: 0.9662677578613029
Energy: 0.9811980975226201
Energy: 0.9674429740987218
Energy: 0.998193420464803
Energy: 0.984770175683303
Energy: 0.9629062262890323
Energy: 0.9991409001340257
Energy: 0.9854632836388673
Energy: 0.9835331864645969
Energy: 1.0012955074063303
Energy: 0.9678823696987138
Energy: 0.9656802708837707
Energy: 0.9923877632740788
Energy: 0.9655105434249192
Energy: 0.9648928996746186
Energy: 0.9857645070929538
Energy: 0.978398386264276
Energy: 0.9787460266888127
Energy: 0.9870984103035848
Energy: 0.9488603959542801
Energy: 0.964346896699261
Energy: 0.9907865423625817
Energy: 0.9916885452890691
Energy: 0.96455196905912
Energy: 0.9818464973093122
Energy: 0.9925902386416543
Energy: 0.98079952525718
Energy: 0.9950618541075932
Energy: 0.9636195316379753
Energy: 0.9988419141570378
Energy: 1.013437245892009
Energy: 0.964941401959653
Energy: 0.9975099364610236
Energy: 1.0090088353640108
Energy: 0.9618870287586384
Energy: 0.963337175860831
Energy: 0.9959176555416028
Energy: 0.9606064955962139
Energy: 0.976391173985637
Energy: 0.9802202393707928
Energy: 0.9671280984132663
Energy: 0.9735790554594905
Energy: 0.9805206653879537
Energy: 0.9892082086404063
Energy: 0.9625340396549575
Energy: 0.9667338651655967
Energy: 0.9617813855004906
Energy: 0.9776434685100438
Energy: 0.9642560642678621
Energy: 0.9664446076175247
Energy: 0.9705758600356993
Energy: 0.9790896632921878
Energy: 0.9952051340992195
Energy: 0.9938751725365325
Energy: 0.9629602187333836
Energy: 0.998999803116882
Energy: 0.9909823057025179
Energy: 0.9797624550805913
Energy: 0.9721017576381735
Energy: 0.9316079479554757
Energy: 0.9802379157598164
Energy: 0.9418859852100555
Energy: 0.9739648622547904
Energy: 0.9993425055933599
Energy: 0.9651572133940581
Energy: 0.9713618425274948
Energy: 0.9987460688153462
Energy: 0.9940309174003022
Energy: 0.9794488669720215
Energy: 0.9909627684808873
Energy: 0.9613961587577143
Energy: 0.9622798683513906
Energy: 0.9606938468673157
Energy: 0.9592754764478022
Energy: 0.9622131433571437
Energy: 1.0031518079345274
Energy: 0.96570646847515
Energy: 0.9664059224937193
Energy: 0.9597179886878107
Energy: 0.9825067703671638
Energy: 0.9750138304741804
Energy: 0.9979275396556992
Energy: 0.9642052386505995
Energy: 0.9682823161447276
Energy: 0.998151974070349
Energy: 0.9637294630819647
Energy: 0.9732137610592919
Energy: 0.9985853573382599
Energy: 0.9731214692007752
Energy: 0.9738564570011351
Energy: 0.9612074695383538
Energy: 0.9671074906823915
Energy: 0.9692678761246122
Energy: 0.9843109798210098
Energy: 1.025847650874667
Energy: 0.9856900208656963
Energy: 0.937208739715323
Energy: 0.9938348858745231
Energy: 0.9697247490087773
Energy: 1.0669648549439825
Energy: 0.9821206114189649
Energy: 0.9843496976395119
Energy: 0.9838755920566364
Energy: 0.9854955993316452
Energy: 0.9848820254692772
Energy: 0.9985312161102979
Energy: 0.9674862633070238
Energy: 0.9702517369617543
Energy: 0.9923573079888575
Energy: 0.9651874364725347
Energy: 0.964598708125117
Energy: 0.9830117693559589
Energy: 0.9647331720118761
Energy: 0.9679710549795852
Energy: 0.9840432358745564
