Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.628442153334618
cohesive_energy=4.196040208587968
mass=55.845
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=[2.6231476722501596e-21, 2.4330974799250796e-20, 8.642829699748619e-20, 1.80751159141344e-19, 2.77227827334288e-19, 3.5886513554312403e-19, 4.2395516347600793e-19, 4.75567681563684e-19, 5.16791686356504e-19, 5.49918290441088e-19, 5.766041444569919e-19, 5.98103752708638e-19, 6.15394442942766e-19, 6.292500664735979e-19, 6.40290665658492e-19, 6.49011313077354e-19, 6.55814155065318e-19, 6.61029240008988e-19, 6.64938550995948e-19, 6.677872210511999e-19, 6.6979795272687e-19, 6.711630072190379e-19, 6.719640955360379e-19, 6.722268525040139e-19, 6.719416650631619e-19, 6.710172091453439e-19, 6.69328514973108e-19, 6.6672978447276e-19, 6.630383695080239e-19, 6.580203522903359e-19, 6.51384136672308e-19, 6.42741995908512e-19, 6.315812334760679e-19, 6.172049025391859e-19, 5.9866932106044e-19, 5.747007586158e-19, 5.43605714503128e-19, 5.031539588478959e-19, 4.50440745412662e-19, 3.8167372210474793e-19, 2.9187011959241397e-19, 1.7442095926040998e-19, 2.0511225486131397e-20, -1.81675615059162e-19, -4.48450842033234e-19, -8.04486533640714e-19, -1.292338103457276e-18, -1.98882992108322e-18, -3.02577466037436e-18, -4.6274065543188e-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: 0.016064321671891927
Energy: 0.016297003406434283
Energy: -3.0065336927790387
Energy: -4.635270235226457
Energy: 0.016297003406434283
Energy: 1.3700305373310822
Energy: -4.635270235221615
Energy: 1.3700305372453045
Energy: -3.0039129269549667
Energy: -4.635270235220992
Energy: 0.016064321671891927
Energy: 0.016297003406434283
Energy: -4.635270235221615
Energy: 1.3700305372325075
Energy: 0.016297003406434283
Energy: 1.3700305373292487

minimum gb energy = -4.635270235226457 eV
minimum distance =  2.55569885743931 Angstroms
sigma value = 1


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

Energy: -3.212109117826614
Energy: -3.1524092410073217
Energy: -2.998554921564392
Energy: -2.9340547482142885
Energy: -2.8447992181940993
Energy: -2.8097828883027924
Energy: -2.8381496307642715
Energy: -2.797826738301495
Energy: -2.781172028040059
Energy: -2.702691101415901
Energy: -3.1179442407338995
Energy: -2.788982051003573
Energy: -2.815309757628865
Energy: -3.1219733161330763
Energy: -2.802925136290516
Energy: -3.0507265087116653
Energy: -3.301614686388446
Energy: -3.186479579048409
Energy: -3.220125159331116
Energy: -3.133182207501299
Energy: -2.8868753412647385
Energy: -2.998224085332007
Energy: -2.9420053023831887
Energy: -3.0272064470866558
Energy: -2.9154711249805483
Energy: -3.131722556754282
Energy: -3.1047253522374723
Energy: -3.1140464477599927
Energy: -2.964718550973114
Energy: -2.95299698371045
Energy: -3.0588298721161213
Energy: -2.977052466387016
Energy: -2.9797462796231846
Energy: -3.4637823745949468
Energy: -2.9498187614607154
Energy: -3.3567097239745127
Energy: -3.1322068985756
Energy: -3.3521302095070746
Energy: -3.0338483785580173
Energy: -3.3497983724867795
Energy: -2.9046659900225156
Energy: -3.3452233339910165
Energy: -3.119374050739954
Energy: -3.345223287572181
Energy: -2.9255568250740738
Energy: -3.228237028917893
Energy: -3.103852172450547
Energy: -3.2092991284008963
Energy: -3.0528739811810466
Energy: -3.1913807964049865
Energy: -3.0836778104814235
Energy: -3.1633010104387105
Energy: -3.0324870664305776
Energy: -3.009840656806716
Energy: -3.087963565364476
Energy: -3.083732568019298
Energy: -3.208908869522525
Energy: -3.084097160771395
Energy: -3.094208627417418
Energy: -3.2079283637293448
Energy: -3.457953436845954
Energy: -3.1547059695403474
Energy: -2.7297846201761247
Energy: -3.1595112176952225
Energy: -2.8887801621294167
Energy: -2.8724704955158247
Energy: -3.1822843206214895
Energy: -2.6767798430221905
Energy: -2.6740377461830884
Energy: -2.6804490174411644
Energy: -2.7733780229524925
Energy: -2.606742024443828
Energy: -3.3184979309984217
Energy: -2.695774178058223
Energy: -2.7211225077123884
Energy: -2.6114896434174573
Energy: -2.98290025606937
Energy: -2.562169026271005
Energy: -2.885816663489142
Energy: -2.7884281687332795
Energy: -3.121150678097225
Energy: -3.22393079347154
Energy: -3.3419909379227364
Energy: -3.279715218947517
Energy: -2.969852672923766
Energy: -3.004831760032897
Energy: -2.9139723555412793
Energy: -3.086421961270788
Energy: -3.1889726351546637
Energy: -3.1867487456141506
Energy: -2.99216999582351
Energy: -3.232172180780371
Energy: -3.0951975757863446
Energy: -3.1065987713405603
Energy: -3.080705202660404
Energy: -3.1705299593459166
Energy: -2.871951498043315
Energy: -3.3654493228482703
Energy: -2.808258141928515
Energy: -3.3654554343267664
Energy: -2.9160125359550615
Energy: -3.3279967302127837
Energy: -3.054362318934088
Energy: -3.327862948264091
Energy: -3.1446118836599384
Energy: -3.2783775868022658
Energy: -2.9610563251433586
Energy: -3.2783775920052625
Energy: -3.1181053525378295
Energy: -3.210950423718633
Energy: -2.894368356641357
Energy: -3.2109487283861293
Energy: -3.0816781060418537
Energy: -3.1889285723380083
Energy: -3.0468077539013905
Energy: -3.1782925262189243
Energy: -3.028857440275672
Energy: -3.0703200938710324
Energy: -3.0829786807431083
Energy: -3.1291507123925415
Energy: -3.1226277144301777
Energy: -3.0519395674929886
Energy: -3.205387157484863
Energy: -3.0337726129512994
Energy: -2.8191786118182844
Energy: -3.089607967800141
Energy: -3.2045466072498674
Energy: -3.1253454533865095
Energy: -2.9908421145362913
Energy: -2.816011090417911
Energy: -2.8610527515879154
Energy: -2.724785583993406

minimum gb energy = -3.4637823745949468 eV
minimum distance =  2.23461266502377 Angstroms
sigma value = 1


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

Energy: -2.0303270942279505
Energy: -2.254055885735225
Energy: -1.9504739506487687
Energy: -2.2204345552001254
Energy: -1.9643405602417117
Energy: -2.07186781942203
Energy: -1.8882767228793156
Energy: -1.8887939970746783
Energy: -1.891273754460071
Energy: -1.8255960441241947
Energy: -2.225981219560448
Energy: -1.9615081646157226
Energy: -2.0296896721946385
Energy: -2.3660576385736634
Energy: 0.3080644027380219
Energy: -2.286003887413143
Energy: -2.1398812725108214
Energy: -2.3437406661759366
Energy: -2.198354162179787
Energy: -2.2625780822385577
Energy: -1.9641326680242224
Energy: -2.0956335972461844
Energy: -2.174965662585918
Energy: -2.11758062070398
Energy: -2.165033116378486
Energy: -2.2498913748414555
Energy: -2.1469308788305104
Energy: -2.1864626500445232
Energy: -2.0697390387894616
Energy: -2.1107734658618407
Energy: -2.115993091221925
Energy: -2.0815837170635896
Energy: -2.060368317376041
Energy: -2.2972601275738875
Energy: -2.275302151028642
Energy: -2.218464004522702
Energy: -2.197621384234177
Energy: -2.2257727048966682
Energy: -2.1120194962382746
Energy: -2.240415518704035
Energy: -2.1543058865294133
Energy: -2.2378556234941813
Energy: -2.0923159894671035
Energy: -2.2693343757437865
Energy: -1.968500241556411
Energy: -2.2813593568442734
Energy: -2.262174387443694
Energy: -2.154210917799849
Energy: -2.1104045290519804
Energy: -2.204626893302836
Energy: -2.259096698640551
Energy: -2.2071920486250307
Energy: -2.2946801404176864
Energy: -2.166490527552459
Energy: -2.359664443032207
Energy: -2.3356313494254977
Energy: -2.130802996840204
Energy: -1.945050539691918
Energy: -2.0758606825479897
Energy: -1.8913134790839705
Energy: -1.99580216171636
Energy: -1.7917500623585463
Energy: -2.3817693848961365
Energy: -1.799278850365159
Energy: -2.0277092653402233
Energy: -1.7694754355121651
Energy: -2.2655025909102515
Energy: -1.9591305979114335
Energy: -1.9810586525234801
Energy: -1.7978067190832576
Energy: -2.0722562676009297
Energy: -1.9004779787728405
Energy: -2.0965987949976035
Energy: -2.160302422780527
Energy: -2.143753111250277
Energy: -2.3632877510447474
Energy: -1.8744483752538046
Energy: -2.1813413027162305
Energy: -2.1799361600728537
Energy: -2.135161679109919
Energy: -2.2016155950160066
Energy: -2.1663583163568063
Energy: -2.257361049256935
Energy: -2.1688241190965853
Energy: -2.00675399099117
Energy: -2.1851296112473073
Energy: -2.1581596308334525
Energy: -2.2535595925224747
Energy: -2.118794740342995
Energy: -2.220511496619053
Energy: -2.2716039855736887
Energy: -2.236833851884851
Energy: -2.1787744289668165
Energy: -2.1432701715924942
Energy: -2.1531372578917343
Energy: -2.207619068862375
Energy: -2.3000521083213203
Energy: -2.1817982577871264
Energy: -2.0013589752891217
Energy: -2.172393227683318
Energy: 0.5963136852137145
Energy: -2.1264601430466072
Energy: -2.301969207069447
Energy: -2.196648857911992
Energy: -2.0717623034137773
Energy: -2.339659485389074
Energy: -2.3452686233079842
Energy: -2.200149033420102
Energy: -2.172807513176985
Energy: -2.1948808070822228
Energy: -2.32785849584286
Energy: -2.1984422204769656
Energy: -2.149722490488893
Energy: -1.992930967376039
Energy: -1.9827772517665603
Energy: -2.003412513814615

minimum gb energy = -2.3817693848961365 eV
minimum distance =  2.26719684477617 Angstroms
sigma value = 25


