Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000158548355
cohesive_energy=3.5402784227038655
mass=63.546
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=[1.4407989947169838e-19, 2.1537259402544999e-19, 2.6952936860791796e-19, 3.13412986613178e-19, 3.50152499007432e-19, 3.8151030008808e-19, 4.0859990261575193e-19, 4.3218714702149993e-19, 4.5282318206742e-19, 4.70926175854986e-19, 4.86814961534364e-19, 5.00758704780066e-19, 5.1294486025827e-19, 5.2356729134169e-19, 5.32760580867582e-19, 5.40652902966666e-19, 5.47348399120152e-19, 5.52938393396178e-19, 5.57502994626444e-19, 5.6111430075948e-19, 5.63833194507378e-19, 5.65717354228962e-19, 5.668132430466179e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.655571365655619e-19, 5.63330111044302e-19, 5.59938303110124e-19, 5.55168623270706e-19, 5.48783949384216e-19, 5.40491083126632e-19, 5.299359434618399e-19, 5.1669395358183e-19, 5.002460082571859e-19, 4.79959247717478e-19, 4.55045401058778e-19, 4.2453354924088197e-19, 3.8719802713878e-19, 3.4167698461357195e-19, 2.85927646456908e-19, 2.1654859167480599e-19, 1.295012136259422e-19, 1.9239257456398797e-20, -1.219802760706194e-19, -3.04887804743664e-19, -5.459785380980819e-19, -8.6963744428569e-19, -1.3103754080028479e-18, -1.90783989223452e-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: 0.013653325466286836
Energy: 0.014242425776798651
Energy: 0.6498246891974228
Energy: 0.09805121569691087
Energy: 0.014242425777425868
Energy: 0.7639451744412343
Energy: 0.09805121569753808
Energy: 0.7639451744375755
Energy: 0.6498246891962033
Energy: 0.09805121569691087
Energy: 0.013653325466286836
Energy: 0.014242425776798651
Energy: 0.09805121569691087
Energy: 0.7639451744412343
Energy: 0.014242425776798651
Energy: 0.7639451744406419

minimum gb energy = 0.013653325466286836 eV
minimum distance =  2.49382894998479 Angstroms
sigma value = 1


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

Energy: 1.2147782764990216
Energy: 0.7569254560926685
Energy: 0.8064725884719501
Energy: 0.8058125445126773
Energy: 0.8059500767861992
Energy: 0.8313253476299415
Energy: 0.7812355103215988
Energy: 0.8313253476299415
Energy: 0.8068280806313229
Energy: 0.806122819767104
Energy: 0.7815340659077963
Energy: 0.8061228197663434
Energy: 0.7814384654771264
Energy: 0.7804007241813622
Energy: 0.7807132152764203
Energy: 0.7804007241821229
Energy: 0.8371256003220314
Energy: 0.7804327440503813
Energy: 0.7817962959861875
Energy: 0.7804327440503813
Energy: 0.7817986162656246
Energy: 0.8809016701595135
Energy: 0.7817793793208188
Energy: 0.8809016701595135
Energy: 0.8252473198843924
Energy: 0.8522685297757103
Energy: 0.8233673050466477
Energy: 0.8522685297764709
Energy: 0.8251991389974564
Energy: 0.8684460570153094
Energy: 0.8024074225435972
Energy: 0.8684460570145487
Energy: 0.8346394896826693
Energy: 0.8903787219467632
Energy: 0.8377692611513275
Energy: 0.8903787219482845
Energy: 0.8394029099294491
Energy: 0.8790450246684531
Energy: 0.8374204881174016
Energy: 0.8790450246684531
Energy: 0.833760189682915
Energy: 0.8899010184350038
Energy: 0.8353543559928017
Energy: 0.8899010184365251
Energy: 0.8420704314262621
Energy: 0.8882545702629534
Energy: 0.8030968395696275
Energy: 0.8882545702637141
Energy: 0.8277357050372077
Energy: 0.8522855061102854
Energy: 0.8370061125155679
Energy: 0.8522855061110461
Energy: 0.7827026155074308
Energy: 0.8532222814570508
Energy: 0.8229105457597209
Energy: 0.853222281458572
Energy: 0.8236174514448003
Energy: 0.7796837285760105
Energy: 0.7791160187100938
Energy: 0.7796837285752498
Energy: 0.7536800550496059
Energy: 0.7815531903093947
Energy: 0.781147456857286
Energy: 0.7815531903093947
Energy: 0.8058276344780411
Energy: 0.8056964188743629
Energy: 0.7533063874773691
Energy: 0.8056964188758842
Energy: 0.7814505753519339
Energy: 0.780538162162693
Energy: 0.8062785897264974
Energy: 0.7805381621634536
Energy: 0.7990859685899848
Energy: 0.8063095037481346
Energy: 0.8071177080154949
Energy: 0.806309503749656
Energy: 0.7808920536669989
Energy: 0.7810665270536129
Energy: 0.7811899524907363
Energy: 0.7810665270528522
Energy: 0.78414635604743
Energy: 0.7817790663617126
Energy: 0.8238464295783987
Energy: 0.7817790663601913
Energy: 0.7821738465762426
Energy: 0.78125029345166
Energy: 0.781661172741441
Energy: 0.7812502934508992
Energy: 0.8372714785969829
Energy: 0.8542870589297284
Energy: 0.824544418600834
Energy: 0.854287058930489
Energy: 0.7980955344590197
Energy: 0.8526952272870534
Energy: 0.8271859429462535
Energy: 0.8526952272862928
Energy: 0.8386289301407438
Energy: 0.8909865253411496
Energy: 0.8348063399833322
Energy: 0.8909865253426711
Energy: 0.8379387675014686
Energy: 0.8873541512452489
Energy: 0.8409725678921225
Energy: 0.8873541512452489
Energy: 0.8355093993861195
Energy: 0.8892566688059457
Energy: 0.833979321172645
Energy: 0.8892566688067064
Energy: 0.7997720256496138
Energy: 0.8887476608087924
Energy: 0.8374124297909716
Energy: 0.8887476608087924
Energy: 0.8243028029417447
Energy: 0.8520478164550658
Energy: 0.8544973657628222
Energy: 0.8520478164543052
Energy: 0.8230799506363862
Energy: 0.8533379578232476
Energy: 0.7827269547171326
Energy: 0.8533379578240082
Energy: 0.7787196333549173
Energy: 0.7796584396792718
Energy: 0.8085108161016326
Energy: 0.7796584396807931
Energy: 0.7811327278148185
Energy: 0.7811575603758528
Energy: 0.7535705041754769
Energy: 0.7811575603766134
Energy: 0.7533219569125219
Energy: 0.8069565440419452
Energy: 0.8067002164455814
Energy: 0.8069565440427059

minimum gb energy = 0.7533063874773691 eV
minimum distance =  2.3078422832186 Angstroms
sigma value = 1


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

Energy: 1.3726305499665972
Energy: 0.794505350051701
Energy: 0.8519128855291725
Energy: 0.8508548871471544
Energy: 0.8563755624314071
Energy: 0.8752972546153064
Energy: 0.8242109117035095
Energy: 0.8752972546153064
Energy: 0.8503867086434409
Energy: 0.8514137691760173
Energy: 0.8238014882437846
Energy: 0.8514137691803537
Energy: 0.8255552420783233
Energy: 0.8236256930940122
Energy: 0.824892484226585
Energy: 0.8236256930966142
Energy: 0.8248888459551396
Energy: 0.823892968748126
Energy: 0.8234236476196267
Energy: 0.8238929687489932
Energy: 0.8262152914737445
Energy: 0.9260205746613331
Energy: 0.8259378509152641
Energy: 0.9260205746630678
Energy: 0.8783358421657376
Energy: 0.907949943146924
Energy: 0.8733626178065192
Energy: 0.9079499431503933
Energy: 0.8745435986076593
Energy: 0.9099800669622563
Energy: 0.8436451438884006
Energy: 0.9099800669648582
Energy: 0.8744456795015179
Energy: 0.9433035615376635
Energy: 0.8822429675079073
Energy: 0.9433035615385308
Energy: 0.8451459233605535
Energy: 0.9427222657053459
Energy: 0.8871033827596438
Energy: 0.9427222657036113
Energy: 0.8582075241098417
Energy: 0.9073041555255998
Energy: 0.8790833397284478
Energy: 0.9073041555325383
Energy: 0.8731367596530285
Energy: 0.9093420915761018
Energy: 0.8263216538114896
Energy: 0.9093420915778364
Energy: 0.8233350968255523
Energy: 0.8234879332356824
Energy: 0.8570176994926587
Energy: 0.8234879332365497
Energy: 0.8244128879083051
Energy: 0.8238311377017605
Energy: 0.7905877794984939
Energy: 0.8238311377034951
Energy: 0.7901258460351709
Energy: 0.8504457903122015
Energy: 0.8512517528601187
Energy: 0.8504457903130689
Energy: 0.8568263217868611
Energy: 0.8253626021727654
Energy: 0.8246195915085544
Energy: 0.8253626021710307
Energy: 0.851072824964491
Energy: 0.851327992828328
Energy: 0.8247542137237835
Energy: 0.8513279928309301
Energy: 0.8251300855404132
Energy: 0.8240412703033928
Energy: 0.8252035850304089
Energy: 0.8240412703025254
Energy: 0.8236744824534686
Energy: 0.8260274817606126
Energy: 0.825495337525226
Energy: 0.8260274817632144
Energy: 0.8259689584550065
Energy: 0.8247854512922622
Energy: 0.8256722344236754
Energy: 0.8247854512844564
Energy: 0.8764958993958267
Energy: 0.9092788275946896
Energy: 0.8732853723300845
Energy: 0.9092788275920876
Energy: 0.8740226671599155
Energy: 0.9085380463451148
Energy: 0.8433812529359874
Energy: 0.9085380463433801
Energy: 0.8744571556312797
Energy: 0.9435715884319579
Energy: 0.8831752678334654
Energy: 0.9435715884336925
Energy: 0.8439380290795929
Energy: 0.9424886390375198
Energy: 0.8879111093961383
Energy: 0.9424886390375198
Energy: 0.8733023946319163
Energy: 0.9071096261460503
Energy: 0.9172932714162192
Energy: 0.9071096261495195
Energy: 0.8733082757348721
Energy: 0.9083652862633037
Energy: 0.825895066329868
Energy: 0.9083652862633037
Energy: 0.8229126016120487
Energy: 0.8234267283423183
Energy: 0.8559186302560441
Energy: 0.8234267283431855
Energy: 0.823849463244841
Energy: 0.8246181552228666
Energy: 0.790384093822871
Energy: 0.8246181552237339
Energy: 0.7900277441577779
Energy: 0.8520397770545184
Energy: 0.8521655464135736
Energy: 0.8520397770536904

minimum gb energy = 0.7900277441577779 eV
minimum distance =  2.31040272754852 Angstroms
sigma value = 25


