Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.878984525799751
cohesive_energy=3.900508361906172
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.166110617347586e-19, 1.83840155691696e-19, 2.4003169459934395e-19, 2.8896537335497196e-19, 3.3169862853701997e-19, 3.69570879811512e-19, 4.03349569786134e-19, 4.3357302980991e-19, 4.60651417101144e-19, 4.8490676916327e-19, 5.06598638610996e-19, 5.2595453452635e-19, 5.43176331165216e-19, 5.5850275284606e-19, 5.721404803546679e-19, 5.84059072334994e-19, 5.942184743711879e-19, 6.02740451887434e-19, 6.097515768378179e-19, 6.153447754671119e-19, 6.195953500771139e-19, 6.22564183379916e-19, 6.24310555910976e-19, 6.248809307926799e-19, 6.242624906119559e-19, 6.22251758936286e-19, 6.18585978797694e-19, 6.12947919222648e-19, 6.04959466525524e-19, 5.941688068955339e-19, 5.80042415513556e-19, 5.6193942172599e-19, 5.39010671916816e-19, 5.10153868561842e-19, 4.74082463823966e-19, 4.2922792677850196e-19, 3.73597149692754e-19, 3.0464587607193e-19, 2.19107267759304e-19, 1.1278762741538098e-19, -1.9645409233117798e-20, -1.85725917589914e-19, -3.9580171566336e-19, -6.634293006067199e-19, -1.007618498182404e-18, -1.4554845457442279e-18, -2.0471331287944798e-18, -2.8419088698565198e-18, -3.9314210245092e-18, -5.4671553934972195e-18, -7.69946809764942e-18, -1.1073668110619758e-17, -1.6434807476245198e-17, -2.5479254792838598e-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: -2.94648969064528e-25 eV

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

Energy: 0.016001047505796513
Energy: 0.41532497577945227
Energy: 0.3068561665430277
Energy: 0.6079895766116167
Energy: 0.6084824856640612
Energy: 0.248121308351441
Energy: 0.017005495253469515
Energy: 0.09180341911317158
Energy: 0.715838080460269
Energy: 0.18807422966597354
Energy: 0.4163202592593686
Energy: 0.4155060658029403
Energy: 0.016884605562647443
Energy: 0.092855438920801
Energy: 0.016260156701749132
Energy: 0.6064341101841991
Energy: 0.5738717999360495
Energy: 0.5673868070411103
Energy: 0.4940222102310565
Energy: 0.09162424084648288
Energy: 0.09281005388401398
Energy: 0.01849304629825876
Energy: 0.4157094873198223
Energy: 0.575493598750223
Energy: 0.604725674250706
Energy: 0.6058670202569238
Energy: 0.09198656797561694
Energy: 0.01681812161927342
Energy: 0.09319053223061095
Energy: 0.7259582337393918
Energy: 0.18805427813003112
Energy: 0.4180347088967124
Energy: 0.4154722350820264
Energy: 0.01677543162012455
Energy: 0.09248980236566129
Energy: 0.01644327544767776
Energy: 0.41592279363358464
Energy: 0.5742280415211571
Energy: 0.567610259447851
Energy: 0.4942372328307889
Energy: 0.09136920462246302
Energy: 0.09248705316294967

minimum gb energy = 0.016001047505796513 eV
minimum distance =  2.71846790151971 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.9471025669176196
Energy: 1.123245446771117
Energy: 0.9576088340380318
Energy: 1.021495456507903
Energy: 1.0149208246278008
Energy: 1.0104245621598622
Energy: 1.0575091347554675
Energy: 0.8630291141750631
Energy: 0.9359526413759606
Energy: 0.8735359425430901
Energy: 0.9625525075015698
Energy: 0.9094126259806387
Energy: 0.8988229201031579
Energy: 0.9391756762842758
Energy: 0.9773620183553362
Energy: 0.9319028081597682
Energy: 0.9545308388188941
Energy: 0.9025105802647122
Energy: 0.9881356107441801
Energy: 0.9537267869230028
Energy: 0.9858702034845104
Energy: 0.8482739695562777
Energy: 0.9903228432355824
Energy: 0.8708426616596594
Energy: 0.9627565400945969
Energy: 0.9719552847515751
Energy: 0.8640338811494365
Energy: 0.9528165554216876
Energy: 0.9687926426829202
Energy: 0.934397126798353
Energy: 0.9049859977503056
Energy: 0.9375116104125436
Energy: 0.9484763175626174
Energy: 0.9004730569028441
Energy: 0.87438587666657
Energy: 0.9035910047866156
Energy: 0.9400374739457348
Energy: 0.8690323240060591
Energy: 0.9121862136826178
Energy: 0.9122934588816549
Energy: 0.9064414476360445
Energy: 0.9507443505812773
Energy: 0.9194087372451052
Energy: 1.0080705796794396
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Energy: 0.9449752016263679
Energy: 0.9467196058991454
Energy: 0.9510932970516258
Energy: 0.9165790219634129
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Energy: 0.9579995864163557
Energy: 0.9313194544688888
Energy: 0.9601351917331469
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Energy: 0.9239974044104058
Energy: 0.9874779111954016
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Energy: 0.9730639189469598
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Energy: 0.9535950010917141
Energy: 0.9688867343042288
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Energy: 0.9069756856694413
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Energy: 0.9773216648168337
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Energy: 0.9414317823939072
Energy: 0.9707746845905999
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Energy: 0.9505770155372684
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Energy: 0.9471708729129417
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Energy: 0.8998700283145779
Energy: 1.0228377841244336
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Energy: 1.0321556019996807
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Energy: 0.9007202021475774
Energy: 0.9209032950572533
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Energy: 0.8863584177227515
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Energy: 0.9193665132674235
Energy: 0.9157610289644897