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

Energy: -1.0386913719691566
Energy: -1.2523858105874954
Energy: -1.1229284549210994
Energy: -1.5256923884548022
Energy: -0.9854827020723487
Energy: -0.9621251369398893
Energy: -1.322909391935291
Energy: -0.9894281950731397
Energy: -1.395107475209407
Energy: -1.3545762026996067
Energy: -1.1955821484113542
Energy: -1.3404720401274561
Energy: -1.351352226374424
Energy: -1.1669574027128535
Energy: -1.2945335362254
Energy: -1.1052608670939523
Energy: -1.2087064999619213
Energy: -1.11592122414601
Energy: -1.0764496131167276
Energy: -1.1911719210252487
Energy: -1.1507829956107376
Energy: -1.0440087712763786
Energy: -1.1757315194847657
Energy: -1.022442944157707
Energy: -1.1843222107734663
Energy: -1.0503237700948211
Energy: 0.7112280628882248
Energy: -1.0825640960779712
Energy: -1.3152706363568343
Energy: -1.0638035330377604
Energy: -1.275268220914821
Energy: -0.9499050926907826
Energy: -1.1682545016842558
Energy: -1.082806784983906
Energy: -1.2323639200247547
Energy: -1.0679915494587306
Energy: -1.2116638904664467
Energy: -1.1310506505997726
Energy: -1.2518698789503204
Energy: -1.0678431041903014
Energy: -1.3182504900583796
Energy: -1.1507974312188203
Energy: -1.0352138653749505
Energy: -1.157525073087229
Energy: -1.3134057934388452
Energy: -1.1430197590680737
Energy: -1.3065045492136949
Energy: -1.2836745816345734
Energy: -1.367884691425982
Energy: -1.4039902431139575
Energy: 0.6145212832648159
Energy: -1.43084417567511
Energy: -1.398488725220307
Energy: -1.3575815922634225
Energy: -0.8912033252088588
Energy: -1.3811238887765371
Energy: -1.1766865138925575
Energy: -1.168513534373568
Energy: -1.394398673773719
Energy: -1.3913993638129962
Energy: -0.935246714225181
Energy: -1.4052665489765672
Energy: -1.4084494850041507
Energy: -1.6136853261616095
Energy: -1.0450713656744766
Energy: -1.1310789257798246
Energy: -1.1213217850138424
Energy: -1.1101536621816288
Energy: -1.0642562981862693
Energy: -1.0786737725555213
Energy: -1.5237711427577452
Energy: -1.2278883847458897
Energy: -1.0921618969854698
Energy: -1.1244335247222417
Energy: -1.2157357168972347
Energy: -1.0814201714996237
Energy: -1.254981227860913
Energy: -0.9707462634870448
Energy: -1.1027519720871477
Energy: -0.9887145533608848
Energy: -1.281811806491215
Energy: -1.0483850341188095
Energy: -1.143382559917651
Energy: -1.0408809896107813
Energy: -1.300940912986467
Energy: -1.1248880351563693
Energy: -1.2109804781393083
Energy: -1.1005875103671234
Energy: -1.04360102873736
Energy: -1.2322691260461942
Energy: -1.3414095726916269
Energy: -1.1242809842284944
Energy: -1.3206282422185849
Energy: -1.2821359863817046
Energy: -1.221504248273778
Energy: -1.1221902756338165
Energy: 0.6119930841142539
Energy: -1.2805394921278994
Energy: -1.0353674113308464
Energy: -1.4360336819197888

minimum gb energy = -1.6136853261616095 eV
minimum distance =  2.23770469465353 Angstroms
sigma value = 9


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

Energy: 0.11650920155397979
Energy: 0.6054950019092772
Energy: -0.16319883974429633
Energy: -0.17062923645144093
Energy: 0.04795248975683227
Energy: 0.3300647939269109
Energy: 0.6465361509376194
Energy: 0.3300890643981958
Energy: -0.21015510452109026
Energy: -0.3275277551801342
Energy: -0.045579664030279424
Energy: -0.2583081856181199
Energy: 0.09436592515914581
Energy: 0.28936186453844637
Energy: 0.10832089786427249
Energy: 0.28387490246726726
Energy: -0.07940349537746284
Energy: 0.7308083789476258
Energy: 0.7385933847538078
Energy: 0.7308085453145095
Energy: 0.7520377353795737
Energy: -0.019600970428802482
Energy: 0.12408959353656637
Energy: -0.09754279478864841
Energy: 0.11678060675150047
Energy: 0.4709484892257926
Energy: 0.04109130101654627
Energy: 0.4712702850383858
Energy: 0.023224986125159174
Energy: 1.0744981440764414
Energy: 0.7161586936684605
Energy: 1.074496273817886
Energy: 0.7736887983892383
Energy: 0.7253181058480256
Energy: 0.6616758318581325
Energy: 0.7253181060723866
Energy: 0.7346293759996261
Energy: 0.11245352109087202
Energy: 0.6631098667665876
Energy: 0.1095897309726837
Energy: -0.06903099618647272
Energy: -0.11686090265287548
Energy: 0.7342704152796853
Energy: -0.058989966763119385
Energy: 0.00669482215173995
Energy: -0.2250982953117258
Energy: 0.7266034144138612
Energy: -0.24309731806384063
Energy: 0.6030448908603849
Energy: 0.5563274182585424
Energy: -0.0322787947301495
Energy: 0.556326459838792
Energy: 0.5461674232139703
Energy: 0.6137944344785036
Energy: -0.11508953160119795
Energy: 0.6137944345381685
Energy: 0.014610331929697021
Energy: -0.008444163875161795
Energy: 0.06929913042652053
Energy: -0.08919482166802563
Energy: -0.005605315102651124
Energy: 0.9147832540979063
Energy: 0.10642562441943526
Energy: 0.9147832541002939
Energy: 0.043489609846048764
Energy: -0.5721376049830552
Energy: 0.6885411641523724
Energy: -0.6609819743114818
Energy: -0.015511619128784742
Energy: 0.025441900398697304
Energy: -0.14348343807379282
Energy: -0.2197653935879049
Energy: -0.008097304012143201
Energy: -0.011580507350691556
Energy: 0.669246548295043
Energy: 0.08750510823979452
Energy: 0.7228195081441973
Energy: 0.03713265299965488
Energy: -0.20859221775280898
Energy: 0.07726554196854174
Energy: -0.04809422668355263
Energy: -0.14059053188093196
Energy: -0.21786677778902933
Energy: -0.10451528107367394

minimum gb energy = -0.6609819743114818 eV
minimum distance =  2.25087406251129 Angstroms
sigma value = 25


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

Energy: 1.0604313035744195
Energy: 0.9806331598305011
Energy: 0.955321347235942
Energy: 0.8547772958836962
Energy: 0.8921372066618305
Energy: 1.0471437749761558
Energy: 0.8963168997367507
Energy: 1.0471437663739411
Energy: 0.8949320611554238
Energy: 0.8599057409955106
Energy: 0.8986338748204062
Energy: 0.8599057469561117
Energy: 0.891489708325283
Energy: 1.0591067143536372
Energy: 0.9879885872181665
Energy: 1.059106716306066
Energy: 1.009455903476695
Energy: 1.2529013214957399
Energy: 0.9898178548027513
Energy: 1.252901321497216
Energy: 0.9824125930904553
Energy: 1.0021424987183782
Energy: 1.0104081448870956
Energy: 1.002142477762539
Energy: 1.007943348769715
Energy: 1.2540385229706328
Energy: 0.9858431687950171
Energy: 1.254038522972109
Energy: 1.0079212242002438
Energy: 1.055985042089244
Energy: 1.0084795292061572
Energy: 1.0559850441627052
Energy: 0.8755164978236337
Energy: 0.8666432360001032
Energy: 0.7615856147736932
Energy: 0.8666432381901342
Energy: 0.8823418316380519
Energy: 0.8653139524649966
Energy: 0.7778799450280012
Energy: 0.8653139506999725
Energy: 0.9080677822347382
Energy: 0.8970458969850876
Energy: 0.8926087869375628
Energy: 0.8970458969850876
Energy: 0.9128968124225552
Energy: 0.8712566288818456
Energy: 0.8624005414985929
Energy: 0.8712566289172795
Energy: 1.0067034302285862
Energy: 1.2266048834367242
Energy: 1.0130274428639137
Energy: 1.2266048834425962
Energy: 0.9980732606325342
Energy: 0.9860581626391478
Energy: 0.8937182107904592
Energy: 0.986058162628813
Energy: 0.9844927890238262
Energy: 1.2542296192525544
Energy: 1.0110377720419959
Energy: 1.2542296192525544
Energy: 1.011172036490291
Energy: 1.0586997401573395
Energy: 1.011024854680385
Energy: 1.0586997404200413
Energy: 0.7796153001299834
Energy: 0.8613372900158833
Energy: 0.874706664024909
Energy: 0.8613372916731624

minimum gb energy = 0.7615856147736932 eV
minimum distance =  2.32269490502133 Angstroms
sigma value = 17