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

Energy: 1.3127494205910528
Energy: 0.8364122062505096
Energy: 0.9008568340411777
Energy: 0.9009489409803435
Energy: 0.9169274356648642
Energy: 0.9232542008443162
Energy: 0.875901250150808
Energy: 0.9232542008443162
Energy: 0.9004903765864604
Energy: 0.9010194250918503
Energy: 0.8743152018330703
Energy: 0.9010194250918503
Energy: 0.8758870443434337
Energy: 0.874359488025733
Energy: 0.8756392684351643
Energy: 0.874359488025733
Energy: 0.8738508420723787
Energy: 0.874655745027532
Energy: 0.8746075510069383
Energy: 0.874655745027532
Energy: 0.8764688517901971
Energy: 0.8768178100250597
Energy: 0.8747953670025264
Energy: 0.8768178100260677
Energy: 0.9278108379891126
Energy: 0.9765040410715564
Energy: 0.9253741003399832
Energy: 0.9765040410705481
Energy: 0.9263471370466714
Energy: 0.976837394693544
Energy: 0.8455625044853206
Energy: 0.9768373946925358
Energy: 0.9275034419819388
Energy: 0.9756657508675627
Energy: 0.9162269102375842
Energy: 0.9756657508675627
Energy: 0.8749685578915833
Energy: 0.9764609907322521
Energy: 0.8751732538611788
Energy: 0.9764609907322521
Energy: 0.830220369377696
Energy: 0.8739009214893299
Energy: 0.874633724859175
Energy: 0.8739009214873134
Energy: 0.8307784647259899
Energy: 0.874321894307169
Energy: 0.8752226170202718
Energy: 0.8743218943081772
Energy: 0.9012094116575144
Energy: 0.9011360947998506
Energy: 0.8304264400825643
Energy: 0.9011360947998506
Energy: 0.8756969810426845
Energy: 0.8755446951346977
Energy: 0.9168597470208759
Energy: 0.8755446951346977
Energy: 0.8741613750191456
Energy: 0.9020145328025606
Energy: 0.9023954469634584
Energy: 0.9020145328025606
Energy: 0.874733915009084
Energy: 0.8749851321639447
Energy: 0.8754144958266163
Energy: 0.8749851321629365
Energy: 0.8773273455121151
Energy: 0.8768085529870752
Energy: 0.8740092045160927
Energy: 0.8768085529870752
Energy: 0.8772850902360944
Energy: 0.8745332521738381
Energy: 0.87675083560571
Energy: 0.87453325217283
Energy: 0.9252266861458698
Energy: 0.9775487355960054
Energy: 0.8763553069501965
Energy: 0.9775487355960054
Energy: 0.8459996012348692
Energy: 0.9765540412052761
Energy: 0.8765209871341404
Energy: 0.9765540412062843
Energy: 0.916466995953968
Energy: 0.9755660047127781
Energy: 0.9266945680239586
Energy: 0.9755660047127781
Energy: 0.9171788057713015
Energy: 0.9759372257047074
Energy: 0.8764664407688443
Energy: 0.9759372257047074
Energy: 0.874250607404669
Energy: 0.8738357870665534
Energy: 0.8307296604459334
Energy: 0.8738357870655452
Energy: 0.8747087361371709
Energy: 0.8743052924590338
Energy: 0.8306224250566978
Energy: 0.8743052924580256
Energy: 0.8301421106896464
Energy: 0.9027631813302306
Energy: 0.902869570907545
Energy: 0.9027631813302306

minimum gb energy = 0.8301421106896464 eV
minimum distance =  2.30753239510663 Angstroms
sigma value = 9


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

Energy: 1.2233348933987145
Energy: 0.8816244896634259
Energy: 0.9572514451595344
Energy: 0.95654255283306
Energy: 0.9828150531974106
Energy: 0.9741037876780146
Energy: 0.9362408788615786
Energy: 0.9741037876768118
Energy: 0.9567956315295801
Energy: 0.9564730136558357
Energy: 0.9556791879570805
Energy: 0.9564730136594439
Energy: 0.9300439245858326
Energy: 0.9755116940145871
Energy: 0.9363219821258153
Energy: 0.9755116940121817
Energy: 0.9330242882086895
Energy: 0.9368055222091985
Energy: 0.9347829230096006
Energy: 0.9368055222104013
Energy: 0.9315247208788644
Energy: 0.9374052581348198
Energy: 0.9366438831231774
Energy: 0.9374052581336171
Energy: 0.9907421403145481
Energy: 1.062023386789742
Energy: 0.9363743633449859
Energy: 1.0620233867849311
Energy: 0.9368862848855635
Energy: 1.0567544832228155
Energy: 0.9366268834905367
Energy: 1.0567544832240183
Energy: 0.9341972929862749
Energy: 0.9362097476307024
Energy: 0.8721681134735867
Energy: 0.9362097476271215
Energy: 0.936400714846667
Energy: 0.9367111884211273
Energy: 0.8724910050193436
Energy: 0.9367111884223301
Energy: 0.8717234787872801
Energy: 0.9566296071694315
Energy: 0.9559474586344505
Energy: 0.956629607170607
Energy: 0.9827287692030122
Energy: 0.9296322244747799
Energy: 0.9363593006028731
Energy: 0.9296322244735772
Energy: 0.956225677773734
Energy: 0.9563974926253076
Energy: 0.9720986019064449
Energy: 0.9563974926216994
Energy: 0.9577853062651619
Energy: 0.9296729209634005
Energy: 0.9557180446799991
Energy: 0.9296729209609951
Energy: 0.9334616910859431
Energy: 0.9327507391739158
Energy: 0.9368111372149346
Energy: 0.9327507391751186
Energy: 0.9316806344104884
Energy: 0.9370606293512495
Energy: 0.9364360898739861
Energy: 0.9370606293500467
Energy: 0.9862052410809234
Energy: 1.0614052541832302
Energy: 0.93585709920956
Energy: 1.0614052541832302
Energy: 0.9844174395669817
Energy: 1.0613665925021842
Energy: 0.9368436040975092
Energy: 1.0613665925045896
Energy: 0.9337964654932721
Energy: 0.9364147188995104
Energy: 0.8720138877407151
Energy: 0.9364147188995104
Energy: 0.9363422322486815
Energy: 0.9366612057975265
Energy: 0.8726454245630315
Energy: 0.9366612057975265
Energy: 0.8720419680128116
Energy: 0.9586297550391437
Energy: 0.9576582059212321
Energy: 0.9586297550379409

minimum gb energy = 0.8717234787872801 eV
minimum distance =  2.3121004344005 Angstroms
sigma value = 25


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

Energy: 1.0968339107815266
Energy: 0.929174471040414
Energy: 1.0221083836685871
Energy: 1.0220427785459996
Energy: 1.0182072347571909
Energy: 0.993963104896829
Energy: 0.947234013178824
Energy: 0.9939631048983164
Energy: 1.021491943988106
Energy: 1.021122116562274
Energy: 1.019892454701834
Energy: 1.021122116562274
Energy: 1.0215651228895286
Energy: 0.9945121227125997
Energy: 0.9465122290823713
Energy: 0.9945121227111122
Energy: 0.94308198315848
Energy: 0.9464631275163651
Energy: 0.9476161903370278
Energy: 0.9464631275208272
Energy: 0.9215615411234038
Energy: 1.0573249369447493
Energy: 0.944377298977028
Energy: 1.0573249369447493
Energy: 0.9172253367722524
Energy: 0.9457827213715804
Energy: 0.9472484842870285
Energy: 0.9457827213715804
Energy: 0.9177931355645592
Energy: 0.9951488259941914
Energy: 0.9488117667812506
Energy: 0.9951488259941914
Energy: 1.0203595659089868
Energy: 1.0213273653521668
Energy: 1.1197048800566918
Energy: 1.0213273653521668
Energy: 1.024253983959198
Energy: 0.9225903465720703
Energy: 1.0173731926100826
Energy: 0.9225903465705828
Energy: 1.0210979488594123
Energy: 1.0211976534763259
Energy: 1.0258347907479464
Energy: 1.0211976534763259
Energy: 1.0213826444314562
Energy: 0.9467360651703294
Energy: 1.0207521682645186
Energy: 0.9467360651703294
Energy: 0.9449606745361058
Energy: 1.0590662180543111
Energy: 0.9432042060408208
Energy: 1.0590662180528236
Energy: 0.9464113417356119
Energy: 0.9461145830424357
Energy: 0.9234965911909487
Energy: 0.9461145827153727
Energy: 0.9477019753904483
Energy: 1.0135975262922103
Energy: 0.9172817247045414
Energy: 1.0135975262922103
Energy: 0.9453761687919663
Energy: 0.9460797684972717
Energy: 0.9171732175088079
Energy: 0.9460797684734731
Energy: 1.1138832997254933
Energy: 1.0230483875974363
Energy: 1.0210528554147007
Energy: 1.0230483875974363

minimum gb energy = 0.9171732175088079 eV
minimum distance =  2.31589719594015 Angstroms
sigma value = 17