Energy: 0.8649709401680823
Energy: 0.9665225290543172
Energy: 0.8617484648583624
Energy: 0.940638808801931
Energy: 0.9092732812938562
Energy: 0.8834247997138593
Energy: 0.9484245465136351
Energy: 0.9237221225164303
Energy: 0.9951678088213877
Energy: 0.9648490663745688
Energy: 0.9366063124892997
Energy: 0.9497470776643714
Energy: 0.9078219996216544
Energy: 0.9703688060215879
Energy: 0.8488724893181866
Energy: 0.9417638277256297
Energy: 0.9294668635596318
Energy: 0.9630389738059355
Energy: 0.9733346519576456
Energy: 0.943397255860824
Energy: 0.942412864563453
Energy: 0.9186105495167469
Energy: 0.9186896771542602
Energy: 0.9157496848320591
Energy: 0.9351762130414315
Energy: 0.9431279706211936
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Energy: 0.9202508041797614
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Energy: 0.942157484121804
Energy: 0.8728126125168388
Energy: 0.9574706594121517
Energy: 0.9212262971775648
Energy: 0.9090755717204926
Energy: 0.954512401793689
Energy: 0.883672770634892
Energy: 0.9648259773938338
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Energy: 0.9345915529091895
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Energy: 0.9121052462605952
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Energy: 0.989214390749865
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Energy: 0.8737407087903484
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Energy: 0.8776800904300355
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Energy: 0.9920083635820671
Energy: 0.9158424426699622
Energy: 0.9444127749563263
Energy: 0.8699397658893806
Energy: 0.9137893846908918
Energy: 0.9527873757362546
Energy: 0.890470513703322
Energy: 0.9457946966225325
Energy: 0.9687807274440642
Energy: 0.8895658666033772
Energy: 0.948414300110369
Energy: 0.9473096428221768
Energy: 0.9307991862512239
Energy: 0.916067023061869
Energy: 0.9499667775144325
Energy: 0.8982206308690125
Energy: 1.0071298302225897
Energy: 0.8964092012657867
Energy: 0.8945781779717205
Energy: 0.9086891826426233
Energy: 0.939181552565777
Energy: 1.0362393161044698
Energy: 0.9761165946024764
Energy: 0.9096950390886483
Energy: 0.888649013200406
Energy: 0.9215298864293526
Energy: 0.9550254542854886
Energy: 0.9863488138265254
Energy: 0.9702553597783335
Energy: 0.8774166062174812
Energy: 0.9131950420942243
Energy: 0.8895036205542348
Energy: 0.9474469088116181
Energy: 0.9266478109077674
Energy: 0.8657360494427206
Energy: 0.8816585199014351
Energy: 0.95760350253264
Energy: 1.0017220588427407
Energy: 0.9634816872858675
Energy: 0.9428704530494713
Energy: 0.927174081913078
Energy: 0.9636816996538737
Energy: 1.0091229756962117
Energy: 0.8456559966166309
Energy: 0.9642942785257448
Energy: 0.8837416137304117
Energy: 0.9194942396440219
Energy: 0.9377015904905286
Energy: 0.8921057095586861
Energy: 0.9087063355903435
Energy: 0.984557957971878
Energy: 0.9428490457342704
Energy: 0.9198117076933279
Energy: 0.9166127176256411
Energy: 0.9023955817784278
Energy: 0.9317190008590769
Energy: 0.8879025580907536
Energy: 0.8859995301444351
Energy: 0.9301780018221494
Energy: 0.919574498932641
Energy: 1.0032816871842554
Energy: 0.9505484672053013
Energy: 0.8763075074839876
Energy: 0.962272858854486
Energy: 0.8728316028751368
Energy: 0.9639393411945494
Energy: 0.9618953018773608
Energy: 0.965256012810851
Energy: 0.9467331374328929
Energy: 0.9287233334320203
Energy: 0.965562036001548

minimum gb energy = 0.8456559966166309 eV
minimum distance =  2.50616189970037 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.9312078613620703
Energy: 1.0121117519870073
Energy: 0.8931845360412817
Energy: 0.8634441870811962
Energy: 1.0283243343061244
Energy: 0.8772812109722342
Energy: 0.9282778213175205
Energy: 0.8842817009686481
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Energy: 0.9127400362187766
Energy: 0.9382492092101088
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Energy: 0.8929169937572631
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Energy: 0.8912999571512689
Energy: 0.8714082626051617
Energy: 0.8692047166189928
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Energy: 0.8921784047636444
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Energy: 0.9782732779516647
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Energy: 0.9691941512436149
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Energy: 0.8640566513326765
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Energy: 0.8887891980429291
Energy: 0.888421402916977
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Energy: 0.8917091152691028
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Energy: 0.9516718301342896
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Energy: 0.9021815271703033
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Energy: 0.9012312511750992
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Energy: 0.9395451744085539
Energy: 0.9435595952166705
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Energy: 0.9050776390304522
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Energy: 0.874325332333349
Energy: 0.8994387912244176
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Energy: 0.9459986210535065
Energy: 0.9372132785876436
Energy: 0.9074574955870282
Energy: 0.8780438536414746
Energy: 0.8665394795226532
Energy: 0.8812327537716713
Energy: 0.9911406440822728
Energy: 0.8872474256895931
Energy: 0.9786140932772709
Energy: 0.8624993205821923
Energy: 0.8784209647461789
Energy: 0.8757395482285212
Energy: 0.9639330757556918
