Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614960119128228
cohesive_energy=3.540273420316517
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4503143217463098e-19, 2.16689583218598e-19, 2.71519271987346e-19, 3.1480047157822197e-19, 3.5145987514077595e-19, 3.8389113456620394e-19, 4.1236982423555394e-19, 4.36995279100134e-19, 4.58172849848346e-19, 4.76381587293756e-19, 4.920412617144719e-19, 5.05497943263438e-19, 5.1704002373477395e-19, 5.26912636153482e-19, 5.35336880895054e-19, 5.42503416978936e-19, 5.485740642451619e-19, 5.536769968244519e-19, 5.579019366083099e-19, 5.61301755425658e-19, 5.639036902792739e-19, 5.65733375995302e-19, 5.66814845223252e-19, 5.671689262593659e-19, 5.667908125737419e-19, 5.65577964861804e-19, 5.63434252525512e-19, 5.60266749320094e-19, 5.557069546197299e-19, 5.4941040044811e-19, 5.410550493017999e-19, 5.30285217968052e-19, 5.16698760111732e-19, 4.998310445089799e-19, 4.7913893328087e-19, 4.53949512241122e-19, 4.23389595124206e-19, 3.8624953857145196e-19, 3.40835841880722e-19, 2.84831757639252e-19, 2.1520917200878197e-19, 1.2810571777772818e-19, 1.8460279176947998e-20, -1.210229755318044e-19, -3.02069576044458e-19, -5.43416657660316e-19, -8.71540830126882e-19, -1.3221818476187938e-18, -1.9495926153165598e-18, -2.8463148556000197e-18, -4.2011795043757795e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015448912886658445
Energy: 0.443622979599709
Energy: 0.10343531292267548
Energy: 0.10312374997934255
Energy: 0.019288371151743047
Energy: 0.01690108620724625
Energy: 0.10169362582501812
Energy: 0.10353954852430015
Energy: 0.10269397980840374
Energy: 0.01863669811538511
Energy: 0.016062268830858206
Energy: 0.10117859538584836
Energy: 0.10237118352554683
Energy: 0.10322233206263234
Energy: 0.1031704003664776
Energy: 0.10193153170100384
Energy: 0.10142152275454572
Energy: 0.1020138538429191
Energy: 0.1031929214055494
Energy: 0.10267369032470645
Energy: 0.10338919384002605
Energy: 0.019310647860998925
Energy: 0.015789616534818616
Energy: 0.10150027111778705
Energy: 0.10363002757345563
Energy: 0.10352417353553231
Energy: 0.018636491241713484
Energy: 0.01586936432003145
Energy: 0.1014046904431528
Energy: 0.10318385470349434
Energy: 0.10263897501772311
Energy: 0.017046726304422707
Energy: 0.016805095624367054
Energy: 0.10108313504688646
Energy: 0.10205653785449356
Energy: 0.10302516577061234
Energy: 0.017644339331743836
Energy: 0.016137486418543977
Energy: 0.10102771617510649
Energy: 0.10199763047485659
Energy: 0.1022563067177436
Energy: 0.10267427948591776
Energy: 0.1037485073122233
Energy: 0.01725802470751644
Energy: 0.01610942762081313
Energy: 0.10201025567288208
Energy: 0.10323166214409374
Energy: 0.10321740039360547
Energy: 0.018312397708095923
Energy: 0.10120864243645865
Energy: 0.10391472970802168
Energy: 0.10250678525229336
Energy: 0.10203292000566815
Energy: 0.016535942930132587
Energy: 0.01605253366131369
Energy: 0.10119864557951543
Energy: 0.10158226260569599
Energy: 0.10260388295430603
Energy: 0.017187265632965774
Energy: 0.016132630484023767
Energy: 0.016091197983383782
Energy: 0.10409196913878821
Energy: 0.10270642742234183
Energy: 0.10331576394288565
Energy: 0.10385492511576978
Energy: 0.020733530942539224
Energy: 0.10428188885149235
Energy: 0.10235612535293451
Energy: 0.10388872011053173
Energy: 0.10345427679656308

minimum gb energy = 0.015448912886658445 eV
minimum distance =  2.52304732692108 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 1.1454296113744902
Energy: 0.7157548937679996
Energy: 0.694744033354514
Energy: 0.6738756937743757
Energy: 0.6980941202150406
Energy: 0.6982614946459147
Energy: 0.6720640077412581
Energy: 0.6963326170814079
Energy: 0.6952074852666589
Energy: 0.715557711855058
Energy: 0.5942963736003188
Energy: 0.8025488334266506
Energy: 0.6977552666448217
Energy: 0.7883436412229073
Energy: 0.6702793136847821
Energy: 0.6203889613716203
Energy: 0.7494253645303462
Energy: 0.6953785892728733
Energy: 0.6204832144517131
Energy: 0.7234784176403404
Energy: 0.6268576734751183
Energy: 0.7470776462860634
Energy: 0.6311857112638528
Energy: 0.6207772769352731
Energy: 0.6235923549393472
Energy: 0.6219490354773648
Energy: 0.7519382682264071
Energy: 0.6328484606406419
Energy: 0.6208869156650298
Energy: 0.6246386873922951
Energy: 0.7041459000657626
Energy: 0.7806850200699134
Energy: 0.6321647127824775
Energy: 0.6213174258205719
Energy: 0.6399596057044856
Energy: 0.6221549149241324
Energy: 0.6976246801514115
Energy: 0.6325844206001129
Energy: 0.66357079493023
Energy: 0.6247937129746535
Energy: 0.7650431690169831
Energy: 0.7218507493128062
Energy: 0.7485621472738513
Energy: 0.6394760980228051
Energy: 0.6442659258136944
Energy: 0.8263445060689959
Energy: 0.803832067324567
Energy: 0.6945551072957521
Energy: 0.6390456069744179
Energy: 0.6427945848343413
Energy: 0.7166109814151297
Energy: 0.7186462679474326
Energy: 0.6949639589220455
Energy: 0.6396471899501782
Energy: 0.8240495096533138
Energy: 0.7167989388196477
Energy: 0.7197926009402116
Energy: 0.7669395163039855
Energy: 0.6380946641016855
Energy: 0.7535795697211357
Energy: 0.735135087814269
Energy: 0.7256292495301869
Energy: 0.7958999354145652
Energy: 0.6366145256331825
Energy: 0.7352381087021157
Energy: 0.7359429198459565
Energy: 0.7737166049552879
Energy: 0.5688349688107064
Energy: 0.6369879692409081
Energy: 0.7345936894715523
Energy: 0.9187987775767188
Energy: 0.7357738731634522
Energy: 0.7452971301975594
Energy: 0.6328223401202059
Energy: 0.7342473627571172
Energy: 0.7318520429242813
Energy: 0.7359753951901977
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Energy: 0.8178577539754746
Energy: 0.7334479110195967
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Energy: 0.7027836405411693
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Energy: 0.8197659247347955
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Energy: 0.7211499643519945
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Energy: 0.7562642763486246
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Energy: 0.7437191824149532
Energy: 0.6814184933293809
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Energy: 0.7557579861452421
Energy: 0.7914212627633732
Energy: 0.8421094068689107
Energy: 0.5901995348354206
Energy: 0.6182667675174733
Energy: 0.7575535021656096
Energy: 0.7181878438367032
Energy: 0.830643446638716
Energy: 1.0256803822697074
Energy: 0.7533655642504955
Energy: 0.7575821673967122
Energy: 0.7549847249312434
Energy: 0.7164019848333678
Energy: 0.7126565813687542
Energy: 0.7533463279284448
Energy: 0.75706440351047
Energy: 0.7538515146062762
Energy: 0.7163593859779074
Energy: 0.542593320653382
Energy: 0.8715386629485355
Energy: 0.7519325106002037
Energy: 0.8429354520757517
Energy: 0.6145420085108391
Energy: 0.5423226576552633
Energy: 0.7834965429472948
Energy: 0.7518951684302916
Energy: 0.8440440490122246
Energy: 0.6139704739541756
Energy: 0.6111164131814313
Energy: 0.8464635532346287
Energy: 0.6315050528469301
Energy: 0.6588569675180563
Energy: 0.6119036420034355
Energy: 0.6156279237848786
Energy: 0.6329849365804514
Energy: 0.6307083266125604
Energy: 0.6579001602403372
Energy: 0.6119930641300609
Energy: 0.6572345829707208
Energy: 0.6298910421533567
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Energy: 0.656683455434582
Energy: 0.6030223083709965
Energy: 0.6583163707073882
Energy: 0.630113430858672
Energy: 0.6321366614383803
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Energy: 0.6411190122959624
Energy: 0.8562314674047982
Energy: 0.7809190939067302
Energy: 0.7656425737669909
Energy: 0.6391606481559429
Energy: 0.6433669069889395
Energy: 0.8912874949894514
Energy: 0.7195752860214171
Energy: 0.767695787407973
Energy: 0.6397210502018906
Energy: 0.5685923984779865
Energy: 0.7598603577259172
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Energy: 0.6392445440140653
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Energy: 0.7185211584258315
