Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 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=90.0
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: 0.013064800580098051
Energy: 0.10138532827354241
Energy: 0.47982984847457255
Energy: 0.5949243836908537
Energy: 0.10138532827354241
Energy: 0.5903993451972716
Energy: 0.10138532827354241
Energy: 0.5903993451972716
Energy: 0.47982984847457255
Energy: 0.10138532827354241
Energy: 0.013064800580098051
Energy: 0.10138532827354241
Energy: 0.5949243836908537
Energy: 0.5903993451972716
Energy: 0.10138532827354241
Energy: 0.5903993451972716

minimum gb energy = 0.013064800580098051 eV
minimum distance =  2.70008184076854 Angstroms
sigma value = 1


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

Energy: 1.0608233302641625
Energy: 0.7948596597149533
Energy: 0.7927151628200666
Energy: 0.7817738445744002
Energy: 0.760815694437185
Energy: 0.8435038600370582
Energy: 0.7608232167073666
Energy: 0.8435038600370582
Energy: 0.7944210333760358
Energy: 0.7954778385944171
Energy: 0.9100773091325074
Energy: 0.7954778385944171
Energy: 0.7629034059576516
Energy: 0.7604093668359818
Energy: 0.7614708144636669
Energy: 0.7604093668359818
Energy: 0.9901182005030265
Energy: 0.7621943370538198
Energy: 0.7625390137157899
Energy: 0.7621943370538198
Energy: 0.7952790365280451
Energy: 0.8338987940976077
Energy: 0.7620074227290465
Energy: 0.8338987940976077
Energy: 0.793966141790417
Energy: 0.8115925302611952
Energy: 0.8205004605489319
Energy: 0.8115925302611952
Energy: 0.7963402098419153
Energy: 0.7937396816521088
Energy: 0.8473531323180444
Energy: 0.7937396816521088
Energy: 0.8697170087358156
Energy: 0.847289201505371
Energy: 0.8406233672257527
Energy: 0.847289201505371
Energy: 0.8664116702992053
Energy: 0.8439216467144267
Energy: 0.8271123178199583
Energy: 0.8439216467144267
Energy: 0.8204878069505107
Energy: 0.8464025681916112
Energy: 0.8741579531710071
Energy: 0.8464025681916112
Energy: 0.7966574625508966
Energy: 0.8447939956460183
Energy: 0.8471697412823324
Energy: 0.8447939956460183
Energy: 0.7914156047048976
Energy: 0.8083023838776017
Energy: 0.7602609812661248
Energy: 0.8083023838769411
Energy: 0.7950012013256912
Energy: 0.8084603989192772
Energy: 0.8150429905449884
Energy: 0.8084603989192772
Energy: 0.8137083430698809
Energy: 0.7603445801120907
Energy: 0.7607590137594219
Energy: 0.76034458011143
Energy: 0.799848992990119
Energy: 0.7611938172421387
Energy: 0.7603709297688952
Energy: 0.7611938172421387
Energy: 0.799273196506666
Energy: 0.7948806267668269
Energy: 0.7579110149020514
Energy: 0.7948806267674876
Energy: 0.7613211630193277
Energy: 0.761458122605136
Energy: 0.7596675214355154
Energy: 0.761458122605136
Energy: 0.7590408099030926
Energy: 0.7951524359408715
Energy: 0.7952035227004068
Energy: 0.7951524359408715
Energy: 0.8232022299337001
Energy: 0.7607343121384637
Energy: 0.7633935187725427
Energy: 0.7607343121384637
Energy: 0.7619381004737246
Energy: 0.7614069606880032
Energy: 0.8420448817298605
Energy: 0.7614069606880032
Energy: 0.7617353459888606
Energy: 0.760265265945612
Energy: 0.7953068824223376
Energy: 0.760265265945612
Energy: 0.8431790789760222
Energy: 0.8124368620436375
Energy: 0.7917444817100249
Energy: 0.8124368620436375
Energy: 0.8469404813952818
Energy: 0.8123723262683273
Energy: 0.7994798755080008
Energy: 0.8123723262683273
Energy: 0.8412750433308294
Energy: 0.8456724077591145
Energy: 0.8709866683308911
Energy: 0.8456724077591145
Energy: 0.8280247539577402
Energy: 0.8438099895961495
Energy: 0.8677442244402174
Energy: 0.8438099895968102
Energy: 0.8693765885648528
Energy: 0.8448400510920474
Energy: 0.821948375604154
Energy: 0.8448400510920474
Energy: 0.8465076308361272
Energy: 0.8447925991768654
Energy: 0.7977493138322859
Energy: 0.8447925991768654
Energy: 0.7602485733648376
Energy: 0.8097185181692874
Energy: 0.7906163750748635
Energy: 0.8097185181692874
Energy: 0.7637168478887639
Energy: 0.8088040257346586
Energy: 0.7970382886726768
Energy: 0.8088040257346586
Energy: 0.7607287688835529
Energy: 0.7604348777888625
Energy: 0.7600886579939808
Energy: 0.7604348777888625
Energy: 0.7600601880157806
Energy: 0.7609057775925903
Energy: 0.7888642884696125
Energy: 0.7609057775925903
Energy: 0.7579993298440975
Energy: 0.7943880063080901
Energy: 0.7929449468613974
Energy: 0.7943880063080901

minimum gb energy = 0.7579110149020514 eV
minimum distance =  2.54164723759507 Angstroms
sigma value = 1


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

Energy: 1.2091386110693025
Energy: 0.8276726076018422
Energy: 0.8280146131747875
Energy: 0.8276726076018422
Energy: 0.7916311779459773
Energy: 0.8765254420167599
Energy: 0.7898973437593729
Energy: 0.8765254420175131
Energy: 0.8261616162437236
Energy: 0.8310919262943305
Energy: 0.9417102453779868
Energy: 0.8310919262943305
Energy: 0.7952638931528089
Energy: 0.7916701646848371
Energy: 0.7898667693684175
Energy: 0.7916701646848371
Energy: 0.7883205629456906
Energy: 0.7899152382078316
Energy: 0.791176011201948
Energy: 0.7899152382078316
Energy: 0.8387557331573331
Energy: 0.8303066250540544
Energy: 0.7906484886086026
Energy: 0.8303066250540544
Energy: 0.832853560117305
Energy: 0.8504715133372763
Energy: 0.8574213482442052
Energy: 0.8504715133365229
Energy: 0.8415425216313026
Energy: 0.8451651537094712
Energy: 0.9074524183009752
Energy: 0.8451651537102245
Energy: 0.8378652526314527
Energy: 0.8862592079774307
Energy: 0.8763846443809188
Energy: 0.8862592079774307
Energy: 0.9060809714925038
Energy: 0.8921568399174746
Energy: 0.84037132529338
Energy: 0.8921568399174746
Energy: 0.7966804397408012
Energy: 0.8489379204067602
Energy: 0.8372228367276671
Energy: 0.8489379204075135
Energy: 0.7937120443128635
Energy: 0.850497587677786
Energy: 0.838210061459248
Energy: 0.850497587677786
Energy: 0.7915202426559842
Energy: 0.7917079490451808
Energy: 0.79294925404942
Energy: 0.7917079490451808
Energy: 0.7912245480830424
Energy: 0.7906080199209502
Energy: 0.825284989947208
Energy: 0.7906080199209502
Energy: 0.7838378099232522
Energy: 0.8279639120475143
Energy: 0.8275750901714422
Energy: 0.8279639120475143
Energy: 0.7950252344471394
Energy: 0.7947006303099846
Energy: 0.7901198274250589
Energy: 0.7947006303099846
Energy: 0.8274445020160757
Energy: 0.8323408502179342
Energy: 0.7884455275527743
Energy: 0.8323408502179342
Energy: 0.829707706012425
Energy: 0.7909298026704389
Energy: 0.8663944547943856
Energy: 0.7909298026704389
Energy: 0.7908557241488479
Energy: 0.7902806683637494
Energy: 0.791817564970201
Energy: 0.7902806683637494
Energy: 0.8374542885598025
Energy: 0.7910535170899277
Energy: 0.7907645230548972
Energy: 0.7910535170899277
Energy: 0.8337487961449933
Energy: 0.8527360431008811
Energy: 0.9466864405270761
Energy: 0.8527360431008811
Energy: 0.8371367591126588
Energy: 0.8521605691906534
Energy: 0.8879133281923268
Energy: 0.8521605691899
Energy: 0.837511902686513
Energy: 0.8865876201489017
Energy: 0.8778305905949088
Energy: 0.8865876201489017
Energy: 0.8897609061077386
Energy: 0.888581513084202
Energy: 0.838311980174723
Energy: 0.888581513084202
Energy: 0.7940498177832352
Energy: 0.8488269161136007
Energy: 0.8370209999471551
Energy: 0.8488269161136007
Energy: 0.7943780081047817
Energy: 0.8492338770155019
Energy: 0.8393875719188917
Energy: 0.8492338770155019
Energy: 0.7914845033205692
Energy: 0.791448202629462
Energy: 0.7944492622049294
Energy: 0.791448202629462
Energy: 0.7910826831500541
Energy: 0.7917639499465862
Energy: 0.7859475821717652
Energy: 0.7917639499465862
Energy: 0.7830126257358018
Energy: 0.7935916675804946
Energy: 0.8278077089848848
Energy: 0.7935916675804946

minimum gb energy = 0.7830126257358018 eV
minimum distance =  2.50997923230466 Angstroms
sigma value = 25