Energy: 1.0165453029453055
Energy: 0.9397994990548779
Energy: 0.9760870172612448
Energy: 0.8596442280695272
Energy: 0.8642901440622367
Energy: 0.8604168717737972
Energy: 0.8694505283112394
Energy: 0.9309207986339056
Energy: 0.9289396704943623
Energy: 0.94047003263114
Energy: 0.9699943396906575
Energy: 0.8692905912121948
Energy: 0.8644307203473806
Energy: 0.9270099582587561
Energy: 0.9424442769949721
Energy: 0.8811737400442484
Energy: 0.9026682371427288
Energy: 0.8949448206197563
Energy: 0.8698887909015358
Energy: 0.8972708479109736
Energy: 0.9445412480507623
Energy: 0.897255342820641
Energy: 0.9024265382292842
Energy: 0.8890195225326294
Energy: 0.8830344307548191
Energy: 0.8907175746052434
Energy: 0.9342814102343707
Energy: 0.8924459675247308
Energy: 0.9030501719560273
Energy: 0.8842963269990978
Energy: 0.8864838786914826
Energy: 0.9224812568204771
Energy: 0.8602451197523205
Energy: 0.8782697366310758
Energy: 0.9087899439023644
Energy: 0.9078701265130997
Energy: 0.8847280302128222
Energy: 0.8877847409220738
Energy: 0.9452589841423539
Energy: 0.8764042150074733
Energy: 0.9585774503586304
Energy: 0.8832712755849852
Energy: 0.9070405633578402
Energy: 0.9023129816752669
Energy: 0.8895062471500711
Energy: 0.8816693619186714
Energy: 0.9047118320383798
Energy: 0.881845979180759
Energy: 0.9569434963182436
Energy: 0.9310828158669707
Energy: 0.8857408633563502
Energy: 0.9239724279992256
Energy: 0.9138028416738767
Energy: 0.8727941076383012
Energy: 0.8845096153072937
Energy: 0.8995613716895244
Energy: 0.9514938980673907
Energy: 0.8983998242243698
Energy: 0.8934849118479239
Energy: 0.8862972190269958
Energy: 0.8812424532386463
Energy: 0.8905670784128166
Energy: 0.8690901844747236
Energy: 0.9951137383729106
Energy: 0.8757218228179314
Energy: 0.9271407097037508
Energy: 0.8646609717788388
Energy: 0.8758880159013842
Energy: 0.860879155472317
Energy: 0.9678842472643151
Energy: 0.9487940572494604
Energy: 0.9160489918367893
Energy: 0.9832997413395445
Energy: 0.8649840097082716
Energy: 0.8814871129037518
Energy: 0.8614289304218427
Energy: 0.8661615855489432
Energy: 0.9658887418667177
Energy: 0.92656766724082
Energy: 0.906470847120246
Energy: 0.9571362883767888
Energy: 0.8722052119705571
Energy: 0.8620049080820156
Energy: 0.926194533810912
Energy: 0.9491772724582429
Energy: 0.9256219876990139
Energy: 0.8818963035423812
Energy: 0.8870919257840607
Energy: 0.9074919109622744
Energy: 0.8796337616131712
Energy: 0.9410650528056841
Energy: 0.9328214920635775
Energy: 0.9362545543213262
Energy: 0.8889893598936266
Energy: 0.8840505875339637
Energy: 0.9058362181524362
Energy: 0.9377810649600584
Energy: 0.9242055327788145
Energy: 0.9332987429578665
Energy: 0.8860811437385909
Energy: 0.877133380938837
Energy: 0.8973761036291263
Energy: 0.8968456489348364
Energy: 0.8668226081691667
Energy: 0.9420433874430431
Energy: 0.8859956208112632

minimum gb energy = 0.8548140650278248 eV
minimum distance =  2.49939070137637 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.9511551213001714
Energy: 0.9145391500265287
Energy: 0.964227425170576
Energy: 0.8797790229752137
Energy: 0.9509342764037271
Energy: 0.8788204143720634
Energy: 0.9063875404262892
Energy: 0.9054396624640307
Energy: 0.90742394335493
Energy: 0.8898461385403913
Energy: 0.9159772367443356
Energy: 0.8695071507243052
Energy: 0.8767296635795672
Energy: 0.9124605164855785
Energy: 0.8907501106295423
Energy: 0.8972420707413076
Energy: 0.9508321416421754
Energy: 0.9202880787244948
Energy: 0.8814205036696342
Energy: 0.9070440131737717
Energy: 0.8933498112483251
Energy: 0.8622629435696867
Energy: 0.9911940752727465
Energy: 0.9279805973894839
Energy: 0.9619030687087998
Energy: 0.9319050061756085
Energy: 0.8802996051868996
Energy: 0.9047672331447507
Energy: 0.9049454156645418
Energy: 0.8850600799030381
Energy: 0.8886400165749068
Energy: 0.9651129201666414
Energy: 0.9119067791874216
Energy: 0.9489587266467908
Energy: 0.9109064698933632
Energy: 0.875438342414086
Energy: 0.8810608907626163
Energy: 0.8798516301591167
Energy: 0.883933092007222
Energy: 0.8814508508592214
Energy: 0.8829868224294602
Energy: 0.8930503616276314
Energy: 0.9474185933170748
Energy: 0.9058479435722274
Energy: 0.8930076496338714
Energy: 0.9033795027009117
Energy: 0.8938362298130251
Energy: 0.8623811390874341
Energy: 0.9226280913005256
Energy: 0.8838903077744895
Energy: 0.91492395292586
Energy: 0.9081807231398353
Energy: 0.9117623204110773
Energy: 0.9495536940360468
Energy: 0.9241924836875891
Energy: 0.9078411093126525
Energy: 0.914480012491978
Energy: 0.9199192596289149
Energy: 0.9257641924544491
Energy: 0.9005671260680215
Energy: 0.8703551143841871
Energy: 0.893624337308226
Energy: 0.8734775452933619
Energy: 0.9062481003323123
Energy: 0.928915166190939
Energy: 0.8644763493777529
Energy: 0.9195516521715721
Energy: 0.8971666974771945
Energy: 0.8967542117143416
Energy: 0.8910292947857927
Energy: 0.9050983077621467
Energy: 0.9118843372733525
Energy: 0.8935465677972873
Energy: 0.9477990502644316
Energy: 0.8940062257366027
Energy: 0.9410198229300146
Energy: 0.8920778640039009
Energy: 0.862531670677765
Energy: 0.8906767087114352
Energy: 0.8862084921214645
Energy: 0.8942075497418428
Energy: 0.8969217322599867
Energy: 0.8831392542712981
Energy: 0.8780102466851939
Energy: 0.9265165812672242
Energy: 0.8725234884004237
Energy: 0.9024191017885972
Energy: 0.8940792364770724
Energy: 0.8956643740561956
Energy: 0.8738641955549529
Energy: 0.9200557100642076
Energy: 0.913217573930857
Energy: 0.9415443829724902