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

Energy: 0.9251443572022429
Energy: 0.8288661027587545
Energy: 0.9196979025946883
Energy: 0.6774225174222626
Energy: 0.7679462482404539
Energy: 0.9487965519032083
Energy: 0.7703507839422422
Energy: 0.9487965526696364
Energy: 0.9030366365052954
Energy: 0.9434700359078165
Energy: 0.903492478449592
Energy: 0.9434700235045292
Energy: 0.9313570830973856
Energy: 0.9285722001431168
Energy: 0.9047708393081441
Energy: 0.9285720515418651
Energy: 0.9527586332924787
Energy: 1.0086535945068456
Energy: 0.957396471004015
Energy: 1.0086535943839663
Energy: 0.9517458040471839
Energy: 1.0141094790474283
Energy: 0.9438544321510154
Energy: 1.0141094790482645
Energy: 0.9595743311151022
Energy: 0.9490382315858836
Energy: 0.9843118615163199
Energy: 0.9490382315842114
Energy: 0.848145206965789
Energy: 0.9715222613255162
Energy: 0.831440101105277
Energy: 0.9715222613940443
Energy: 0.8394631632685767
Energy: 0.7882918731876767
Energy: 0.9563003291028421
Energy: 0.7882918732119258
Energy: 0.8919670445299066
Energy: 0.8841282792615744
Energy: 0.82708550133169
Energy: 0.8841282717861932
Energy: 0.968904549325895
Energy: 0.9407342385927139
Energy: 0.9487188743046739
Energy: 0.9407342385952224
Energy: 0.8788741483645516
Energy: 0.9229995214817774
Energy: 0.9643234413468253
Energy: 0.922999521484286
Energy: 0.9425739777247603
Energy: 0.8434229716898887
Energy: 0.9064760286972096
Energy: 0.8434229716940694
Energy: 0.9340308783327511
Energy: 0.9246430764177967
Energy: 0.9449463281030384
Energy: 0.9246430764177967
Energy: 0.9014228981603971
Energy: 0.8835357278918871
Energy: 0.8760020398668972
Energy: 0.8835357279144256
Energy: 0.8365510785835837
Energy: 0.8877043646616961
Energy: 0.8762900148464832
Energy: 0.8877043646458088
Energy: 0.882657873798475
Energy: 0.9810121631791442
Energy: 0.8658438757401229
Energy: 0.9810121631808164
Energy: 0.9084765220898207
Energy: 0.980542794709783
Energy: 0.9860264021220565
Energy: 0.9805427947106191
Energy: 0.9507598592270601
Energy: 1.0173706131038514
Energy: 0.9366108342573566
Energy: 1.0173706131030154
Energy: 0.960109267859429
Energy: 0.9875871704912357
Energy: 0.9477725403965148
Energy: 0.987587170376756
Energy: 0.952408565816618
Energy: 0.9384024380817544
Energy: 0.850960624420103
Energy: 0.9384024380817544
Energy: 0.8985627595445302
Energy: 0.8617273406421913
Energy: 0.9600994131267263
Energy: 0.861727340641355
Energy: 0.8344427406723725
Energy: 0.887400218154171
Energy: 0.7929683093990287
Energy: 0.8874002250127611
Energy: 0.9495020483251029
Energy: 0.8916582066638079
Energy: 0.8978374021825098
Energy: 0.8916582066337057
Energy: 0.9314973590959548
Energy: 1.0452874592963888
Energy: 0.8806999559245693
Energy: 1.0452874593080952
Energy: 0.9733341079354623
Energy: 0.9224810125004247
Energy: 0.9625051373737273
Energy: 0.9224810125004247
Energy: 0.9497176906556896
Energy: 0.9332286828772725
Energy: 0.92847140036381
Energy: 0.9332286819378327
Energy: 0.9552185823464204
Energy: 0.9267561544856907
Energy: 0.9381558079751027
Energy: 0.9267561544865268
Energy: 0.83164936242635
Energy: 1.0386991368243446
Energy: 0.9532860691612506
Energy: 1.0386991320895185
Energy: 0.877806460594208
Energy: 0.884089961966726
Energy: 0.8988372417522146
Energy: 0.8840899619115385

minimum gb energy = 0.6774225174222626 eV
minimum distance =  2.29803578285101 Angstroms
sigma value = 53


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

Energy: 1.5764114052977696
Energy: 1.0286352792354068
Energy: 1.1223727092686056
Energy: 1.0188992722380232
Energy: 0.9984112808120731
Energy: 1.0551025048704892
Energy: 1.01990730854128
Energy: 1.0551025048993208
Energy: 1.016908278345241
Energy: 1.0221311240723823
Energy: 1.0869409352735588
Energy: 1.0221311241205076
Energy: 1.017370878070312
Energy: 1.137688852768104
Energy: 1.0214362596836681
Energy: 1.137688852768104
Energy: 1.0151160945527324
Energy: 1.138259371987223
Energy: 1.0301832736404355
Energy: 1.1382593719833731
Energy: 1.020334273698433
Energy: 1.1376741527377623
Energy: 1.0280877183205173
Energy: 1.1376741527358372
Energy: 0.9951415483450434
Energy: 1.021088620649922
Energy: 1.0211240615031267
Energy: 1.0210886226221858
Energy: 0.9909189582157572
Energy: 1.0544105396232997
Energy: 1.0218916465784027
Energy: 1.0544105396021244
Energy: 1.0221028401777055
Energy: 1.0208258561399655
Energy: 1.0869433854280597
Energy: 1.0208258561438155
Energy: 1.054728799163687
Energy: 1.0546028998741441
Energy: 1.019878135677549
Energy: 1.054602899958801
Energy: 1.0610062150381026
Energy: 1.1376728939434864
Energy: 1.0291680570212818
Energy: 1.1376728939434864
Energy: 1.0213825495259874
Energy: 1.104774437717725
Energy: 1.1060452454798428
Energy: 1.1047744377215751
Energy: 0.9966279636336121
Energy: 1.0553931789434876
Energy: 1.0560606545793096
Energy: 1.0553931789261628

minimum gb energy = 0.9909189582157572 eV
minimum distance =  2.32351458598749 Angstroms
sigma value = 9


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

Energy: 1.0064360640139658
Energy: 0.9682350124750568
Energy: 1.0888338381272824
Energy: 0.9354134282465945
Energy: 0.6449047019135605
Energy: 0.3879880684851578
Energy: 1.0028363843761525
Energy: 0.38798806865822555
Energy: 0.9691888333091989
Energy: 0.9205404495582568
Energy: 0.9320423127929559
Energy: 0.9205404495596818
Energy: 0.9445073391639536
Energy: 0.8995754158131063
Energy: 1.0130708609250614
Energy: 0.8995754158145312
Energy: 0.8718517732765358
Energy: 0.8987721696545018
Energy: 0.9374936484377513
Energy: 0.8987721696545018
Energy: 0.7814198302747593
Energy: 0.559100874384139
Energy: 0.9621418657818063
Energy: 0.5591008743948261
Energy: 1.0280017929201457
Energy: 0.9284857318116839
Energy: 1.0073114370730887
Energy: 0.9284857318131089
Energy: 1.0313902627852805
Energy: 0.9487125432621246
Energy: 0.9774644118096629
Energy: 0.9487125432635495
Energy: 0.9681136960075025
Energy: 1.0701782774530368
Energy: 0.9634352177953982
Energy: 1.0701782774516118
Energy: 1.1590699701988967
Energy: 1.2920319515408794
Energy: 0.969374274188347
Energy: 1.2920319515450893
Energy: 0.9908317310401382
Energy: 0.9748235256496396
Energy: 1.027281847379966
Energy: 0.9748235256496396
Energy: 1.0029454391764436
Energy: 0.9164815202716649
Energy: 0.9372942606145135
Energy: 0.9164815202752273
Energy: 0.996151533669797
Energy: 0.9072060639369564
Energy: 0.860935315749846
Energy: 0.9072060639398062
Energy: 0.9953071489348592
Energy: 0.8730019861658832
Energy: 0.9485296852547341
Energy: 0.8730019970170745
Energy: 0.9720720888007369
Energy: 0.9102182314478111
Energy: 0.9481517682565067
Energy: 0.9102182314492362
Energy: 0.9664173664265991
Energy: 0.9898004827826814
Energy: 0.9530670797844174
Energy: 0.9898004827812564
Energy: 0.9595771075817777
Energy: 0.4975510788081044
Energy: 0.7696537854493264
Energy: 0.4975510805144278
Energy: 0.9380360824157454
Energy: 0.856662681928299
Energy: 1.0047481051559053
Energy: 0.8566626840854276
Energy: 0.9879651818788951
Energy: 0.9321087962844454
Energy: 0.6150235765991046
Energy: 0.932108796285158
Energy: 0.9109692535589067
Energy: 0.9230707902873048
Energy: 0.9673029399685771
Energy: 0.9230707902865923
Energy: 1.0092157867716751
Energy: 0.8812019629283103
Energy: 0.9298525690070117
Energy: 0.8812019629268852
Energy: 0.9532031127101841
Energy: 0.8452822771190537
Energy: 0.9906801580682797
Energy: 0.8452822771190537
Energy: 0.9359466421136263
Energy: 0.698219085915421
Energy: 0.8227991335671894
Energy: 0.698219085295823
Energy: 1.0112854736264263
Energy: 0.9346340804822579
Energy: 1.024065322515048
Energy: 0.9346340804808331
Energy: 0.976131591545248
Energy: 0.944114029878153
Energy: 1.0239996748866809
Energy: 0.9441140296510016
Energy: 0.9669318520574661
Energy: 1.015525367624784
Energy: 0.9644944596443694
Energy: 1.0155253676226466
Energy: 0.9630604514595275
Energy: 1.0599889257322834
Energy: 1.1595106782901246
Energy: 1.0599889257322834
Energy: 1.058013099470932
Energy: 0.9742583160314191
Energy: 0.9898210905689294
Energy: 0.9742583160307066
Energy: 0.9243127427685913
Energy: 1.0121729833670794
Energy: 1.0039494132247722
Energy: 1.0121729833677917
Energy: 0.4324575185060918
Energy: 0.9066346301726447
Energy: 1.0035367293101167
Energy: 0.9066346301726447
Energy: 0.9532342263484254
Energy: 0.8910544376352373
Energy: 0.9930850356169608
Energy: 0.8910544376352373
Energy: 0.9547973055159431
Energy: 0.9175163948836176
Energy: 0.9702340748724295
Energy: 0.91751639488433
Energy: 0.9457421487552372
Energy: 1.1888059714103345
Energy: 0.9756557475512954
Energy: 1.188805971411047
Energy: 0.7776504461995573
Energy: 0.4970444159752218
Energy: 0.97765425920971
Energy: 0.497044415933898
Energy: 1.0015269327849314
Energy: 0.8907071361829527
Energy: 0.9481416799419441
Energy: 0.8907071361822404

minimum gb energy = 0.3879880684851578 eV
minimum distance =  2.28878830881749 Angstroms
sigma value = 73