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

Energy: 1.159491813357038
Energy: 0.8625478699247212
Energy: 0.8650719668195431
Energy: 0.844748547892057
Energy: 0.8256120645585867
Energy: 0.9094299424942794
Energy: 0.8243813923479129
Energy: 0.9094299424942794
Energy: 0.8610987410894995
Energy: 0.8650455786566629
Energy: 0.8906061519516707
Energy: 0.8650455786566629
Energy: 0.8318172222243748
Energy: 0.8263806414139797
Energy: 0.8242797614590688
Energy: 0.8263806414139797
Energy: 0.8230198232292742
Energy: 0.8240629443919794
Energy: 0.8260432741180076
Energy: 0.8240629443919794
Energy: 0.869327105649363
Energy: 0.8270341513640097
Energy: 0.8245544112663107
Energy: 0.8270341513640097
Energy: 0.8672926546636842
Energy: 0.9007275670197384
Energy: 0.8907681600097876
Energy: 0.9007275670197384
Energy: 0.8626407784906636
Energy: 0.9027698720427516
Energy: 0.8458526400757282
Energy: 0.9027698720427516
Energy: 0.8988708154828298
Energy: 0.8997461966710111
Energy: 0.8403655758850416
Energy: 0.8997461966710111
Energy: 0.8641242640155109
Energy: 0.9008517546555599
Energy: 0.826355168948588
Energy: 0.9008517546546843
Energy: 0.8105662718138784
Energy: 0.8241327518864167
Energy: 0.8234252538533224
Energy: 0.8241327518864167
Energy: 0.810080582075333
Energy: 0.8250667650403258
Energy: 0.8242791156315366
Energy: 0.8250667650394502
Energy: 0.8637919510122783
Energy: 0.8624692740775433
Energy: 0.8088826322164968
Energy: 0.8624692740775433
Energy: 0.8242538581204611
Energy: 0.8309962323872239
Energy: 0.8399438720499839
Energy: 0.8309962323872239
Energy: 0.8206388575690552
Energy: 0.8654353483838029
Energy: 0.8660984074551602
Energy: 0.8654353483838029
Energy: 0.8558687232554641
Energy: 0.8245785394875167
Energy: 0.8659047276093504
Energy: 0.8245785394875167
Energy: 0.8267865594946641
Energy: 0.8254994055573796
Energy: 0.8216151975458594
Energy: 0.8254994055573796
Energy: 0.8248175449640702
Energy: 0.8254788666984052
Energy: 0.8691040097619129
Energy: 0.8254788666984052
Energy: 0.8965239300252099
Energy: 0.90303347918096
Energy: 0.8698957034507528
Energy: 0.90303347918096
Energy: 0.8477822140037659
Energy: 0.9019180166172268
Energy: 0.8646211745852532
Energy: 0.9019180166172268
Energy: 0.8378382775839045
Energy: 0.8991436150373249
Energy: 0.8643063288860933
Energy: 0.8991436150373249
Energy: 0.8357873073138113
Energy: 0.9001592468449314
Energy: 0.8638006830770154
Energy: 0.9001592468449314
Energy: 0.8231013729345467
Energy: 0.8240416737289764
Energy: 0.8097973456766426
Energy: 0.8240416737289764
Energy: 0.8239275545779855
Energy: 0.825711390530648
Energy: 0.810767370234773
Energy: 0.825711390530648
Energy: 0.8077106577580746
Energy: 0.8301214663762052
Energy: 0.86531409436229
Energy: 0.8301214663762052

minimum gb energy = 0.8077106577580746 eV
minimum distance =  2.50362643054317 Angstroms
sigma value = 9


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

Energy: 1.0831558042176475
Energy: 0.898306520696819
Energy: 0.8991429495761392
Energy: 0.898306520696819
Energy: 0.89928422427257
Energy: 0.9368769617998577
Energy: 0.8640789165738536
Energy: 0.9368769617998577
Energy: 0.8987630342578343
Energy: 0.8989003685073512
Energy: 0.8890283132184955
Energy: 0.8989003685073512
Energy: 0.8660661469507553
Energy: 0.9378158168891068
Energy: 0.8637521076794311
Energy: 0.9378158168891068
Energy: 0.8955859749663669
Energy: 0.8655279263581223
Energy: 0.863901080396922
Energy: 0.8655279263581223
Energy: 0.866113761361441
Energy: 0.8674321980327645
Energy: 0.8670167406670614
Energy: 0.8674321980327645
Energy: 0.8895574550410238
Energy: 0.945425784484564
Energy: 0.8648154622409221
Energy: 0.945425784484564
Energy: 0.8663471970270628
Energy: 0.9470638066439127
Energy: 0.8649809441160119
Energy: 0.9470638066439127
Energy: 0.8648969759417501
Energy: 0.8663502866161326
Energy: 0.8326572460546757
Energy: 0.8663502866161326
Energy: 0.863319062084914
Energy: 0.8647508598250523
Energy: 0.8315125959016124
Energy: 0.86475085974882
Energy: 0.8285653946527985
Energy: 0.8987269476425824
Energy: 0.8977936030801534
Energy: 0.8987269476425824
Energy: 0.8920159521172428
Energy: 0.876339314247907
Energy: 0.8644431260527443
Energy: 0.876339314247907
Energy: 0.8998681065710112
Energy: 0.899081223807499
Energy: 0.8898270921436019
Energy: 0.899081223807499
Energy: 0.9009023538675381
Energy: 0.9362133973121799
Energy: 0.8904951237087362
Energy: 0.9362133973121799
Energy: 0.8587894327547052
Energy: 0.8661595521573566
Energy: 0.8656429915608106
Energy: 0.8661595521573566
Energy: 0.8668845801122383
Energy: 0.8653470723840271
Energy: 0.8660135717902786
Energy: 0.8653470723829826
Energy: 0.8928071950424923
Energy: 0.9453677885723994
Energy: 0.8642945918654951
Energy: 0.9453677885723994
Energy: 0.8867917741355941
Energy: 0.9420501303051502
Energy: 0.865678488221548
Energy: 0.9420501303051502
Energy: 0.8621969807970908
Energy: 0.8659540021269972
Energy: 0.8317313011389879
Energy: 0.8659540021269972
Energy: 0.8638872526304167
Energy: 0.8752423293154382
Energy: 0.8325075769838161
Energy: 0.8752423293154382
Energy: 0.8283530023290211
Energy: 0.8763984678351697
Energy: 0.9000222117449399
Energy: 0.8763984678351697

minimum gb energy = 0.8283530023290211 eV
minimum distance =  2.49682911125787 Angstroms
sigma value = 25


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

Energy: 0.9686203753575862
Energy: 0.9259436846752628
Energy: 0.9268312149537903
Energy: 0.9066631903835431
Energy: 0.9275567927428392
Energy: 0.9196280504865211
Energy: 0.8747945427576247
Energy: 0.9196280504865211
Energy: 0.9257702826749307
Energy: 0.9253555236772562
Energy: 0.9175435714955772
Energy: 0.9253555236772562
Energy: 0.9275632157345733
Energy: 0.9198313303192984
Energy: 0.876014310704228
Energy: 0.9198313303192984
Energy: 0.8681910299582293
Energy: 0.9222135434010174
Energy: 0.8764353213032072
Energy: 0.9222135434281462
Energy: 0.8505924915950962
Energy: 0.8744188834679851
Energy: 0.8735290355892975
Energy: 0.8744188834201867
Energy: 0.8464379680810956
Energy: 0.922951972817735
Energy: 0.8761274971538119
Energy: 0.9229519728164433
Energy: 0.8453545433132053
Energy: 0.9208041343974132
Energy: 0.8771235309274662
Energy: 0.9208041343974132
Energy: 0.9234578842258945
Energy: 0.9255464926695848
Energy: 0.9896465156169212
Energy: 0.9255464926695848
Energy: 0.9269649034692621
Energy: 0.9209726221800397
Energy: 0.9300016066499414
Energy: 0.9209726221787481
Energy: 0.9171044486999729
Energy: 0.92649213000356
Energy: 0.9290045728414152
Energy: 0.9264921300022682
Energy: 0.9167034524552408
Energy: 0.9225432841591124
Energy: 0.9269815850156752
Energy: 0.9225432841591124
Energy: 0.8745280456377835
Energy: 0.8780599935886897
Energy: 0.9071785737692146
Energy: 0.8780599949367985
Energy: 0.8762472460961007
Energy: 0.8756609993886086
Energy: 0.8528054020765531
Energy: 0.8756610018665618
Energy: 0.8773474823726438
Energy: 0.9236727320200492
Energy: 0.8450110219592787
Energy: 0.9236727320200492
Energy: 0.8747685266830291
Energy: 0.9532964036458766
Energy: 0.8449972673865942
Energy: 0.9532964036458766
Energy: 0.844257781175203
Energy: 0.8514484190602314
Energy: 0.9265862956892642
Energy: 0.8514484190602314

minimum gb energy = 0.844257781175203 eV
minimum distance =  2.56955368790138 Angstroms
sigma value = 17


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

Energy: 1.3571855489060023
Energy: 0.990204404335837
Energy: 0.9868130217892224
Energy: 0.9717230802047707
Energy: 0.9071974316414924
Energy: 0.9334838894047327
Energy: 0.9946590924645969
Energy: 0.9334838894047327
Energy: 0.906579657047939
Energy: 0.908338477577047
Energy: 0.9850383666389833
Energy: 0.908338477577047
Energy: 0.9089590453657969
Energy: 0.9649886580364073
Energy: 0.9267666344681937
Energy: 0.9649886580364073
Energy: 0.9084048190607303
Energy: 0.9819897262450771
Energy: 0.9083334988707272
Energy: 0.9819897262450771
Energy: 0.9290537081733697
Energy: 0.9717749100057418
Energy: 0.9074829762858052
Energy: 0.9717749100050102
Energy: 0.936443378299306
Energy: 0.9064095877113509
Energy: 0.9048942090170171
Energy: 0.9064095877113509
Energy: 0.9915867144048491
Energy: 0.9286404316122454
Energy: 0.9054027168518021
Energy: 0.9286404316122454
Energy: 0.990470557199077
Energy: 0.9905812255064824
Energy: 0.9801582670649459
Energy: 0.9905812255064824
Energy: 0.9923541717121178
Energy: 0.9705963837833802
Energy: 0.9757243432979597
Energy: 0.9705963837833802
Energy: 0.9049632386794964
Energy: 0.9031145648003714
Energy: 0.8829609962257823
Energy: 0.9031145648003714
Energy: 0.9880584154150691
Energy: 0.8988984631183219
Energy: 0.8897465509249266
Energy: 0.8988984631183219
Energy: 0.9634565740316062
Energy: 0.9037861915303955
Energy: 0.8989164483236615
Energy: 0.903786191535517
Energy: 0.9416222410059609
Energy: 0.92785431510755
Energy: 0.882797362696458
Energy: 0.9278543151068184
Energy: 0.9913386414669488
Energy: 0.9967997960281255
Energy: 0.9888451312605957
Energy: 0.9967997960281255
Energy: 0.9909240841397966
Energy: 1.0043228582029886
Energy: 1.0037658888092693
Energy: 1.0043228582029886
Energy: 0.9779759133762568
Energy: 0.9071966730406328
Energy: 0.9083288335484193
Energy: 0.9071966730406328
Energy: 0.9766503840528485
Energy: 0.9286432650585673
Energy: 0.9034291622956168
Energy: 0.9286432650585673
Energy: 0.9285072169981624
Energy: 0.9939008439821962
Energy: 0.9091302472606737
Energy: 0.9939008439821962
Energy: 0.9357580961477757
Energy: 0.9833996264262908
Energy: 0.9085345708679516
Energy: 0.9833996264255591
Energy: 0.9089017068892843
Energy: 0.9298796130383962
Energy: 0.9923000282454306
Energy: 0.9298796130383962
Energy: 0.9070897817033686
Energy: 0.9069560730871777
Energy: 0.9374516233049426
Energy: 0.9069560730871777
Energy: 0.93348597786191
Energy: 0.9684688702079076
Energy: 0.9922036779408905
Energy: 0.9684688702079076
Energy: 0.9800054806210464
Energy: 0.9905691649188708
Energy: 0.9859169857892754
Energy: 0.9905691649188708
Energy: 0.8883509172051132
Energy: 0.928617971817015
Energy: 0.9820296759696462
Energy: 0.928617971817015
Energy: 0.8897582060337667
Energy: 0.9035198734203461
Energy: 0.9466419569499094
Energy: 0.9035198734203461
Energy: 0.8828469125339214
Energy: 0.8858626896082753
Energy: 0.9866916892695167
Energy: 0.8858626896082753
Energy: 0.9011675706880412
Energy: 0.9045226118678868
Energy: 0.9414684822081212
Energy: 0.9045226118678868
Energy: 0.8850050947000662
Energy: 0.9298130347636421
Energy: 0.9414509448893007
Energy: 0.9298130347636421
Energy: 1.027527469211381
Energy: 0.9903554219718764
Energy: 0.986263088129778
Energy: 0.9903554219718764