Energy: 0.7477532894852152
Energy: 0.7640389419507252
Energy: 0.6939333435202428
Energy: 0.7711000150365876
Energy: 0.7352537332447777
Energy: 0.7500713251553882
Energy: 0.6883010246032508
Energy: 0.636629182135261
Energy: 0.7795608159013743
Energy: 0.730231555189727
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Energy: 0.646004600166523
Energy: 0.6399829164523118
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Energy: 0.9154573001612784
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Energy: 0.8379094033111415
Energy: 0.6321999572734482
Energy: 0.7350369233930709
Energy: 0.7356344300861098
Energy: 0.7343529937003205
Energy: 0.6321904217403799
Energy: 0.8797261972491798
Energy: 0.7340069010169215
Energy: 0.8206213038618678
Energy: 0.6567559875307067
Energy: 0.5788466324795742
Energy: 0.6161008387515714
Energy: 0.7346218170737933
Energy: 0.8201393778196808
Energy: 0.6574624646364197
Energy: 0.5840222122440032
Energy: 0.702747651768862
Energy: 0.7341520314059805
Energy: 0.6224880126102421
Energy: 0.6498716993335723
Energy: 0.6390972446302924
Energy: 0.6780664644657255
Energy: 0.6329823398037023
Energy: 0.6056430659592912
Energy: 0.6606290944393014
Energy: 0.6401862233500573
Energy: 0.6037759383683119
Energy: 0.6341279337850118
Energy: 0.6229478827583923
Energy: 0.6412282699827951
Energy: 0.6570333671924107
Energy: 0.6052033291296823
Energy: 0.6819507636847675
Energy: 0.6028075684503279
Energy: 0.6424746108895624
Energy: 0.6489340957076511
Energy: 0.6352007411964645
Energy: 0.63461281743388
Energy: 0.797809468807294
Energy: 0.566504307390465
Energy: 0.6349443464447413
Energy: 0.7491627801744867
Energy: 0.689744608198998
Energy: 0.6245659342340789
Energy: 0.5681812854668892
Energy: 0.6418733657204081
Energy: 0.8524166296495987
Energy: 0.6924532385546054
Energy: 0.8733783355727027
Energy: 0.6937493778078005
Energy: 0.7131254691499732
Energy: 0.7225466880103877
Energy: 0.7604518618298506
Energy: 0.7968945325016589
Energy: 0.6229895078191436
Energy: 0.7131653665548351
Energy: 0.7486013130439114
Energy: 0.75926212285323
Energy: 0.6933940430900344
Energy: 0.7176356505952597
Energy: 0.6966288684206496
Energy: 0.6965593361801439
Energy: 0.763607748877922
Energy: 0.6200351500155983
Energy: 0.6691248867012892
Energy: 0.6970987813114224
Energy: 0.7006922757660643
Energy: 0.6991969421019866
Energy: 0.7322238981033035
Energy: 0.6934822008419333
Energy: 0.6953720809652941
Energy: 0.673936179775545
Energy: 0.6979940001385155
Energy: 0.695498828631206
Energy: 0.672392651367988
Energy: 0.6950301678611432
Energy: 0.6953549754807516
Energy: 0.7155787320578963

minimum gb energy = 0.5423226576552633 eV
minimum distance =  2.2495514468007 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 1.681006044474611
Energy: 0.7933943224414405
Energy: 0.7161488204443464
Energy: 0.7366771211342271
Energy: 0.7841799631878452
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Energy: 0.7174683061767662
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Energy: 0.7933113899985487
Energy: 0.7115356649890124
Energy: 0.6856381905863653
Energy: 0.7306007966437843
Energy: 0.7338131963137994
Energy: 0.6988549709700341
Energy: 0.7401688548342847
Energy: 0.7364135817783161
Energy: 0.7159972195559445
Energy: 0.7368770988257508
Energy: 0.7227597431802922
Energy: 0.7803757738905394
Energy: 0.8346745837518412
Energy: 0.8312231943578215
Energy: 0.7677718408073924
Energy: 0.7290638688114116
Energy: 0.7376384455674215
Energy: 0.834592296780645
Energy: 0.8313376327199199
Energy: 0.7847242075215246
Energy: 0.7113052711414785
Energy: 0.7272322055213221
Energy: 0.7355658514109801
Energy: 0.7115397402190506
Energy: 0.7376988551942576
Energy: 0.7235078790561279
Energy: 0.758051546389034
Energy: 0.6944568404565736
Energy: 0.7285900410126545
Energy: 0.7818168842931628
Energy: 0.7321933796639746
Energy: 0.7288857415411306
Energy: 0.6916428953193859
Energy: 0.8458609826849949
Energy: 0.7718572295066619
Energy: 0.7059616324447685
Energy: 0.7420630989195777
Energy: 0.7240496275867903
Energy: 0.8501137087110315
Energy: 0.7554977669686826
Energy: 0.7436063203368222
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Energy: 0.7317109047021638
Energy: 0.8251459658006245
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Energy: 0.7219397019839995
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Energy: 0.8381069524591707
Energy: 0.7515927089595404
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Energy: 0.7288612163267841
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Energy: 0.7270407842238572
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Energy: 0.7706706866392201
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Energy: 0.7449526544035111
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Energy: 0.7192467860110507
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Energy: 0.8177734487128515
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Energy: 0.7398696025813305
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Energy: 0.7520384127046617
Energy: 0.7286766190434893
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Energy: 0.7595973016603103
Energy: 0.7211728671652454
Energy: 0.750018436076233
Energy: 0.6974622348647238
Energy: 0.7569117883244194
Energy: 0.8578724645564684
Energy: 0.8359379456847965
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Energy: 0.7022604701144969
Energy: 0.8579683645442349
Energy: 0.859178412420407
Energy: 0.8205943667437556
Energy: 0.7145330737831515
Energy: 0.7316400674361153
Energy: 0.8566474140817975
Energy: 0.7516163962949017
Energy: 0.7716126722276707
Energy: 0.7023091158543837
Energy: 0.7044538262594332
Energy: 0.7578059668754785
Energy: 0.9220583724967915
Energy: 0.7433365353037956
Energy: 0.7017614551988524
Energy: 0.7029784309567944
Energy: 0.7521436765858417
Energy: 0.756437880593234
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Energy: 0.737046484510852
Energy: 0.7871933948405073
Energy: 0.7152727133330563
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Energy: 0.7341310725098239
Energy: 0.7455489943352602
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Energy: 0.714905031176334
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Energy: 0.7487106062675695
Energy: 0.8056645545243203
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Energy: 0.7483424521840804
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Energy: 0.7251960940559089
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Energy: 0.7234090439512203
Energy: 0.7701243364230237
Energy: 0.6938701859227
Energy: 0.7694586609590826
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minimum gb energy = 0.6723762182170463 eV
minimum distance =  2.3261218586871 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7622668355709066
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Energy: 0.8040624385233627
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Energy: 0.81198207052584
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Energy: 0.7666541386808486
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Energy: 0.7955813100491442
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Energy: 0.8969753717872497
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Energy: 0.7355061404572225
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Energy: 0.7727698022243307
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Energy: 0.8112013097781042
Energy: 0.8140729386185895
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Energy: 0.7782900166025084
Energy: 0.7891449422385165
Energy: 0.7605035262798205
Energy: 0.7586316862656421
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Energy: 0.7186853038241505
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Energy: 0.784074393259067
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Energy: 0.7764853033933028