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

Energy: 1.4802912205340844
Energy: 1.0537837570152124
Energy: 1.1131124164423636
Energy: 1.1132096217978455
Energy: 0.9460384429938925
Energy: 0.9970397434414646
Energy: 1.063505227727983
Energy: 0.9970397434414646
Energy: 0.9971311700108275
Energy: 0.9964511454785225
Energy: 1.1130745087507339
Energy: 0.9964511454776801
Energy: 0.9963992849971448
Energy: 1.0070062226341696
Energy: 0.9941385753042058
Energy: 1.0070062226291534
Energy: 0.9969011666613538
Energy: 1.0938061107275145
Energy: 0.9468572365675005
Energy: 1.0938061107283568
Energy: 0.9971419082254306
Energy: 1.0588721544177166
Energy: 0.9962879147673089
Energy: 1.058872154420244
Energy: 1.0408070169690908
Energy: 0.9953723381019921
Energy: 0.997740486659073
Energy: 0.9953723381019921
Energy: 1.1745104145911869
Energy: 0.9952654149406673
Energy: 0.9688414766228648
Energy: 0.9952654149406673
Energy: 1.1187566380101825
Energy: 1.1114735660100594
Energy: 1.1154296880770829
Energy: 1.1114735660109019
Energy: 1.110884995139391
Energy: 1.0432477507330316
Energy: 1.0631602494810641
Energy: 1.0432477507330316
Energy: 0.9943438822914957
Energy: 0.9672918887216775
Energy: 0.9648815324137829
Energy: 0.9672918887199927
Energy: 1.1122741194763008
Energy: 0.9682024849574953
Energy: 0.9681458382107594
Energy: 0.9682024849566528
Energy: 1.041345205017648
Energy: 0.9992373925109367
Energy: 0.9973029059657588
Energy: 0.999237392511779
Energy: 1.0419357915569474
Energy: 0.9983008948377378
Energy: 0.9660383981780063
Energy: 0.9983008948385803
Energy: 1.1125638999241878
Energy: 1.1123179984328497
Energy: 1.1751743032807902
Energy: 1.1123179984328497
Energy: 1.1193670853762592
Energy: 1.110449696652855
Energy: 1.1752572824125473
Energy: 1.1104496966520125
Energy: 1.114735089930885
Energy: 0.9957875717474751
Energy: 0.9961113294134017
Energy: 0.99578757174916
Energy: 1.1137635915432138
Energy: 0.9958652181972187
Energy: 0.9954645350296593
Energy: 0.9958652181963763
Energy: 0.996210666890839
Energy: 1.093269820059895
Energy: 0.9967443469378904
Energy: 1.0932698200607371
Energy: 1.0457287706134324
Energy: 1.059924569295123
Energy: 0.996867133029923
Energy: 1.0599245692959656
Energy: 0.9971028797573903
Energy: 0.9960141308152122
Energy: 1.1102137985204819
Energy: 0.9960141308143698
Energy: 0.9967430721523632
Energy: 0.9977382297796589
Energy: 1.0416698530237203
Energy: 0.9977382297788164
Energy: 1.0630330440526754
Energy: 1.0597340949490133
Energy: 1.0644905442368884
Energy: 1.0597340949481708
Energy: 1.1160000929758924
Energy: 1.1114192856089848
Energy: 1.1103738298107566
Energy: 1.1114192856089848
Energy: 0.9663236114588679
Energy: 0.9996625323307899
Energy: 1.1131483792795451
Energy: 0.9996625323307899
Energy: 0.9679285410419142
Energy: 0.996861582336697
Energy: 0.9947001562014303
Energy: 0.9968615823341698
Energy: 0.9647535686445344
Energy: 0.9674934113189426
Energy: 1.0425370803467768
Energy: 0.9674934113189426
Energy: 0.9722029324776559
Energy: 0.966373421642367
Energy: 1.0412844368324723
Energy: 0.966373421642367
Energy: 0.9672920641103157
Energy: 0.9960219326629242
Energy: 1.041778301338078
Energy: 0.9960219326612393
Energy: 1.1754074784207105
Energy: 1.1114951303697638
Energy: 1.1112757637392658
Energy: 1.1114951303697638

minimum gb energy = 0.9460384429938925 eV
minimum distance =  2.29364090258155 Angstroms
sigma value = 53


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

Energy: 1.3521140929948983
Energy: 0.9279262738546702
Energy: 1.0621387571697984
Energy: 1.0593552806512048
Energy: 1.177847298221717
Energy: 0.9794318871314754
Energy: 1.0519095183357783
Energy: 0.9794318871314754
Energy: 1.057925011249026
Energy: 1.054162362148964
Energy: 1.0546206424743718
Energy: 1.054162362148964
Energy: 1.0524031108849239
Energy: 0.9806084989611423
Energy: 1.0497933105976582
Energy: 0.9806084989611423
Energy: 1.0602851807779539
Energy: 0.9800401741622692
Energy: 0.914086377924653
Energy: 0.980040174166148
Energy: 1.0502186264786644
Energy: 0.9833263367019234
Energy: 0.9156924540687603
Energy: 0.9833263366999839
Energy: 1.180853909673068
Energy: 1.05127824014645
Energy: 1.0515797303062144
Energy: 1.0512782401503287
Energy: 1.179642004400959
Energy: 1.0504967483050012
Energy: 1.0492703634275768
Energy: 1.0504967483050012
Energy: 1.055285680515464
Energy: 1.0524494096845656
Energy: 1.0573632034131502
Energy: 1.0524494096845656
Energy: 1.0493344375181526
Energy: 0.9820017822444801
Energy: 1.0535971365692547
Energy: 0.9820017822444801
Energy: 1.0588791710408572
Energy: 0.9849396923636128
Energy: 0.9359196588240251
Energy: 0.9849396923655522
Energy: 1.0534159385743784
Energy: 0.9797566251975831
Energy: 0.9149455275730282
Energy: 0.9797566251995226
Energy: 1.1799566431042867
Energy: 1.050647774324152
Energy: 1.0481651737434803
Energy: 1.050647774324152

minimum gb energy = 0.914086377924653 eV
minimum distance =  2.30860170923507 Angstroms
sigma value = 9


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

Energy: 1.311614092592132
Energy: 1.0864853982656473
Energy: 1.16738192482023
Energy: 1.1669230746986126
Energy: 1.0330357766687657
Energy: 0.9873919080338446
Energy: 1.1626852208693546
Energy: 0.9873919080316913
Energy: 0.9969576690387514
Energy: 0.9903148878701573
Energy: 1.145781727727379
Energy: 0.9903148878701573
Energy: 0.9892125039481021
Energy: 0.9891445133897685
Energy: 1.219730408105446
Energy: 0.9891445133897685
Energy: 0.9877097542940988
Energy: 0.9863522928484705
Energy: 1.2177928006378944
Energy: 0.9863522928477525
Energy: 0.9860102850974226
Energy: 0.9864580862448885
Energy: 1.227039535934251
Energy: 0.9864580862456063
Energy: 1.1602830439387029
Energy: 1.1476322335186102
Energy: 1.1608993558844518
Energy: 1.1476322335186102
Energy: 1.160735759969473
Energy: 1.1468985033594103
Energy: 1.146823561958433
Energy: 1.1468985033579748
Energy: 1.0289553142790606
Energy: 1.106315518492965
Energy: 1.0440805546805987
Energy: 1.1063155184944007
Energy: 0.9885078749287031
Energy: 1.0663429510629505
Energy: 1.1489226255803673
Energy: 1.0663429510629505
Energy: 1.0267449529935855
Energy: 1.0273555283967188
Energy: 1.0739209797932248
Energy: 1.0273555283974365
Energy: 1.041426069218716
Energy: 1.0291383657844149
Energy: 1.2195203721799635
Energy: 1.0291383657851325
Energy: 1.1598420114359005
Energy: 1.027268598268234
Energy: 1.0462744936496935
Energy: 1.027268598267516
Energy: 1.1601256901637624
Energy: 1.0280818554264124
Energy: 1.0316108883443136
Energy: 1.02808185542713
Energy: 1.1466055606266874
Energy: 1.0459947310773514
Energy: 1.0406152852900963
Energy: 1.045994731078787
Energy: 1.07233942116254
Energy: 1.1102604668146299
Energy: 1.0407643049293325
Energy: 1.1102604668146299
Energy: 1.1508948499076699
Energy: 1.0830497005822985
Energy: 1.0302707713555392
Energy: 1.0830497005837343
Energy: 1.1475906970649792
Energy: 1.1487868438232696
Energy: 1.2189039786217695
Energy: 1.1487868438232696
Energy: 1.1630150391686798
Energy: 0.9870814922379587
Energy: 1.03373498606402
Energy: 0.9870814922379587
Energy: 1.2247884282344013
Energy: 0.9934191583008248
Energy: 0.9974975712497647
Energy: 0.9934191583001071
Energy: 1.1644577754431162
Energy: 0.9879790955766149
Energy: 0.9898075583996124
Energy: 0.987979095575897
Energy: 1.2179466163274597
Energy: 0.9858194088245873
Energy: 0.9861058883324828
Energy: 0.9858194088245873
Energy: 1.217979118216461
Energy: 0.9872269877340004
Energy: 0.9861443356207854
Energy: 0.9872269877325648
Energy: 1.1621775616513825
Energy: 1.1469172569565393
Energy: 1.1604536935928438
Energy: 1.1469172569558215
Energy: 1.1469216742355104
Energy: 1.1464920350371257
Energy: 1.1603563263572947
Energy: 1.1464920350364078
Energy: 1.0420798551035468
Energy: 1.0844017661962957
Energy: 1.0286804917638208
Energy: 1.084401766195578
Energy: 1.1499150315101645
Energy: 1.0674062242321547
Energy: 0.9878602745008573
Energy: 1.0674062242307192
Energy: 1.073374654817584
Energy: 1.0278340261881505
Energy: 1.0278014488336114
Energy: 1.0278340261874326
Energy: 1.2188843881719464
Energy: 1.03898402411961
Energy: 1.0400949515510582
Energy: 1.0389840241188921
Energy: 1.0457516496453976
Energy: 1.0277814172682815
Energy: 1.1609482942547236
Energy: 1.0277814172689992
Energy: 1.0302045468382348
Energy: 1.029037799387575
Energy: 1.1462264779565805
Energy: 1.029037799387575
Energy: 1.0354913799805183
Energy: 1.035137141641066
Energy: 1.147237327531167
Energy: 1.0351371416389126
Energy: 1.0414385904094663
Energy: 1.1130263128681874
Energy: 1.0720623713453639
Energy: 1.1130263128681874
Energy: 1.0288972051479617
Energy: 1.0840313815807205
Energy: 1.0773856477397026
Energy: 1.0840313815792848
Energy: 1.219476674261071
Energy: 1.1473141693752271
Energy: 1.1529796881078402
Energy: 1.1473141693759448

minimum gb energy = 0.9858194088245873 eV
minimum distance =  2.28306336993966 Angstroms
sigma value = 73