minimum gb energy = 0.882797362696458 eV
minimum distance =  2.52006136894596 Angstroms
sigma value = 53


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

Energy: 1.233729599579209
Energy: 0.923432157483414
Energy: 0.9160480521461221
Energy: 0.923432157483414
Energy: 0.9225397556141032
Energy: 0.8704701844802256
Energy: 0.9224454044210629
Energy: 0.8704701844802256
Energy: 0.9160209005152483
Energy: 0.9212664482781083
Energy: 0.9498617482694305
Energy: 0.9212664482764241
Energy: 0.9321920524037223
Energy: 0.8700825459166261
Energy: 0.9968837453765894
Energy: 0.8700825459166261
Energy: 0.9305394123857268
Energy: 0.8844778777382413
Energy: 0.8064919269188419
Energy: 0.8844778777382413
Energy: 0.9932474065379967
Energy: 0.8724453707492387
Energy: 0.8051584561918613
Energy: 0.8724453707492387
Energy: 1.0121800464206097
Energy: 0.9279288454842771
Energy: 0.9198592902045547
Energy: 0.9279288454842771
Energy: 1.012314892064022
Energy: 0.8714822906483577
Energy: 0.9243760945726051
Energy: 0.8714822906483577
Energy: 0.9158414364777452
Energy: 0.9226253980291409
Energy: 0.9148272056353894
Energy: 0.9226253980274565
Energy: 0.9307269503215614
Energy: 0.8716197567673167
Energy: 0.9236099411407939
Energy: 0.8716197567673167
Energy: 0.9289905284265031
Energy: 0.8741772879118667
Energy: 0.80545076472678
Energy: 0.8741772879118667
Energy: 0.9321642233985714
Energy: 0.8706594438748834
Energy: 0.8076211892926615
Energy: 0.8706594438748834
Energy: 1.0129607835805292
Energy: 0.8721504387806708
Energy: 0.9265387762305929
Energy: 0.8721504387806708

minimum gb energy = 0.8051584561918613 eV
minimum distance =  2.55249394949524 Angstroms
sigma value = 9


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

Energy: 1.210887090559486
Energy: 1.0220386056175592
Energy: 1.021124170275632
Energy: 1.0015259169503459
Energy: 0.9032163511959461
Energy: 0.8941243416781117
Energy: 1.0231030051833068
Energy: 0.8941243416781117
Energy: 0.8892877816582997
Energy: 0.8985264087773148
Energy: 1.048297008977866
Energy: 0.8985264087779382
Energy: 0.8897385678946287
Energy: 0.8922273628797243
Energy: 1.1269957955060281
Energy: 0.8922273628803478
Energy: 0.8946136560870664
Energy: 0.897757167532903
Energy: 1.0714292854953493
Energy: 0.897757167532903
Energy: 0.8999435115740022
Energy: 0.895117880704802
Energy: 1.0710480158192164
Energy: 0.8951178807054254
Energy: 1.0159286952808193
Energy: 1.0223542774249754
Energy: 1.0256616963625864
Energy: 1.0223542774249754
Energy: 1.0487462906731533
Energy: 0.8930898156966102
Energy: 1.0251843026497518
Energy: 0.8930898156966102
Energy: 0.9382853044145926
Energy: 0.9765242873285832
Energy: 0.9670689935096453
Energy: 0.9765242873285832
Energy: 0.8956797397387133
Energy: 0.9832251460241916
Energy: 1.0648564413264245
Energy: 0.9832251460241916
Energy: 0.9395516950050936
Energy: 0.9385813189005399
Energy: 1.0127152468039426
Energy: 0.9385813189005399
Energy: 0.9310202597293037
Energy: 0.9357290335631607
Energy: 1.0656797382048926
Energy: 0.9357290335637842
Energy: 1.0583634405401359
Energy: 0.9384608433302811
Energy: 0.9359049750692129
Energy: 0.9384608433302811
Energy: 1.019686098016771
Energy: 0.9343473971735907
Energy: 0.9287788791975286
Energy: 0.9343473971735907
Energy: 1.0542289878608884
Energy: 0.9417077565280614
Energy: 0.9489956410967908
Energy: 0.9417077565280614
Energy: 1.027787123616142
Energy: 0.9828102746862495
Energy: 0.9469340432373718
Energy: 0.9828102746862495
Energy: 1.025784975439017
Energy: 0.8950627052115333
Energy: 0.9376339095557649
Energy: 0.8950627052115333
Energy: 1.018599459226875
Energy: 1.0217121539850125
Energy: 1.2078198418847286
Energy: 1.0217121539856358
Energy: 1.0246796577482529
Energy: 0.8935313809139901
Energy: 0.9395987357479391
Energy: 0.8935313809152369
Energy: 1.1267230630215717
Energy: 0.8916850380389099
Energy: 0.890570057065608
Energy: 0.8916850380389099
Energy: 1.0654420179247337
Energy: 0.8929464816485074
Energy: 0.8905047999233763
Energy: 0.8929464816485074
Energy: 1.0708178104261996
Energy: 0.8951527918006216
Energy: 0.894376457684052
Energy: 0.8951527918006216
Energy: 1.071270990702079
Energy: 0.8955405541698193
Energy: 0.900071604329242
Energy: 0.8955405541691958
Energy: 1.0245611065152898
Energy: 1.0225135941504326
Energy: 1.0632213422819137
Energy: 1.0225135941504326
Energy: 1.0284855023637496
Energy: 0.8929907185980138
Energy: 1.0490681915416578
Energy: 0.8929907185980138
Energy: 0.9676147655158004
Energy: 0.9844497677832248
Energy: 0.9377213978253557
Energy: 0.9844497677832248
Energy: 1.026113692650058
Energy: 0.9835471987263421
Energy: 0.8971651082489698
Energy: 0.9835471987263421
Energy: 1.0094456815557005
Energy: 0.9381148065287438
Energy: 0.9406672399152513
Energy: 0.9381148065287438
Energy: 1.097223221282335
Energy: 0.9317985423153597
Energy: 0.9305328397345026
Energy: 0.9317985423153597
Energy: 0.937371997555169
Energy: 0.9378958926344698
Energy: 1.0610525446848
Energy: 0.9378958926344698
Energy: 0.929605207627739
Energy: 0.933200209495048
Energy: 1.0779080271297417
Energy: 0.9332002094956713
Energy: 0.9478342841203342
Energy: 0.9406046435589536
Energy: 1.0764480121223752
Energy: 0.9406046435595768
Energy: 0.9492231670571034
Energy: 0.9829138764254237
Energy: 0.9731294756475258
Energy: 0.9829138764248002
Energy: 0.9377429562510053
Energy: 0.8956308864924941
Energy: 0.975061759349608
Energy: 0.8956308864576396
Energy: 1.0942730365030091
Energy: 1.0215934878959292
Energy: 1.0190682256167434
Energy: 1.0215934878959292

minimum gb energy = 0.8892877816582997 eV
minimum distance =  2.51130907084523 Angstroms
sigma value = 73