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Energy: 0.8618215890531233
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Energy: 0.8323915056810561
Energy: 0.7748966778891517
Energy: 0.8824485697981832
Energy: 0.7661031664444621
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Energy: 0.8320460848658808
Energy: 0.8027121381658187
Energy: 0.7371485808575557
Energy: 0.8128489956002398
Energy: 0.870873119086052
Energy: 0.7915264258834597
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Energy: 0.7107665972691227
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Energy: 0.8643341048077992
Energy: 0.7316550539172054
Energy: 0.8614638700397395
Energy: 0.7746488270485572
Energy: 0.811256499355207
Energy: 0.8053031267167908
Energy: 0.706698358671784
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Energy: 0.7173672927202799
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Energy: 0.8072666478120522
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Energy: 0.8025462806506625
Energy: 0.7252392007532724
Energy: 0.7964001846914939
Energy: 0.8043336364926184
Energy: 0.7332250449862353
Energy: 0.8186826880768725
Energy: 0.8212416842406216
Energy: 0.7916853110927404
Energy: 0.8072073371868915
Energy: 0.7523108715014725
Energy: 0.8131906293404259
Energy: 0.8009487340768153
Energy: 0.8386933451483529
Energy: 0.7431735138029237
Energy: 0.8040129243629848
Energy: 0.8106906479214895
Energy: 0.8484295854400268
Energy: 0.8305048944891398
Energy: 0.7085006621558654
Energy: 0.804214658114657
Energy: 0.7745623412125213
Energy: 0.8094215225561916
Energy: 0.8045648892987238
Energy: 0.8181279033860372
Energy: 0.7876856843059047
Energy: 0.838209759700996
Energy: 0.8150699438864758
Energy: 0.7533123571575056
Energy: 0.7540998296464553
Energy: 0.7738791812250766
Energy: 0.7204138465026054
Energy: 0.7994818288795046
Energy: 0.7645886218663316
Energy: 0.8384499199980341
Energy: 0.8300092373359425
Energy: 0.7204887638341256
Energy: 0.7880658961141682
Energy: 0.7036571408709754
Energy: 0.8297653741951734
Energy: 0.8061923506197377
Energy: 0.7585317132767498
Energy: 0.8737437350039515
Energy: 0.752075581245158
Energy: 0.8517956756561543
Energy: 0.8434760729614165
Energy: 0.7338705952994877
Energy: 0.8024642440815931
Energy: 0.743115757678194
Energy: 0.7801000615881996
Energy: 0.8755176570334142
Energy: 0.7754635995328152
Energy: 0.8178398383674507
Energy: 0.8197166212824764
Energy: 0.7878777984954612
Energy: 0.802240725267586
Energy: 0.821844490499996
Energy: 0.8621522386870519
Energy: 0.8181810501377628
Energy: 0.8340064023677703
Energy: 0.8023957126230762
Energy: 0.8194816832408679
Energy: 0.8384903027948303
Energy: 0.8892712204156071
Energy: 0.7325473747018592
Energy: 0.7360258550982199
Energy: 0.7865945367058764
Energy: 0.6985131390413151
Energy: 0.7961747539246842
Energy: 0.7078364314032348
Energy: 0.7094507617558471
Energy: 0.8171898239998769
Energy: 0.7558544103532346
Energy: 0.7088834869852312
Energy: 0.7367948232355287
Energy: 0.7070976380976562
Energy: 0.7064994608519306
Energy: 0.7000763225246519
Energy: 0.7070308125389171
Energy: 0.7323290947543857
Energy: 0.7069176655334055
Energy: 0.8016473840487657

minimum gb energy = 0.6985131390413151 eV
minimum distance =  2.28598644739179 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.0005984437397886
Energy: 0.8171152520906714
Energy: 0.6916245778725806
Energy: 0.768330845866368
Energy: 0.8148661726269106
Energy: 0.8078174815562316
Energy: 0.6940443735611634
Energy: 0.6917076981252028
Energy: 0.769415681245955
Energy: 0.8150441234492403
Energy: 0.7579860376452268
Energy: 0.7605872348040359
Energy: 0.6927900740235552
Energy: 0.7608425691065102
Energy: 0.8345954696669141
Energy: 0.7603197622297054
Energy: 0.7598483176933976
Energy: 0.7641610462890012
Energy: 0.7622508693982052
Energy: 0.8371427056233788
Energy: 0.764559638283694
Energy: 0.8259761768117119
Energy: 0.7665902255925174
Energy: 0.7687033150180658
Energy: 0.8299978071757428
Energy: 0.7650185844751953
Energy: 0.8252207925316041
Energy: 0.7721124625354777
Energy: 0.7684225430852888
Energy: 0.767970428909984
Energy: 0.8161256981353044
Energy: 0.7648065360615515
Energy: 0.7628971853548885
Energy: 0.6931721483893825
Energy: 0.6825576688821168
Energy: 0.8370239338912893
Energy: 0.7672352177868758
Energy: 0.761132177139
Energy: 0.6926652794579985
Energy: 0.8310255427721348
Energy: 0.7611192509009245
Energy: 0.756464246431616
Energy: 0.7605634737794756
Energy: 0.7605456843002669
Energy: 0.7634906199492448
Energy: 0.7657801449247573
Energy: 0.6874642799376814
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Energy: 0.7606063804619595
Energy: 0.7637207996377763
Energy: 0.8296177861126381
Energy: 0.7568536784396054
Energy: 0.7622466041224422
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Energy: 0.7622963156236949
Energy: 0.684309428249841
Energy: 0.6952954040378158
Energy: 0.8369946234791265
Energy: 0.7586312151379091
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Energy: 0.6912272413605182
Energy: 0.7696300561983853
Energy: 0.8352531290808156
Energy: 0.7593799160667625
Energy: 0.7623016637589514
Energy: 0.691693603885233
Energy: 0.7700403604966753
Energy: 0.6809380459375985
Energy: 0.7603322132145864
Energy: 0.7631530737328995
Energy: 0.7593425066790748
Energy: 0.7604363862264113
Energy: 0.7517618329715982
Energy: 0.7604624658617778
Energy: 0.7621689662203509
Energy: 0.760300177228976
Energy: 0.6831491496580845
Energy: 0.6864283668039981
Energy: 0.834294970521291
Energy: 0.6914649922559405
Energy: 0.759100188813008
Energy: 0.83032745359048
Energy: 0.687107043112885
Energy: 0.7652681538368493
Energy: 0.6918582434895695
Energy: 0.759097554910705
Energy: 0.8223129511931296
Energy: 0.8305661244708303
Energy: 0.7695827328358532
Energy: 0.7687204328603924
Energy: 0.764633579255041
Energy: 0.7598136285263032
Energy: 0.8271937497370452
Energy: 0.7688175205272625
Energy: 0.7700331195604033
Energy: 0.7654366502640965
Energy: 0.7593673330872018
Energy: 0.8317774648575691
Energy: 0.7691420347341714
Energy: 0.7710916271739319
Energy: 0.8249282300909149
Energy: 0.8124961030046473
Energy: 0.768899925130744
Energy: 0.7685249849787138
Energy: 0.7692364183788947
Energy: 0.8240864789000004
Energy: 1.0036101465017926
Energy: 0.7702382104848585
Energy: 0.7614938324528475
Energy: 0.7677160538803014
Energy: 0.766614049335476
Energy: 0.6841075850416886
Energy: 0.7693973618149599
Energy: 0.7612376696158595
Energy: 0.7670386408188726
Energy: 0.763755438865865
Energy: 0.7680650654697444
Energy: 0.81678093634839
Energy: 0.7609674746470296
Energy: 0.6949865858145562
Energy: 0.7610880840181522
Energy: 0.6918023034672753
Energy: 0.8160015847441434
Energy: 0.7617275554444447
Energy: 0.7630177578991519
Energy: 0.7600345286414627
Energy: 0.6921563963323001
Energy: 0.8303095682457033
Energy: 0.7620859980781867
Energy: 0.694866527661734
Energy: 0.6856131514391488
Energy: 0.7625687503206434
Energy: 0.8306258507600841
Energy: 0.7636926217577882
Energy: 0.6940510697150488
Energy: 0.6832483349179398
Energy: 0.7613675623974477
Energy: 0.7555381431112115
Energy: 0.7659242867671294
Energy: 0.7687272192025724
Energy: 0.6937403408348577
Energy: 0.7602202246202094
Energy: 0.751982703037599
Energy: 0.7632852038067561
Energy: 0.7686601677790383
Energy: 0.6938317948171427
Energy: 0.7598078004318287

minimum gb energy = 0.6809380459375985 eV
minimum distance =  2.31207276912472 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.6426798558487657
Energy: 0.6586531705758626
Energy: 0.645801915051049
Energy: 0.6539116634397792
Energy: 0.6216953943711621
Energy: 0.6455560462964084
Energy: 0.6205734446011424
Energy: 0.6507858597059407
Energy: 0.6667577196382212
Energy: 0.6904313453024706
Energy: 0.6728040601281725
Energy: 0.7378923554982108
Energy: 0.652957911792242
Energy: 0.6531212698733843
Energy: 0.6470053843824504
Energy: 0.7156662237342671
Energy: 0.6159421071099215