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

Energy: 1.3989638302342697
Energy: 1.046240763517518
Energy: 1.1344340155932149
Energy: 1.1340955398502324
Energy: 1.040716719431806
Energy: 1.0008421995763226
Energy: 1.1069527454196462
Energy: 1.0008421995763226
Energy: 1.008225669747064
Energy: 1.0057280834777158
Energy: 1.1359940499497196
Energy: 1.005728083476577
Energy: 1.0039627716199278
Energy: 1.0029403334536513
Energy: 1.204691295348364
Energy: 1.00294033345479
Energy: 1.0048911861581438
Energy: 1.0044877587145622
Energy: 1.1576546048985612
Energy: 1.0044877587122845
Energy: 1.0599130995765134
Energy: 1.0040221538967549
Energy: 1.158771961913715
Energy: 1.0040221538978935
Energy: 1.1093097013640298
Energy: 1.132929941933996
Energy: 1.1514127268709582
Energy: 1.1329299419328573
Energy: 1.0568625903213793
Energy: 1.1318595721661562
Energy: 1.1319291586905553
Energy: 1.1318595721627398
Energy: 1.0396388383895327
Energy: 1.1018748159489007
Energy: 1.133641453912651
Energy: 1.1018748159489007
Energy: 1.0564191183808638
Energy: 1.040372374448199
Energy: 1.1333546982595377
Energy: 1.0403723744493378
Energy: 1.0407614591510361
Energy: 0.9786544088065596
Energy: 0.9943567510580047
Energy: 0.9786544088042819
Energy: 1.0400271536631651
Energy: 0.9828593448644354
Energy: 1.1902346118813363
Energy: 0.9828593448644354
Energy: 1.1352939684206216
Energy: 1.052729272155832
Energy: 1.0329218781964438
Energy: 1.0527292721569708
Energy: 1.1351370163866807
Energy: 1.0370606996425213
Energy: 1.0343085297700514
Energy: 1.0370606996425213
Energy: 1.1507404171457625
Energy: 1.0367781009974044
Energy: 1.0351566528242315
Energy: 1.0367781009974044
Energy: 1.206791686533082
Energy: 1.035226472347511
Energy: 1.0356991760711325
Energy: 1.035226472347511
Energy: 1.1571469897974571
Energy: 1.03317652246196
Energy: 1.0347492673379393
Energy: 1.03317652246196
Energy: 1.1093393223050998
Energy: 1.1108910731449029
Energy: 1.094952938833267
Energy: 1.1108910731449029
Energy: 1.103988270550715
Energy: 1.0760634460108773
Energy: 1.0570396844691137
Energy: 1.0760634460120162
Energy: 1.1035206008700238
Energy: 1.0772979462371828
Energy: 1.0988911243878325
Energy: 1.0772979462360441
Energy: 1.1034947733475355
Energy: 1.079012813442988
Energy: 1.04619334006126
Energy: 1.0790128134441268
Energy: 1.157995114295569
Energy: 1.0980612435742552
Energy: 1.0989707369438793
Energy: 1.098061243575394

minimum gb energy = 0.9786544088042819 eV
minimum distance =  2.27855637380749 Angstroms
sigma value = 7


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

Energy: 1.6265042059663952
Energy: 1.0174076848351867
Energy: 1.1404161002663662
Energy: 1.1399070405032332
Energy: 1.0862644978281903
Energy: 1.093778703625839
Energy: 1.1008417113816602
Energy: 1.0937787036306341
Energy: 1.0056019912699417
Energy: 1.0072478950793564
Energy: 1.1037751939866678
Energy: 1.0072478950801618
Energy: 1.0063854557040004
Energy: 1.0063575567110015
Energy: 1.1953096759636788
Energy: 1.0063575567118066
Energy: 1.0034507847564782
Energy: 1.0023419234619488
Energy: 1.1763198746159753
Energy: 1.002341923459533
Energy: 1.0064307939214163
Energy: 1.0023054351477245
Energy: 1.174961446103674
Energy: 1.002305435146114
Energy: 1.0970658483935989
Energy: 1.0039267457244372
Energy: 1.0051666605862137
Energy: 1.0039267457204106
Energy: 1.0982423709622342
Energy: 1.001729486931464
Energy: 1.001388564405288
Energy: 1.001729486929048
Energy: 1.1958611865528057
Energy: 1.0051975416021943
Energy: 1.0046487525071937
Energy: 1.0051975416038048
Energy: 1.1956627389180399
Energy: 1.1425985867597845
Energy: 1.0013970732365123
Energy: 1.1425985867646162
Energy: 1.1014128521046822
Energy: 1.0930669406518192
Energy: 1.010800746057483
Energy: 1.0930669406494034
Energy: 1.0959446982771643
Energy: 1.0946846736665723
Energy: 1.1662452394993068
Energy: 1.0946846736722091
Energy: 1.0954380384433604
Energy: 1.069617960737278
Energy: 1.097053341474029
Energy: 1.0696179607356675
Energy: 1.0970452555804002
Energy: 1.0676237809753792
Energy: 1.0163255218530671
Energy: 1.0676237809705478
Energy: 1.0946853929018547
Energy: 1.0695615225973916
Energy: 1.0146104333842951
Energy: 1.0695615225990023
Energy: 1.0886831253104274
Energy: 1.0953365401000779
Energy: 1.096921673002288
Energy: 1.0953365400993094
Energy: 1.014416580076966
Energy: 1.0919726772098115
Energy: 1.1011358595444247
Energy: 1.0919726772154483
Energy: 1.0025570003985205
Energy: 1.1414942981725198
Energy: 1.1054558141082116
Energy: 1.141494298173325
Energy: 1.0049583356691256
Energy: 1.0055794852807196
Energy: 1.099623214803259
Energy: 1.005579485281525
Energy: 1.0010491924528206
Energy: 1.001611836851398
Energy: 1.0162702213712547
Energy: 1.0016118368538138
Energy: 1.0049847759712105
Energy: 1.0039654815119943
Energy: 1.1785929271064972
Energy: 1.0039654815160204
Energy: 1.0974900141820043
Energy: 1.0024901337739107
Energy: 1.0063302612811669
Energy: 1.0024901337779373
Energy: 1.098231132586123
Energy: 1.002545014275386
Energy: 1.0035149654561948
Energy: 1.00254501427297
Energy: 1.1943155159676775
Energy: 1.005991631929109
Energy: 1.005688106044181
Energy: 1.005991631929109
Energy: 1.1741121558415346
Energy: 1.0070585494207513
Energy: 1.0054523538463502
Energy: 1.0070585494223618
Energy: 1.171198995198652
Energy: 1.0948453670303768
Energy: 1.0055013838666884
Energy: 1.0948453670352085
Energy: 1.1394959004878908
Energy: 1.1025495719958371
Energy: 1.4112453131524725
Energy: 1.1025495719974476
Energy: 1.092073607962385
Energy: 1.0939546744787705
Energy: 1.0957091462717004
Energy: 1.0939546744811863
Energy: 1.101081263687081
Energy: 1.0679698446365735
Energy: 1.0960949171223338
Energy: 1.0679698446381842
Energy: 1.0926382393352716
Energy: 1.1038533679063742
Energy: 1.0161243969919027
Energy: 1.1038533679063742
Energy: 1.0156982853077015
Energy: 1.0924087729317662
Energy: 1.0950651535574596
Energy: 1.0924087729277399

minimum gb energy = 1.0010491924528206 eV
minimum distance =  2.26959512432375 Angstroms
sigma value = 29


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

Energy: 0.9475824774228997
Energy: 0.9491826213259374
Energy: 1.0672913382427878
Energy: 1.1267495143980135
Energy: 0.9719915732268373
Energy: 1.0386905333277725
Energy: 0.9675074343737399
Energy: 1.0386905333274918
Energy: 0.9664403896912784
Energy: 1.0212503107505095
Energy: 0.9490340384349834
Energy: 1.02125031075079
Energy: 0.9544049933788373
Energy: 0.9630603602769315
Energy: 0.9672670889537467
Energy: 0.9630603602774616
Energy: 0.9624738443159916
Energy: 0.9645828438084141
Energy: 0.9533525380939508
Energy: 0.9645828438097854
Energy: 0.9650808034374985
Energy: 1.029328767188077
Energy: 0.9544957621372335
Energy: 1.029328767188077
Energy: 0.9499142153902703
Energy: 1.0211065638998533
Energy: 0.9665811884483971
Energy: 1.0211065639003831
Energy: 0.9672634782083372
Energy: 0.9705764452420469
Energy: 0.9586096305041201
Energy: 0.9705764452338188
Energy: 0.973084691612407
Energy: 0.9647018709494932
Energy: 0.9683084574320572
Energy: 0.9647018709497738

minimum gb energy = 0.9475824774228997 eV
minimum distance =  2.29094542985542 Angstroms
sigma value = 5