Energy: 0.885767972269446
Energy: 0.9288382986224446
Energy: 0.9662867753666935
Energy: 0.9142262073566089
Energy: 0.9394246880872439
Energy: 0.894685616379538
Energy: 0.8748427272625142
Energy: 0.8743308462304431
Energy: 0.9028266003787506
Energy: 0.8679429428651833
Energy: 0.8517057886804535
Energy: 0.8874074456401395
Energy: 0.8633936816886252
Energy: 0.9390262778900732
Energy: 0.8644090611480424
Energy: 0.8909950704609655
Energy: 0.9172943421016515
Energy: 0.8893984801082596
Energy: 0.9061644950946078
Energy: 0.9043572795142365
Energy: 0.8962446505449791
Energy: 0.8928515802396668
Energy: 0.9661486753722498
Energy: 0.8766963925251926
Energy: 0.9543996525136794
Energy: 0.9226403863532741
Energy: 0.876966939310757
Energy: 0.898460264907446
Energy: 0.8802001132118833
Energy: 0.9035438079790696
Energy: 0.8760340314106291
Energy: 0.8811812000453701
Energy: 0.9001559899892221
Energy: 0.8988371966423689
Energy: 0.882680740890733
Energy: 0.9342182572271992
Energy: 0.8819320045384917
Energy: 0.9199946476706512
Energy: 0.8913736691016589
Energy: 0.8609513689753652
Energy: 0.9512816937974866
Energy: 0.9424022722031848
Energy: 0.9226337358107864
Energy: 0.9342143287295424
Energy: 0.9245664192321765
Energy: 0.9391240292524573
Energy: 0.9686003200309217
Energy: 0.9031870434296194
Energy: 0.9149386098035391
Energy: 0.8947151126437144
Energy: 0.8817681927882678
Energy: 0.8828703686183298
Energy: 0.8922686771865943
Energy: 0.9157787077495312
Energy: 0.8605827729323173
Energy: 0.9044599294204583
Energy: 0.8838792686881949
Energy: 0.924095023291957
Energy: 0.8855539286676387
Energy: 0.8766180949215674
Energy: 0.902569296814735
Energy: 0.9617826679419984
Energy: 0.9165099206976773
Energy: 0.8815561545247447
Energy: 0.9594122502372674
Energy: 0.9108011905587087
Energy: 0.9377028172573053
Energy: 0.8773220510571516
Energy: 0.8858213233808614
Energy: 0.9036762573502023
Energy: 0.8922266056017445
Energy: 0.9085989668609847
Energy: 0.9137606378639438
Energy: 0.8785419627542723
Energy: 0.921014220065668
Energy: 0.94256767141716
Energy: 0.888027080612266
Energy: 0.9440357149907663
Energy: 0.8771411222654885
Energy: 0.8983503982633213
Energy: 0.865245196034917
Energy: 0.9092227787971696
Energy: 0.9143310597424197
Energy: 0.9441999595520212
Energy: 0.900186793825472
Energy: 0.9238939591183389
Energy: 0.9471060969496806
Energy: 0.9237526245472957
Energy: 0.9512544291632515
Energy: 0.9090922367391258
Energy: 0.9154107419239902
Energy: 0.8770698724303049
Energy: 0.8701506766183184
Energy: 0.8914503129362549
Energy: 0.8662239739767522
Energy: 0.8753334304161193
Energy: 0.9255366791632464
Energy: 0.927229914403354
Energy: 0.8764906816192749
Energy: 0.8921533982750341
Energy: 0.8941080835136709
Energy: 0.857981278413123
Energy: 0.8917621017640349
Energy: 0.8914032312492196
Energy: 0.9042795145028792
Energy: 0.8926377644943007
Energy: 0.958439666164952
Energy: 0.8921715940282421
Energy: 0.9607810306353218
Energy: 0.8891802962342121
Energy: 0.8722125105822425
Energy: 0.9186427242773548
Energy: 0.8857171217746557
Energy: 0.9233024087977872
Energy: 0.9171623380130055
Energy: 0.871616899306687
Energy: 0.8966925086211271
Energy: 0.9515108646640944
Energy: 0.8803787258621579
Energy: 0.9162616159374436
Energy: 0.913974253798632
Energy: 0.8745825674949155
Energy: 0.8669276455397278
Energy: 0.9037393470971211
Energy: 0.9324852294820544
Energy: 0.9090455950755373
Energy: 0.8854101943977674
Energy: 0.9469114932839031
Energy: 0.9650506585157395
Energy: 0.9493551506769022
Energy: 0.890351273549623
Energy: 0.8935810544513199
Energy: 0.879180858099645
Energy: 0.8955900105192928
Energy: 0.8785368428670954
Energy: 0.8916754711735192
Energy: 0.8967644924567081
Energy: 0.8949376629047727
Energy: 0.8778113013080882
Energy: 0.9046349232497812
Energy: 0.8906226161676811
Energy: 0.890438613617302
Energy: 0.8892076647969811
Energy: 0.88874944867627
Energy: 0.8910399028206435
Energy: 0.9071911153236866
Energy: 0.9040412027410829
Energy: 0.9062108853106553
Energy: 0.9467738747029071
Energy: 0.8729331613055401
Energy: 0.9659861736495184
Energy: 0.915212969349018
Energy: 0.8918872754894877
Energy: 0.8919391052810854
Energy: 0.9766358474416493
Energy: 0.9098856053737715
Energy: 0.9427460489984826
Energy: 0.8809257734956921
Energy: 0.9101356860188081

minimum gb energy = 0.8517057886804535 eV
minimum distance =  2.47885413602898 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.8354036111060344
Energy: 0.9696255844977497
Energy: 0.971212145778731
Energy: 0.8587156525199794
Energy: 0.9049952188298083
Energy: 0.9478547551501171
Energy: 0.8192552583503792
Energy: 0.8641762128726231
Energy: 0.8856750931491465
Energy: 0.9084410699259914
Energy: 0.8694495241359872
Energy: 0.8474583493553748
Energy: 0.8637180732493432
Energy: 0.9875246995479892
Energy: 0.8636453804999583
Energy: 0.8544575131626371
Energy: 0.9091723349185261
Energy: 0.8590645687376598
Energy: 0.8449764530200962
Energy: 0.8635865684585667
Energy: 0.8634422542422453
Energy: 0.8608806477655851
Energy: 0.8513055897204939
Energy: 0.9219547498609125
Energy: 0.8521244091529021
Energy: 0.8710283840734523
Energy: 0.8613743917602268
Energy: 0.9704097605690034
Energy: 0.8658789049480909
Energy: 0.8439758936501448
Energy: 0.8583224158134619
Energy: 0.859670747286422
Energy: 0.9368861180137719
Energy: 0.8298490798866339
Energy: 0.8634225103272027
Energy: 0.8138357159118484
Energy: 0.8447205940572204
Energy: 0.8594961722333166
Energy: 0.8629411433877453
Energy: 0.8895395230062085
Energy: 0.8661892609732945