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

Energy: 1.2244125189131545
Energy: 0.9973127307257292
Energy: 0.9966266530137886
Energy: 0.9973127307257292
Energy: 0.9120054833745074
Energy: 0.9126697269534514
Energy: 0.9975545171215251
Energy: 0.9126697269247676
Energy: 0.9178626323527928
Energy: 0.9168712968754206
Energy: 1.090703769323968
Energy: 0.9168712968754206
Energy: 0.9083310479041226
Energy: 0.9148772999678507
Energy: 1.1409691106036686
Energy: 0.9148772999678507
Energy: 0.911899948943286
Energy: 0.9196893556106126
Energy: 1.0307942247989517
Energy: 0.9196893556106126
Energy: 0.9257114287327327
Energy: 0.9154978817317625
Energy: 1.0307115400287794
Energy: 0.9154978817307734
Energy: 0.9390964018135808
Energy: 1.0580169667681962
Energy: 1.0256337333150025
Energy: 1.0580169667681962
Energy: 0.938955061423446
Energy: 0.9358410453885214
Energy: 1.0290604149736415
Energy: 0.9358410453885214
Energy: 0.9415563435670126
Energy: 0.8929463239729898
Energy: 1.0299405519874731
Energy: 0.8929463239729898
Energy: 0.9431057267118641
Energy: 1.0034827391583212
Energy: 1.0528817786423532
Energy: 1.0034827391583212
Energy: 0.937119213725282
Energy: 0.8935003493648557
Energy: 0.8912270497276635
Energy: 0.8935003493658448
Energy: 0.9308369259824514
Energy: 0.890671033485447
Energy: 1.0548264595689307
Energy: 0.890671033485447
Energy: 1.0596792625427567
Energy: 0.948209417818088
Energy: 0.9529276154816062
Energy: 0.948209417818088
Energy: 1.0184454732224961
Energy: 0.9688762498680481
Energy: 0.9502590738656547
Energy: 0.9688762498680481
Energy: 1.049460803200095
Energy: 0.9638695264052064
Energy: 0.9414175724249504
Energy: 0.9638695264052064
Energy: 1.0307754031374454
Energy: 0.944403578218673
Energy: 0.9346042939599325
Energy: 0.944403578218673
Energy: 1.0628452433152538
Energy: 0.9705283886089995
Energy: 0.9384150848747826
Energy: 0.9705283886089995
Energy: 1.0022367377793748
Energy: 0.998754386500937
Energy: 1.0615028865149925
Energy: 0.998754386500937
Energy: 1.0077199266137593
Energy: 0.9736087926629746
Energy: 0.9745785889628144
Energy: 0.9736087926629746
Energy: 1.0252171523262705
Energy: 0.9739571904681052
Energy: 1.0212881716072042
Energy: 0.9739571904681052
Energy: 1.0336303223924228
Energy: 1.0029301246441258
Energy: 0.946573018016417
Energy: 1.0029301246431368
Energy: 1.078080331599374
Energy: 0.9953183907112291
Energy: 0.9951815765955323
Energy: 0.9953183907132073

minimum gb energy = 0.890671033485447 eV
minimum distance =  2.50608682250826 Angstroms
sigma value = 7


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

Energy: 1.3697671550330486
Energy: 1.0097562457941023
Energy: 1.0096559605469937
Energy: 1.0097562457941023
Energy: 0.926981663194242
Energy: 0.9496984903546835
Energy: 1.0108310942218712
Energy: 0.949698491547347
Energy: 0.9166119394209342
Energy: 0.9180743761109326
Energy: 1.0622752290906028
Energy: 0.9180743761109326
Energy: 0.9100756908607301
Energy: 0.9161578397617506
Energy: 1.098425966817744
Energy: 0.9161578397617506
Energy: 0.9189774137205171
Energy: 0.9145948228784162
Energy: 1.0793295252605313
Energy: 0.9145948228791156
Energy: 0.9253178126845915
Energy: 0.9172384520268122
Energy: 1.083028452601982
Energy: 0.9172384520268122
Energy: 0.9654307905149391
Energy: 0.9511043592192334
Energy: 0.9224189456900993
Energy: 0.9511043592192334
Energy: 0.9634109979736782
Energy: 0.9587075229519681
Energy: 0.9239749360067557
Energy: 0.9587075229526675
Energy: 1.0434569740053659
Energy: 0.9195659651821128
Energy: 0.9190639849774601
Energy: 0.9195659651821128
Energy: 1.1596825261865362
Energy: 0.9490852816265803
Energy: 0.9254828859400536
Energy: 0.9490852816272797
Energy: 1.045825507972403
Energy: 0.9197167354645525
Energy: 0.9056485256143033
Energy: 0.9197167354645525
Energy: 1.0275421765540238
Energy: 1.0266173612662013
Energy: 0.9621346719363724
Energy: 1.0266173612655018
Energy: 1.0327009044738464
Energy: 0.9421997137409998
Energy: 0.9320532566663595
Energy: 0.9421997137409998
Energy: 1.0416804223098486
Energy: 0.9303649687439945
Energy: 0.9598730399326556
Energy: 0.9303649687439945
Energy: 1.0479261511431408
Energy: 0.9584915634894369
Energy: 0.9610999147392592
Energy: 0.9584915634887373
Energy: 0.9232566907801458
Energy: 0.9273770284406202
Energy: 0.9574905850670944
Energy: 0.9273770284406202
Energy: 0.9230084861685927
Energy: 0.8930029699481999
Energy: 0.9522114767348431
Energy: 0.8930029699481999
Energy: 0.9534774308299083
Energy: 0.9506483453214797
Energy: 1.0609784426733768
Energy: 0.9506483453214797
Energy: 0.9471642905755331
Energy: 0.8974004842722542
Energy: 0.9586921376216968
Energy: 0.8974004842715546
Energy: 0.9411769980322785
Energy: 0.9562813497059046
Energy: 0.9224053413037248
Energy: 0.9562813497059046
Energy: 0.9452195965970311
Energy: 1.0080923325337126
Energy: 1.0383785096720377
Energy: 1.008092332532314
Energy: 0.96340957098335
Energy: 0.9516938391886206
Energy: 0.9235324498406788
Energy: 0.9516938391886206
Energy: 0.9628090904942875
Energy: 0.9203562800627982
Energy: 0.9224583845099198
Energy: 0.9203562800634978
Energy: 1.0693027291791635
Energy: 0.9208221411460852
Energy: 0.9133900219119582
Energy: 0.9208221411460852
Energy: 1.047742343761791
Energy: 0.919545015061362
Energy: 0.9196946138928164
Energy: 0.919545015061362
Energy: 1.0886135046394232
Energy: 0.9259488072538957
Energy: 0.930072194535615
Energy: 0.9259488072531965
Energy: 1.010824533430978
Energy: 1.0067328129750361
Energy: 1.2662892175990705
Energy: 1.0067328129750361
Energy: 1.0057339343255265
Energy: 0.9194681492214104
Energy: 1.0203034762479029
Energy: 0.9194681492214104
Energy: 1.0218355839276787
Energy: 0.9724413216796925
Energy: 1.009207215956382
Energy: 0.9724413216796925
Energy: 1.0205453863263314
Energy: 1.0145838524876687
Energy: 0.9601736140523882
Energy: 1.0145838524869695
Energy: 0.918210731715219
Energy: 1.004575276902673
Energy: 1.0037238802044584
Energy: 1.004575276902673

minimum gb energy = 0.8930029699481999 eV
minimum distance =  2.49543160730878 Angstroms
sigma value = 29


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

Energy: 0.8461114506236164
Energy: 0.8662983443166369
Energy: 0.928183939378385
Energy: 0.9201253026370128
Energy: 0.8997598394688135
Energy: 0.8890495955707055
Energy: 0.9005410322378247
Energy: 0.8890495955707055
Energy: 0.8728741756574429
Energy: 0.8655329839357748
Energy: 0.8525682326701944
Energy: 0.8655329839352875
Energy: 0.8625643553159952
Energy: 0.8668776044616552
Energy: 0.8715186477304663
Energy: 0.866877604458109
Energy: 0.8585677165867792
Energy: 0.8667002589326525
Energy: 0.8488749665456778
Energy: 0.8667002591350467
Energy: 0.8726263839793564
Energy: 0.8692222087083374
Energy: 0.8482693997658776
Energy: 0.8692222087080939
Energy: 0.8460302818714832
Energy: 0.8625598271479183
Energy: 0.8730417178550098
Energy: 0.862559826561498
Energy: 0.9012554081388737
Energy: 0.8720283649199887
Energy: 0.8601452711922002
Energy: 0.8720283649369067
Energy: 0.8505464978223408
Energy: 0.8669608158434311
Energy: 0.8647332718576491
Energy: 0.8669608158434311

minimum gb energy = 0.8460302818714832 eV
minimum distance =  2.52051583441017 Angstroms
sigma value = 5


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

Energy: 1.1117250039761088
Energy: 0.8787468604411425
Energy: 0.8862016167086352
Energy: 0.9160821680680434
Energy: 0.9589725090477025
Energy: 0.8778332896293789
Energy: 0.9917712310326592
Energy: 0.8778332896293789
Energy: 0.9917424583230637
Energy: 0.9485311844196418
Energy: 1.004077083001131
Energy: 0.9485311844196418
Energy: 0.8996040738087067
Energy: 0.949735203916052
Energy: 0.9524313156688565
Energy: 0.9497352039167127
Energy: 0.9341163100665849
Energy: 0.9065773838109423
Energy: 0.9877483346893441
Energy: 0.906577383811603
Energy: 0.8971496045819064
Energy: 0.8811133908771599
Energy: 0.9871766160361057
Energy: 0.8811133908771599
Energy: 0.8750250712577072
Energy: 0.8766133203233946
Energy: 0.9311299491690773
Energy: 0.8766133203233946
Energy: 0.8822832160152352
Energy: 0.87790844999762
Energy: 1.1073537127332915
Energy: 0.87790844999762
Energy: 0.886256194817075
Energy: 0.9069675784390153
Energy: 1.0755188629658619
Energy: 0.9069675784390153
Energy: 1.0039477068843883
Energy: 0.860065704656813
Energy: 0.8564660791451056
Energy: 0.860065704658795
Energy: 0.8813511500270027
Energy: 0.8514864867451577
Energy: 0.8505299623264773
Energy: 0.8514864867451577
Energy: 1.074281143168616
Energy: 0.8530927439115437
Energy: 0.8498706458593358
Energy: 0.8530927439115437
Energy: 0.8483043936203232
Energy: 0.8567880206400118
Energy: 0.8557055677579114
Energy: 0.8567880206400118
Energy: 0.876839502681588
Energy: 0.9095170134933874
Energy: 0.9923010691697214
Energy: 0.9095170134940481
Energy: 0.8752534475936827
Energy: 0.8792148437906204
Energy: 0.9926366303382881
Energy: 0.8792148437906204
Energy: 0.8776356873892928
Energy: 0.8768058615067994
Energy: 0.9616321052021144
Energy: 0.8768058615067994
Energy: 0.8794017301328014
Energy: 0.897439027404001
Energy: 0.9002938774907503
Energy: 0.897439027404001
Energy: 0.9920440218091654
Energy: 0.8780398098508967
Energy: 0.8545836828554212
Energy: 0.8780398098508967
Energy: 1.0050355767688006
Energy: 0.950222852335589
Energy: 0.9920905190241404
Energy: 0.950222852335589
Energy: 0.9293926927995814
Energy: 0.9546814601081771
Energy: 0.8981534424541079
Energy: 0.9546814601088378
Energy: 0.9868975152602025
Energy: 0.8799644412819282
Energy: 0.9399014419823893
Energy: 0.8799644412819282
Energy: 0.9879323475476572
Energy: 0.8965548455205522
Energy: 0.8981998333467391
Energy: 0.8965548455205522
Energy: 0.9393674268340786
Energy: 0.8766749612577548
Energy: 0.8752891199738266
Energy: 0.8766749612584156
Energy: 0.85201909742309
Energy: 0.8775182759870142
Energy: 0.8813318416482246
Energy: 0.877518275987675
Energy: 1.0806989095649027
Energy: 0.9045422289998731
Energy: 0.8793125482123452
Energy: 0.9045422289998731
Energy: 0.8561283015137696
Energy: 0.8622425312630477
Energy: 1.0040641510855943
Energy: 0.8622425312630477
Energy: 0.8540180964058975
Energy: 0.8512027509759172
Energy: 0.8847494295120594
Energy: 0.8512027509759172
Energy: 0.8655726765597995
Energy: 0.8520549711441807
Energy: 0.9108037860358156
Energy: 0.8520549711441807
Energy: 0.8550048424613103
Energy: 0.8619778472593411
Energy: 1.1059754641474706
Energy: 0.8619778472600018
Energy: 0.9935221375622386
Energy: 0.9058558671319488
Energy: 0.9673727982680929
Energy: 0.9058558671326095
Energy: 0.995072354783471
Energy: 0.8795405094412073
Energy: 0.8770249964177653
Energy: 0.879540509441868
Energy: 1.0254012130428514
Energy: 0.877049526705278
Energy: 0.875034989624581
Energy: 0.877049526705278
Energy: 0.9008120629524649
Energy: 0.903033944277032
Energy: 0.8779685929808468
Energy: 0.903033944277032