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

Energy: 1.2888048177287397
Energy: 0.9037547177093135
Energy: 1.0728882108606603
Energy: 0.9314871509876755
Energy: 0.9485880316319095
Energy: 0.9309022615573294
Energy: 1.0736790261978664
Energy: 0.9309022615588506
Energy: 1.0751342177238068
Energy: 1.0018129663751996
Energy: 1.0786594674027314
Energy: 1.0018129663744388
Energy: 0.9488108507392621
Energy: 0.9267276092537367
Energy: 1.067116879959619
Energy: 0.9267276092537367
Energy: 1.0666583092534632
Energy: 0.9268237662649532
Energy: 1.093053620560602
Energy: 0.9268237662649532
Energy: 0.9283029872797997
Energy: 0.9273350956736746
Energy: 1.0929322095355414
Energy: 0.9273350956729138
Energy: 0.9266675926182463
Energy: 0.9264427490387955
Energy: 1.0689996152001304
Energy: 0.9264427490395561
Energy: 0.9365034908659825
Energy: 0.9313049754777282
Energy: 1.1811504347249027
Energy: 0.9313049754800102
Energy: 0.952686354703521
Energy: 0.9580449976211657
Energy: 1.1893083004217577
Energy: 0.9580449976204048
Energy: 1.1165668886600326
Energy: 0.9080045141767308
Energy: 0.912144005343801
Energy: 0.9080045141759701
Energy: 0.9528768394004691
Energy: 0.905901320585017
Energy: 0.9083539185067242
Energy: 0.905901320585017
Energy: 1.23064921654626
Energy: 0.9047416533093283
Energy: 0.9051603524432739
Energy: 0.9047416533078069
Energy: 1.190702684665132
Energy: 0.9055298387169746
Energy: 0.9055639780998621
Energy: 0.9055298387169746
Energy: 0.9277374682636491
Energy: 0.9543428042219109
Energy: 1.093355806990252
Energy: 0.9543428042226714
Energy: 0.9295387769770348
Energy: 0.9270432191961443
Energy: 1.0932621921903904
Energy: 0.9270432191976656
Energy: 0.9302860224948667
Energy: 0.9292579509929798
Energy: 1.0667492050939789
Energy: 0.9292579509929798
Energy: 0.9281043525799255
Energy: 0.9274107963375178
Energy: 0.9478924666734996
Energy: 0.9274107963359963
Energy: 1.0841363664640449
Energy: 0.932960063174231
Energy: 0.9487288757847785
Energy: 0.9329600631749915
Energy: 1.080378689299648
Energy: 1.0037661704876895
Energy: 1.0761707400778016
Energy: 1.0037661704884158
Energy: 1.0684036255911393
Energy: 0.9265495273275783
Energy: 0.9468486083023622
Energy: 0.9265495273283391
Energy: 1.093080297255482
Energy: 0.9279015730797441
Energy: 1.0664361978776955
Energy: 0.9279015730789835
Energy: 1.09328590843542
Energy: 0.9273317312447904
Energy: 0.9277427092792183
Energy: 0.9273317312447904
Energy: 1.0672609947929275
Energy: 0.926880221322185
Energy: 0.9279076315173558
Energy: 0.9268802213214241
Energy: 1.1810277864186451
Energy: 0.9295437883827832
Energy: 0.9319244005841396
Energy: 0.9295437883820223
Energy: 1.193933036073217
Energy: 0.9550946734494611
Energy: 0.9510827312067306
Energy: 0.9550946734487005
Energy: 0.905862290463906
Energy: 0.9070428480876799
Energy: 1.1166500088595546
Energy: 0.9070428480884406
Energy: 0.9111062352942362
Energy: 0.9072062575718292
Energy: 0.9529018094515606
Energy: 0.9072062575718292
Energy: 0.9069925899381813
Energy: 0.905936934406093
Energy: 0.9791834971974355
Energy: 0.905936934406093
Energy: 0.9054427572108287
Energy: 0.9070542298081508
Energy: 1.190543859355327
Energy: 0.9070542298089113
Energy: 1.0930457156606057
Energy: 0.9535114628367017
Energy: 0.9505749368601746
Energy: 0.9535114628367017
Energy: 1.0932419107729878
Energy: 0.9279325744912152
Energy: 0.93157555306421
Energy: 0.9279325744912152
Energy: 1.0663822302857893
Energy: 0.9280112854410386
Energy: 0.9303618962007467
Energy: 0.9280112854410386
Energy: 0.949190886510949
Energy: 0.9273679521823663
Energy: 0.9278764932849478
Energy: 0.9273679521816055

minimum gb energy = 0.9037547177093135 eV
minimum distance =  2.27611690720188 Angstroms
sigma value = 1


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

Energy: 1.377158007993594
Energy: 0.8538739013440093
Energy: 1.036118887476459
Energy: 0.8816572920474048
Energy: 0.9063196768789296
Energy: 0.8833201096612597
Energy: 1.0835782247471666
Energy: 0.883320109660208
Energy: 1.0841653371939726
Energy: 0.9756915412294278
Energy: 1.0863820746498345
Energy: 0.9756915412283761
Energy: 0.9025179549615354
Energy: 0.9764604950776077
Energy: 1.0736942031150052
Energy: 0.9764604950755041
Energy: 0.88108136676183
Energy: 0.8790181579264071
Energy: 1.0804327751997607
Energy: 0.879018157927459
Energy: 0.8787460481669934
Energy: 0.8796924767335779
Energy: 1.0803585471512511
Energy: 0.879692476732526
Energy: 0.8774945559624492
Energy: 0.878409290593621
Energy: 1.0748956887865995
Energy: 0.8784092905957246
Energy: 0.8859043343862305
Energy: 0.885422520033578
Energy: 1.2400360120477159
Energy: 0.8854225200325263
Energy: 1.0778278369752863
Energy: 0.9250442109927166
Energy: 1.2393181964142397
Energy: 0.9250442109947963
Energy: 1.084692546774119
Energy: 0.8858237880889536
Energy: 0.8833306673219231
Energy: 0.8858237880889536
Energy: 1.0764581849115005
Energy: 0.8786715531227896
Energy: 0.8783776667365611
Energy: 0.8786715531227896
Energy: 1.2366009836395169
Energy: 0.8811682350599207
Energy: 0.879618783642525
Energy: 0.8811682350588689
Energy: 1.2363430726619793
Energy: 0.879520957695913
Energy: 0.8801535070346981
Energy: 0.8795209576927815
Energy: 1.073391630593471
Energy: 0.975131487681162
Energy: 1.0855412304443919
Energy: 0.9751314876780067
Energy: 0.9039193501645697
Energy: 0.9746537975919343
Energy: 1.0837722350451018
Energy: 0.9746537975950896
Energy: 0.9088926457551543
Energy: 0.8811757874623907
Energy: 1.0743670092831716
Energy: 0.8811757874613628
Energy: 0.8792542338597744
Energy: 0.8802483612815415
Energy: 1.0836875046125036
Energy: 0.8802483612836451
Energy: 0.89304668681959
Energy: 0.8847014867169601
Energy: 1.0729342725723423
Energy: 0.8847014867190637
Energy: 0.877850736126842
Energy: 0.8787850108167398
Energy: 1.2392417883468736
Energy: 0.878785010815688
Energy: 0.8808876138738169
Energy: 0.8865951104176792
Energy: 1.240049042792942
Energy: 0.8865951104208345
Energy: 1.0808320714455693
Energy: 0.9226107618391586
Energy: 1.0735548428950366
Energy: 0.9226107618402104
Energy: 1.0825496210796588
Energy: 0.8809705068172697
Energy: 0.8842675800973665
Energy: 0.8809705068172697
Energy: 1.0746094907701809
Energy: 0.878758474809922
Energy: 0.8795134657808362
Energy: 0.878758474809922
Energy: 1.236571009807008
Energy: 0.8797430518349973
Energy: 0.8793654480796615
Energy: 0.8797430518339457

minimum gb energy = 0.8538739013440093 eV
minimum distance =  2.27905249929113 Angstroms
sigma value = 17


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

Energy: 1.4701414782461464
Energy: 0.852128724694065
Energy: 1.037249741307402
Energy: 0.8711151064530317
Energy: 0.8853999753502976
Energy: 0.8707729470870852
Energy: 0.9972115661860016
Energy: 0.870772947086435
Energy: 1.1019414695770868
Energy: 0.8745969441998704
Energy: 1.0182206934419034
Energy: 0.8745969441992203
Energy: 1.15240644701605
Energy: 0.9146078044401751
Energy: 0.990453350105971
Energy: 0.9146078044395252
Energy: 0.9756046952396938
Energy: 0.8511178786713012
Energy: 1.1564048165391576
Energy: 0.8511178786713012
Energy: 0.8518913341610252
Energy: 0.8505608618072698
Energy: 1.1333320196013266
Energy: 0.8505608618040194
Energy: 0.851935292527281
Energy: 0.8506494067207274
Energy: 0.8841383000243422
Energy: 0.8506494067213776
Energy: 0.858497465310967
Energy: 0.8530945966330417
Energy: 1.137682493490124
Energy: 0.8530945966317416
Energy: 1.1259137515196873
Energy: 0.850582397968613
Energy: 1.1000117536862057
Energy: 0.8505823979679629
Energy: 1.0232920809032553
Energy: 0.9182890457463211
Energy: 1.0050922214306364
Energy: 0.9182890457469712
Energy: 1.1222821114393102
Energy: 0.8668700826814166
Energy: 0.8799675193170813
Energy: 0.8668700826827169
Energy: 1.1323718792722148
Energy: 0.868339534730849
Energy: 0.9913019426731072
Energy: 0.868339534730199
Energy: 1.119141533377841
Energy: 0.8664225788332962
Energy: 0.8673677910624271
Energy: 0.8664225788339464
Energy: 1.0126537583089477
Energy: 0.8667228560155699
Energy: 0.8680154465205299
Energy: 0.8667228560175201
Energy: 1.1467088378178645
Energy: 0.8692761600268512
Energy: 0.8751074551760135
Energy: 0.8692761600255511
Energy: 1.1373112446020404
Energy: 0.8681012828105266
Energy: 0.8711883174683511
Energy: 0.8681012828111766
Energy: 0.8677716304290887
Energy: 0.9876290879792031
Energy: 1.1211221622831935
Energy: 0.9876290879798533
Energy: 0.8665136675217168
Energy: 0.8660784271472743
Energy: 1.1272576281577813
Energy: 0.8660784271472743
Energy: 0.8690636575640217
Energy: 0.872934562099315
Energy: 1.0974527105500906
Energy: 0.8729345620999651
Energy: 0.8685129050325763
Energy: 0.8666041360111494
Energy: 1.1404004845903817
Energy: 0.8666041360124496
Energy: 0.996596849778005
Energy: 0.8690179689158548
Energy: 0.8677600193563849
Energy: 0.8690179689165047
Energy: 1.0182333931806196
Energy: 0.8702501534301896
Energy: 1.1039469514643958
Energy: 0.8702501534308398
Energy: 0.9910096759574935
Energy: 0.9127148491759188
Energy: 1.1484030504370923
Energy: 0.9127148491785191
Energy: 1.160805006851965
Energy: 0.8530522310742655
Energy: 0.9749307847583193
Energy: 0.8530522310762159
Energy: 1.1268468198325974
Energy: 0.8505143888453134
Energy: 0.8509325124616954
Energy: 0.8505143888453134
Energy: 0.9912653431931662
Energy: 0.8515381470310456
Energy: 0.8559406265577981
Energy: 0.8515381470290954
Energy: 0.8540056270935049
Energy: 0.8507998794121638
Energy: 0.8518040356768078
Energy: 0.8507998794115137
Energy: 0.9928242610197541
Energy: 0.8529686932017786
Energy: 1.129545287778761
Energy: 0.8529686932024286
Energy: 0.9977960511433095
Energy: 0.917295800611811
Energy: 1.0181428803916854
Energy: 0.9172958006124611
Energy: 0.8811445877572078
Energy: 0.8662128861706136
Energy: 1.1215777888961778
Energy: 0.8662128861699635
Energy: 0.9899710596929207
Energy: 0.8662985814884284
Energy: 1.1350028733816906
Energy: 0.8662985814871281
Energy: 0.8667051857174222
Energy: 0.8662290917383667
Energy: 1.1379865707593741
Energy: 0.8662290917377168
Energy: 0.8664479042761517
Energy: 0.8658892435880469
Energy: 1.0134702262950264
Energy: 0.865889243588697
Energy: 0.8788601301711604
Energy: 0.871337078527365
Energy: 1.1508662023063219
Energy: 0.871337078527365
Energy: 1.0177390223317442
Energy: 0.8943566479211403
Energy: 1.147729811056827
Energy: 0.8943566479224405
Energy: 1.1190507112009775
Energy: 0.8720646774404934
Energy: 0.8680834168452507
Energy: 0.8720646774411432
Energy: 1.1237988291929286
Energy: 0.8661005712286017
Energy: 0.8668147827231959
Energy: 0.8661005712292518
Energy: 1.1009673862600011
Energy: 0.8785704303043399
Energy: 0.868822774099641
Energy: 0.8785704303049898

minimum gb energy = 0.8505143888453134 eV
minimum distance =  2.28099778139606 Angstroms
sigma value = 89