Energy: 0.6682793748062088
Energy: 0.6676071440065624
Energy: 0.7647990506579436
Energy: 0.6657415189557863
Energy: 0.7375009401413282
Energy: 0.74384517262963
Energy: 0.664073577937516
Energy: 0.7048036523044962
Energy: 0.7130504499471816
Energy: 0.6764214793657133
Energy: 0.6873426730622213
Energy: 0.7562668775068047
Energy: 0.7092214001445627
Energy: 0.7317675038950578
Energy: 0.653906409695092
Energy: 0.7353992018014666
Energy: 0.7137007160144202
Energy: 0.8405766692725871
Energy: 0.7303356833310148
Energy: 0.7032748398840272
Energy: 0.6700523558244803
Energy: 0.7007588778285202
Energy: 0.7905562343519172
Energy: 0.7549875365986133
Energy: 0.6993094637469307
Energy: 0.7322655078071257
Energy: 0.7125124242385987
Energy: 0.7182769062284675
Energy: 0.7076079173696227
Energy: 0.6652247645899328
Energy: 0.6684450323284321
Energy: 0.7392063029704944
Energy: 0.6791768158867427
Energy: 0.7541017027907054
Energy: 0.6322972418407654
Energy: 0.7620128975799078
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Energy: 0.7538980474840822
Energy: 0.6579947750197197
Energy: 0.7036838725349187
Energy: 0.6684727544505986
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Energy: 0.7429320357852086
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Energy: 0.6720444158338209
Energy: 0.6719512823581308
Energy: 0.7387245158616514
Energy: 0.6680102210902581
Energy: 0.7186915911226852
Energy: 0.7200120805045149
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Energy: 0.6819810734611076
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Energy: 0.7007397336057466
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Energy: 0.6389480080148326
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Energy: 0.6474308095559754
Energy: 0.6172078639041769
Energy: 0.6946899932160584
Energy: 0.6152288076338331
Energy: 0.7239430199449794
Energy: 0.6540398836997529
Energy: 0.642913374204859
Energy: 0.615224823896015
Energy: 0.7168786416959667
Energy: 0.726912721522953
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Energy: 0.6547199998214162
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Energy: 0.7246168390012333
Energy: 0.7238799134536459
Energy: 0.674599906417406
Energy: 0.6688766531578649
Energy: 0.6170624604667938
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Energy: 0.6473702030941517
Energy: 0.6263602109876057
Energy: 0.664886629864854
Energy: 0.6479873243496492
Energy: 0.6995465086538242
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Energy: 0.6528806906941912
Energy: 0.6189258400134559
Energy: 0.6521002915778459
Energy: 0.7180307114283357
Energy: 0.6211659784611758
Energy: 0.6663129710775928
Energy: 0.6626179786298062
Energy: 0.750240411068679
Energy: 0.7270946154752671
Energy: 0.6192758268289053
Energy: 0.6533174038000242
Energy: 0.6469035805652918
Energy: 0.7041822238464301
Energy: 0.6698127102028404
Energy: 0.6135936240643082
Energy: 0.6888378140163064
Energy: 0.7051328071255385
Energy: 0.7175084764304612
Energy: 0.6675649749688015
Energy: 0.6910250684986966
Energy: 0.7011142639151311
Energy: 0.7063145153634851
Energy: 0.7176524428027747
Energy: 0.6841192513439223
Energy: 0.6677706373193028
Energy: 0.6668052586560121
Energy: 0.7037471399287885
Energy: 0.7077790678169278
Energy: 0.6921565351079211
Energy: 0.7295541589491622
Energy: 0.7179304326143584
Energy: 0.6996041148835802
Energy: 0.7056747349581084
Energy: 0.6792930244955152
Energy: 0.7370568518385124
Energy: 0.740959000444084
Energy: 0.7509739359327863
Energy: 0.7709202095930787
Energy: 0.6904873081396944
Energy: 0.7313399499341576
Energy: 0.7354919208432663
Energy: 0.6521683170655804
Energy: 0.7047274985903058
Energy: 0.6919882428826464
Energy: 0.7005387765190518
Energy: 0.7315044777377492
Energy: 0.7433767418235413
Energy: 0.7434193486538915
Energy: 0.7740252420259186
Energy: 0.7570062417638009
Energy: 0.7314336102968331
Energy: 0.737518688124169
Energy: 0.7454112727413089
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Energy: 0.6729455175749711
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Energy: 0.7272563585609942
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Energy: 0.7404289995917985
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Energy: 0.7192811122681096
Energy: 0.6809247971335113
Energy: 0.6149552930846126
Energy: 0.6170264974654466
Energy: 0.6770906812806549
Energy: 0.6469567893201312
Energy: 0.7601677427783752
Energy: 0.6657784796322934
Energy: 0.6807395363055577
Energy: 0.6399940264191475
Energy: 0.6367497082865811
Energy: 0.6944140898694676
Energy: 0.677311791634449
Energy: 0.6192766169464421
Energy: 0.6456915057872581
Energy: 0.6360855542456192
Energy: 0.7365608243765241
Energy: 0.6857235723034525
Energy: 0.6848145761834057
Energy: 0.6604960439283315
Energy: 0.745741986491574
Energy: 0.7311037543123572
Energy: 0.6522835769068049
Energy: 0.6467308063925862
Energy: 0.6171377473789439
Energy: 0.7116016870223885
Energy: 0.7248618393656712
Energy: 0.6675623366804886
Energy: 0.6214029431541476
Energy: 0.6196352701704342
Energy: 0.710330553894036
Energy: 0.638776452502022
Energy: 0.6661839937177596
Energy: 0.6914661344979771
Energy: 0.6145308689365705
Energy: 0.7720257208005055
Energy: 0.6469685762548116
Energy: 0.6554491004782662
Energy: 0.6532522630797292
Energy: 0.718403987352143

minimum gb energy = 0.6135936240643082 eV
minimum distance =  2.33886644750947 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.25157997787826236
Energy: 0.35965618517996456
Energy: 0.34596340505319406
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Energy: 0.3616384261851736
Energy: 0.35025534884940507
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Energy: 0.34500527776291895
Energy: 0.40435815086556604
Energy: 0.34513187046578725
Energy: 0.2675278032657279
Energy: 0.25299862141962315
Energy: 0.35304892555548584
Energy: 0.37019610505264133
Energy: 0.3468260867392412
Energy: 0.2527910970631991
Energy: 0.2531309770958025
Energy: 0.36280990707128746
Energy: 0.3617366048918781
Energy: 0.3378890799814224
Energy: 0.35408486413276063
Energy: 0.3638224056984038
Energy: 0.336983748783304
Energy: 0.3498123703862641
Energy: 0.36442808836392176
Energy: 0.35742653959920856
Energy: 0.3415947765338658
Energy: 0.3451614005560062
Energy: 0.343582203650637
Energy: 0.3500796346030703
Energy: 0.3000929685589044
Energy: 0.3464892376664221
Energy: 0.34177171817041346
Energy: 0.3581154941590393
Energy: 0.35791790407661467
Energy: 0.2576393142662619
Energy: 0.3442614888415482
Energy: 0.33497108553023985
Energy: 0.39145283785841795
Energy: 0.29549199547382426

minimum gb energy = 0.2485905443977842 eV
minimum distance =  2.40190013676769 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.6400570054202734
Energy: 0.5960164479234723
Energy: 0.5878019233758303
Energy: 0.6179231225599545
Energy: 0.597819030582918
Energy: 0.5964108274601614
Energy: 0.5951455943153672
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Energy: 0.6200945564188702
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Energy: 0.6221890991957199
Energy: 0.6061404673640826
Energy: 0.608112047017897
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Energy: 0.6161628086771836
Energy: 0.6332892809439609
Energy: 0.6175842398367136
Energy: 0.6084334110662991
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Energy: 0.6194092336598712
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Energy: 0.5800805301238061
Energy: 0.652110168152115
Energy: 0.6201804256471509
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Energy: 0.6111339674092499
Energy: 0.577607325015618
Energy: 0.5810526758389302
Energy: 0.6195150623416872
Energy: 0.6216721104233234
Energy: 0.6053279068029302
Energy: 0.5993163594394721
Energy: 0.6069503569720037
Energy: 0.6181092621019225
Energy: 0.6155483329991417
Energy: 0.6019828517676602
Energy: 0.5933512042070154