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

Energy: 0.9948546523527958
Energy: 0.902117730574036
Energy: 0.4042974565072949
Energy: 0.06163127255035008
Energy: 0.5186440030463179
Energy: 0.9537054786068884
Energy: 0.8725347611219625
Energy: 0.9537054785967148
Energy: 0.8490577654642165
Energy: 0.8316772320835214
Energy: 0.9149770229514593
Energy: 0.8316772321388856
Energy: -0.4637799875827113
Energy: -0.37173538277023627
Energy: 0.9096885711292368
Energy: -0.47724244284754375
Energy: -0.4662352601957134
Energy: -0.5062635829372406
Energy: 0.5340970452446709
Energy: -0.5384934033435774
Energy: -0.5324648771802023
Energy: 0.4787447916541387
Energy: 0.5796827143889814
Energy: 0.4787449292573514
Energy: 0.8077673386336196
Energy: 0.9093505670642348
Energy: 0.9391932653808472
Energy: 0.9093505671647896
Energy: 0.8890147275407909
Energy: 0.918822740374066
Energy: 0.9230033808251993
Energy: 0.9188227402452767
Energy: 0.922391735713867
Energy: 0.30515258953522395
Energy: 0.8358947217400081
Energy: 0.25926830732926914
Energy: 0.28630076498110885
Energy: 1.2401350081766318
Energy: 0.9159079430997693
Energy: 1.2401350081822835
Energy: 0.9272918006942537
Energy: 0.9207459183940382
Energy: 0.9828672322512619
Energy: 0.9207459182799185
Energy: 0.9823075224969815
Energy: 0.9121344660103801
Energy: 0.9485730329951678
Energy: 0.9121344660137711
Energy: 0.9049050731228722
Energy: 1.1368459647504658
Energy: 0.9461191365467047
Energy: 1.1368459647628744
Energy: 0.9040593449278282
Energy: 0.8642994084429354
Energy: 0.9628935615050707
Energy: 0.8643000729287336
Energy: 0.2960170439735335
Energy: 0.90612978372008
Energy: 0.8944963721383746
Energy: 0.9061297837223408
Energy: 0.5847275284755361
Energy: 0.9049046907081003
Energy: 0.15203372692119846
Energy: 0.904904696477414
Energy: 0.5280083934750469
Energy: 0.9928679567236914
Energy: 0.9115959438763257
Energy: 0.9928679569417571
Energy: 0.32623588874233933
Energy: 0.29414203756109514
Energy: 0.841480077082228
Energy: 0.27034635055087114
Energy: 0.4094356787453148
Energy: 0.8508763380392667
Energy: 1.0077173833271607
Energy: 0.8508754445782409
Energy: 0.37570471237884023
Energy: 0.19450720739729413
Energy: 0.8583932952770454
Energy: 0.19450556176984976
Energy: 0.3877694971828593
Energy: 0.3809262941090966
Energy: 0.884387575210793
Energy: 0.36919167403542974
Energy: 0.9727626799187078
Energy: 0.8457097671757732
Energy: 0.8854890877892089
Energy: 0.8457097631702538

minimum gb energy = -0.5384934033435774 eV
minimum distance =  2.29607196969933 Angstroms
sigma value = 7


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

Energy: 0.20965476704595085
Energy: 0.889910254201326
Energy: 1.026305963452951
Energy: 0.8004085099541738
Energy: 0.8761693347421539
Energy: 0.9769215565498817
Energy: 0.7824402675825415
Energy: 0.9769215565530791
Energy: 0.8171866624798648
Energy: 0.8152045038546228
Energy: 0.9180790910667809
Energy: 0.8152045038170912
Energy: 0.9036892220880418
Energy: 0.8513216558266262
Energy: 0.9938765147806308
Energy: 0.8513216576123033
Energy: 0.7977717573282824
Energy: 0.7738188840202476
Energy: 0.9444116513038511
Energy: 0.7738188840194482
Energy: 0.8313183409760552
Energy: 0.7308444615955384
Energy: 0.9468324683375159
Energy: 0.7308444615356258
Energy: 0.9413059711901755
Energy: 0.8047168467054914
Energy: 0.7097611337760851
Energy: 0.8047168466847091
Energy: 1.0055042279397282
Energy: 0.7334324883407164
Energy: 0.9118895606913742
Energy: 0.7334324883279274
Energy: 0.9625110909159615
Energy: 0.844182429458478
Energy: 0.8704958999115513
Energy: 0.844182429458478
Energy: 0.7487455732048995
Energy: 0.7056882411421666
Energy: 0.736158585320831
Energy: 0.7056882412060757
Energy: 0.8053063088838017
Energy: 0.8707840216068412
Energy: 0.7446094347557232
Energy: 0.8707840216052427
Energy: 0.8728696204673696
Energy: 0.8339542299720044
Energy: 1.0211209199817144
Energy: 0.8339542299240454
Energy: 0.8702937589097016
Energy: 0.814116415804605
Energy: 0.700444802414636
Energy: 0.8141164150304289
Energy: 0.8855961900763105
Energy: 0.9487113830318388
Energy: 0.9066730412539379
Energy: 0.9487113830286416
Energy: 0.7453742032748512
Energy: 0.8151274894061965
Energy: 0.892028498127155
Energy: 0.8151274894125912
Energy: 1.0892594477169781
Energy: 0.8000296468172315
Energy: 0.8535115381484387
Energy: 0.8000296468172315
Energy: 1.0798798955115207
Energy: 0.8681574372240624
Energy: 0.805510990561465
Energy: 0.8681574371976848
Energy: 0.7743202037138519
Energy: 0.68907599538002
Energy: 0.9078169652844801
Energy: 0.6890759953999667
Energy: 0.8818053135700832
Energy: 0.8426413525297302
Energy: 0.9794831659820276
Energy: 0.8426413525289308
Energy: 0.8704143626054145
Energy: 0.8557659651775185
Energy: 0.8408347019749369
Energy: 0.8557659651783178
Energy: 0.679720277716009
Energy: 0.8103971262419868
Energy: 0.938873516613554
Energy: 0.8103971254518243
Energy: 0.9959231181674314
Energy: 0.7534994772736692
Energy: 0.768804973014749
Energy: 0.753499477278465
Energy: 0.9893498327136653
Energy: 0.7601574205467007
Energy: 0.7780863207281505
Energy: 0.760157420549898
Energy: 0.9625411678730256
Energy: 0.8154134113825303
Energy: 0.8938387204104116
Energy: 0.8154134114057106
Energy: 0.7709296282037973
Energy: 0.7830434086677056
Energy: 0.8935261808272803
Energy: 0.7830434086828927
Energy: 0.9372863021805351
Energy: 0.9583776549914058
Energy: 0.6998726706513496
Energy: 0.9583776549362891
Energy: 0.822787284298052
Energy: 0.7605991094945481
Energy: 0.9743048470840456
Energy: 0.7605991094945481
Energy: 0.8308131013872786
Energy: 0.7869707771012997
Energy: 0.6303113947533636
Energy: 0.7869707771005003
Energy: 0.7308076360627078
Energy: 0.932745228013495
Energy: 0.8695982689890666
Energy: 0.9327452280118964
Energy: 0.7804252202713299
Energy: 0.7727067509865462
Energy: 0.9064613036633057
Energy: 0.7727067509290315
Energy: 1.0862848164615984
Energy: 0.8033297703879009
Energy: 0.869150584737039
Energy: 0.8033297704046866

minimum gb energy = 0.20965476704595085 eV
minimum distance =  2.28912938351518 Angstroms
sigma value = 29


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

Energy: 1.1697716743896018
Energy: 0.9129318104783933
Energy: 0.8582472199284484
Energy: 0.9407954755551627
Energy: 0.9054751309421512
Energy: 0.9678322606156851
Energy: 0.8632322782350951
Energy: 0.9678322605933799
Energy: 0.870278262714941
Energy: 0.9525039443848123
Energy: 1.0877497772450493
Energy: 0.9525039445611483
Energy: 0.9106207974462306
Energy: 0.8713075165947227
Energy: 0.8684562276881106
Energy: 0.8713075165653335
Energy: 0.8692693191851507
Energy: 0.8747836363690572
Energy: 0.909232097996474
Energy: 0.8747836364223911
Energy: 0.8718023820732157
Energy: 0.9592935662360904
Energy: 0.9101050790461264
Energy: 0.9592935662380085
Energy: 0.9187425759799916
Energy: 0.9561822872618505
Energy: 0.8656300195776687
Energy: 0.9561822872588808
Energy: 0.8631810585397719
Energy: 0.8628448185365174
Energy: 0.9084247970996998
Energy: 0.8628448182284864
Energy: 0.9049569095048656
Energy: 0.8709780040785473
Energy: 0.8646500178126463
Energy: 0.8709780031653126

minimum gb energy = 0.8582472199284484 eV
minimum distance =  2.32746301766803 Angstroms
sigma value = 5