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

Energy: 1.559974394934832
Energy: 0.7859441557087598
Energy: 0.7927622421500092
Energy: 0.7896491643957411
Energy: 0.7912526480357174
Energy: 0.8659324694670848
Energy: 0.7913633228636741
Energy: 0.8659324694687858
Energy: 0.7908714173309339
Energy: 0.8668337016153015
Energy: 0.8074257623119304
Energy: 0.8668337016170024
Energy: 0.7847107531428757
Energy: 0.8670522909636983
Energy: 0.7899018592015292
Energy: 0.8670522909636983
Energy: 0.7886309930280921
Energy: 0.7893331303358802
Energy: 0.8015706156143997
Energy: 0.7893331303341791
Energy: 0.7889685967432062
Energy: 0.7881303622129421
Energy: 0.800286508912164
Energy: 0.7881303622112411
Energy: 0.7890324533359441
Energy: 0.7873003477295287
Energy: 0.7908152696804364
Energy: 0.7873003477278278
Energy: 0.7884487299755164
Energy: 0.7929798008589625
Energy: 0.7837491897946383
Energy: 0.7929798008589625
Energy: 0.7930711452459908
Energy: 0.7879484784314833
Energy: 0.7837383731865308
Energy: 0.7879484784314833
Energy: 0.8124724358181382
Energy: 0.8678044903070542
Energy: 0.7934774247659445
Energy: 0.8678044903070542
Energy: 0.7909697029082181
Energy: 0.8585731487700167
Energy: 0.7823717838419357
Energy: 0.8585731487700167
Energy: 0.7997970558183713
Energy: 0.7881000513654973
Energy: 0.7915787108297268
Energy: 0.7881000513654973
Energy: 0.8009726056957749
Energy: 0.790578148927563
Energy: 0.7890727288945416
Energy: 0.7905781489292637
Energy: 0.7902481999485205
Energy: 0.7869012992711163
Energy: 0.7872156869536219
Energy: 0.7869012992711163
Energy: 0.7841089056373508
Energy: 0.7897477795314379
Energy: 0.79249002024903
Energy: 0.7897477795314379

minimum gb energy = 0.7823717838419357 eV
minimum distance =  2.29689542618805 Angstroms
sigma value = 13


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

Energy: 1.3748811950076025
Energy: 0.7374934320456927
Energy: 0.9494118725964308
Energy: 0.7431277530363777
Energy: 0.8134283693733648
Energy: 0.743651769816904
Energy: 0.8791994418861698
Energy: 0.7436517698176169
Energy: 0.7452575360565209
Energy: 0.7404053373024183
Energy: 0.8960459042369419
Energy: 0.740405337305983
Energy: 1.045862660333959
Energy: 0.7439740642998431
Energy: 0.8813469271836032
Energy: 0.7439740642969914
Energy: 0.8857309243319247
Energy: 0.7426311521855167
Energy: 0.8773907992680651
Energy: 0.7426311521890814
Energy: 0.8815366823093304
Energy: 0.7423438802484512
Energy: 0.8774529361798497
Energy: 0.7423438802484512
Energy: 0.8815226163755987
Energy: 0.7409011521480083
Energy: 0.8784742156292247
Energy: 0.7409011521401662
Energy: 0.8809895250597112
Energy: 0.7402207550284715
Energy: 0.8814637097993976
Energy: 0.7402207550341748
Energy: 0.7398094305693418
Energy: 0.7435035900482565
Energy: 0.8839013313118717
Energy: 0.7435035900461178
Energy: 0.7398679060216701
Energy: 0.7407956160494584
Energy: 0.8826767087836066
Energy: 0.740795616051597
Energy: 0.7431881653295944
Energy: 0.7403534491655916
Energy: 1.3756564249766081
Energy: 0.740353449171295
Energy: 0.8778345931554182
Energy: 0.7393542788746632
Energy: 0.8833642224666896
Energy: 0.7393542788760891
Energy: 0.8802908584990855
Energy: 0.7840312372631485
Energy: 0.8770453990658327
Energy: 0.7840312372688519
Energy: 0.8801745372350323
Energy: 0.7815312204330006
Energy: 1.0445393109769268
Energy: 0.781531220429436
Energy: 0.890071856796344
Energy: 0.743266459532321
Energy: 0.8822013846997535
Energy: 0.7432664595351727
Energy: 0.8891031039525698
Energy: 0.7419813857359431
Energy: 0.7436095209070851
Energy: 0.7419813857295268
Energy: 0.8792100448906562
Energy: 0.7408092961517986
Energy: 0.7425109932817534
Energy: 0.7408092961610666
Energy: 0.7473160449078579
Energy: 0.7403170430822691
Energy: 0.7430224311369501
Energy: 0.7403170430765657
Energy: 1.006498801555838
Energy: 0.7492641746730074
Energy: 0.877251420378463
Energy: 0.7492641746730074
Energy: 0.8819267552025766
Energy: 0.739684965697024
Energy: 0.8960676608500396
Energy: 0.7396849656991626
Energy: 1.0509009506853695
Energy: 0.7406334692730934
Energy: 0.8779401997604713
Energy: 0.7406334692745192
Energy: 0.8822812773836004
Energy: 0.7400676400625402
Energy: 0.8767887000253926
Energy: 0.7400676400539852
Energy: 0.8888142102097984
Energy: 0.7447509150191716
Energy: 0.8786706043886992
Energy: 0.7447509150184585
Energy: 0.7452944711463375
Energy: 0.7395259924717266
Energy: 1.032378609390867
Energy: 0.7395259924703008
Energy: 0.878908637813919
Energy: 0.7412137870433573
Energy: 0.8887725731723771
Energy: 0.7412137870483476
Energy: 0.7417429396657738
Energy: 0.7393907604962235
Energy: 0.8877733434017662
Energy: 0.7393907604947978
Energy: 0.7400403585437105
Energy: 0.7392787694884674
Energy: 1.0364064932910382
Energy: 0.7392787694884674
Energy: 0.7403409085291979
Energy: 0.7442207908162216
Energy: 0.7486324280017721
Energy: 0.7442207908169346
Energy: 0.8768328498005944
Energy: 0.7405959394773788
Energy: 1.0075521872496795
Energy: 0.7405959394816564
Energy: 0.8964001308119659
Energy: 0.7821704256488023
Energy: 0.8768747893771764
Energy: 0.7821704256488023
Energy: 1.031132170664633
Energy: 0.7830568347821407
Energy: 1.0511829743353367
Energy: 0.7830568347835666
Energy: 0.8883555498298645
Energy: 0.742354364304266
Energy: 0.8766825503523126
Energy: 0.7423543643007015
Energy: 0.8901236546518474
Energy: 0.7425911251051122
Energy: 0.7405061846223836
Energy: 0.7425911251008345
Energy: 1.0332066504137343
Energy: 0.7394878884112566
Energy: 0.7397669339438253
Energy: 0.7394878884168952
Energy: 1.0062177167232573
Energy: 0.741135764343146
Energy: 0.7450668330278716
Energy: 0.7411357643445718

minimum gb energy = 0.7374934320456927 eV
minimum distance =  2.29417929278675 Angstroms
sigma value = 37


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

Energy: 1.1996777154523377
Energy: 0.6718567814578897
Energy: 0.673210082378384
Energy: 0.6730374741365543
Energy: 1.134075164237548
Energy: 0.6711938696411895
Energy: 0.9063730129838584
Energy: 0.6711938696411895
Energy: 1.1358621228541659
Energy: 0.6698323057021954
Energy: 0.9100323177648583
Energy: 0.6698323057034219
Energy: 1.1345006778040294
Energy: 0.7502452135221656
Energy: 0.9085053561127732
Energy: 0.7502452135233921
Energy: 1.1394710547560956
Energy: 0.756382254443075
Energy: 0.9073350939336815
Energy: 0.7563822544418486
Energy: 0.9102797229061417
Energy: 0.6712974097274121
Energy: 0.9213228811577734
Energy: 0.6712974097310919
Energy: 0.6709136554449486
Energy: 0.6693735375330843
Energy: 1.1408824556853125
Energy: 0.6693735375330843
Energy: 0.6787546239040415
Energy: 0.671140361938384
Energy: 1.1364482677678156
Energy: 0.6711403619396106
Energy: 0.6711503777942934
Energy: 0.6741759836761549
Energy: 1.136231752248646
Energy: 0.6741759836761549
Energy: 0.6700799326547745
Energy: 0.671055136976971
Energy: 1.1438881343385028
Energy: 0.671055136976971
Energy: 0.6732100822288
Energy: 0.6730374760319464
Energy: 1.1996777154523377
Energy: 0.6718567814578897
Energy: 0.9063730129838584
Energy: 0.671193869639963
Energy: 1.1340751642387745
Energy: 0.671193869639963
Energy: 0.9100323177636317
Energy: 0.6698323057021954
Energy: 1.1358621228553925
Energy: 0.6698323057009689
Energy: 0.9085053561127732
Energy: 0.750245213520939
Energy: 1.1345006778040294
Energy: 0.7502452135221656
Energy: 0.9073350939336815
Energy: 0.756382254443075
Energy: 1.139471054757322
Energy: 0.756382254443075
Energy: 0.9213228811577734
Energy: 0.6712974097261856
Energy: 0.9102797229061417
Energy: 0.6712974097274121
Energy: 1.1408824556853125
Energy: 0.6693735375330843
Energy: 0.6709136554449486
Energy: 0.6693735375330843
Energy: 1.1364482677702685
Energy: 0.671140361938384
Energy: 0.6787546239040415
Energy: 0.6711403619396106
Energy: 1.136231752248646
Energy: 0.6741759836773814
Energy: 0.6711503777942934
Energy: 0.6741759836761549
Energy: 1.1438881343397296
Energy: 0.671055136976971
Energy: 0.6700799326547745
Energy: 0.671055136976971

minimum gb energy = 0.6693735375330843 eV
minimum distance =  2.29810912171907 Angstroms
sigma value = 25