Energy: 0.8670020617094895
Energy: 0.874256331448856
Energy: 0.9110769911281292
Energy: 0.8549712969182071
Energy: 0.9720080396348041
Energy: 0.8186532430175896
Energy: 0.8159182933343797
Energy: 0.8843086671714222
Energy: 0.81575296094812
Energy: 0.8902225928043808
Energy: 0.8709596015092175
Energy: 0.8350751704821888
Energy: 0.9364000606527673
Energy: 0.8714256309495834
Energy: 0.8652807721097241
Energy: 0.815903062341034
Energy: 0.8861363779226608
Energy: 0.8701359439582451
Energy: 0.8369123209753647
Energy: 0.8437275896718424
Energy: 0.8326205781463876
Energy: 0.8674954861810287
Energy: 0.8738067318292427
Energy: 0.9070865333214966
Energy: 0.8604318473568836
Energy: 0.8587414926696353
Energy: 0.8434871996277402
Energy: 0.8636228811051558
Energy: 0.8617005467330343
Energy: 0.8637461698535338
Energy: 0.8366835464761668
Energy: 0.8625717705002732
Energy: 0.837550312167852
Energy: 0.847086746560959
Energy: 0.867512773636521
Energy: 0.9751912892567952
Energy: 0.8819794003284935
Energy: 0.8440977424174556
Energy: 0.8367437790120366
Energy: 0.8428956707446535
Energy: 0.8694784456182129
Energy: 0.8609745816181001
Energy: 0.8788909732417161
Energy: 0.8151444066664661
Energy: 0.8440865864621738
Energy: 0.8897127315605475
Energy: 0.8599664781142357
Energy: 0.8599726409921322
Energy: 0.8725755250110773
Energy: 0.8628009614989214
Energy: 1.0190762694968534
Energy: 0.8647547504195696
Energy: 0.8607787095338906
Energy: 0.8727621517474373
Energy: 0.8165330860532203
Energy: 0.8157368491366613
Energy: 0.8830684704619995
Energy: 0.8230184733714991
Energy: 0.8865768647305688
Energy: 0.8551621331088103
Energy: 0.8701971903988511
Energy: 0.8152854557382188
Energy: 0.8146444591072597
Energy: 0.8936298493092099
Energy: 0.8137206649644219
Energy: 0.9017338643994155
Energy: 0.8811071122340461
Energy: 0.8622095458771759
Energy: 0.9049770930080656
Energy: 0.9529295386784886
Energy: 0.818003881916892
Energy: 0.8639608955271302
Energy: 0.8857157896863481
Energy: 0.9080458499864112
Energy: 0.8692113847340547
Energy: 0.8469268727168344
Energy: 0.8637571259910043
Energy: 0.9862784468414212
Energy: 0.8655075185592339
Energy: 0.8541420849463851
Energy: 0.9089472167266613
Energy: 0.8633998575720045
Energy: 0.8455655308426248
Energy: 0.8637646564530848
Energy: 0.8631790404797685
Energy: 0.8608327214134806
Energy: 0.8505002788495213
Energy: 0.903681835931486
Energy: 0.8523795290098317
Energy: 0.8695590665527267
Energy: 0.8611197867314401
Energy: 0.9706231604144744
Energy: 0.8657993658788611
Energy: 0.8440295430391459
Energy: 0.8583577981524598
Energy: 0.8608723601278325
Energy: 0.8979783237511346
Energy: 0.8304911616188804
Energy: 0.8629557293380441
Energy: 0.8166573599894782
Energy: 0.843826626478879
Energy: 0.8594795074392886
Energy: 0.8707315120865567
Energy: 0.8912206878351032
Energy: 0.8163092791398698
Energy: 0.8674155425545148
Energy: 0.8740511583655012
Energy: 0.8363765712452468
Energy: 0.8560372409535433
Energy: 0.9719951647629457
Energy: 0.8186788531760775
Energy: 0.8155978076245929
Energy: 0.8867546549573618
Energy: 0.8153073326047031
Energy: 0.8893790213928381
Energy: 0.9685839101657209
Energy: 0.8827840625417491
Energy: 0.9372396192982726
Energy: 0.8739372453859093
Energy: 0.864808294688755
Energy: 0.8158830366418132
Energy: 0.8859445727586006
Energy: 0.8696659233755679
Energy: 0.8352991267622245
Energy: 0.8477705330916762
Energy: 0.9170085600498639
Energy: 0.8674999992395701
Energy: 0.8739967985400768
Energy: 0.9062116694128559
Energy: 0.8606845123886648
Energy: 0.8592515908002896
Energy: 0.8453342874890731
Energy: 0.8637763361426534
Energy: 0.8618317807867237
Energy: 0.8630514366085709
Energy: 0.8362361582705728
Energy: 0.8607015116719922
Energy: 0.8372037673240601
Energy: 0.8475682407307034
Energy: 0.8589062173593573
Energy: 0.9082279598570884
Energy: 0.8841839108930257
Energy: 0.8439698606503643
Energy: 0.836355177988516
Energy: 0.8439945902355503
Energy: 0.8695161187050101
Energy: 0.8600421721583121
Energy: 0.8817003505457051
Energy: 0.8144683066074364
Energy: 0.843420539993574
Energy: 0.8896915377474071
Energy: 0.8600453656511899
Energy: 0.8600709890366443
Energy: 0.8724912097116746
Energy: 0.8627093912648335
Energy: 1.0212810892577828
Energy: 0.8660862576298608
Energy: 0.8606079279992072
Energy: 0.872928822024321
Energy: 0.8164366499926189
Energy: 0.8157363968097404
Energy: 0.8835735470144944
Energy: 0.8224145103476977
Energy: 0.8857532049323265
Energy: 0.8550957712296297
Energy: 0.8447253912531593
Energy: 0.8156505511147015
Energy: 0.8146676086705987
Energy: 0.8934649536483166

minimum gb energy = 0.8137206649644219 eV
minimum distance =  2.50095511951241 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.0413403694630234
Energy: 0.9132705065275329
Energy: 1.0198778609669228
Energy: 1.0837964387373311
Energy: 0.9135772517491021
Energy: 0.865246313222622
Energy: 0.9567165945500858
Energy: 0.8568852414963513
Energy: 0.9181972986811149
Energy: 0.9560697638393715
Energy: 0.7880276863969736
Energy: 0.8119247646390136
Energy: 1.0138641713327987
Energy: 0.8938329058272891
Energy: 0.8389453172217141
Energy: 0.9048472506893136
Energy: 0.8892272102089551
Energy: 0.789107684718709
Energy: 0.9198045335823478
Energy: 0.84343487896274
Energy: 0.8793360474021641
Energy: 0.8266470969721398
Energy: 0.892818293242275
Energy: 0.9002272195021871
Energy: 0.9107229870493808
Energy: 0.8748958898140013
Energy: 0.8659531637054806
Energy: 0.9421708641259112
Energy: 0.8265663394193259
Energy: 0.8126886700933589