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

Energy: 1.1901186422255408
Energy: 0.708765569565718
Energy: 0.974571174237017
Energy: -1.413665102841926
Energy: 0.7522943656682157
Energy: 0.7522707089175485
Energy: 0.9448502934264738
Energy: 0.752270708880551
Energy: 0.944960066216223
Energy: 0.7757351995535271
Energy: 0.9183825624674725
Energy: 0.7757351962463976
Energy: 0.8359793331108709
Energy: 0.7416596219017181
Energy: 0.9142018883874977
Energy: 0.7416596219024733
Energy: 0.739658615847455
Energy: 0.7196504451852228
Energy: 1.1781115282714896
Energy: 0.7196504452969018
Energy: 0.7619012402766081
Energy: 0.726800473752197
Energy: 0.9789502621160895
Energy: 0.7268004737559725
Energy: 0.7518751222373072
Energy: 0.7278179416780134
Energy: 0.8449630915526347
Energy: 0.7278179416749933
Energy: 0.7776942436272668
Energy: 0.9905320779460295
Energy: 1.1187048318168855
Energy: 0.9905320778720343
Energy: 0.905005861448476
Energy: 1.0192139913464342
Energy: 1.1610107170904456
Energy: 1.019213991347944
Energy: 1.0896842908593574
Energy: 0.7661449638832434
Energy: 0.7954886093440171
Energy: 0.7661449638817334
Energy: 0.9169361320625221
Energy: 0.7902116688998291
Energy: 0.8252531986442143
Energy: 0.7902116688915234
Energy: 1.184283710565405
Energy: 0.7745059598725522
Energy: 0.8139650327749384
Energy: 0.7745059603125417
Energy: 1.1714403839966283
Energy: 0.7807751471105233
Energy: 0.8839350374715612
Energy: 0.7807751471059929
Energy: 1.0584716977361712
Energy: 0.9932174425022641
Energy: 1.0723726307840784
Energy: 0.9932174424977336
Energy: 0.897038202438521
Energy: 0.9581665704220363
Energy: 1.0765928127201887
Energy: 0.9581665704258117
Energy: 0.8967384513553847
Energy: 0.8002931216979416
Energy: 0.6594383365186202
Energy: 0.8002931217009618
Energy: 0.7880742486577558
Energy: 0.7447288354327082
Energy: 1.1561754596148857
Energy: 0.7447288352749709
Energy: 1.0810762863576053
Energy: 0.7984071142898407
Energy: 0.6204050899467133
Energy: 0.7984071142860653
Energy: 1.0294611672132525
Energy: 0.799514834632613
Energy: 0.8406807213678226
Energy: 0.799514834633368
Energy: 1.0681707502541018
Energy: 0.7213119010087606
Energy: 0.825954166551038
Energy: 0.7213119010087606
Energy: 0.9800798972014032
Energy: 0.7421702061593793
Energy: 0.8137709577032233
Energy: 0.7421702061586243
Energy: 1.1757928017380808
Energy: 0.7191420267513957
Energy: 0.7501892894004428
Energy: 0.7191420258117674
Energy: 1.1343071348512648
Energy: 0.7361336504015031
Energy: 0.7633067917526367
Energy: 0.7361336504407657
Energy: 1.1320190696384924
Energy: 0.7524195103535815
Energy: 0.7793247780600623
Energy: 0.7524195103566016
Energy: 1.1535647832314253
Energy: 1.0009578306228304
Energy: 0.8132737961687123
Energy: 1.00095783061679
Energy: 0.7831443660815728
Energy: 0.7572706086891666
Energy: 1.0906334321577245
Energy: 0.7572706086831261
Energy: 0.8230132607770401
Energy: 0.7989147933732842
Energy: 0.7962980767903318
Energy: 0.798914793372529
Energy: 0.8073424937278015
Energy: 0.7782688902247168
Energy: 0.7932370029112294
Energy: 0.7782688902269819
Energy: -1.2376742020777118
Energy: 0.7753754098470411
Energy: 1.1699740951605162
Energy: 0.775375409845531
Energy: 1.075699388842623
Energy: 0.8590358257548659
Energy: 0.7979519486075716
Energy: 0.8590358257548659
Energy: 1.064364308122992
Energy: 0.7508908342408029
Energy: 0.7793914435868179
Energy: 0.7508908342392929
Energy: 0.8976556880725768
Energy: 0.7511798054194946
Energy: 0.7806138008345482
Energy: 0.75117980542327
Energy: -0.5952904518344094
Energy: 0.7213759299552596
Energy: 0.756334547710186
Energy: 0.7213759299529943

minimum gb energy = -1.413665102841926 eV
minimum distance =  2.26683048841745 Angstroms
sigma value = 1


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

Energy: 1.2452138781110489
Energy: 0.7259589968958428
Energy: 0.4951352283759306
Energy: 0.622478275140059
Energy: 0.5698749202676461
Energy: 0.660443368920857
Energy: 0.8838577913711891
Energy: 0.6604433689229451
Energy: 0.9284976773931088
Energy: 0.6793933175988346
Energy: 0.8607949378666655
Energy: 0.679393355533979
Energy: 0.6354821142398425
Energy: 0.6657056224498904
Energy: 0.8786032329457621
Energy: 0.6657056226523287
Energy: 0.606178331972447
Energy: 0.6657327024365649
Energy: 0.9211645831931342
Energy: 0.6657326979483781
Energy: 0.6630029864192101
Energy: 0.6270262766968213
Energy: 0.9332669494952516
Energy: 0.627026276279417
Energy: 0.659110945524922
Energy: 0.6621258274979758
Energy: 1.0981796124580152
Energy: 0.6621258144508194
Energy: 0.6681084822811624
Energy: 0.6538594568666628
Energy: 1.1699854869196795
Energy: 0.6538594569261226
Energy: 0.5497796668198672
Energy: 0.7894971099072164
Energy: 1.2005408153725525
Energy: 0.7894971099072164
Energy: 0.9083064634394928
Energy: 0.6516468360629193
Energy: 0.6631206764740988
Energy: 0.6516468354670883
Energy: 0.5985204805593516
Energy: 0.6252997588395921
Energy: 0.6449958858809761
Energy: 0.6252997588416801
Energy: 1.2822903075574024
Energy: 0.6381589181713943
Energy: 0.6614292128920205
Energy: 0.6381589181557347
Energy: 1.264007227064127
Energy: 0.6586487576517216
Energy: 0.6047469950795998
Energy: 0.6586487576830412
Energy: 0.9118964226468252
Energy: 0.6139681127184585
Energy: 0.8602806085519379
Energy: 0.6139681123396818
Energy: 0.6489769133090213
Energy: 0.6763514736113213
Energy: 0.8722276286323453
Energy: 0.6763514727775568
Energy: 0.6441731358823016
Energy: 0.8714906089043263
Energy: 0.8590917576584318
Energy: 0.8714715393234096
Energy: 0.6081365733155614
Energy: 0.6486088564174557
Energy: 0.910343066123584
Energy: 0.6486088564372914
Energy: 0.6736121150338035
Energy: 0.6710170067844575
Energy: 0.954099129919284
Energy: 0.6710170067531379
Energy: 0.66174580891073
Energy: 0.6666739817855832
Energy: 1.2039782116367057
Energy: 0.6666739817553551
Energy: 0.6386062930519544
Energy: 0.7587159880481567
Energy: 1.161607448243278
Energy: 0.7587159881045319
Energy: 0.9729174575644887
Energy: 0.6213450395339071
Energy: 0.5716304100606521
Energy: 0.6213450395359951
Energy: 0.9632796642005352
Energy: 0.6647860130103287
Energy: 0.666923864388133
Energy: 0.6647860129153736
Energy: 1.173718844833444
Energy: 0.6643952828063212
Energy: 0.6596046858651596
Energy: 0.6643952814695931
Energy: 1.2578822757977548
Energy: 0.637192183755337
Energy: 0.6499398506281027
Energy: 0.6371921842531281

minimum gb energy = 0.4951352283759306 eV
minimum distance =  2.30219256032323 Angstroms
sigma value = 17