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Energy: 0.6124509252207097
Energy: 0.5950117237653042
Energy: 0.6162733364538172
Energy: 0.6277641412730436
Energy: 0.6217741651963719

minimum gb energy = 0.5576012912674047 eV
minimum distance =  2.35049262674957 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 0.7809894279730576
Energy: 0.8549584474492472
Energy: 0.797723202814001
Energy: 0.7620873451657024
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Energy: 0.8485959398286335
Energy: 0.8468736096802326
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Energy: 0.7550138734552237
Energy: 0.7931852396971026
Energy: 0.8165320818999252
Energy: 0.7605190034066098
Energy: 0.7618676147331328
Energy: 0.7924754184704147
Energy: 0.7910084141863505
Energy: 0.7992157256322269
Energy: 0.8127899963783886
Energy: 0.763292285220382
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Energy: 0.8136606079033197
Energy: 0.7962915248309702
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Energy: 0.7326495294502656
Energy: 0.7280012708701049
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Energy: 0.7967376364666601
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Energy: 0.8199482986086547
Energy: 0.8185108661137903
Energy: 0.8061428647916169
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Energy: 0.8170827507678416
Energy: 0.8182809031775528
Energy: 0.8769001376222908
Energy: 0.80590175408646
Energy: 0.8210727163929489
Energy: 0.7277612325915169
Energy: 0.7275909740811981
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Energy: 0.8193694051808467
Energy: 0.7299031002946448
Energy: 0.7274569566585377
Energy: 0.8482439334388963
Energy: 0.7419690949165738
Energy: 0.8170770839902146
Energy: 0.8538397739262259
Energy: 0.7769436954287006
Energy: 0.7622706176481092
Energy: 0.8174812791146826
Energy: 0.8169313809395766
Energy: 0.8178207111377394
Energy: 0.7784938405557977
Energy: 0.7973737010726807
Energy: 0.8165807881322662
Energy: 0.815101880394742
Energy: 0.8329063140750729
Energy: 0.7974452416890218
Energy: 0.7654374805981138
Energy: 0.7657420765416384
Energy: 0.8208111023641239
Energy: 0.8441274836570437
Energy: 0.8011562287619417
Energy: 0.7632103255293999
Energy: 0.7620960434108974
Energy: 0.8194069419762793

minimum gb energy = 0.7213407089441216 eV
minimum distance =  2.35252893910257 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.8938649137437965
Energy: 0.8902735891046644
Energy: 0.9378903299939149
Energy: 0.8842814565256495
Energy: 0.8982394826185217
Energy: 0.9105541455572426
Energy: 0.8957856291552728
Energy: 0.9011409641701539
Energy: 0.8967405747694811
Energy: 0.9033084443822346
Energy: 0.9247012983710706
Energy: 0.8949262769262283
Energy: 0.8833033798760787
Energy: 0.8865365425394978
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Energy: 0.8893466445265574
Energy: 0.8887157640193809
Energy: 0.8870816010468066
Energy: 0.8925728291075272
Energy: 0.8966118105298518
Energy: 0.8878956580564084
Energy: 0.8819805233670714
Energy: 0.9064852925126969
Energy: 0.9226919969543116
Energy: 0.8784928390160106
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minimum gb energy = 0.8527499854821264 eV
minimum distance =  2.30891098234645 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.8944262774029663
Energy: 0.8878875501566984
Energy: 0.9327014092443439
Energy: 0.8780371029871039
Energy: 0.8969223870524882
Energy: 0.8968750760111007
Energy: 0.9107830832671483
Energy: 0.9180894572098042
Energy: 0.8961336386627564
Energy: 0.917232282747358
Energy: 0.9002261758130004
Energy: 0.9112887662996008
Energy: 0.9132493396747869
Energy: 0.8944611706310284
Energy: 0.918218787475974
Energy: 0.9031816912215662
Energy: 0.886964486304868
Energy: 0.9542538295562071
Energy: 0.8818844818897872
Energy: 0.926350922545363
Energy: 0.8954687768255004
Energy: 0.8917228969247054
Energy: 0.950497535861321
Energy: 0.8856182537794371
Energy: 0.9059914673831296
Energy: 0.9184935387711204
Energy: 0.9289102941709154
Energy: 0.8820059712537518
Energy: 0.8746062089520954
Energy: 0.9229824299765769
Energy: 0.9188733596696048
Energy: 0.9234936989024659
Energy: 0.8874311186083177
Energy: 0.8754668241360754
Energy: 0.9217839061371539
Energy: 0.8460689399996497
Energy: 0.9423010405033895
Energy: 0.8760257450469601
Energy: 0.8713608852885038
Energy: 0.9009873070798704
Energy: 0.8519459753119469
Energy: 0.9317515214916939
Energy: 0.8764020301383295
Energy: 0.8714998116275464
Energy: 0.9093562082433531
Energy: 0.9129865100452037
Energy: 0.8731675316189031
Energy: 0.8850693943627742
Energy: 0.8748179422089982
Energy: 0.8871696226640594
Energy: 0.9118068223633872
Energy: 0.8728816253995679
Energy: 0.8811638995214394
Energy: 0.8743704949580221
Energy: 0.8903260880732452
Energy: 0.9136122376708005
Energy: 0.8699403684673321
Energy: 0.8900025828612991
Energy: 0.9308717718354292
Energy: 0.9253101610812805
Energy: 0.9122844365128863
Energy: 0.8802935809650326
Energy: 0.8924504643829517
Energy: 0.9032127125107711
Energy: 0.9349092093078483
Energy: 0.9054383702018165
Energy: 0.8744086549973347
Energy: 0.861414529908729
Energy: 0.9255494681024721
Energy: 0.9245961619055633
Energy: 0.9030938138012103
Energy: 0.8581081946798398
Energy: 0.8627367340399265
Energy: 0.9227359787906868
Energy: 0.905152807314962
Energy: 0.9081019057692342
Energy: 0.863222799448095
Energy: 0.9160350783230238
Energy: 0.8888379691304821
Energy: 0.896877860642796
Energy: 0.9166501396004946
Energy: 0.8627043837979386
Energy: 0.8660399495115293
Energy: 0.8878892245604432
Energy: 0.8890730092893051
Energy: 0.8870541680886682
Energy: 0.8896491433661545
Energy: 0.9124667770465226
Energy: 0.886869001800598
Energy: 0.8877083332283238
Energy: 0.8869862397717643
Energy: 0.8908666555965719
Energy: 0.9150872748975551
Energy: 0.8841383519182315
Energy: 0.8874152065179965
Energy: 0.9000406533893635
Energy: 0.8769445263551376
Energy: 0.9058423869542778
Energy: 0.8910358569221954
Energy: 0.9175146355267382
Energy: 0.888178662286426
Energy: 0.8766187746839922
Energy: 0.9043596965259842
Energy: 0.889641443215675
Energy: 0.917157391564672
Energy: 0.8787944150755906
Energy: 0.9300832437917754
Energy: 0.9316014301172438
Energy: 0.9109609570744984
Energy: 0.8990340500618521
Energy: 0.8796441081113319
Energy: 0.9293423134101205
Energy: 0.9188759915661242
Energy: 0.9234502458286015
Energy: 0.9052435843361221
Energy: 0.9048433890208711
Energy: 0.9327284733242777
Energy: 0.9133483632465511
Energy: 0.9147500304502734
Energy: 0.9365364390806165
Energy: 0.8987578990529591
Energy: 0.9321465874843623
Energy: 0.9156446857761807
Energy: 0.9010904245855906
Energy: 0.8923413692741267
Energy: 0.8849012634007868
Energy: 0.8705842775096193
Energy: 0.9345779861427597
Energy: 0.8953975858042624
Energy: 0.870451425301995
Energy: 0.8827056874299126
Energy: 0.8704733746088035
Energy: 0.8999752369090589
Energy: 0.9095183472363505
Energy: 0.8704102845064744
Energy: 0.8715387840469244
Energy: 0.9065778913106288
Energy: 0.8436204328609646
Energy: 0.8438330560444833
Energy: 0.9016966844102197
Energy: 0.878251331150232
Energy: 0.9068120186027796
Energy: 0.8435622338946777
Energy: 0.8438206187831534
Energy: 0.8952882549135424
Energy: 0.8879312163647278
Energy: 0.8804691591223842
Energy: 0.9072259184775348
Energy: 0.8795397917067976
Energy: 0.8734033948804265
Energy: 0.9053005595511164
Energy: 0.8802154203020832
Energy: 0.9082637162075231
Energy: 0.8803010907336929
Energy: 0.8694619213514053
Energy: 0.9000336057618072
Energy: 0.870711139221704
Energy: 0.8854879553501429
Energy: 0.920456674091519
Energy: 0.8839104176988807
Energy: 0.9054046602121151
Energy: 0.8706941306383575
Energy: 0.8869642761186146
Energy: 0.922922660244225
Energy: 0.886990199243863
Energy: 0.8754380539343177
Energy: 0.8889075766807008
Energy: 0.9041939874652845
Energy: 0.9314934803704407
Energy: 0.8584435339164567
Energy: 0.8855891908334352
Energy: 0.886582632806808
Energy: 0.9239156806791884