Energy: 0.8817156835216188
Energy: 0.8440578091763608
Energy: 0.8440251494620192
Energy: 0.8544823144703114
Energy: 0.8704536370719514
Energy: 0.8040167696560414
Energy: 0.8130939640352108
Energy: 0.8349019623699108
Energy: 0.8362982634997892
Energy: 0.8346408021478
Energy: 0.8454462296252722
Energy: 0.8548192743966126
Energy: 0.8270500077037422
Energy: 0.8377060955231163
Energy: 0.8653087793665347
Energy: 0.8550324131006836
Energy: 0.8030002147630395
Energy: 0.8035792104456846
Energy: 0.854878685440995
Energy: 0.8664575927567257
Energy: 0.8462814183341375
Energy: 0.8893115359097156
Energy: 0.8791871382021862
Energy: 0.8136040965529693
Energy: 0.8305198849627171
Energy: 0.8708151968354965
Energy: 0.8562682051140309
Energy: 0.8888555646998894
Energy: 0.8818426004918696
Energy: 0.89096291271616
Energy: 0.9532207285143721
Energy: 0.8478621208076565
Energy: 0.9842041964027587
Energy: 0.8282484995047417
Energy: 0.9049844424695503
Energy: 0.8730399272485877
Energy: 0.9429637348184655
Energy: 0.8808840696906561
Energy: 0.8650737135878683
Energy: 0.8474656218704371
Energy: 0.8459680637733953
Energy: 0.8362447607324733
Energy: 0.8622688910441173
Energy: 0.8350728471778553
Energy: 0.8779686002411159
Energy: 0.802864998157076
Energy: 0.8942060075648213
Energy: 0.8737349082663526
Energy: 0.8995536916678846
Energy: 0.9518276414834153
Energy: 0.8436279144191886
Energy: 0.9000487228343076
Energy: 0.895713028562746
Energy: 0.9785701252205404
Energy: 0.8038520895003305
Energy: 0.911375177101678
Energy: 0.8481167689000811
Energy: 1.0110818942923012
Energy: 0.9375718640004381
Energy: 0.8591405436354779
Energy: 0.9788032916171101
Energy: 0.806624641797237
Energy: 0.9385368032484716
Energy: 0.8531812354405744
Energy: 0.8895712438050973
Energy: 0.8898017867829594
Energy: 0.9640216378209434
Energy: 1.1143818030720392
Energy: 0.9435235662841583
Energy: 0.8974218374271546
Energy: 0.8630616480906179
Energy: 0.8889229575445811
Energy: 1.0188412155077273
Energy: 0.8276097726256814
Energy: 0.9742623922986439
Energy: 0.9172446079045008
Energy: 0.8915367589604923
Energy: 0.9035986886240365
Energy: 0.9355673070786702
Energy: 0.9072399781117821
Energy: 0.8889850584862543
Energy: 0.9441159597762003
Energy: 0.840072966663199
Energy: 0.9098067966857605
Energy: 0.8609169889938877
Energy: 0.8253067593000817
Energy: 0.7877010699498844
Energy: 0.843360926972275
Energy: 0.8698271304837105
Energy: 0.8036410204076745
Energy: 0.811415913378527
Energy: 0.8638727079225454
Energy: 0.8759409532943907
Energy: 0.8394256811708759
Energy: 0.8557669764137669
Energy: 0.8729421589035985
Energy: 0.8033225195528257
Energy: 0.8368977049163417
Energy: 0.8715807706193635
Energy: 0.8358648724617309
Energy: 0.8028227960557388
Energy: 0.8032336222533312
Energy: 0.8552043959022266
Energy: 0.9099456905492684
Energy: 0.8446451812832931
Energy: 0.8901448911327523
Energy: 0.8844391835641124
Energy: 0.8116620049228208
Energy: 0.8273682746091122
Energy: 0.8701449658927934
Energy: 0.8656692290761205
Energy: 0.8744398012093095
Energy: 0.883560387413948
Energy: 0.9944260172441525
Energy: 0.9550424507336294
Energy: 0.870107445172217
Energy: 0.8698023517623781
Energy: 0.8284735635153085
Energy: 0.891473145886207
Energy: 0.8621100871522743
Energy: 0.8734863778620179
Energy: 0.8606739743259822
Energy: 0.891509700610053
Energy: 0.8471984081757278
Energy: 0.9253515047476862
Energy: 0.8904987905320162
Energy: 0.9349663407939949
Energy: 1.0048752455256984
Energy: 0.868902796521241
Energy: 0.908685816272597
Energy: 0.9237342816894232
Energy: 0.8385490600841601
Energy: 0.8219234264326375
Energy: 0.9149851953440993
Energy: 0.9978006643393743
Energy: 0.8876805330331794
Energy: 1.011125392743436
Energy: 0.9798264192387682
Energy: 0.806976438774515
Energy: 0.9391088584712091
Energy: 1.002254593208886
Energy: 0.8863619518109551
Energy: 0.8687380974414263
Energy: 0.9070198568210995
Energy: 0.8683221282316893

minimum gb energy = 0.7877010699498844 eV
minimum distance =  2.51658892403532 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.9625814094371504
Energy: 1.130439569081449
Energy: 1.0638746012059073
Energy: 1.0179218561584524
Energy: 1.0395120241939408
Energy: 0.9848719039346917
Energy: 1.0828883058814542
Energy: 0.9798395052342702
Energy: 1.054249955272248
Energy: 0.9265124773699815
Energy: 1.0986539203248082
Energy: 1.063056155405297
Energy: 1.045910318891518
Energy: 1.0264179544926741
Energy: 0.9826004010270564
Energy: 1.0662434967428975
Energy: 1.029709864523854
Energy: 1.0274089719937283
Energy: 0.9855970887476102
Energy: 1.0019683429909545
Energy: 1.0689774030839172
Energy: 0.9831420848672772
Energy: 1.0595402262589582
Energy: 0.9888890230884908
Energy: 0.9790161003162168
Energy: 1.031291069853514
Energy: 0.9990175319041725
Energy: 1.0596507797720878
Energy: 0.9545983897166984
Energy: 1.071857252381935
Energy: 0.9547880231904842
Energy: 1.0065736550516826
Energy: 0.9664858755184043
Energy: 0.9307743787723726
Energy: 1.0042421215000763
Energy: 0.9135914245917109
Energy: 0.9480421351275267
Energy: 0.9861430659123769
Energy: 0.9330050787235824
Energy: 0.9117605957993159
Energy: 0.9271673848563867
Energy: 0.96484442702866
Energy: 0.961037008509972
Energy: 0.9577525653043977
Energy: 0.9747872444692985
Energy: 0.9006102997913189
Energy: 0.9821743356304767
Energy: 0.970485702298731
Energy: 0.9809028590356329
Energy: 0.87029597020669
Energy: 0.9058445076490864
Energy: 0.8976445154126566
Energy: 1.0447473512939587
Energy: 0.990356186822896
Energy: 0.9092219085537749