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

Energy: 0.656860161658838
Energy: 0.6516982458460027
Energy: 0.8779501232703139
Energy: 0.5792599263302829
Energy: 0.8302010929342608
Energy: 0.6147220385585153
Energy: 0.83581134230908
Energy: 0.614722038560451
Energy: 1.0568679220227988
Energy: 0.6214470624953539
Energy: 0.8348022060001856
Energy: 0.6214470624953539
Energy: 1.0432719624479236
Energy: 0.7272415468868142
Energy: 0.8019318964541093
Energy: 0.7272415468874595
Energy: 0.870675392947191
Energy: 0.651612098449092
Energy: 0.8936364828339028
Energy: 0.651612098449092
Energy: 0.6931839916116712
Energy: 0.6522824157335942
Energy: 0.45755120816561234
Energy: 0.6522824157355301
Energy: 0.6955396426192156
Energy: 0.6508103890692459
Energy: 0.6334487893785211
Energy: 0.6508103890698913
Energy: 0.6979160918995784
Energy: 0.6401683086057347
Energy: 0.4630847214339643
Energy: 0.64016830860638
Energy: 0.8040825956020264
Energy: 0.6568914378064981
Energy: 0.4518793010930275
Energy: 0.6568914378064981
Energy: 0.8533487377616081
Energy: 0.7242492593472802
Energy: 0.8198252060278735
Energy: 0.7242492593479255
Energy: -0.02854104193623201
Energy: 0.624355614656349
Energy: 0.6457991107965457
Energy: 0.624355614660866
Energy: 0.6583132791466098
Energy: 0.6126054374815995
Energy: 0.8088614064907973
Energy: 0.6126054374080393
Energy: 0.5783800805443805
Energy: 0.6065597397021686
Energy: 0.6489753175119009
Energy: 0.6065597397021686
Energy: 0.5041458050084443
Energy: 0.6215440406474587
Energy: 0.6582691249072986
Energy: 0.6215440406493946
Energy: 1.0670919019782021
Energy: 0.6130954330837741
Energy: 0.6673403434797903
Energy: 0.6130954333307937
Energy: 0.5247137496389409
Energy: 0.6232763715479996
Energy: 0.5086435285504294
Energy: 0.6232763715512258
Energy: 0.6642173661508046
Energy: 0.615336245489183
Energy: 0.668982730448489
Energy: 0.615336245489183
Energy: 0.6601552073894945
Energy: 0.6127899072682653
Energy: 0.46986546645105
Energy: 0.6127899072708463
Energy: 0.6770737310510483
Energy: 0.5897480772403947
Energy: 0.6153883361427348
Energy: 0.589748098136453
Energy: -0.5940592148840536
Energy: 0.5719235571265232
Energy: 0.5745092633942708
Energy: 0.5719235572542272
Energy: 0.826818429225029
Energy: 0.6124609361937725
Energy: 0.8341399589601965
Energy: 0.6124609361944178
Energy: 0.8371363511272211
Energy: 0.7792741187995398
Energy: 1.0581647616458492
Energy: 0.779274118800185
Energy: 0.5016496531390265
Energy: 0.7295330421212112
Energy: 1.0505986926765047
Energy: 0.7295330421237922
Energy: 0.8763141245566208
Energy: 0.6490371052931732
Energy: 0.8332899422404654
Energy: 0.6490371052918826
Energy: 0.48820342312262516
Energy: 0.6533678733947542
Energy: 0.6947744357306189
Energy: 0.6533678733947542
Energy: 0.6226001672235226
Energy: 0.6829535273446242
Energy: 0.7534624946786894
Energy: 0.6829535273439791
Energy: 0.4739918289397969
Energy: 0.6331821425908658
Energy: 0.6855566819494503
Energy: 0.6331821425902205
Energy: 0.4875101584630139
Energy: 0.7264099339851997
Energy: 0.9908651311516201
Energy: 0.7264099339851997
Energy: 0.8225835199465864
Energy: 0.7075465323006489
Energy: 0.8637269829772443
Energy: 0.7075465323025848
Energy: 0.6401376314171139
Energy: 0.5917904382661319
Energy: -0.00912168040609956
Energy: 0.5917904382635507
Energy: 0.8055609506309612
Energy: 0.6140740300268744
Energy: 0.6733428353862455
Energy: 0.6140740300262291
Energy: 0.6561026511994517
Energy: 0.6133931392524891
Energy: 0.6588068425707786
Energy: 0.6133931392544248
Energy: 0.6588942131203598
Energy: 0.6189094622887406
Energy: 0.4716217433442371
Energy: 0.6189094622880953
Energy: 0.6640123697302244
Energy: 0.6123328781908358
Energy: 1.0648048674896513
Energy: 0.6123328781895453
Energy: 0.5968340803511434
Energy: 0.6259895028557119
Energy: 0.6090458599885551
Energy: 0.6259895028576478
Energy: 0.6194299346831569
Energy: 0.6055490742817042
Energy: 0.6668579576809263
Energy: 0.6055490742829948
Energy: 0.49446409223231014
Energy: 0.6103723317406099
Energy: 0.6661347113612405
Energy: 0.6103723317399647
Energy: 0.5885839074506944
Energy: 0.5993615469767716
Energy: 0.6708000670534636
Energy: 0.5993615468729425

minimum gb energy = -0.5940592148840536 eV
minimum distance =  2.29616139080504 Angstroms
sigma value = 89


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

Energy: 1.4787228055772699
Energy: 0.4805161100630322
Energy: 0.358916431083113
Energy: 0.3368670552031644
Energy: 0.47508562649173275
Energy: 0.50587699425195
Energy: 0.3727778559777377
Energy: 0.5058769943262373
Energy: 0.5013993554856446
Energy: 0.47055488364694464
Energy: 0.23498347687980223
Energy: 0.4704137408594481
Energy: 0.524155894992505
Energy: 0.48748038306706726
Energy: 0.35482958253485186
Energy: 0.4874803766828462
Energy: 0.33370303793010336
Energy: 0.41777824840410727
Energy: 0.5093398998188733
Energy: 0.41777827087280206
Energy: 0.42242548117111933
Energy: 0.42371072588744374
Energy: 0.5353743754750164
Energy: 0.423710684519338
Energy: 0.39424200057560227
Energy: 0.39641547775416935
Energy: 0.3760459271631564
Energy: 0.396415477757546
Energy: 0.36774548688868075
Energy: 0.32625884311908165
Energy: 0.38978261228485195
Energy: 0.3251278207818606
Energy: 0.3809107126009766
Energy: 0.34042922816798415
Energy: 0.39223219205748105
Energy: 0.3480219601750177
Energy: 0.25175807015725016
Energy: 0.4977238405462878
Energy: 0.35787516325153507
Energy: 0.49772423631354634
Energy: 0.3571814411538204
Energy: 0.42380950984529253
Energy: 0.46862196472565215
Energy: 0.42978714096543624
Energy: 0.5315061255629315
Energy: 0.34629946893882785
Energy: 0.3620419950472171
Energy: 0.3458299608680462
Energy: 0.48979328106424475
Energy: 0.44294652989257566
Energy: 0.41072339584358575
Energy: 0.44294653047820226
Energy: 0.3082994334356342
Energy: 0.4317606839902142
Energy: 0.351090309886291
Energy: 0.43181292333322335
Energy: 0.38748116345591016
Energy: 0.38369012055031765
Energy: 0.39318702341475065
Energy: 0.3731337137841246

minimum gb energy = 0.23498347687980223 eV
minimum distance =  2.30683667931618 Angstroms
sigma value = 13


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

Energy: 0.7380797597112895
Energy: 0.2596009787919913
Energy: 0.20808090251572545
Energy: 0.1995557863591302
Energy: 0.7624917564469226
Energy: 0.24991271107140922
Energy: 0.3781887838797452
Energy: 0.24991271105442564
Energy: -0.4193642360695849
Energy: 0.25048268373800825
Energy: 0.35469695976125626
Energy: 0.2504826837266859
Energy: 0.7454871470036993
Energy: 0.26919659376248073
Energy: 0.2766365636478285
Energy: 0.26919659375823485
Energy: 0.38918693669003485
Energy: 0.26840988945601835
Energy: 0.6677736878169477
Energy: 0.2684098894538954
Energy: 0.380137403820231
Energy: 0.264806752797606
Energy: 0.7184153887617933
Energy: 0.26480675280114424
Energy: 0.3507871950699746
Energy: 0.24339924290984408
Energy: -0.4654164816949906
Energy: 0.2433992429084288
Energy: 0.3830777909090504
Energy: 0.1793519258809037
Energy: 0.6847351546155068
Energy: 0.17935192589364135
Energy: 0.04432453480094101
Energy: 0.24040663054895683
Energy: 0.8029454953414319
Energy: 0.24040663058433925
Energy: 0.08853202437044205
Energy: 0.2444985862901661
Energy: 0.3186999496618864
Energy: 0.24449858629441198
Energy: 0.1268803819354199
Energy: 0.1821757893440505
Energy: 0.7048637286511391
Energy: 0.18217578948268537
Energy: 0.4080349503515671
Energy: -0.45279935774509844
Energy: 0.27319183049072127
Energy: -0.45279935765104545
Energy: 0.4706687601436873
Energy: -0.4355610741595854
Energy: 0.3653470320892204
Energy: -0.435561073307962
Energy: 0.3701204749620406
Energy: -0.43279885744282964
Energy: 0.5030031747178622
Energy: -0.4327988571252239
Energy: 0.5915785350602325
Energy: 0.24969256158327371
Energy: 0.4060064525644292
Energy: 0.24969256157690486
Energy: 0.6003347903200942
Energy: 0.24778359560364283
Energy: 0.1201035598619459
Energy: 0.24778359559656632
Energy: 0.5558575076530611
Energy: 0.257164360404173
Energy: 0.20085122061195423
Energy: 0.2571643604084189
Energy: 0.7917481762724733
Energy: 0.21800877772583818
Energy: 0.09771826077917967
Energy: 0.21800877770177812
Energy: 0.7092790750609579
Energy: 0.2690954650501623
Energy: 0.3671730926797957
Energy: 0.2690954650515776
Energy: 0.3343272383704309
Energy: 0.24233800170732628
Energy: 0.279010255132516
Energy: 0.24233800171864867
Energy: 0.9005171352418696
Energy: 0.3941616858555676
Energy: 0.35448141058223376
Energy: 0.39416168584495287
Energy: 0.32357217306806163
Energy: 0.2674094616087965
Energy: 0.6886052113184113
Energy: 0.26740946159676643
Energy: 0.3839591837771677
Energy: 0.25789921804873506
Energy: 0.6659749199097781
Energy: 0.2578992180409509
Energy: 0.24124038305432585
Energy: 0.20250714382918064
Energy: 0.39657331644626403
Energy: 0.2025071438461642
Energy: 0.35660492859402193
Energy: 0.2057038870574888
Energy: 0.7569521521894667
Energy: 0.2057038870560735
Energy: 0.06324260882296656
Energy: 0.24607994853240767
Energy: 0.7779449049899542
Energy: 0.24607994849207168
Energy: 0.09955244566484145
Energy: 0.2253362307917842
Energy: 0.22297520313994348
Energy: 0.22533623074514372
Energy: 0.06590386771100086
Energy: 0.18868297876525175
Energy: 0.7818802332942848
Energy: 0.18868296886826572
Energy: -0.2814782832697676
Energy: 0.24184209424112774
Energy: 0.49757446191895177
Energy: 0.24184209422414413
Energy: 0.5337964844626515
Energy: -0.4418502753230985
Energy: 0.36839239837001553
Energy: -0.4418502752474444
Energy: 0.42807693038663513
Energy: -0.38439427522492975
Energy: 0.4961425807369357
Energy: -0.38439427625057054
Energy: 0.5901442320946211
Energy: 0.24723668633042425
Energy: 0.34619422290904994
Energy: 0.24723668633679308
Energy: 0.5756635483735897
Energy: 0.24691922273368855
Energy: 0.10652400105065726
Energy: 0.2469192227400574
Energy: 0.5646456150511272
Energy: 0.2733950049940541
Energy: 0.1759205131550147
Energy: 0.2733950049975924
Energy: 0.6328003477791545
Energy: 0.24652259695664971
Energy: 0.11686968588615493
Energy: 0.24652259695877266

minimum gb energy = -0.4654164816949906 eV
minimum distance =  2.27340289044329 Angstroms
sigma value = 37