minimum gb energy = 0.8483043936203232 eV
minimum distance =  2.51010219763987 Angstroms
sigma value = 1


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

Energy: 1.161119777277049
Energy: 0.8510365731711796
Energy: 0.8503701224311062
Energy: 0.8510365731702662
Energy: 0.844017986645861
Energy: 0.8433782889194643
Energy: 0.8879937733309722
Energy: 0.8433782889194643
Energy: 0.885666591394081
Energy: 0.9346689236982522
Energy: 0.8634792712111299
Energy: 0.9346689236982522
Energy: 0.8654715466108371
Energy: 0.9355134836051533
Energy: 0.8862329263605326
Energy: 0.9355134836042397
Energy: 0.882855318874003
Energy: 0.8499004161856838
Energy: 0.878471349425076
Energy: 0.8499004161856838
Energy: 0.8603666543140994
Energy: 0.8514776181814959
Energy: 0.8769417765217555
Energy: 0.8514776181814959
Energy: 0.8387539360773705
Energy: 0.8408340686559949
Energy: 0.884593286481334
Energy: 0.8408340686559949
Energy: 0.8443862084999222
Energy: 0.8445895087311048
Energy: 0.8109477972916531
Energy: 0.8445895087311048
Energy: 0.8834368170153595
Energy: 0.8879333664655199
Energy: 0.8099922356535147
Energy: 0.8879333664655199
Energy: 1.0115674142878965
Energy: 0.8443433036855448
Energy: 0.8473724023822662
Energy: 0.8443433036855448
Energy: 0.8834648992294049
Energy: 0.8413331500084421
Energy: 0.8395439928304105
Energy: 0.8413331500084421
Energy: 0.809205641651077
Energy: 0.8470530873949741
Energy: 0.8590586110300934
Energy: 0.8470530873949741
Energy: 0.8130183675629395
Energy: 0.850980177681581
Energy: 0.8808932320109596
Energy: 0.8509801776824945
Energy: 0.8821842444546116
Energy: 0.9347871906789835
Energy: 0.8636870268202891
Energy: 0.9347871906789835
Energy: 0.8695903259385266
Energy: 0.9336167348273913
Energy: 0.8635271562408261
Energy: 0.9336167348273913
Energy: 0.8669023204437633
Energy: 0.8430378053283664
Energy: 0.8429540846567014
Energy: 0.8430378053274529
Energy: 0.883129143137722
Energy: 0.883022041249488
Energy: 0.8770238094838114
Energy: 0.8830220412485745
Energy: 0.8477194398444884
Energy: 0.8443535663481755
Energy: 0.877620613350023
Energy: 0.8443535663481755
Energy: 0.8402576750869745
Energy: 0.8430144798804854
Energy: 0.8102569471767259
Energy: 0.8430144798804854
Energy: 0.8432251528572651
Energy: 0.8617907342030985
Energy: 0.8157160146052423
Energy: 0.8617907342030985
Energy: 0.877234777957669
Energy: 0.8896434229833785
Energy: 0.8832612417609188
Energy: 0.8896434229833785
Energy: 0.8813182185134066
Energy: 0.8473490518723387
Energy: 0.8457925887350023
Energy: 0.8473490518714253
Energy: 0.8426867627484528
Energy: 0.8414732412427711
Energy: 0.8403074139636723
Energy: 0.8414732412418576
Energy: 0.8128357892910354
Energy: 0.8413249998875201
Energy: 0.8624468198565305
Energy: 0.8413249998820393

minimum gb energy = 0.809205641651077 eV
minimum distance =  2.48761083000509 Angstroms
sigma value = 17


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

Energy: 1.221272872156674
Energy: 0.8521624781682526
Energy: 0.9720556277500836
Energy: 0.8724400853022753
Energy: 0.8535476416485193
Energy: 0.8401628095621148
Energy: 0.9473649862965862
Energy: 0.8401628095621148
Energy: 1.0257669845841393
Energy: 0.9576238901590919
Energy: 0.9438592959243249
Energy: 0.9576238901590919
Energy: 1.0298305685899218
Energy: 1.016509081906271
Energy: 0.9718981710054229
Energy: 1.0165090819057063
Energy: 0.9395984069103409
Energy: 0.8236821121370683
Energy: 0.9342570109020936
Energy: 0.8236821121370683
Energy: 0.8319112161243376
Energy: 0.8254189988364784
Energy: 0.9477248108593339
Energy: 0.8254189988364784
Energy: 0.8205981193773528
Energy: 0.8198113271862101
Energy: 0.8892627789141375
Energy: 0.8198113271862101
Energy: 0.8368340691297408
Energy: 0.8217045686823606
Energy: 0.816498322183573
Energy: 0.8217045686829252
Energy: 0.9471193798892615
Energy: 0.822183949694831
Energy: 1.0254273660027284
Energy: 0.822183949694831
Energy: 0.9413727475596457
Energy: 0.8402657363393039
Energy: 0.9490605881570483
Energy: 0.8402657363393039
Energy: 0.9428182816318222
Energy: 0.9606358579793451
Energy: 0.8519972107344076
Energy: 0.9606358579793451
Energy: 0.9581325996196769
Energy: 0.8411117635489486
Energy: 0.9607035165462381
Energy: 0.8411117635489486
Energy: 0.8392443588742226
Energy: 0.857061901568233
Energy: 0.8720211509130348
Energy: 0.8570619015676685
Energy: 0.839966603551989
Energy: 0.8373488965122201
Energy: 0.8387143551273925
Energy: 0.8373488965122201
Energy: 1.0267682694563567
Energy: 0.8397962573747038
Energy: 0.8449081785833386
Energy: 0.8397962573747038
Energy: 0.818707573907734
Energy: 0.8395613113606527
Energy: 0.8386568809751381
Energy: 0.8395613113600882
Energy: 0.8593761591861904
Energy: 0.8441599049155086
Energy: 1.1231376222266116
Energy: 0.8441599049155086
Energy: 0.840931974006128
Energy: 0.8389105291968568
Energy: 0.9470701307830443
Energy: 0.8389105291974215
Energy: 0.8476952648675449
Energy: 0.8386357611081121
Energy: 1.035959735475087
Energy: 0.838635761109806
Energy: 0.8779780535483924
Energy: 0.9577309785009092
Energy: 0.8211838933113791
Energy: 0.9577309785009092
Energy: 0.9468918923582547
Energy: 0.8394862409956214
Energy: 0.857010458361727
Energy: 0.8394862409956214
Energy: 0.9448116216812854
Energy: 0.9582294532290896
Energy: 1.027973264708661
Energy: 0.9582294532290896
Energy: 0.8894850365194855
Energy: 0.8836397341155591
Energy: 1.0293046453831034
Energy: 0.8836397341155591
Energy: 0.9519093829256932
Energy: 0.829479371645033
Energy: 0.9390658483010901
Energy: 0.829479371645033
Energy: 0.9452172217298233
Energy: 0.8215534656381069
Energy: 0.8284587745130951
Energy: 0.8215534656386716
Energy: 0.9608851745243152
Energy: 0.8209125726820855
Energy: 0.8229678190614514
Energy: 0.8209125726820855
Energy: 0.8167953496906355
Energy: 0.8347655503528162
Energy: 0.8288267601313833
Energy: 0.8347655503528162
Energy: 0.9665562753635799
Energy: 0.8204644230471926
Energy: 0.9492983274486252
Energy: 0.8204644230471926
Energy: 0.9458346272183302
Energy: 0.8406809498562076
Energy: 0.9413700626947481
Energy: 0.8406809498477386
Energy: 0.8530128657270267
Energy: 0.9583514411063703
Energy: 0.9404767577358539
Energy: 0.9583514411046766
Energy: 0.9614597963574695
Energy: 0.8423643087043237
Energy: 0.9595838162626511
Energy: 0.8423643087043237
Energy: 0.8677231451029841
Energy: 0.864508099977713
Energy: 0.9580564670394196
Energy: 0.864508099977713
Energy: 0.8375391697479974
Energy: 0.8370451499346896
Energy: 0.8401910460671232
Energy: 0.8370451499346896
Energy: 0.8484269614015498
Energy: 0.8406983953779704
Energy: 1.0275328192055064
Energy: 0.8406983953779704
Energy: 0.8388562072496089
Energy: 0.8672839471813595
Energy: 0.8182253136866201
Energy: 0.8672839471813595
Energy: 1.1273656779938626
Energy: 0.8446199305057559
Energy: 0.8553283558575203
Energy: 0.8446199305057559
Energy: 0.9425676947052728
Energy: 0.8380534783390335
Energy: 0.8377757491766945
Energy: 0.8380534783390335
Energy: 1.0226180667286264
Energy: 0.8401796746600786
Energy: 0.8635173905843987
Energy: 0.8401796746600786

minimum gb energy = 0.816498322183573 eV
minimum distance =  2.48907177403335 Angstroms
sigma value = 89