Energy: 0.947793006875297
Energy: 0.8396514875404996
Energy: 0.8951266530745995
Energy: 0.9636114362271532
Energy: 0.874723251555729
Energy: 0.8864414062400168
Energy: 1.0183274095816441
Energy: 1.0082252950573376
Energy: 0.981902456251699
Energy: 1.0141574611599777
Energy: 0.9121098427445155
Energy: 0.8900206593708068
Energy: 0.888449934438255
Energy: 0.955914231611906
Energy: 0.9496827727839102
Energy: 0.9848441342097524
Energy: 0.9262693699510428
Energy: 0.8733584942873606
Energy: 0.8974990660920383
Energy: 0.9068973378562092
Energy: 0.9670097709363051
Energy: 0.9629737590131041
Energy: 0.8704873165575882
Energy: 0.9273314021004694
Energy: 1.0190295473403572
Energy: 0.9962913220916233
Energy: 0.9620105693644206
Energy: 0.9812077520600256
Energy: 0.9760059431799378
Energy: 0.8945381957596803
Energy: 0.8925313508160283
Energy: 0.8724821080229961
Energy: 1.0017011371551692
Energy: 0.9820146633606439
Energy: 0.8965643944971361
Energy: 0.9305423203393133
Energy: 0.9455721665845545
Energy: 0.8921508592291962
Energy: 0.9317351756620254
Energy: 0.9425795392684841
Energy: 0.8995064987359433
Energy: 0.9398498216967338
Energy: 0.9405423957751315
Energy: 0.8695146961027364
Energy: 0.936033038306103
Energy: 0.9415068502356245
Energy: 0.9258785916211454
Energy: 0.8784312770226528
Energy: 0.9752769161631878
Energy: 0.9833973863941723
Energy: 0.9781669450016935
Energy: 0.9667891845855857
Energy: 0.9620610070086717
Energy: 1.0033966534660386
Energy: 0.9907875094373008
Energy: 0.91163008523463
Energy: 0.9942537609950509
Energy: 0.9461048847266945
Energy: 1.0432599073780267
Energy: 0.9613963184710357
Energy: 1.02183834298519
Energy: 1.0151310054577094
Energy: 0.9961584477899099
Energy: 0.9584377805597889
Energy: 0.9381270770029373
Energy: 0.99803572541259
Energy: 0.9788780995676047
Energy: 1.007673278744732
Energy: 0.9537947170443071
Energy: 0.9951715271312378
Energy: 0.9551796323213853
Energy: 1.0290479532104322
Energy: 1.060429016961911
Energy: 1.0617874030043641
Energy: 1.0463005432482806
Energy: 1.096825035789784
Energy: 0.9379862338110153
Energy: 1.0855173343040372
Energy: 0.9903809243369467
Energy: 1.0768725440451092
Energy: 0.9998533193707191
Energy: 1.0182572509595667
Energy: 1.0235161981879781
Energy: 0.9971646441648774
Energy: 1.144295349652767
Energy: 1.0300705386488747
Energy: 1.0537406761976658
Energy: 1.003806426893978
Energy: 1.0325764697520206
Energy: 0.9639784446133729
Energy: 0.9720951783802437
Energy: 0.996138950283292
Energy: 1.033765560904622
Energy: 1.0441883109226013
Energy: 0.9984827324389546
Energy: 0.9961211023557255
Energy: 0.9380956385824293
Energy: 0.9706197984540047
Energy: 0.9655895232055277
Energy: 0.9747848687823116
Energy: 1.0453261598810832
Energy: 1.0318465190064408
Energy: 1.0498985580628832
Energy: 1.0417981037298631
Energy: 0.9873539083370511
Energy: 1.0913642863673152
Energy: 1.0732182567246915
Energy: 1.0563088671865606
Energy: 1.0174212234607916
Energy: 1.0301227622715539
Energy: 1.066089523405171
Energy: 0.9191349648985399
Energy: 0.9452670121724013
Energy: 0.9444070117916221
Energy: 1.0544473934821204
Energy: 1.0182217981365418
Energy: 1.0259034703857486
Energy: 0.9529115268852475
Energy: 0.99487801571564
Energy: 0.918758694196814
Energy: 0.986461198014634
Energy: 1.075134656628831
Energy: 0.990155556652031
Energy: 0.9746531321357034
Energy: 1.0573324954189969
Energy: 0.9999343160648345
Energy: 1.0575014910238736
Energy: 1.0028927083510915
Energy: 1.0712954897220088
Energy: 0.9667480483425972
Energy: 1.0016552129552776
Energy: 0.9823674179903776
Energy: 0.9845920249580066
Energy: 1.004153860531123
Energy: 0.9123175819005752
Energy: 0.9475694279396268
Energy: 0.9728014669634785
Energy: 0.9290004058506194
Energy: 0.913680315210735
Energy: 0.935462110980772
Energy: 1.025611230595561
Energy: 0.952196445984629
Energy: 0.9583177218496438
Energy: 1.0089643080490192
Energy: 0.9693115736544198
Energy: 0.9702154648552119
Energy: 0.9800330854114802
Energy: 0.9676204519840028
Energy: 0.9043092590738908
Energy: 0.9035277010823459
Energy: 0.8687690587240781
Energy: 1.0459135055587185
Energy: 0.9910359678821978
Energy: 0.8749936482529579
Energy: 0.9485027701490478
Energy: 0.8397123500370854
Energy: 0.8963341761527674
Energy: 0.9887585266945289
Energy: 0.8796286004620862
Energy: 0.9858084181261233
Energy: 1.0280701422620302
Energy: 1.0110989791546638
Energy: 0.9276088026337254
Energy: 0.9989861121769624
Energy: 0.9766253535861728
Energy: 0.8903288087114827
Energy: 0.898499135866459
Energy: 0.9837257607642723
Energy: 0.9382818424628572
Energy: 0.9842243175794497
Energy: 0.9211651451485219
Energy: 0.8964746317117149
Energy: 0.8962753912751342
Energy: 0.9070179397778683
Energy: 0.9723275345703193
Energy: 0.9636572020276739
Energy: 0.8684131830316204
Energy: 0.9090651448764162
Energy: 1.0141715306010208
Energy: 0.9125374143917523
Energy: 0.9871076685378937
Energy: 0.98211646291021
Energy: 0.9721618511249641
Energy: 0.9386786817962659
Energy: 0.8932359049115368
Energy: 0.8727833293464736
Energy: 1.0024107611258448
Energy: 0.9844107552881904
Energy: 0.9222834075263734
Energy: 0.9307990131795791
Energy: 0.9426416633486462
Energy: 0.8929074460478077
Energy: 1.0152999916642524
Energy: 0.9478112604724741
Energy: 0.8893849194425887
Energy: 1.0157906525003522
Energy: 0.9946840829377472
Energy: 0.8671943680137258
Energy: 1.0322570996126672
Energy: 0.9688789410510654
Energy: 0.8727426105793917
Energy: 0.8786742634397504
Energy: 0.9125082195275109
Energy: 0.9354324329679095