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

Energy: 1.164913716683926
Energy: 0.2327480142776079
Energy: -0.3323259168241289
Energy: -0.2634478117086004
Energy: 0.7610466898083962
Energy: -0.12523275766405487
Energy: -0.018458965454467822
Energy: -0.11755430725704984
Energy: 0.7400818419377572
Energy: -0.10033753582310455
Energy: 0.06275866680098714
Energy: -0.10033743017160421
Energy: 0.8994534380262431
Energy: -0.1184043365410425
Energy: -0.12797667022747258
Energy: -0.11195108905215383
Energy: -0.014642886802544263
Energy: -0.028713126228094493
Energy: 0.8178972581954166
Energy: 0.04025109294156971
Energy: 0.015781163900312308
Energy: -0.001721269766192945
Energy: 0.8099327781135044
Energy: -0.041373691974584174
Energy: 0.33310353216190186
Energy: 0.0935010557401589
Energy: 0.6411965843176136
Energy: -0.003379860731364187
Energy: 0.10902326178446953
Energy: 0.11311760129797423
Energy: 1.2448511974095644
Energy: 0.11313409865634813
Energy: 0.20119857671622082
Energy: 0.06870602363043325
Energy: 1.142078442762366
Energy: 0.06870602281629525
Energy: 0.1449151160370574
Energy: 0.034300000370110904
Energy: 0.6459565096392319
Energy: 0.04657724173632025
Energy: -0.24146043828695912
Energy: -0.35059790031018445
Energy: 1.030233807930953
Energy: -0.33689971458611145
Energy: -0.21539737647617563
Energy: 0.10090464360041362
Energy: 0.657563881607422
Energy: 0.0028876279638363127
Energy: -0.15146379900111104
Energy: -0.0749010299516717
Energy: 0.7616007268648014
Energy: 0.010115481472513973
Energy: -0.07109158175806665
Energy: -0.17959873786290356
Energy: 0.9255731891734453
Energy: -0.03901026844985569
Energy: 0.8178972608909569
Energy: -0.3326509696972518
Energy: 0.6838987636514299
Energy: -0.3121664450636493
Energy: 0.8099327780952421
Energy: -0.3303756277868078
Energy: -0.17728118496430212
Energy: -0.2481408313744857
Energy: -0.09588466998336251
Energy: -0.00796496972193952
Energy: 0.20454270027859414
Energy: -0.2699029384414692
Energy: 1.2448470978241468
Energy: -0.0580753785335596
Energy: -0.2548618855979126
Energy: -0.058075374229223035
Energy: 1.1110261628331732
Energy: -0.07605690279003653
Energy: 0.02070379436805299
Energy: -0.10252869540166162
Energy: 0.028724815142209408
Energy: -0.23216794207621794
Energy: -0.0849110566203205
Energy: -0.19545787296224357

minimum gb energy = -0.35059790031018445 eV
minimum distance =  2.31234318909064 Angstroms
sigma value = 25


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

Energy: 1.1071467967053115
Energy: 0.06836580162998075
Energy: -0.37665506881975147
Energy: -0.3210039077059543
Energy: 0.06257071885280589
Energy: -0.42364152925584975
Energy: -0.22692230948458605
Energy: -0.423641529198808
Energy: 0.16545459053870074
Energy: -0.4892150689104003
Energy: -0.22481143067620424
Energy: -0.489217099580939
Energy: 0.6840398461576682
Energy: -0.4362738070970109
Energy: -0.4656866920811233
Energy: -0.43627380724052284
Energy: -0.09445723607959164
Energy: -0.7621538902093221
Energy: -0.3058241878634786
Energy: -0.7621538914057302
Energy: -0.36654952941759805
Energy: -0.7680870896998596
Energy: -0.33324832211888844
Energy: -0.768087097836092
Energy: -0.3380807248881352
Energy: -0.5971589473595599
Energy: -0.18515110796502582
Energy: -0.597158947462192
Energy: 0.018077077312347686
Energy: -0.24221975696882078
Energy: -0.07535537750680361
Energy: -0.24221974051006281
Energy: -0.3875164372224058
Energy: -0.29390704394795913
Energy: -0.19277109953281168
Energy: -0.2939070302193419
Energy: -0.3154519020619468
Energy: -0.6757790335369294
Energy: 0.16596725128995493
Energy: -0.6757790335502392
Energy: -0.24195761384040226
Energy: -0.1816194531484857
Energy: 1.0042352014299782
Energy: -0.18161945425462095
Energy: -0.6275585725387726
Energy: -0.7488165369779002
Energy: -0.026493448188809568
Energy: -0.748816533954124
Energy: -0.30432437083172326
Energy: -0.2784917198817243
Energy: -0.09406090680692994
Energy: -0.2784917197781416
Energy: -0.41301849837269233
Energy: -0.23351506564484611
Energy: 0.831450684646443
Energy: -0.2335150656534024
Energy: -0.48856856404408194
Energy: -0.2897898107613016
Energy: 0.03339871306952004
Energy: -0.2897899381807155
Energy: -0.48519926826451715
Energy: -0.7108535080245956
Energy: -0.03931019422985266
Energy: -0.7108534901813212
Energy: -0.31236902198258987
Energy: -0.22241652513525983
Energy: 0.007966938054723097
Energy: -0.22241642964316843
Energy: 0.22220331289058678
Energy: -0.8456334770130616
Energy: -0.3328326741825446
Energy: -0.8456334766215475
Energy: -0.03618446237685519
Energy: -0.7583728862345923
Energy: -0.3801714146167201
Energy: -0.8655389425474774
Energy: -0.1769438708032234
Energy: -0.7577077675449131
Energy: -0.357675587538385
Energy: -0.7578372253001416
Energy: -0.007901630082111342
Energy: -0.2928421939162568
Energy: -0.355127793407434
Energy: -0.29284219357798186
Energy: -0.1304739410649623
Energy: -0.41422714587355347
Energy: -0.12286852663788728
Energy: -0.4142272345825991
Energy: 0.061249960093855645
Energy: -0.3060574666396788
Energy: -0.3465534636616599
Energy: -0.3060574666434816
Energy: 0.9990846083750535
Energy: -0.3211686327073527
Energy: -0.5446641360075282
Energy: -0.3211686327092541
Energy: -0.1268230862849825
Energy: -0.45850738460674645
Energy: -0.2668263245184565
Energy: -0.4585074074617896
Energy: 0.30384701361407085
Energy: -0.4260303413510955
Energy: -0.45483018297253924
Energy: -0.4260303244894584

minimum gb energy = -0.8655389425474774 eV
minimum distance =  2.27467320162783 Angstroms
sigma value = 41


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

Energy: -0.11819116692598244
Energy: -0.18055102038083656
Energy: -0.750916071351869
Energy: -0.8751658364748955
Energy: 0.22460107810782404
Energy: -0.8348699509576115
Energy: -0.688447309284481
Energy: -0.8348699730527555
Energy: -0.02354782930432278
Energy: -0.8121854211747783
Energy: -0.6460551437475089
Energy: -0.8121854209636276
Energy: -0.14529618193662938
Energy: -0.8061993972701873
Energy: -0.5602287807099121
Energy: -0.8061993972584962
Energy: -0.7847321871370359
Energy: -0.7406013956126749
Energy: -0.5958499053534155
Energy: -0.7406013903524021
Energy: -0.3011154961288616
Energy: -0.8968429234458847
Energy: -0.48464503536262715
Energy: -0.8968396925247775
Energy: -0.3845785950074427
Energy: -0.5685638297592049
Energy: -0.40605290229075885
Energy: -0.5685638297560873
Energy: -0.26790969185371916
Energy: -0.4908959578897839
Energy: -0.27021009061473317
Energy: -0.4908959582481022
Energy: -0.388449954733349
Energy: -0.6601066079141352
Energy: -0.07582488004727547
Energy: -0.66010702958914
Energy: -0.39192115856395754
Energy: -1.079810158470023
Energy: 0.012614578787140809
Energy: -1.07981015947972
Energy: -0.8283241800056622
Energy: -0.8530292208310507
Energy: -0.25330606784671544
Energy: -0.8530292208100064
Energy: -0.6953207779653301
Energy: -0.7979938914922436
Energy: 0.11415474775789701
Energy: -0.7979938915234202
Energy: -0.5089855534818921
Energy: -0.8178412716012308
Energy: 0.21904954778968352
Energy: -0.8178412716027896
Energy: -0.8747268379925827
Energy: -0.8646806225921889
Energy: 0.12439937265861846
Energy: -0.8646806225641299
Energy: -0.879334264188725
Energy: -0.9698276032278771
Energy: 0.17304692099425809
Energy: -0.9698276032247594
Energy: -0.8535666386155961
Energy: -0.8200876164093374
Energy: 0.09217042869965571
Energy: -0.8200876164077785
Energy: -0.874518845585799
Energy: -0.8726814646382084
Energy: -0.006478655778200976
Energy: -0.8726814646382084
Energy: -0.6602318412606054
Energy: -0.8994390385658719
Energy: 0.1530056945046055
Energy: -0.8994390385230748
Energy: -0.6427615664425115
Energy: -0.8121491329995465
Energy: -0.07543662920421883
Energy: -0.812149133004223
Energy: -0.312834143997097
Energy: -0.8196324202879238
Energy: 0.0019639718971569634
Energy: -0.8196324202871443
Energy: -0.6593055033700442
Energy: -0.6835832226891436
Energy: -0.09433637962283105
Energy: -0.6835832227616293
Energy: -0.540432573810136
Energy: -0.5705662020262483
Energy: -0.37459155157176516
Energy: -0.570566202020013
Energy: -0.28856253506264695
Energy: -0.8070231543635455
Energy: -0.27437587467863317
Energy: -0.8070231543510749
Energy: -0.2614794992067701
Energy: -0.645092132743665
Energy: -0.6942835535617322
Energy: -0.6450921326961206
Energy: -0.035620703110777155
Energy: -0.8292395227053841
Energy: -0.44160688988505864
Energy: -0.8292395222683449
Energy: -0.05527868353270193
Energy: -0.8005412405639373
Energy: -0.6436473671554515
Energy: -0.8005412405358784
Energy: -0.1473499496744514
Energy: -0.8075083845340986
Energy: -0.6625373850296766
Energy: -0.8075083845286426
Energy: 0.120797702008729
Energy: -0.8497689422245694
Energy: -0.6619959128923937
Energy: -0.8497689424513084
Energy: 0.1271391964335923
Energy: -0.8259722339664718
Energy: -0.6869770420562745
Energy: -0.8259722339742661
Energy: 0.13311999289889614
Energy: -0.8095152070823218
Energy: -0.8625699418632704
Energy: -0.8095152070753071
Energy: 0.1749296773699883
Energy: -0.8048619279524651
Energy: -0.8114254921034739
Energy: -0.8048619279220679
Energy: 0.11713544592276152
Energy: -0.8774027330818747
Energy: -0.9389105811041367
Energy: -0.877402733082654

minimum gb energy = -1.07981015947972 eV
minimum distance =  2.26201433804028 Angstroms
sigma value = 15