Energy: 0.9637160950676972
Energy: 0.9627239610158453
Energy: 0.9897377761342774
Energy: 0.9834754754030732
Energy: 0.9628736284426531
Energy: 0.9883744700755616
Energy: 0.9813808884430248
Energy: 0.9815812176003801
Energy: 1.0021535118952167
Energy: 0.9624411700629297
Energy: 0.9630052657208755
Energy: 1.0039694876614762
Energy: 0.9619753445978866
Energy: 0.968755555420314
Energy: 0.9942406596277753
Energy: 0.9630726812721514
Energy: 0.9650947143741944
Energy: 0.9919626786487121
Energy: 0.9614405128064076
Energy: 0.9605778604637405
Energy: 0.9915493698837065
Energy: 0.9677980765215343
Energy: 0.9660557924005155
Energy: 0.9915981195508603
Energy: 0.9690234429224797
Energy: 0.9856414251761695
Energy: 0.9750161835858283
Energy: 0.9634491052287292
Energy: 0.972433780042345
Energy: 0.9669286065623445
Energy: 0.9603916431019621
Energy: 0.9656312975315802
Energy: 0.9673043235806201
Energy: 0.967349844212433
Energy: 0.9864205768041848
Energy: 0.9643423760926301
Energy: 0.9725656372147882
Energy: 0.9675439909396627
Energy: 0.9606344549636596
Energy: 0.9432469294773805
Energy: 0.9524136818477891
Energy: 0.9611036862779248
Energy: 0.9426696875697143
Energy: 0.9489685135816102
Energy: 0.9991300269461699
Energy: 0.93876951360837
Energy: 0.9408198306655601
Energy: 0.9994048969850419
Energy: 0.9433203245036901
Energy: 0.9832005644385109
Energy: 0.994192384289423
Energy: 0.9724226918731664
Energy: 0.966361635616592
Energy: 0.9601273772860781
Energy: 0.9988852256152192
Energy: 0.9754482442939468
Energy: 0.9916404148679313
Energy: 0.9639593582207429
Energy: 0.9631731588270721
Energy: 0.9602232240234894
Energy: 0.9623035522113953
Energy: 0.979214325422161
Energy: 1.0001038204002044
Energy: 0.9636599028169973
Energy: 0.9737876943813335
Energy: 1.000313314305062
Energy: 0.9631281451315475
Energy: 0.9822743255661908
Energy: 0.9982294095089613
Energy: 0.963170888837702
Energy: 0.9652465874530756
Energy: 0.9856290562824983
Energy: 0.9664904250364865
Energy: 0.9719724658641735
Energy: 0.9878151531930468
Energy: 0.9631061027746578
Energy: 0.945080085510485
Energy: 0.9355656220889863
Energy: 0.9633224808630628
Energy: 0.9465983602394655

minimum gb energy = 0.9316079479554757 eV
minimum distance =  2.52417184446975 Angstroms
sigma value = 33


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

Energy: 0.014660631839459655
Energy: 0.8971320069847609
Energy: 0.015262911082695441
Energy: 0.01647028304269983
Energy: 0.8990399970744742
Energy: 0.015263686196392625
Energy: 0.4328683027637372
Energy: 0.10821701345169887
Energy: 0.10687008183187229
Energy: 0.10664999712715921
Energy: 0.10955958644970071
Energy: 0.10655882158543196
Energy: 1.224791573353586
Energy: 0.8981363646326969
Energy: 0.8963559139621227
Energy: 0.8963837718487162
Energy: 0.8994418678275047
Energy: 0.895995219849173
Energy: 0.015610719403906898
Energy: 0.10821701345208189
Energy: 0.10687008183187229
Energy: 0.10664999712715921
Energy: 0.10955958644970071
Energy: 0.10655882158543196

minimum gb energy = 0.014660631839459655 eV
minimum distance =  2.71838822315004 Angstroms
sigma value = 1