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

Energy: 1.4302280316377345
Energy: 0.5984870497025019
Energy: 0.8318455191112432
Energy: 0.5957214137023005
Energy: 1.2819485474331545
Energy: 0.5930855762350555
Energy: 0.7846382355203482
Energy: 0.5930855762350555
Energy: 1.2853360067259578
Energy: 0.5919333618231761
Energy: 0.7876838435535753
Energy: 0.5919333618241339
Energy: 0.9926501275739614
Energy: 0.5939837152131058
Energy: 0.7847188838856086
Energy: 0.5939837152140635
Energy: 1.1368935522130412
Energy: 0.6587410707929284
Energy: 1.1315916868583358
Energy: 0.658741070791013
Energy: 0.977016770431172
Energy: 0.6568867595281314
Energy: 1.133282541748509
Energy: 0.6568867595271736
Energy: 0.9818230069702444
Energy: 0.6584454557820159
Energy: 1.1387286201535316
Energy: 0.6584454557820159
Energy: 0.7844160854702578
Energy: 0.5940247988960937
Energy: 1.1290378837465083
Energy: 0.5940247988960937
Energy: 0.7876005404483701
Energy: 0.5918246656026761
Energy: 1.2911086976345534
Energy: 0.5918246656017184
Energy: 0.7888710980289818
Energy: 0.5933364711786214
Energy: 1.1317099776157553
Energy: 0.5933364711786214
Energy: 0.5927259271500936
Energy: 0.598755249455735
Energy: 1.2125698910356475
Energy: 0.5987552494547772
Energy: 0.5952870551877482
Energy: 0.5927849345410122
Energy: 1.2899985808004324
Energy: 0.5927849345410122
Energy: 0.5934024968676581
Energy: 0.5921039395522668
Energy: 1.2818509672116964
Energy: 0.5921039395513091
Energy: 0.6035267456779518
Energy: 0.5944013519657787
Energy: 1.2799640945969153
Energy: 0.5944013519657787
Energy: 0.7876855770524359
Energy: 0.5914961077614591
Energy: 1.2853257848325355
Energy: 0.5914961077614591
Energy: 0.7846995395067996
Energy: 0.5935223325385212
Energy: 1.2877494285309234
Energy: 0.5935223325385212
Energy: 0.9858315998439925
Energy: 0.5953475617755466
Energy: 1.2813404470403178
Energy: 0.5953475617745888
Energy: 0.7932757966568886
Energy: 0.6611693865251473
Energy: 1.1350434861171488
Energy: 0.6611693865251473
Energy: 1.1321027720076833
Energy: 0.6578209551997233
Energy: 0.9810103311636652
Energy: 0.6578209551997233
Energy: 1.2875369260626364
Energy: 0.657836488446321
Energy: 0.9774831174813601
Energy: 0.657836488446321
Energy: 1.2135971092377342
Energy: 0.5964217718761191
Energy: 0.7905629039712607
Energy: 0.596421771877077
Energy: 1.2877614743898464
Energy: 0.5911980387994379
Energy: 0.5926442474941724
Energy: 0.5911980388003957
Energy: 1.2878372560338882
Energy: 0.5949628504245491
Energy: 0.7842053864396422
Energy: 0.5949628504235913
Energy: 1.1301837972398296
Energy: 0.5949044675197545
Energy: 0.5990235362700053
Energy: 0.5949044675197545
Energy: 1.2853640458393245
Energy: 0.5913699197099723
Energy: 0.5921060926863851
Energy: 0.5913699197109301
Energy: 1.286342845311086
Energy: 0.59376022300769
Energy: 0.5969771263377718
Energy: 0.5937602230067323

minimum gb energy = 0.5911980387994379 eV
minimum distance =  2.30041492958828 Angstroms
sigma value = 41


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

Energy: 1.4006139337430519
Energy: 0.5436660791881678
Energy: 0.7866990418684281
Energy: 0.5374268829732857
Energy: 1.3881355017423327
Energy: 0.5374363996542306
Energy: 0.6965605441203612
Energy: 0.5374363996534455
Energy: 1.383365832146403
Energy: 0.535099961415744
Energy: 0.7013329988938055
Energy: 0.5350999614149587
Energy: 1.1323738685612412
Energy: 0.538835026668901
Energy: 0.8697048811200238
Energy: 0.538835026668901
Energy: 1.1318525247185391
Energy: 0.5338431356507518
Energy: 0.9965457155224464
Energy: 0.5338431356491814
Energy: 1.125659842505994
Energy: 0.5357537621542366
Energy: 0.992438969501876
Energy: 0.5357537621534514
Energy: 1.1296914386031676
Energy: 0.5911500881518198
Energy: 1.1309319400406022
Energy: 0.591150088152605
Energy: 1.000685898053077
Energy: 0.5961053240766759
Energy: 0.9989366159691484
Energy: 0.5961053240766759
Energy: 0.8586821788700908
Energy: 0.5364473227704174
Energy: 1.2541979104445051
Energy: 0.5364473227696323
Energy: 0.8579126290565361
Energy: 0.5341178657978265
Energy: 1.2611427988272759
Energy: 0.5341178657978265
Energy: 0.7061876162184989
Energy: 0.5410439919681651
Energy: 1.2506527629834423
Energy: 0.541043991926584
Energy: 0.699853042698883
Energy: 0.534693806587889
Energy: 1.382372325816928
Energy: 0.5346938065871037
Energy: 0.6975616618513955
Energy: 0.5375651804622061
Energy: 1.3847408554533442
Energy: 0.5375651804598505
Energy: 0.5436005909808025
Energy: 0.5390852617553304
Energy: 1.2497580850151613
Energy: 0.5390852617561157
Energy: 0.5361838962183042
Energy: 0.5363178483225339
Energy: 1.3822226239686128
Energy: 0.5363178483225339
Energy: 0.5403736723643319
Energy: 0.5367944924241015
Energy: 1.3844389211523287
Energy: 0.5367944924217458
Energy: 0.7039643721327479
Energy: 0.5392720738789049
Energy: 1.3884662523638003
Energy: 0.5392720738796901
Energy: 0.6980771565945121
Energy: 0.5338853438726896
Energy: 1.380648014845891
Energy: 0.5338853438726896
Energy: 0.6988845565907787
Energy: 0.5392264706027734
Energy: 1.12792136897336
Energy: 0.539226470601988
Energy: 0.9933915021990105
Energy: 0.5366055223084529
Energy: 1.1263299274431884
Energy: 0.5366055223084529
Energy: 1.0007328775478483
Energy: 0.5348891415030265
Energy: 1.2519471348644573
Energy: 0.5348891415006708
Energy: 0.9942958593629777
Energy: 0.58960691910082
Energy: 1.1329889789934346
Energy: 0.5896069191376898
Energy: 1.2546720987580586
Energy: 0.5879997650083367
Energy: 1.124011562562156
Energy: 0.5879997650075515
Energy: 0.997800564474375
Energy: 0.5905064556539756
Energy: 0.9930867158576616
Energy: 0.5905064556555462
Energy: 1.2527958295438972
Energy: 0.5347055011221419
Energy: 0.8624749082074858
Energy: 0.5347055011221419
Energy: 1.2546588718305591
Energy: 0.5362567402943075
Energy: 0.9916353577485422
Energy: 0.5362567402950926
Energy: 1.2591980279836072
Energy: 0.5394593285503976
Energy: 0.6987925389869623
Energy: 0.5394593285511827
Energy: 1.380292922930287
Energy: 0.5346427555374914
Energy: 0.6976716921462508
Energy: 0.534642755535921
Energy: 1.2578375234843295
Energy: 0.5388849944524197
Energy: 0.7028353317345717
Energy: 0.5388849944516345
Energy: 1.2557343668164223
Energy: 0.5373087243227892
Energy: 0.5370992917598082
Energy: 0.5373087243235745
Energy: 1.3809764448436521
Energy: 0.5360801979803466
Energy: 0.5358413414223546
Energy: 0.5360801979803466
Energy: 1.3757270316884935
Energy: 0.537954175772361
Energy: 0.5419179168539013
Energy: 0.5379541757731463

minimum gb energy = 0.5338431356491814 eV
minimum distance =  2.30661159238583 Angstroms
sigma value = 15