Energy: 0.8974101204552021
Energy: 0.8540934106939876
Energy: 0.9494062391597811
Energy: 0.8926489162422127
Energy: 0.8827685259402123
Energy: 0.9233558056110479
Energy: 0.8546086164858618
Energy: 0.9344968487875687
Energy: 0.8955163166747959
Energy: 0.8812428682414085
Energy: 0.9540658968330576
Energy: 0.8545740388029499
Energy: 0.8891869983221025
Energy: 0.8832534734197434
Energy: 0.8961781900630663
Energy: 0.9267078699532849
Energy: 0.8715037554266838
Energy: 0.8879064281532592
Energy: 0.8853201612959858
Energy: 0.8902229480471736
Energy: 0.9413017531813068
Energy: 0.8673324989456366
Energy: 0.9066351281173114
Energy: 0.887227290022709
Energy: 0.914665229173782
Energy: 0.880247601557903
Energy: 0.8879324561100487
Energy: 0.9109058441869424
Energy: 0.895847638268664
Energy: 0.9013797444682665
Energy: 0.8765321492984833
Energy: 0.8880596045605581
Energy: 0.8845664285474703
Energy: 0.9232280172493118
Energy: 0.9399470822471052
Energy: 0.8831785857313164
Energy: 0.9187475657168443
Energy: 0.9043989678355424
Energy: 0.9177662263773194
Energy: 0.9392818568207645
Energy: 0.8931609922323063
Energy: 0.91700289112751
Energy: 0.9059337831305261
Energy: 0.9108365035434454
Energy: 0.8756041414047784
Energy: 0.8889710792368807
Energy: 0.9171644743027555
Energy: 0.8933750656012822
Energy: 0.9115743228523951
Energy: 0.9580560473721174
Energy: 0.8855119127114117
Energy: 0.9299899043863382
Energy: 0.8499975765389997
Energy: 0.9223318908622476
Energy: 0.8880714534128947
Energy: 0.8749602375806343
Energy: 0.9470569425368442
Energy: 0.9222670253552258
Energy: 0.9407155719395165
Energy: 0.8895019056052974
Energy: 0.8872136491204581
Energy: 0.9381309116597839

minimum gb energy = 0.8435622338946777 eV
minimum distance =  2.30936421525961 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8632577619946254
Energy: 0.8814000828382357
Energy: 0.9552535381685179
Energy: 0.8837369750154194
Energy: 0.8739833805320381
Energy: 0.8633808206561008
Energy: 0.8862755610272679
Energy: 0.9542195830325346
Energy: 0.8848446609157044
Energy: 0.8721658018075857
Energy: 0.8796469722248484
Energy: 0.8792734433464219
Energy: 0.878031327653391
Energy: 0.8774645222887074
Energy: 0.8801893445887574
Energy: 0.9346406905983573
Energy: 0.8795354418521197
Energy: 0.8710705929578064
Energy: 0.878192218798168
Energy: 0.8810480846291501
Energy: 0.8800493263176616
Energy: 0.8791720999120775
Energy: 0.8808246603670518
Energy: 0.8849317752105166
Energy: 0.9359388999237396
Energy: 0.8789721329815817
Energy: 0.8776999892328722
Energy: 0.8794213422873897
Energy: 0.9571143648665152
Energy: 0.9374337041923949
Energy: 0.9547649889117131
Energy: 0.8670384820771704
Energy: 0.8695798960064789
Energy: 0.879820117537507
Energy: 0.9376778227947781
Energy: 0.9543697580567554
Energy: 0.8663970536951895
Energy: 0.8713591257587436
Energy: 0.8795051070817027
Energy: 0.866466994762181
Energy: 0.8801673920632856
Energy: 0.8733997779009951
Energy: 0.8661892573737919
Energy: 0.9325883309181949
Energy: 0.8818495961466434
Energy: 0.8794613553668307
Energy: 0.8707634822888279
Energy: 0.866509979662551
Energy: 0.9417350010119983
Energy: 0.879942782777214
Energy: 0.8797230873789268
Energy: 0.9551017533220394
Energy: 0.8870864686993112
Energy: 0.8791143075275435
Energy: 0.8764002574036401
Energy: 0.8803528548706275
Energy: 0.9519203452888486
Energy: 0.8850712971497136
Energy: 0.8796132268700557
Energy: 0.87854749726477
Energy: 0.881886968826271
Energy: 0.8661912426956943
Energy: 0.8795685370084741
Energy: 0.8795851913440759
Energy: 0.9371286796326225
Energy: 0.88181280353412
Energy: 0.8650069979231529
Energy: 0.880105193363132
Energy: 0.8790521409080381
Energy: 0.8843725868530932
Energy: 0.8817269608108175
Energy: 0.9305348862000304
Energy: 0.8853165351137972
Energy: 0.8658185612798726
Energy: 0.875756342235348
Energy: 0.8900222040107203
Energy: 0.9292465087235364
Energy: 0.8835634771204474
Energy: 0.865580720535548
Energy: 0.873458040934558
Energy: 0.8789628997474286
Energy: 0.8703518499026008
Energy: 0.8773485646258739
Energy: 0.8683121284602716
Energy: 0.9392722836533821
Energy: 0.8786918763570873
Energy: 0.8779923089156301
Energy: 0.8782094180287598
Energy: 0.8673905248267265
Energy: 0.9440461888634518
Energy: 0.879622041239933
Energy: 0.8817142955645891
Energy: 0.9299668640112312
Energy: 0.8864698877265759
Energy: 0.8840081820172689
Energy: 0.8819326520828358
Energy: 0.8829313582846829
Energy: 0.9303288311624895
Energy: 0.9473587981692925
Energy: 0.8790803086103045
Energy: 0.8679738959740869
Energy: 0.8916785800126823
Energy: 0.876551905501877
Energy: 0.8799394622124141
Energy: 0.9393273716161865
Energy: 0.8684067250808282
Energy: 0.8830914612485957
Energy: 0.8646964316331447
Energy: 0.880544172248403
Energy: 0.9377644787695638
Energy: 0.8634086077517699
Energy: 0.884373790560421
Energy: 0.9585244016252248
Energy: 0.8834596977634049
Energy: 0.8739491011120682
Energy: 0.8638025012304066
Energy: 0.886133455898036
Energy: 0.8895877481671329
Energy: 0.8848618341737364
Energy: 0.872835067904456
Energy: 0.9387625143651096
Energy: 0.8789961993228442
Energy: 0.8781658192525137
Energy: 0.8780162710568091
Energy: 0.8808477118542151
Energy: 0.9349275798871575
Energy: 0.87931876000689
Energy: 0.8716105085159568
Energy: 0.8781165523575166
Energy: 0.8847356750525366
Energy: 0.880112406387016
Energy: 0.8795653264063877
Energy: 0.8806081412590381
Energy: 0.8880909083686804
Energy: 0.9361065101647487
Energy: 0.8790256195919931
Energy: 0.8780551907850921
Energy: 0.8797367416514772
Energy: 0.9511558240693444
Energy: 0.9375567107195029
Energy: 0.9547901221102904
Energy: 0.8668401456101765
Energy: 0.8692882218548322
Energy: 0.8793075722687074
Energy: 0.9377990881554675
Energy: 0.9541422380172581
Energy: 0.8663049424714634
Energy: 0.8710396801503169
Energy: 0.8794906435072751
Energy: 0.9369291955504194
Energy: 0.8801460554711488
Energy: 0.8726278032521334
Energy: 0.8661223982971028
Energy: 0.9351516688704604
Energy: 0.8810168292964599
Energy: 0.8794261634519369
Energy: 0.8711026667896425
Energy: 0.8664682939081677
Energy: 0.8833400944693822
Energy: 0.8800565040642938
Energy: 0.8796981149441339
Energy: 0.9528476814902608
Energy: 0.8873245860186607
Energy: 0.8787749330599959
Energy: 0.8753367145751398
Energy: 0.8801504623524762
Energy: 0.950826624486282
Energy: 0.8852090752202437
Energy: 0.8792249688889557
Energy: 0.8787102723444867
Energy: 0.8825294073154435
Energy: 0.8660999916114445
Energy: 0.8798682683834327
Energy: 0.8795509049647758
Energy: 0.9339518022254958
Energy: 0.8813340169000511
Energy: 0.865077795289142
Energy: 0.8809567482831198
Energy: 0.8788361962110076
Energy: 0.8850262234273755
Energy: 0.8825931741815668
Energy: 0.9305312574226738
Energy: 0.8856305848406303
Energy: 0.8659157115182451
Energy: 0.8751780554709083
Energy: 0.8950399206953638
Energy: 0.9289754705158354
Energy: 0.8839199130492206
Energy: 0.8655084623536917
Energy: 0.8736166708074579
Energy: 0.879208794784381
Energy: 0.8714290482341374
Energy: 0.8779706721491131
Energy: 0.8685194934188404
Energy: 0.9403938731283407
Energy: 0.8788643293940114
Energy: 0.8776975324066262
Energy: 0.8787502635182879
Energy: 0.8674949437105164
Energy: 0.8826000790441332
Energy: 0.8798207141468951
Energy: 0.8812791367580759
Energy: 0.929287083556413
Energy: 0.8867951881557721
Energy: 0.882996541339101
Energy: 0.8816007117334569
Energy: 0.8826642364634678
Energy: 0.9315306507740208
Energy: 0.941654477153138
Energy: 0.8798371671768848
Energy: 0.8673299790987399
Energy: 0.8913426911870268
Energy: 0.8767127143260299
Energy: 0.8805648071573857
Energy: 0.9401533870285155
Energy: 0.8678933957457078
Energy: 0.8820638936716205
Energy: 0.8646007125877219
Energy: 0.8804191162235097
Energy: 0.9382528825651986

minimum gb energy = 0.8632577619946254 eV
minimum distance =  2.32275206859459 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.848328537935783
Energy: 0.890471811352896