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

Energy: 1.2539692034439016
Energy: 0.7725319740449169
Energy: 0.7793417381189852
Energy: 0.8111008691585618
Energy: 0.8294248495011572
Energy: 0.8491700517129519
Energy: 0.8278722019267143
Energy: 0.8491700517129519
Energy: 0.7644065233956213
Energy: 0.8492468087163747
Energy: 0.791430009150095
Energy: 0.8492468087163747
Energy: 0.7653017731911652
Energy: 0.8501733057662046
Energy: 0.8263738470558355
Energy: 0.8501733057662046
Energy: 0.7921662928520993
Energy: 0.772765334374634
Energy: 0.8186428473503047
Energy: 0.7727653343731566
Energy: 0.7746106349407924
Energy: 0.7730935073091375
Energy: 0.8184855341739041
Energy: 0.7730935073076602
Energy: 0.7710504222732715
Energy: 0.7704548981778229
Energy: 0.8284749696585865
Energy: 0.7704548981778229
Energy: 0.7745344517966537
Energy: 0.7751832132673202
Energy: 0.7714796510939377
Energy: 0.7751832132673202
Energy: 0.7908869964312759
Energy: 0.7729761360459797
Energy: 0.7644977559237245
Energy: 0.7729761360459797
Energy: 0.7927345074407471
Energy: 0.8512506255955996
Energy: 0.8286614159521818
Energy: 0.8512506255941223
Energy: 0.8282989005122122
Energy: 0.8517693679938474
Energy: 0.7623003049667685
Energy: 0.8517693679938474
Energy: 0.8190588606736461
Energy: 0.7755528316438879
Energy: 0.792968908911299
Energy: 0.7755528316424105
Energy: 0.8188116908190923
Energy: 0.7730139437148079
Energy: 0.7745614530246071
Energy: 0.7730139437162852
Energy: 0.826763976768486
Energy: 0.7698857159877771
Energy: 0.7694566105131515
Energy: 0.7698857159877771
Energy: 0.7647568410400809
Energy: 0.7724567005116758
Energy: 0.7730148358984591
Energy: 0.7724567005116758

minimum gb energy = 0.7623003049667685 eV
minimum distance =  2.50872452915331 Angstroms
sigma value = 13


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

Energy: 1.1285600149338415
Energy: 0.7483766306594392
Energy: 0.7495711741463232
Energy: 0.7483766344738033
Energy: 0.8762616003636444
Energy: 0.7435558312838427
Energy: 0.8442928781203498
Energy: 0.7435558312832234
Energy: 0.7465989159044607
Energy: 0.74194441198643
Energy: 0.8416933777098748
Energy: 0.74194441198643
Energy: 0.9260890186332399
Energy: 0.840809704625765
Energy: 0.8433050281915979
Energy: 0.8408097046251456
Energy: 0.8432580810847075
Energy: 0.7441416730243597
Energy: 0.8697126336579832
Energy: 0.7441416730243597
Energy: 0.8428214682322057
Energy: 0.7432752910227026
Energy: 0.8709527446892886
Energy: 0.7432752910227026
Energy: 0.8394226836786479
Energy: 0.7430869309623781
Energy: 0.8438547736091283
Energy: 0.7430869309617588
Energy: 0.790181850431029
Energy: 0.757699437344357
Energy: 0.8438217089215435
Energy: 0.7576994373437379
Energy: 0.7504423582231338
Energy: 0.7442494384959145
Energy: 0.8519077168894559
Energy: 0.7442494384959145
Energy: 0.7450589635488891
Energy: 0.7433485361209483
Energy: 0.8473258235995594
Energy: 0.7433485361209483
Energy: 0.7429516491111802
Energy: 0.7465832798118205
Energy: 1.1297688992223787
Energy: 0.74658327981987
Energy: 0.8731701291541563
Energy: 0.742119860002697
Energy: 0.8451682364441705
Energy: 0.7421198600020779
Energy: 0.8830734889661129
Energy: 0.7868498863888832
Energy: 0.8750209792592017
Energy: 0.7868498863888832
Energy: 0.8716787473664827
Energy: 0.8815528774468419
Energy: 0.9278633346067414
Energy: 0.8815528774468419
Energy: 0.838541746912885
Energy: 0.7462883550175561
Energy: 0.8703977711182287
Energy: 0.7462883550181753
Energy: 0.8428178449223468
Energy: 0.7440970120061987
Energy: 0.7530695853946618
Energy: 0.7440970120061987
Energy: 0.875687429512722
Energy: 0.7433509579205589
Energy: 0.7449613427859143
Energy: 0.7433509579205589
Energy: 0.7518166691045525
Energy: 0.7446997824168946
Energy: 0.7561037169463106
Energy: 0.7446997824397482
Energy: 0.9375227171205461
Energy: 0.7447934855488344
Energy: 0.8573632266490027
Energy: 0.7447934855488344
Energy: 0.8477424488532567
Energy: 0.7413003582319596
Energy: 0.8378795823010298
Energy: 0.7413003582319596
Energy: 0.9255615949575445
Energy: 0.7476854152637215
Energy: 0.8426549628965169
Energy: 0.7476854152643406
Energy: 0.8435563542737807
Energy: 0.7983816358478028
Energy: 0.8709814860567455
Energy: 0.7983816358478028
Energy: 0.8484484623617804
Energy: 0.7450293705013419
Energy: 0.869707458750474
Energy: 0.7450293705019609
Energy: 0.7473276738938609
Energy: 0.7413672467946726
Energy: 0.8430681283139739
Energy: 0.7413672468107715
Energy: 0.8673828481883259
Energy: 0.7575386727063437
Energy: 0.839200441303205
Energy: 0.7575386727063437
Energy: 0.7537166728862252
Energy: 0.7467433028328634
Energy: 0.8404614552438765
Energy: 0.7467433028328634
Energy: 0.742327997448779
Energy: 0.7420344683179425
Energy: 0.8571439665151884
Energy: 0.7420344683179425
Energy: 0.756727927423111
Energy: 0.7460372432809342
Energy: 0.7499525718071293
Energy: 0.7460372432809342
Energy: 0.878237718942113
Energy: 0.743571379008231
Energy: 0.9327829416427912
Energy: 0.7435713790088502
Energy: 0.8364705267823129
Energy: 0.7899306770154467
Energy: 0.8739919599662129
Energy: 0.7899306770148274
Energy: 0.8743571899877606
Energy: 0.8846315732911131
Energy: 0.9266589596819566
Energy: 0.8846315732911131
Energy: 0.8428213654676745
Energy: 0.7450958319196064
Energy: 0.8741242159801376
Energy: 0.7450958319196064
Energy: 0.8452487892554558
Energy: 0.7464183227145772
Energy: 0.752115300455346
Energy: 0.7464183227145772
Energy: 1.0273033610780238
Energy: 0.7422114186177934
Energy: 0.7424640929547468
Energy: 0.7422114186177934
Energy: 0.9297390591436828
Energy: 0.7481372707371288
Energy: 0.7440088454786554
Energy: 0.7481372707371288

minimum gb energy = 0.7413003582319596 eV
minimum distance =  2.49432283574376 Angstroms
sigma value = 37


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

Energy: 1.0872118384274376
Energy: 0.7035562567943203
Energy: 0.7059241007003254
Energy: 0.7035562568070794
Energy: 0.8589999091137455
Energy: 0.7047627744776608
Energy: 0.8652125306255213
Energy: 0.7047627744776608
Energy: 0.9284371332359426
Energy: 0.7864885489982513
Energy: 0.8629774263229829
Energy: 0.7864885489993165
Energy: 0.7611987248367152
Energy: 0.7685819605911398
Energy: 0.8698506006631459
Energy: 0.7685819605900744
Energy: 0.8585705772196331
Energy: 0.7873663604713715
Energy: 0.9153962582828177
Energy: 0.7873663604713715
Energy: 0.8602381384541639
Energy: 0.6913505464835674
Energy: 0.679296462702288
Energy: 0.6913505464835674
Energy: 0.763520678334704
Energy: 0.6907528446841691
Energy: 0.9979916032516881
Energy: 0.6907528446841691
Energy: 0.8051607388727411
Energy: 0.6871663315201182
Energy: 0.8140800457466562
Energy: 0.6871663315211836
Energy: 0.7668452796102553
Energy: 0.6934670943227924
Energy: 0.8129313982930687
Energy: 0.6934670943227924
Energy: 0.7615337332364553
Energy: 0.6802588822258635
Energy: 0.682127181705326
Energy: 0.6802588822258635
Energy: 0.7654627222449436
Energy: 0.7644185725555107
Energy: 0.9924807294582552
Energy: 0.7644185725555107
Energy: 0.9181734815575993
Energy: 0.6800274585790739
Energy: 0.6811756183515375
Energy: 0.6800274585790739
Energy: 0.9205561095197219
Energy: 0.7761171367325589
Energy: 0.934063752657042
Energy: 0.7761171367325589
Energy: 0.8045228875238924
Energy: 0.6811046351903757
Energy: 0.7590954687000498
Energy: 0.681104635188245
Energy: 0.9153962582828177
Energy: 0.775679744909439
Energy: 0.8474640061398174
Energy: 0.775679744909439
Energy: 0.8588326635908597
Energy: 0.7751795967409103
Energy: 0.8614972032430562
Energy: 0.7751795967409103
Energy: 1.0248669390657872
Energy: 0.7034804631248768
Energy: 0.7632030771335996
Energy: 0.7034804631248768
Energy: 0.8140800459383116
Energy: 0.7687626938430945
Energy: 0.7578561293635442
Energy: 0.7687626938430945
Energy: 0.8129313982930687
Energy: 0.7062666041171451
Energy: 0.7045124655350978
Energy: 0.7062666041171451
Energy: 0.8599517500601442
Energy: 0.7049988831120415
Energy: 0.7042402845217968
Energy: 0.7049988831120415

minimum gb energy = 0.679296462702288 eV
minimum distance =  2.4909252949832 Angstroms
sigma value = 25