Energy: 0.9745306490258749
Energy: 0.9693227720093548
Energy: 0.9550210937229496
Energy: 0.9605011376337284
Energy: 0.9992837420479858
Energy: 0.9693535151837177
Energy: 0.9944933229284215
Energy: 0.9455241681831668
Energy: 0.9847357345240879
Energy: 0.9593626650860847
Energy: 0.9402869080444602
Energy: 1.014573607997795
Energy: 0.9565906150090699
Energy: 0.9556526608253867
Energy: 0.9381118368902953
Energy: 0.9990296809670605
Energy: 0.9785527993579589
Energy: 1.006686558970521
Energy: 0.9863814062916636
Energy: 1.0090241409139553
Energy: 0.9565986679991234
Energy: 1.027824262558572
Energy: 1.0557841099238812
Energy: 0.9840130170455121
Energy: 1.0849532871855365
Energy: 1.0610092198071084
Energy: 1.0033673314858433
Energy: 1.079858827868951
Energy: 0.989873809199901
Energy: 1.0732346223755798
Energy: 1.0027460571508837
Energy: 0.9749779015844919
Energy: 1.0235992205517637
Energy: 1.0016707284532786
Energy: 1.1411043374238408
Energy: 1.0287598615558036
Energy: 1.0504782902181145
Energy: 0.998418211540881
Energy: 1.0265962068406442
Energy: 0.9379463974817832
Energy: 0.9711458098732795
Energy: 0.9656590888626677
Energy: 1.0370965527396165
Energy: 1.0423575614075957
Energy: 0.9945984537936391
Energy: 1.0141622167202977
Energy: 0.9637697718981463
Energy: 0.9600143164091849
Energy: 1.055481001874751
Energy: 0.9409607745984105
Energy: 1.0482681794484787
Energy: 1.009785850255136
Energy: 1.0504568599605404
Energy: 1.042439751241553
Energy: 1.010694151870439
Energy: 1.0910380115674638

minimum gb energy = 0.8396514875404996 eV
minimum distance =  2.45105582295698 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.9198203757568614
Energy: 1.0504807083015635
Energy: 0.8893500962081183
Energy: 0.8910704151149981
Energy: 0.8928311901656778
Energy: 0.8890126677650884
Energy: 0.8885975333806377
Energy: 0.9027896528201798
Energy: 1.0297134041289586
Energy: 0.859034765579658
Energy: 0.8767948549742438
Energy: 0.8580703655314594
Energy: 0.8587786903720639
Energy: 1.0277585745183018
Energy: 0.9059646059395225
Energy: 1.0438945251607328
Energy: 0.8590359524592613
Energy: 0.8768551257993594
Energy: 0.8752011190618838
Energy: 0.8585100123801995
Energy: 0.8783690766953977
Energy: 0.906325267329325
Energy: 1.0600046697269414
Energy: 0.8584532330614731
Energy: 0.8777445939576038
Energy: 0.8756763556229801
Energy: 0.8580268275652035
Energy: 0.879881730527253
Energy: 0.924418786047096
Energy: 1.0269127954093429
Energy: 0.8621127395055382
Energy: 1.0340434601409094
Energy: 0.8569251705809444
Energy: 0.8633640790854409
Energy: 1.0266060047094916
Energy: 0.9068451726918269
Energy: 1.0666289211585769
Energy: 0.8764747744257604
Energy: 0.8903230534602755
Energy: 0.8924060923129843
Energy: 0.8780813289437707
Energy: 0.8855572152089738
Energy: 0.9060636870016201
Energy: 1.0274207414216403
Energy: 0.8595422094683851
Energy: 0.8748965944860083
Energy: 0.8574433718067948
Energy: 0.8595344966392551
Energy: 1.0330821485228365
Energy: 0.9059498579810283
Energy: 1.0297048563561921
Energy: 0.8597833583460431
Energy: 0.8750597009630096
Energy: 0.8562316651170434
Energy: 0.8598513769328933
Energy: 1.0307766618106617
Energy: 0.907832903237628
Energy: 1.0659578372064427
Energy: 0.8580501010163266
Energy: 0.8883445135610546
Energy: 0.8914470027003897
Energy: 0.8742882873871195
Energy: 0.8831114794930676
Energy: 0.9307648289031167
Energy: 1.0285575002314817
Energy: 0.8398218528167948
Energy: 1.031847950403352
Energy: 1.032254543670413
Energy: 0.8662576348773622
Energy: 1.0232878674880446
Energy: 0.9072133953332795
Energy: 1.0523499320167253
Energy: 0.8583014721476551
Energy: 0.8878620788296511
Energy: 0.8903182288257898
Energy: 0.8576181588699726
Energy: 0.8816237320585292
Energy: 0.9051879790020425
Energy: 1.031385242194678
Energy: 0.8599921278242832
Energy: 0.8762634191674012
Energy: 0.874998221237319
Energy: 0.859706351334736
Energy: 1.0323198150845019
Energy: 0.9065983185626657
Energy: 1.0318510572817896
Energy: 0.8598472475033517
Energy: 0.8749731934541788
Energy: 0.8585150402933656
Energy: 0.8592955994987496
Energy: 1.031116727721886
Energy: 0.9060573617764326
Energy: 1.0650206895475989
Energy: 0.8792602939050362
Energy: 0.8908545291647978
Energy: 0.8932829454887107
Energy: 0.8827407880795691
Energy: 0.887352821619864
Energy: 0.9226040009109983
Energy: 1.0279775230991872
Energy: 0.8362486459557209
Energy: 0.8570848799005437
Energy: 0.8577795282234194
Energy: 0.8586303653016404
Energy: 1.0265581214740815
Energy: 0.9066805785176094
Energy: 1.0602551251881531
Energy: 0.8585895771641504
Energy: 0.8849194903456905
Energy: 0.8753590089521972
Energy: 0.8575184342031813
Energy: 0.8795129491875737
Energy: 0.905933666888675
Energy: 1.0480172766817561
Energy: 0.8580540232230842
Energy: 0.8769821820748386
Energy: 0.8753071632233868
Energy: 0.8584903256089172
Energy: 0.8786839378117284
Energy: 0.9226080552661834
Energy: 1.0289110009146964
Energy: 0.8588180800701903
Energy: 0.8558001866899462
Energy: 0.8569527217066778
Energy: 0.8580016271179004
Energy: 1.0269220942244142
Energy: 0.9020768441613606
Energy: 1.0606418947015959
Energy: 0.8849582977604051
Energy: 0.8916379667696654
Energy: 0.893241705160083
Energy: 0.8858179257287746
Energy: 0.888139011297256
Energy: 0.9059838442862663
Energy: 1.0312397093165604
Energy: 0.859258431834292
Energy: 0.8748049968781187
Energy: 0.8577290439426467
Energy: 0.8587819079746702
Energy: 1.03024431248838

minimum gb energy = 0.8362486459557209 eV
minimum distance =  2.5218661652871 Angstroms
sigma value = 23