Energy: 0.921259809301497
Energy: 0.8449858315852556
Energy: 0.9249959049438803
Energy: 0.8539166690127161
Energy: 0.9064157409812947
Energy: 0.9199947437461015
Energy: 0.8463736354256426
Energy: 0.8912030585482767
Energy: 0.8318730599555016
Energy: 0.874018977061867
Energy: 0.8790329831574741
Energy: 0.914037957772266
Energy: 0.9282086566006791
Energy: 0.835997037328194
Energy: 0.9037923170851137
Energy: 0.8782573002271603
Energy: 0.9174642166962537
Energy: 0.9001089649346629
Energy: 0.8567042145924963
Energy: 0.9076719218779065
Energy: 0.8449424360791357
Energy: 0.8844633617989031
Energy: 0.8518192122027405
Energy: 0.8367314140370234
Energy: 0.8975017767933348
Energy: 0.8709052931654253
Energy: 0.8991213603705406
Energy: 0.9758399575938438
Energy: 0.911397834328918
Energy: 0.856334166449147
Energy: 0.9163104499179634
Energy: 0.8439149075074014
Energy: 0.9631310525226427
Energy: 0.9243508327621016
Energy: 0.8579220170323344
Energy: 0.9226009126785124
Energy: 0.9879586628881298
Energy: 0.8486058896739157
Energy: 1.0110013747655977
Energy: 0.9383480608338047
Energy: 0.840294024572016
Energy: 0.8453415883053536
Energy: 0.8361187514505807
Energy: 0.9869261180354671
Energy: 0.9393130547475077
Energy: 0.8721067757927908
Energy: 0.8451033420637868
Energy: 0.8452694854286998
Energy: 0.8336464839964358
Energy: 0.8430802120956512
Energy: 0.8422485081422183
Energy: 0.9558178909576117
Energy: 1.03391255086641
Energy: 0.8505386141314888
Energy: 0.8450026587073315
Energy: 0.8439378419403526
Energy: 1.015096255986747
Energy: 0.9967117915647608
Energy: 0.8463680028878905
Energy: 0.8419200171049177
Energy: 0.8444968201297377
Energy: 0.8605381846334099
Energy: 0.9227258790496112
Energy: 0.8459206958070693
Energy: 0.8440267607698233
Energy: 0.845276395432841
Energy: 0.8857066980143924
Energy: 0.9222699660936444
Energy: 0.8482048431500552
Energy: 0.8434283158277118
Energy: 0.8668013926781063
Energy: 0.8416349477641022
Energy: 0.9267027373709292
Energy: 0.8487768816160036
Energy: 0.8444334159670829
Energy: 0.8734929616213636
Energy: 0.8427883243260816
Energy: 0.9195385500367759
Energy: 0.845205315750132
Energy: 0.9907060563107052
Energy: 0.9411292770554756
Energy: 0.9008811213596079
Energy: 0.8555860429476019
Energy: 0.8437139528709238
Energy: 1.027770073583553
Energy: 0.8941535758132169
Energy: 0.8390772115358583
Energy: 0.8543181162331099
Energy: 0.9140692625489336
Energy: 0.8835604661232582
Energy: 0.8889165194680088
Energy: 0.8536738169213901
Energy: 0.8588728598549147
Energy: 0.9009404280101801
Energy: 0.9062812527263447
Energy: 0.8571054542309813
Energy: 0.8500593793285584
Energy: 0.8731893175246063
Energy: 0.9026387293061977
Energy: 0.8951994598110004
Energy: 0.8362655958172733
Energy: 0.8762053242036227
Energy: 0.8535752076345138
Energy: 0.9024642274572585
Energy: 0.9023281450520969
Energy: 0.8631187844657445
Energy: 0.8667486178254903
Energy: 0.8607413784438385
Energy: 1.043426680722689
Energy: 0.8929717855907705
Energy: 0.855065773886345
Energy: 0.8273642935828261
Energy: 0.9302052031499137
Energy: 1.0442059271832544
Energy: 0.858181218276687
Energy: 0.8276005722912154
Energy: 0.8282897965604559
Energy: 0.9320248011136387
Energy: 0.9325318455568399
Energy: 0.8716399569530451
Energy: 0.8442487481896115
Energy: 0.9352122230323135
Energy: 0.914979448386579
Energy: 0.93478569844392
Energy: 0.8277006893233477
Energy: 0.8457405983419937
Energy: 0.9328988693806339
Energy: 0.9107880188083992
Energy: 0.9138147319897229
Energy: 0.8954281002078456
Energy: 0.9454010409151152
Energy: 0.8882732564278032
Energy: 0.8680930708770312
Energy: 0.913362155527219
Energy: 0.896080773772319
Energy: 0.827569037127592
Energy: 0.8894399130270138
Energy: 0.8671948432423137
Energy: 0.8436769594690511
Energy: 0.8400044960403578
Energy: 0.9962896083765166
Energy: 0.848893995770252
Energy: 0.8502632246041967
Energy: 0.842912282664417
Energy: 0.8483147859926413
Energy: 0.9876185359350026
Energy: 0.8437543776341716
Energy: 0.8705111316531775
Energy: 1.01713348474816
Energy: 0.995609504555751
Energy: 0.8362546248646782
Energy: 0.8846070240953618
Energy: 0.8793104921627276
Energy: 0.9700264517853839
Energy: 1.0006196275382742
Energy: 0.8465643354040139
Energy: 0.8922599926854345
Energy: 0.8284777584029059
Energy: 0.8329846644180364
Energy: 0.895447570685638
Energy: 0.82449579128841
Energy: 0.8714216506041906
Energy: 0.8952537851902951
Energy: 0.8417485726012984
Energy: 0.8717066938396356
Energy: 0.83094859013156
Energy: 0.9720178804385001
Energy: 0.8807936360451029
Energy: 0.8904209636195268
Energy: 0.9866351895266989
Energy: 0.831153428979534
Energy: 0.8556535324340108
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Energy: 0.8833772849143435
Energy: 1.0036386656276437
Energy: 0.8311970498965433
Energy: 0.8527139811141407
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Energy: 0.8793562634874562
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Energy: 0.9891689707799093
Energy: 0.852447725109389
Energy: 0.8324984390612575
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Energy: 0.9420866567726007
Energy: 0.9916028382057106
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Energy: 0.8758029652695025
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Energy: 1.0334518007918707
Energy: 1.03316601312747
Energy: 0.9344477592713979
Energy: 0.8363465460718272
Energy: 0.9487446434210565
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Energy: 0.8961353380389747
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Energy: 0.927431786184546
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Energy: 0.8796029483471266
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Energy: 0.9607318251352654
Energy: 0.8384848435014091
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Energy: 0.8329499707727139
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Energy: 0.9343767077087259
Energy: 0.9988636356275618
Energy: 0.9985399475706036
Energy: 0.8619272019966822
Energy: 0.8613788392527373
Energy: 0.9082558202020776
Energy: 1.0031629934885167
Energy: 1.000208233665215
Energy: 0.872964170792274
Energy: 0.9378078013011348
Energy: 0.841882158489332
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Energy: 0.9257556815121968
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Energy: 0.8924292623100387
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Energy: 0.8455326146324844
Energy: 0.8445601728790033
Energy: 0.9710594350926166
Energy: 1.0098008347507477
Energy: 0.8504840474560114
Energy: 0.8452744774614055
Energy: 0.8446077978540854
Energy: 1.007289367624552
Energy: 1.0118762045078327
Energy: 0.8476252014172889
Energy: 0.8474435232443774
Energy: 0.8467069413320228
Energy: 0.8792854086971544
Energy: 0.895019349953549
Energy: 0.8463813451895297
Energy: 0.8473199093819413
Energy: 0.8449047981181307
Energy: 0.8627805621041046
Energy: 0.9229493702026903
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Energy: 0.8453751264980754
Energy: 0.8528225811867687
Energy: 0.8409652700126351
Energy: 0.9442086873503327
Energy: 0.8488406086561253
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Energy: 0.8942410300322832
Energy: 0.8408843056138592
Energy: 0.9584931145083604
Energy: 0.8592718865353196
Energy: 0.9124509734315431
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Energy: 0.8770130365313648
Energy: 0.830003750349374
Energy: 0.8816165358575486
Energy: 0.8520314266159322
Energy: 0.9539340926677464
Energy: 0.9271086566684221
Energy: 0.833455749038968
Energy: 0.9016262678811592
Energy: 0.8316169792992194
Energy: 0.8813706380583858
Energy: 0.8292705837811256
Energy: 0.8330756470707873
Energy: 0.8973888460866573
Energy: 0.8313899168447573
Energy: 0.8303174111508755
Energy: 0.8500113639755777
Energy: 0.8703795905611548
Energy: 0.9033372593052421
Energy: 0.8980354540638795
Energy: 0.8530642161492293
Energy: 0.8778311958847813
Energy: 0.8437086832648493