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

Energy: 1.1995963525535003
Energy: 0.6357624305403238
Energy: 0.6313010104973433
Energy: 0.6357624307290786
Energy: 0.8991671805206359
Energy: 0.627277736766147
Energy: 0.752225641404354
Energy: 0.627277736766147
Energy: 0.9180619060448767
Energy: 0.6267473404729266
Energy: 0.7488004347564212
Energy: 0.6267473404729266
Energy: 0.9164397482158673
Energy: 0.6839259717732336
Energy: 0.777359046628666
Energy: 0.6839259717748972
Energy: 0.8994534372322172
Energy: 0.7466044536414482
Energy: 0.907029466568433
Energy: 0.7466044536414482
Energy: 0.9196672762085076
Energy: 0.6931100150134982
Energy: 0.9062640098517076
Energy: 0.6931100150134982
Energy: 0.9173631067917815
Energy: 0.6944364342071071
Energy: 0.8561122741495396
Energy: 0.6944364342071071
Energy: 0.7528052774757695
Energy: 0.6226883679333917
Energy: 0.934240637119434
Energy: 0.6226883679333917
Energy: 0.7505902160589235
Energy: 0.621550858641439
Energy: 0.8535191042102102
Energy: 0.621550858641439
Energy: 0.7533750442317456
Energy: 0.622172503102327
Energy: 0.8592353877660757
Energy: 0.622172503102327
Energy: 0.6843204711389181
Energy: 0.6182774513030014
Energy: 1.05317987638396
Energy: 0.6182774512963465
Energy: 0.6822599176949828
Energy: 0.6226927198820982
Energy: 0.860020131772291
Energy: 0.6226927198820982
Energy: 0.6822020108065993
Energy: 0.6164762237995313
Energy: 0.8521881550656746
Energy: 0.6164762237995313
Energy: 0.7214311596844349
Energy: 0.6220898339907633
Energy: 0.8587450839375307
Energy: 0.6220898339907633
Energy: 0.7968819955867327
Energy: 0.6148191532729822
Energy: 0.8543963297109375
Energy: 0.6148191532729822
Energy: 0.7977635568755101
Energy: 0.6231304816663664
Energy: 0.9180298574470169
Energy: 0.6231304816663664
Energy: 0.8986397950334113
Energy: 0.6156260201730068
Energy: 0.8259269984389338
Energy: 0.6156260201730068
Energy: 0.7917154972616758
Energy: 0.6926883628499498
Energy: 0.8570922378730518
Energy: 0.6926883628491181
Energy: 0.90452180120187
Energy: 0.6894641544057623
Energy: 0.9176976158142145
Energy: 0.6894641544057623
Energy: 0.8996225355794691
Energy: 0.688525682971966
Energy: 0.9187682836894736
Energy: 0.688525682971966
Energy: 1.0553946592926962
Energy: 0.6262706927525971
Energy: 0.7486105127422507
Energy: 0.6262706927525971
Energy: 0.9782101121382764
Energy: 0.6258128735743882
Energy: 0.6765696877485653
Energy: 0.6258128735743882
Energy: 0.9349054390466144
Energy: 0.6289510351860039
Energy: 0.7470452094872843
Energy: 0.6289510351860039
Energy: 0.9313675417833448
Energy: 0.6258477244822898
Energy: 0.6344253502450514
Energy: 0.6258477244822898
Energy: 0.882656380352496
Energy: 0.6265441222699414
Energy: 0.6276402386767717
Energy: 0.6265441222699414
Energy: 0.9140377165730155
Energy: 0.6311515411482637
Energy: 0.630921890503439
Energy: 0.6311515411482637

minimum gb energy = 0.6148191532729822 eV
minimum distance =  2.50072543467307 Angstroms
sigma value = 41


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

Energy: 1.2018362279797798
Energy: 0.5648988195165353
Energy: 0.570786496808307
Energy: 0.5976998163284813
Energy: 0.9679309854978342
Energy: 0.5661210977403451
Energy: 0.6654739347726529
Energy: 0.5661210977396631
Energy: 0.9548488114671165
Energy: 0.56487713033598
Energy: 0.6665325381683557
Energy: 0.56487713033598
Energy: 0.9576612946531763
Energy: 0.5700832839598944
Energy: 0.79073085074456
Energy: 0.5700832839598944
Energy: 0.9647937012596305
Energy: 0.5634582264000163
Energy: 0.8581526681874909
Energy: 0.5634582264000163
Energy: 0.9526126602029578
Energy: 0.5651694214979117
Energy: 0.8617081135720318
Energy: 0.5651694214979117
Energy: 0.9560433360834417
Energy: 0.6232376083685921
Energy: 0.9653694307577544
Energy: 0.6232376083692741
Energy: 0.8589843089241697
Energy: 0.6225315015039974
Energy: 0.8580458790276843
Energy: 0.6225315015039974
Energy: 0.7592493149473841
Energy: 0.6195553794310465
Energy: 0.9696520219489223
Energy: 0.6195553794310465
Energy: 0.7624093623993696
Energy: 0.5637141241563375
Energy: 0.9632493800685868
Energy: 0.5637141241563375
Energy: 0.6589637828954502
Energy: 0.5719737659534722
Energy: 1.0852759260671618
Energy: 0.5719737659534722
Energy: 0.6594092026448817
Energy: 0.5644106151387106
Energy: 1.0271207978914185
Energy: 0.5644106151380287
Energy: 0.6721550018812483
Energy: 0.5669309346897626
Energy: 0.960493534935113
Energy: 0.5669309346897626
Energy: 0.5748515123623724
Energy: 0.5751758575879989
Energy: 0.9604183876191196
Energy: 0.5751758575879989
Energy: 0.5645548802989925
Energy: 0.5665731249344853
Energy: 0.9656220403684002
Energy: 0.5665731249338032
Energy: 0.5721344385227957
Energy: 0.568914139577181
Energy: 0.9484440925325496
Energy: 0.568914139577181
Energy: 0.6604099183254913
Energy: 0.5692580998872299
Energy: 0.9485398677558862
Energy: 0.5692580998872299
Energy: 0.6585419324527503
Energy: 0.6577350247010022
Energy: 0.9610014281779343
Energy: 0.6577350247010022
Energy: 0.6737469435801189
Energy: 0.5680528552640687
Energy: 0.9529490816482515
Energy: 0.5680528552640687
Energy: 0.8639575469808201
Energy: 0.5660529444212331
Energy: 0.9502643776113355
Energy: 0.5660529444219149
Energy: 0.8605639498945546
Energy: 0.6213119433767569
Energy: 1.0270012447967227
Energy: 0.6213119433740291
Energy: 0.8652657562791727
Energy: 0.5655927853797699
Energy: 0.957379091090638
Energy: 0.565592785379088
Energy: 0.9700258630919616
Energy: 0.6193684038991243
Energy: 0.9516155962772547
Energy: 0.6193684038991243
Energy: 0.8575695906533272
Energy: 0.5682161042346302
Energy: 0.8673250140077288
Energy: 0.5682161042346302
Energy: 0.9648133604746679
Energy: 0.6213568161335977
Energy: 0.7508554710423971
Energy: 0.6213568161335977
Energy: 0.9654147877044809
Energy: 0.5660432740475959
Energy: 0.8633128389066197
Energy: 0.5660432740475959
Energy: 0.964988021598592
Energy: 0.568653520313654
Energy: 0.6588370353017027
Energy: 0.568653520313654
Energy: 1.032134752056527
Energy: 0.6575018408573675
Energy: 0.6568968948367077
Energy: 0.6575018408573675
Energy: 0.9619217510006378
Energy: 0.57141637672535
Energy: 0.6588010770953392
Energy: 0.57141637672535
Energy: 0.9634650101294466
Energy: 0.5692592339819014
Energy: 0.5644375397713111
Energy: 0.5692592339819014
Energy: 0.9622506365129571
Energy: 0.5649250849226738
Energy: 0.5658436984725903
Energy: 0.5649250849226738
Energy: 0.9560837705454196
Energy: 0.5709000706683209
Energy: 0.5650050759059679
Energy: 0.5709000706690031

minimum gb energy = 0.5634582264000163 eV
minimum distance =  2.51009478062247 Angstroms
sigma value = 15