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

Energy: 1.3585604509122489
Energy: 0.5001489998273999
Energy: 0.7532650640559845
Energy: 0.49635107844177134
Energy: 1.2276689254509976
Energy: 0.4935930599578746
Energy: 0.6293029590073782
Energy: 0.49359305995920494
Energy: 1.4503276756175725
Energy: 0.49245638341427617
Energy: 0.6336784443897719
Energy: 0.4924563834116154
Energy: 1.237883490473515
Energy: 0.4962285102033948
Energy: 0.8949109103149323
Energy: 0.4962285102067208
Energy: 1.2325197401452126
Energy: 0.49015688378951405
Energy: 0.8883356005485755
Energy: 0.49015688379417044
Energy: 1.2308495759288964
Energy: 0.4913422291773877
Energy: 0.8863059680963432
Energy: 0.4913422291773877
Energy: 1.0042156216963616
Energy: 0.4984794333787896
Energy: 1.1165919784493912
Energy: 0.49847943338011996
Energy: 1.119934689939683
Energy: 0.5411886821506352
Energy: 0.8891693436770682
Energy: 0.5411886821513003
Energy: 1.0035241108569497
Energy: 0.5367697016975009
Energy: 1.1141655484553457
Energy: 0.5367697016968358
Energy: 1.0015440275663292
Energy: 0.5374462151902176
Energy: 1.3379203719495925
Energy: 0.5374462151497014
Energy: 0.8926378900744689
Energy: 0.49494872374499393
Energy: 1.1261985198945732
Energy: 0.49494872376029336
Energy: 0.7666601574418527
Energy: 0.49031810046350116
Energy: 1.336589051990539
Energy: 0.49031810046815755
Energy: 0.8866138497133575
Energy: 0.4911609744441454
Energy: 1.3393409197062611
Energy: 0.4911609744441454
Energy: 0.6384923755047315
Energy: 0.49593136097606955
Energy: 1.1235282277715062
Energy: 0.49593136097606955
Energy: 0.6298001976258144
Energy: 0.49101523870310954
Energy: 1.4468635340184102
Energy: 0.49101523870443997
Energy: 0.6350379003630844
Energy: 0.4954079460392899
Energy: 1.3414917502019967
Energy: 0.4954079460399551
Energy: 0.4974495133697103
Energy: 0.4935244515290611
Energy: 1.3459766293927018
Energy: 0.4935244515290611
Energy: 0.4917828085358551
Energy: 0.49134005411693943
Energy: 1.4463061849542471
Energy: 0.49134005411627424
Energy: 0.4969516541737772
Energy: 0.4950613073754861
Energy: 1.233731322785522
Energy: 0.4950613073748209
Energy: 0.636052890143322
Energy: 0.4970478207264591
Energy: 1.452625939909478
Energy: 0.4970478207264591
Energy: 0.6283346254170791
Energy: 0.4907526656216085
Energy: 1.4477621790120951
Energy: 0.4907526656216085
Energy: 0.6389781632630069
Energy: 0.49581265441242894
Energy: 1.2380390245159179
Energy: 0.4958126544144245
Energy: 0.8860074839168882
Energy: 0.4916857692157233
Energy: 1.2282177493526267
Energy: 0.49168576921306256
Energy: 0.888820810103396
Energy: 0.49052133864063674
Energy: 1.3386490192237692
Energy: 0.49052133864063674
Energy: 0.8937250072515994
Energy: 0.49412789941617197
Energy: 1.0103629413413697
Energy: 0.49412789941750224
Energy: 1.1168102156790807
Energy: 0.5376566136050408
Energy: 1.2372032606158516
Energy: 0.5376566136143537
Energy: 0.8863047582497748
Energy: 0.5369577938416901
Energy: 1.1154563725422764
Energy: 0.5369577938416901
Energy: 1.1210057240832665
Energy: 0.5413683487729706
Energy: 1.0099987124124303
Energy: 0.5413683487736357
Energy: 1.1192804107891876
Energy: 0.49765254466437836
Energy: 1.1167601145022625
Energy: 0.497652544659722
Energy: 1.1164780126766045
Energy: 0.49126444085514515
Energy: 0.8865040820760373
Energy: 0.4912644408458324
Energy: 1.342536366505659
Energy: 0.49007741299405594
Energy: 0.7663713443427664
Energy: 0.4900774129953863
Energy: 1.121999735921183
Energy: 0.49514609224142964
Energy: 0.8931009941792136
Energy: 0.49514609224076445
Energy: 1.3400384429233416
Energy: 0.4924918506022327
Energy: 0.6341662643997135
Energy: 0.49249185057495976
Energy: 1.336076229812115
Energy: 0.49284480882358106
Energy: 0.632699984310328
Energy: 0.49284480882358106
Energy: 1.3510579079384293
Energy: 0.49685712175021673
Energy: 0.4991791325173211
Energy: 0.49685712175021673
Energy: 1.450985519046777
Energy: 0.4952192960814022
Energy: 0.4991116480824681
Energy: 0.4952192960814022
Energy: 1.447764032171873
Energy: 0.4959316936619471
Energy: 0.4939453134122836
Energy: 0.4959316936619471

minimum gb energy = 0.49007741299405594 eV
minimum distance =  2.30477064266813 Angstroms
sigma value = 85


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

Energy: 1.5252108419183454
Energy: 0.4416150184644649
Energy: 0.4433373979740385
Energy: 0.44224433541050534
Energy: 1.3377412383077283
Energy: 0.4415470731261369
Energy: 0.5653936471757675
Energy: 0.44154707312555996
Energy: 1.3393590192532594
Energy: 0.4409243723259287
Energy: 0.5656539078766198
Energy: 0.44092437232419796
Energy: 1.138823257917453
Energy: 0.4447834310905548
Energy: 0.7896465700973272
Energy: 0.4447834310917087
Energy: 1.2941746771716809
Energy: 0.4394088446606285
Energy: 0.7896556146899306
Energy: 0.4394088446606285
Energy: 1.1437383748472363
Energy: 0.44037610436743
Energy: 0.7904132183156954
Energy: 0.44037610436569924
Energy: 1.1488193902696058
Energy: 0.44105092700419196
Energy: 0.9977670995229794
Energy: 0.44105092700361503
Energy: 1.1993514689156655
Energy: 0.4398055686157468
Energy: 0.8425817588106712
Energy: 0.43980556855634984
Energy: 1.1471891030416712
Energy: 0.44062545532436775
Energy: 0.9937005790613576
Energy: 0.4406254554195077
Energy: 1.1462605141531528
Energy: 0.5230631746657157
Energy: 1.191994878942946
Energy: 0.5230631746674465
Energy: 0.9946781550705464
Energy: 0.43934889898227547
Energy: 1.0411629058806084
Energy: 0.4393489005467874
Energy: 0.9457077698917205
Energy: 0.43890643971989823
Energy: 1.1922626917748786
Energy: 0.438906440719838
Energy: 0.9939099542396037
Energy: 0.438984745671362
Energy: 1.241989751349289
Energy: 0.43898474566905427
Energy: 0.789617011239069
Energy: 0.4416940069372659
Energy: 1.0392204383294288
Energy: 0.44169400693668903
Energy: 0.7355101593725407
Energy: 0.4387042816399014
Energy: 1.3840478011484871
Energy: 0.43870428164047837
Energy: 0.7935198459691025
Energy: 0.44143022949850425
Energy: 1.2434944870039457
Energy: 0.4414302294996581
Energy: 0.5582546216087668
Energy: 0.43880402451572603
Energy: 1.239429602083103
Energy: 0.4388040245128414
Energy: 0.557820763059009
Energy: 0.43886863570601364
Energy: 1.4335769270920475
Energy: 0.4388686357048598
Energy: 0.5531054537769718
Energy: 0.4404274901490663
Energy: 1.4307331436594732
Energy: 0.4404274901467848
Energy: 0.49872432138233275
Energy: 0.4398653722735774
Energy: 1.4308741814898478
Energy: 0.4398653722724235
Energy: 0.49806139015224
Energy: 0.4374318569898614
Energy: 1.4810228015079647
Energy: 0.43743185698813064
Energy: 0.5003090388789544
Energy: 0.4402115622604126
Energy: 1.287833550564209
Energy: 0.4402115622621433
Energy: 0.6281644028322857
Energy: 0.44100160750105166
Energy: 1.476973158746322
Energy: 0.44100160750047473
Energy: 0.6221239900484281
Energy: 0.4387338671782538
Energy: 1.479268886931553
Energy: 0.4387338671799846
Energy: 0.6239508856364706
Energy: 0.4387000934333048
Energy: 1.1389306314514747
Energy: 0.4387000934333048
Energy: 0.7794576368856788
Energy: 0.4391200799081676
Energy: 1.4830321993880355
Energy: 0.43912007990585994
Energy: 0.7839660351016841
Energy: 0.438620145952359
Energy: 1.338483848540262
Energy: 0.438620145952359
Energy: 0.8800439259688189
Energy: 0.4400343806250842
Energy: 1.140741133944323
Energy: 0.4400343806221996
Energy: 0.9974495907549593
Energy: 0.43852419229383477
Energy: 1.2893478510431484
Energy: 0.43852419229152706
Energy: 0.9948622251278636
Energy: 0.43850729890242507
Energy: 1.1430712135828514
Energy: 0.4385072988614635
Energy: 1.1956562575946017
Energy: 0.522996306740946
Energy: 0.9434113471237777
Energy: 0.5229963067455614
Energy: 1.0412122194261995
Energy: 0.5229653008781291
Energy: 1.1520345043496374
Energy: 0.5229653003343524
Energy: 1.1947189214230596
Energy: 0.5917646879238504
Energy: 0.9418150798051507
Energy: 0.5917646879238504
Energy: 1.296256963208027
Energy: 0.43967780125768335
Energy: 0.9432193337204441
Energy: 0.43967780124614486
Energy: 1.0394097108949207
Energy: 0.4431358568157827
Energy: 0.7890439835083455
Energy: 0.4431358568117442
Energy: 1.3876623286413448
Energy: 0.43946134934323844
Energy: 0.7892314622735787
Energy: 0.439461349339777
Energy: 1.4349196677454559
Energy: 0.44032162490034965
Energy: 0.7896010256271911
Energy: 0.4403216248997727
Energy: 1.2391106284834277
Energy: 0.44570862074293177
Energy: 0.5624181982219434
Energy: 0.44570862074004725
Energy: 1.483606786609469
Energy: 0.43952322619960627
Energy: 0.5617244594917055
Energy: 0.43952322619960627
Energy: 1.4308507120427647
Energy: 0.442257764208013
Energy: 0.5674495201717418
Energy: 0.44225776420628216
Energy: 1.2378864810455277
Energy: 0.4411196818229763
Energy: 0.4401537139821747
Energy: 0.4411196818195148
Energy: 1.4816878512153684
Energy: 0.4396560841450257
Energy: 0.4401422174992999
Energy: 0.43965608414560264
Energy: 1.3361280681993437
Energy: 0.4442544537658815
Energy: 0.44259838878410585
Energy: 0.44425445376700917

minimum gb energy = 0.43743185698813064 eV
minimum distance =  2.30125775652059 Angstroms
sigma value = 113


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

Energy: 0.015446974427897763
Energy: 0.01609570261199951
Energy: 1.1262682954809171
Energy: 0.3865277784477353
Energy: 0.016314166530507813
Energy: 0.10414292577472704
Energy: 0.8360079479776696
Energy: 0.1041429257755894
Energy: 0.016087760044305018
Energy: 0.10286381203400148
Energy: 0.8353222040448012
Energy: 0.10286381203444497
Energy: 0.017075059528160456
Energy: 0.10519089463689876
Energy: 0.8385350151784741
Energy: 0.10519089463776114
Energy: 0.8366303398364503
Energy: 0.10480629149303183
Energy: 0.8378030293035271
Energy: 0.10480629149303183
Energy: 0.015952241627011414
Energy: 0.10283030540056264
Energy: 0.8352918730896802
Energy: 0.10283030540100616

minimum gb energy = 0.015446974427897763 eV
minimum distance =  2.52054988859367 Angstroms
sigma value = 1