Energy: 0.909263189745911
Energy: 0.8500032923957184
Energy: 0.8604518401223885
Energy: 0.8698339081935892
Energy: 0.8355738567621075
Energy: 1.043167822371851
Energy: 0.922305253744904
Energy: 0.8440741436857299
Energy: 0.8274649779748898
Energy: 0.8758832826209435
Energy: 1.043107704026569
Energy: 0.9069230406999977
Energy: 0.833268728364765
Energy: 0.8340073553457462
Energy: 0.855121037027998
Energy: 0.901779964681542
Energy: 0.8283600965360869
Energy: 0.8438828807304903
Energy: 0.9053597284923269
Energy: 0.8995722189852012
Energy: 0.9020338110616136
Energy: 0.8443729972437992
Energy: 0.8417936455357928
Energy: 0.9374420000269119
Energy: 0.9102385789012158
Energy: 0.911469683035377
Energy: 0.8878684355234071
Energy: 0.9222158146977599
Energy: 0.859732790472146
Energy: 0.8675315111510579
Energy: 0.910978911502342
Energy: 0.8901625586027825
Energy: 0.9489690636942049
Energy: 0.8715823229049156
Energy: 0.8800097595072014
Energy: 0.8650820488289539
Energy: 0.8949635957798572
Energy: 0.8273495808731669
Energy: 0.8305000150491196
Energy: 0.8565240059304424
Energy: 0.8626387256728167
Energy: 0.8903998937852248
Energy: 0.8352396667076892
Energy: 0.8728657085316447
Energy: 0.8588585900342774
Energy: 1.0106914053599187
Energy: 1.0074289151426985
Energy: 0.8835514308025215
Energy: 0.9030935727871731
Energy: 0.8727616087768633
Energy: 0.9650053124681426
Energy: 1.0007347078104856
Energy: 0.8747790602037513
Energy: 0.9808606804257063
Energy: 0.8277385284476975
Energy: 0.8381484592975149
Energy: 0.9065047666288247
Energy: 0.886820725884204
Energy: 0.8722624468252916
Energy: 0.8660713710201068
Energy: 0.8398914356799818
Energy: 0.8912980135642024
Energy: 0.8931951148960604
Energy: 0.867941971494499
Energy: 0.9176300238287294
Energy: 0.8795349831673093
Energy: 0.9713794373404538
Energy: 0.9884399520890158
Energy: 0.9238340160366045
Energy: 0.848717520317424
Energy: 0.9675200175290272
Energy: 0.9727281424888563
Energy: 0.9880118450078615
Energy: 0.9033933433073497
Energy: 0.845370834638306
Energy: 0.8428112496705976
Energy: 0.8475454127357404
Energy: 0.8564813358686947
Energy: 0.8427647380364405
Energy: 0.8498952762608936
Energy: 0.843231925038349
Energy: 0.825124166237882
Energy: 0.8513453914424703
Energy: 0.8433800422560265
Energy: 0.8609484984476491
Energy: 0.8541069243642343
Energy: 0.8769259403173014
Energy: 0.9084320667084507
Energy: 0.8438233131834305
Energy: 0.8462404631365235
Energy: 0.8567323702185644
Energy: 0.8797698135863734
Energy: 0.8981894110098886
Energy: 0.8422479507758246
Energy: 0.8467315378519682
Energy: 0.9060759569196478
Energy: 0.8415224826067841
Energy: 0.8574663445945632
Energy: 0.9218408259768752
Energy: 0.9044397040251457
Energy: 0.9019603888665504
Energy: 0.8412626652754087
Energy: 0.8578331805600254
Energy: 0.9255510161776005
Energy: 0.9288878396214307
Energy: 0.8500072170025341
Energy: 0.8464604842243995
Energy: 0.8940023363056551
Energy: 1.029559420891073
Energy: 0.8443285530354739
Energy: 0.8347423931031941
Energy: 0.8336863790003454
Energy: 0.9075676700886747
Energy: 1.0296499214262376
Energy: 0.8459071276975978
Energy: 0.8545092255014768
Energy: 0.8483968965028968
Energy: 0.8568524267374615
Energy: 0.8444627789334679
Energy: 0.8354952415463704
Energy: 0.8670291114526444
Energy: 0.8714662468662561
Energy: 0.8411270707291529
Energy: 0.8441410517943092
Energy: 0.84719435282827
Energy: 0.8496621814233357
Energy: 0.8382514750851547
Energy: 0.8663061937335185
Energy: 1.0252901273389443
Energy: 0.9088237701980764
Energy: 0.8362103275825356
Energy: 0.8389317575966995
Energy: 0.8663932624378408
Energy: 0.9178883979858667
Energy: 0.9459257984987268
Energy: 0.9026532341225646
Energy: 0.9647034173432008
Energy: 0.8954882881413531
Energy: 0.869281335217989
Energy: 0.8293210108460313
Energy: 0.8585360167371197
Energy: 0.9136408670903342
Energy: 0.8430644552832547
Energy: 0.8950497666475601
Energy: 0.8327131297132367

minimum gb energy = 0.82449579128841 eV
minimum distance =  2.28285424580991 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.2233744652020049
Energy: 0.8550384143678059
Energy: 0.8757443500419452
Energy: 0.8574224121254441
Energy: 0.9450447499165656
Energy: 1.2227142725588174
Energy: 0.8027941041867961
Energy: 0.9039209406873785
Energy: 0.7603289250600996
Energy: 0.8981667700544022
Energy: 0.7546806160608913
Energy: 0.8188864800398821
Energy: 0.7593683835191374
Energy: 0.9438968736367168
Energy: 0.7884889331907058
Energy: 0.7606450587223786
Energy: 0.8171802161052077
Energy: 0.7584598339681328
Energy: 0.8808322132477683
Energy: 0.7876494785752565
Energy: 0.8562344846526488
Energy: 0.8680490479967481
Energy: 0.7865290428947649
Energy: 0.7863786624225306
Energy: 0.7612668275672182
Energy: 0.8556848735800843
Energy: 0.8691676083286077
Energy: 0.7875125352707703
Energy: 0.7877194837778968
Energy: 0.8551284789355021
Energy: 0.7884049725202463
Energy: 0.7921638758857966
Energy: 0.9073136180154601
Energy: 0.8549583573109649
Energy: 0.7615154139254012
Energy: 0.7894743788546195
Energy: 0.7877235154549631
Energy: 0.8805738555651922
Energy: 0.8556948836876929
Energy: 0.7616403433382344
Energy: 0.7780437583913427
Energy: 0.8013643399563705
Energy: 0.7861302292531219
Energy: 0.7865971966152189
Energy: 0.7605648631968224
Energy: 0.7772026991008608
Energy: 0.8831209633139843
Energy: 0.7866155715685593
Energy: 0.7874306180463317
Energy: 0.7627192320756137
Energy: 0.8068422445292638
Energy: 0.788514517698911
Energy: 0.757571065528911
Energy: 0.7783643977536059
Energy: 0.8139212789102458
Energy: 0.8070963275335328
Energy: 0.7875084361636668
Energy: 0.757800914987108
Energy: 0.7807632242256706
Energy: 0.8132746283825665
Energy: 0.8740773589585276
Energy: 0.8522238978700322
Energy: 0.8506245386974551
Energy: 0.7861216193743088
Energy: 0.7865969127509396
Energy: 0.8738508426521018
Energy: 0.7614901313369323
Energy: 0.8536692102874223
Energy: 0.7874112242466854
Energy: 0.78690745245865
Energy: 0.8667753314537442
Energy: 0.7600726140060735
Energy: 0.7880139697715118
Energy: 0.7842858956469905
Energy: 0.8804222153488651
Energy: 0.8668190505723958
Energy: 0.757730840134206
Energy: 0.788109775868766
Energy: 0.7747088518115408
Energy: 0.8803300384027027
Energy: 0.7877304941132256
Energy: 0.7841444690947446
Energy: 0.8012594297126551
Energy: 0.7915278482989561
Energy: 0.7883368082372634
Energy: 0.7867333754609821
Energy: 0.8796968634534502
Energy: 0.7999640529674907
Energy: 0.8492317742970987
Energy: 0.7869713884566291
Energy: 0.8057169286686122
Energy: 0.7845796590135732
Energy: 0.7611541816692147
Energy: 0.7589792907517666
Energy: 0.8006548255998114
Energy: 0.8591167652134749
Energy: 0.7839416574657168
Energy: 0.7614942022085829
Energy: 0.9093896198096556
Energy: 0.8010581880452557
Energy: 0.7620464566752857
Energy: 0.7586134850546731
Energy: 0.8041417551575477
Energy: 0.813112283382656
Energy: 0.7657255858940337
Energy: 0.7597597219127664
Energy: 0.758017794274905
Energy: 0.8086682221311536
Energy: 0.8135462711558585
Energy: 0.7891461090746156
Energy: 0.7614604128768311
Energy: 0.7571085050526475
Energy: 0.7582753649618806
Energy: 0.8836330219648961
Energy: 0.7606733917211997
Energy: 0.7601828733762344
Energy: 0.7578048301092609
Energy: 0.7580649081472882
Energy: 0.884415996482792
Energy: 0.7597237195654616
Energy: 0.7616372644570693
Energy: 0.7624998433475517
Energy: 0.7798713661820956
Energy: 0.8798652058679336
Energy: 0.8079546993888012
Energy: 0.7622657967063682
Energy: 0.7638161107386578
Energy: 0.7847283920720255
Energy: 0.8785082347810913
Energy: 0.7609952664016878
Energy: 0.7576810503071121
Energy: 0.8064692194546912
Energy: 0.9007738054897039
Energy: 0.7865703716712195
Energy: 0.7677245094365708
Energy: 0.759248406114161
Energy: 0.8049402431833864
Energy: 0.9370826064569852
Energy: 0.787146579416072
Energy: 0.8057529115011844

minimum gb energy = 0.7546806160608913 eV
minimum distance =  2.37976822542912 Angstroms
sigma value = 33