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

Energy: 1.0988914577388311
Energy: 0.5325123864343032
Energy: 0.5330864424151265
Energy: 0.5325123867703875
Energy: 1.010413889762254
Energy: 0.5283325490073981
Energy: 0.6116351779614143
Energy: 0.5283325490085536
Energy: 1.0202616675068892
Energy: 0.5275035199789972
Energy: 0.6112176318469213
Energy: 0.5275035199795749
Energy: 1.0378216567116785
Energy: 0.5698031686050498
Energy: 0.7921407742610215
Energy: 0.5698031686050498
Energy: 1.007569021069711
Energy: 0.5636700602339152
Energy: 0.774560661620055
Energy: 0.5636700602339152
Energy: 1.0325811026660319
Energy: 0.5259140468704285
Energy: 0.779684544379058
Energy: 0.5259140468686955
Energy: 0.8954065012768879
Energy: 0.5321651575110597
Energy: 0.9352844256778646
Energy: 0.532165157510482
Energy: 0.9457274734531171
Energy: 0.5766248403779813
Energy: 0.8130393585023286
Energy: 0.5766248403779813
Energy: 0.8949765338827524
Energy: 0.5733872870474243
Energy: 0.9322310440786394
Energy: 0.5733872870456911
Energy: 0.8937642008836006
Energy: 0.527985043616991
Energy: 1.006158734637882
Energy: 0.527985043618724
Energy: 0.7873649405848853
Energy: 0.5277336638658557
Energy: 1.0012250872046533
Energy: 0.5277336638623893
Energy: 0.7259105913052795
Energy: 0.5301435597081182
Energy: 1.0067221574047693
Energy: 0.5301435597104291
Energy: 0.7787173007701311
Energy: 0.5264036650094626
Energy: 1.0360945521235498
Energy: 0.5264036650094626
Energy: 0.6283834042084
Energy: 0.5318280747594043
Energy: 0.9723077521724561
Energy: 0.5318280747599821
Energy: 0.6091338397801138
Energy: 0.5257875803819542
Energy: 1.000649886052867
Energy: 0.5257875803819542
Energy: 0.6229201972193212
Energy: 0.5299674717020202
Energy: 1.033189976738312
Energy: 0.529967471702598
Energy: 0.5623560528935804
Energy: 0.5313637630675955
Energy: 1.0333828006606625
Energy: 0.5313637630675955
Energy: 0.5624399448195762
Energy: 0.5627093855314373
Energy: 1.005551432935555
Energy: 0.5627093855314373
Energy: 0.5793530373106635
Energy: 0.5273769738666245
Energy: 1.001101818181801
Energy: 0.5273769738666245
Energy: 0.6570317851003348
Energy: 0.5263921826279385
Energy: 0.9949347782940303
Energy: 0.5263921826279385
Energy: 0.6409102648344733
Energy: 0.5252423864441291
Energy: 1.0082916935036559
Energy: 0.5252423864441291
Energy: 0.6458865532661768
Energy: 0.5304081346977411
Energy: 1.0375747529882413
Energy: 0.5304081346977411
Energy: 0.7849233390729484
Energy: 0.5269197978156833
Energy: 1.0278637403119244
Energy: 0.5269197978156833
Energy: 0.7776852409149847
Energy: 0.5256468177467165
Energy: 0.9976491562095215
Energy: 0.5256468177467165
Energy: 0.7843409814899786
Energy: 0.5303253935735753
Energy: 0.9046547125689641
Energy: 0.5303253935735753
Energy: 0.931010583693356
Energy: 0.6901473694696992
Energy: 0.9961718524158719
Energy: 0.6901473694523673
Energy: 0.8145476628333649
Energy: 0.5736991523932521
Energy: 0.9295229625785625
Energy: 0.5736991523920967
Energy: 0.9417490506635446
Energy: 0.5764231033575826
Energy: 0.9037106053655013
Energy: 0.5764231033587381
Energy: 0.9686944254889965
Energy: 0.5789984634262085
Energy: 0.9331687924423779
Energy: 0.578998463477627
Energy: 0.9651208417727742
Energy: 0.5262917661039991
Energy: 0.7805686492734285
Energy: 0.526291766104577
Energy: 1.008258359908462
Energy: 0.6047651916378497
Energy: 0.7259911340199544
Energy: 0.6047651916378497
Energy: 0.9708205288640215
Energy: 0.5322663606657245
Energy: 0.7888570919629766
Energy: 0.5322663606657245
Energy: 0.9718010670085735
Energy: 0.5278818512201847
Energy: 0.6131868190888549
Energy: 0.5278818512201847
Energy: 1.0114841277431488
Energy: 0.5657462261381776
Energy: 0.6110904772040029
Energy: 0.5657462261381776
Energy: 1.0284374586560618
Energy: 0.6164620197281532
Energy: 0.5585837251328372
Energy: 0.6164620197281532
Energy: 1.0080477681182893
Energy: 0.5303444826404674
Energy: 0.5329029185481616
Energy: 0.5303444826410452
Energy: 0.9693560645435876
Energy: 0.5285710665304929
Energy: 0.5334051624343659
Energy: 0.5285710665304929

minimum gb energy = 0.5252423864441291 eV
minimum distance =  2.50142474623968 Angstroms
sigma value = 85


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

Energy: 1.0960457856926398
Energy: 0.4758123591257877
Energy: 0.4771929091070026
Energy: 0.5042200373469234
Energy: 1.0190272229467088
Energy: 0.476591490221042
Energy: 0.5432563331927892
Energy: 0.476591490221042
Energy: 1.0169469283911976
Energy: 0.47640204036853684
Energy: 0.5432724136143892
Energy: 0.47640204036853684
Energy: 0.895385685880339
Energy: 0.4752995483175041
Energy: 0.693679549347256
Energy: 0.4752995483175041
Energy: 1.0217237962617327
Energy: 0.47492984140264005
Energy: 0.6928571594297348
Energy: 0.47492984140264005
Energy: 0.8972055000065707
Energy: 0.47577359946269365
Energy: 0.6997183834308194
Energy: 0.47577359946469794
Energy: 0.8968266384782143
Energy: 0.47591910650274527
Energy: 0.8374555522382313
Energy: 0.47591910650274527
Energy: 0.9607989394092169
Energy: 0.475701705389906
Energy: 0.6864022597359887
Energy: 0.47570170541195317
Energy: 0.9028916772139028
Energy: 0.47642151846723296
Energy: 0.8406840947198472
Energy: 0.47642151845570835
Energy: 0.9013539800119459
Energy: 0.5535902558286588
Energy: 0.962348240768356
Energy: 0.5535902558286588
Energy: 0.8389419784949145
Energy: 0.47557935407167434
Energy: 0.8454380474043
Energy: 0.47557935407167434
Energy: 0.7677681133392066
Energy: 0.47582467797962347
Energy: 0.9635381805378136
Energy: 0.4758246779771181
Energy: 0.8400466786743835
Energy: 0.47553003531644167
Energy: 0.9586414112614561
Energy: 0.47553003531644167
Energy: 0.6938430225799788
Energy: 0.47703046411886413
Energy: 0.833886466647787
Energy: 0.47703046411886413
Energy: 0.6098073912742713
Energy: 0.47481323107380247
Energy: 1.0664009494107056
Energy: 0.47481323107580675
Energy: 0.6951947970306966
Energy: 0.4774852837774408
Energy: 0.9588387810055327
Energy: 0.4774852837774408
Energy: 0.5436042588496492
Energy: 0.47527447027723524
Energy: 0.9559889980700961
Energy: 0.47527447027723524
Energy: 0.5435975597960182
Energy: 0.47509088671430116
Energy: 1.021530760348155
Energy: 0.4750908867117958
Energy: 0.5437276491366271
Energy: 0.4755181919276717
Energy: 1.0190726782782473
Energy: 0.4755181919276717
Energy: 0.4753895748169117
Energy: 0.47537223712494403
Energy: 1.0208083259848983
Energy: 0.47537223712494403
Energy: 0.4764576778399128
Energy: 0.47535141420514887
Energy: 1.0292392914531656
Energy: 0.47535141420514887
Energy: 0.47547927553668806
Energy: 0.47573591782244257
Energy: 1.0134002368240242
Energy: 0.47573591782244257
Energy: 0.5437767799275756
Energy: 0.47904882091422546
Energy: 1.01582337346453
Energy: 0.4790488209147266
Energy: 0.5457758059126451
Energy: 0.4750823738774895
Energy: 1.0715712786378204
Energy: 0.4750823738774895
Energy: 0.5451040473739336
Energy: 0.4795184744607002
Energy: 0.8951340258993459
Energy: 0.47951847446019913
Energy: 0.6978042915194443
Energy: 0.4755925951851153
Energy: 1.0740183890865298
Energy: 0.4755925951851153
Energy: 0.6948668605984916
Energy: 0.4752593772806006
Energy: 1.0214925515201296
Energy: 0.47525937728009954
Energy: 0.7985606755819696
Energy: 0.4772084039019983
Energy: 0.8978256944872138
Energy: 0.4772084039019983
Energy: 0.8378941535652041
Energy: 0.47616686910650335
Energy: 1.030073524715408
Energy: 0.47616686910700445
Energy: 0.8373101326397459
Energy: 0.47628391420402855
Energy: 0.9000355105918112
Energy: 0.47628391420402855
Energy: 0.9620218736073256
Energy: 0.5550230224379326
Energy: 0.7631935866719977
Energy: 0.5550230224379326
Energy: 0.8348904138054323
Energy: 0.5531500512194387
Energy: 0.9122255450782217
Energy: 0.553150051220942
Energy: 0.9625047348576811
Energy: 0.47555471554160944
Energy: 0.7704603541707913
Energy: 0.47555471554160944
Energy: 1.0305450421619091
Energy: 0.47560371259961454
Energy: 0.7695450870974812
Energy: 0.47560371260011564
Energy: 0.8424775422337489
Energy: 0.4781639675873401
Energy: 0.7035833055249564
Energy: 0.47816396759786256
Energy: 1.0680642182897697
Energy: 0.47502130428269257
Energy: 0.6946313197631722
Energy: 0.47502130428269257
Energy: 1.0243987866738955
Energy: 0.4757063072599947
Energy: 0.6991400427423914
Energy: 0.4757063072594936
Energy: 0.9565623476558753
Energy: 0.47556163602017154
Energy: 0.5455282062462701
Energy: 0.47556163602017154
Energy: 1.0730547963877084
Energy: 0.4750268317976417
Energy: 0.5448111204438831
Energy: 0.4750268317976417
Energy: 1.021513048029901
Energy: 0.47552108058587905
Energy: 0.5434139446235513
Energy: 0.47552108058587905
Energy: 0.9542605477396584
Energy: 0.4771638954267517
Energy: 0.4780310693540766
Energy: 0.4771638954267517
Energy: 1.017626679916851
Energy: 0.47524153517253226
Energy: 0.475818743721476
Energy: 0.47524153517253226
Energy: 1.0131343681482474
Energy: 0.4754879942641284
Energy: 0.47540394261762037
Energy: 0.4754879942641284

minimum gb energy = 0.47481323107380247 eV
minimum distance =  2.5117504009748 Angstroms
sigma value = 113


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

Energy: 0.014781134536966988
Energy: 0.3937693077412911
Energy: 0.8183167175389142
Energy: 0.3937693077412911
Energy: 0.5314622100209901
Energy: 0.11006027399693243
Energy: 0.5322052057267005
Energy: 0.11006027399693243
Energy: 0.015354346367753463
Energy: 0.10900278345321282
Energy: 0.53100397627411
Energy: 0.10900278345321282
Energy: 0.0165871302500747
Energy: 0.10854255440325102
Energy: 0.5310870881457331
Energy: 0.10854255440286584
Energy: 0.5333318286157587
Energy: 0.11134785253542387
Energy: 0.5350290930090463
Energy: 0.11134785253542387
Energy: 0.015310574960057622
Energy: 0.1086092842470227
Energy: 0.5309325328883198
Energy: 0.1086092842470227

minimum gb energy = 0.014781134536966988 eV
minimum distance =  2.71058729990484 Angstroms
sigma value = 1