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

Energy: -0.3484295520699315
Energy: -0.37184493473472424
Energy: -1.4969856786705433
Energy: -1.6695670287367679
Energy: -0.14131301327048348
Energy: -1.3121003328631167
Energy: -1.2130903644728799
Energy: -1.3121003375965021
Energy: -0.5118697241529488
Energy: -1.588303824383115
Energy: -1.301568562059825
Energy: -1.5883038225464121
Energy: -0.6466359281929205
Energy: -0.3055888049394962
Energy: -1.2240284079142039
Energy: -0.3055888049408167
Energy: -0.348226808167153
Energy: -1.6413878492143437
Energy: -1.2021996907476185
Energy: -1.6413878493186072
Energy: -0.6852001949193673
Energy: -1.664625343127983
Energy: -1.2042486179104712
Energy: -1.6646253875810006
Energy: -0.7278483018043599
Energy: -1.7213414428966785
Energy: -1.3066780812066823
Energy: -1.721341440831581
Energy: -0.5234246230775735
Energy: -1.3399114773209042
Energy: -0.9715518254555588
Energy: -1.3399114773176026
Energy: -0.9467050911477446
Energy: -1.5101262142766945
Energy: -0.5591855173569238
Energy: -1.5101250131422648
Energy: -1.054720345022552
Energy: -1.4613143997933404
Energy: -0.3728294019762188
Energy: -1.461314399999226
Energy: -1.1166872273959274
Energy: -0.3703088469723587
Energy: -0.8052169875978168
Energy: -0.3703088488942367
Energy: -0.9501079468936012
Energy: -1.391239772797486
Energy: -0.4035642291363099
Energy: -1.3912400093749162
Energy: -1.2764024660456679
Energy: -1.4252850987091346
Energy: -0.6879113019332228
Energy: -1.42528509879425
Energy: -1.2646150092725514
Energy: -1.2756683513001195
Energy: -0.576951669168813
Energy: -1.275668350882346
Energy: -1.2919282552019336
Energy: -1.3821859366117097
Energy: -0.090413214257191
Energy: -1.3821859374175445
Energy: -1.273591932138542
Energy: -1.3135871555485772
Energy: -0.4147305119893237
Energy: -1.3135871555142427
Energy: -1.3263704663341125
Energy: -1.3400728342296597
Energy: -0.5139051252668758
Energy: -1.340072834228339
Energy: -1.4302005193288079
Energy: -1.5307432588506737
Energy: -0.3244718958211412
Energy: -1.530743250715796
Energy: -1.4728841516887095
Energy: -1.4475562364094798
Energy: -0.49773855168780196
Energy: -1.447556236415422
Energy: -1.3653514988041113
Energy: -1.333102862000476
Energy: -0.17378867469763007
Energy: -1.333102862003117
Energy: -1.44398259371913
Energy: -1.3132269292352747
Energy: -0.09213101534129099
Energy: -1.3132269294082066
Energy: -1.2651481369313187
Energy: -1.544667261694775
Energy: -0.6468162206591137
Energy: -1.544667261702038
Energy: -1.1053563957721875
Energy: -1.4363756557973542
Energy: -0.5705113179743718
Energy: -1.4363756557999954
Energy: -1.2041451547168656
Energy: -1.6844072380552928
Energy: -0.43063126657093975
Energy: -1.6844072387496012
Energy: -1.2902949549060538
Energy: -1.7416784294125203
Energy: -0.812938022717742
Energy: -1.7416784294296874
Energy: -0.7708090635587918
Energy: -1.0090620234826844
Energy: -0.5246937074294945
Energy: -1.009062023556575
Energy: -0.97010224632164
Energy: -1.233095779104684
Energy: -0.5547554776545889
Energy: -1.2330957791073252
Energy: -0.9719302529791664
Energy: -1.5297148809898877
Energy: -1.0102051581787914
Energy: -1.5297148810684003
Energy: -0.8038741332189745
Energy: -1.2964917136183718
Energy: -0.74511573174692
Energy: -1.2964916525008148
Energy: -0.8229723550484916
Energy: -1.502965733097715
Energy: -1.1633984479182116
Energy: -1.5029657373657872
Energy: -0.10882600478694282
Energy: -1.4321263629634473
Energy: -1.0028585178653269
Energy: -1.432126363080916
Energy: -0.6694486983356313
Energy: -1.2848711494167235
Energy: -1.0871276727175312
Energy: -1.284871149651001
Energy: -0.35990362138166504
Energy: -1.5724851216011808
Energy: -1.3799621554947987
Energy: -1.5724851215899562
Energy: -0.3020285059544204
Energy: -1.3483309438223305
Energy: -1.1031075668757493
Energy: -1.3483309438045032
Energy: -0.4229488334467028
Energy: -0.3253011071481279
Energy: -1.2627623460272868
Energy: -0.3253011071487882
Energy: -0.40084573642719923
Energy: -1.1944886096452356
Energy: -1.2611328317447985
Energy: -1.1944886096478768
Energy: -0.47149295669401653
Energy: -1.2720762922343047
Energy: -1.1974293114976553
Energy: -1.2720762922323239

minimum gb energy = -1.7416784294296874 eV
minimum distance =  2.25134933693763 Angstroms
sigma value = 85


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

Energy: 0.5854740658874658
Energy: -0.7255561338841798
Energy: -0.921829839306567
Energy: -0.9603393223989871
Energy: 0.27397223051445424
Energy: -1.010541735411809
Energy: -0.835511542728951
Energy: -1.0105417358279483
Energy: -0.08240151961249399
Energy: -1.032975243994875
Energy: -0.823643723764807
Energy: -1.0329752461648283
Energy: 0.019417618022135503
Energy: -0.7305949467922597
Energy: -0.4686785376976393
Energy: -0.7305949465873265
Energy: -0.19157236685704546
Energy: -0.8516313949369172
Energy: -0.6285850416649239
Energy: -0.8516313949294727
Energy: -0.14344976740002674
Energy: -0.878511285970779
Energy: -0.6160308448550617
Energy: -0.8785112859867872
Energy: -0.20185041944609514
Energy: -0.778707317716689
Energy: -0.6733229305460089
Energy: -0.7787073179284679
Energy: -0.3048654824300342
Energy: -0.9864942700529659
Energy: 0.011580533177684333
Energy: -0.9864942717501389
Energy: -0.42163780121183037
Energy: -0.7601342383574724
Energy: -0.5101767124799166
Energy: -0.7601342382550188
Energy: -0.3785303856275924
Energy: -0.9547169025944108
Energy: 0.1361259740965881
Energy: -0.9547169027209159
Energy: -0.6028938513753374
Energy: -0.8827598756358898
Energy: -0.31084794091548296
Energy: -0.8827598717790452
Energy: -0.48926944710528697
Energy: -0.9163975510408751
Energy: 0.008599239113507889
Energy: -0.9163975510013878
Energy: -0.5910571350166112
Energy: -0.7525531137397348
Energy: -0.2223597371775028
Energy: -0.7525531137385895
Energy: -0.7555946366353968
Energy: -0.7755782885535256
Energy: 0.38517764403180954
Energy: -0.7755783083271881
Energy: -0.29398170038628396
Energy: -0.8714632281041704
Energy: 0.33562855786711565
Energy: -0.8714632278374164
Energy: -0.627102311992312
Energy: -0.8068694323318698
Energy: -0.015559286145040414
Energy: -0.8068694323267159
Energy: -0.7207301699735454
Energy: -0.8011621903408156
Energy: -0.009056017994473937
Energy: -0.8011621905119619
Energy: -0.8090855728872826
Energy: -0.8620525348608802
Energy: -0.11239407355569035
Energy: -0.8620525345180149
Energy: -0.255784127566796
Energy: -0.6527616008140672
Energy: 0.20345983904241183
Energy: -0.6527616008232296
Energy: -0.8017363848511466
Energy: -0.6530941602008874
Energy: 0.2183221635249345
Energy: -0.6530941602008874
Energy: -0.9959601209830495
Energy: -0.8037773566159117
Energy: -0.09277096527427013
Energy: -0.8037773565747064
Energy: -0.8413935152940283
Energy: -0.6433509829579415
Energy: 0.14668842198549065
Energy: -0.6433509828268551
Energy: -0.6323050057033089
Energy: -0.6513280556880459
Energy: 0.30260246539086183
Energy: -0.651328055674302
Energy: -0.8015830879693044
Energy: -1.0300634497848826
Energy: 0.25873102301973394
Energy: -1.0300634503315358
Energy: -0.5308539111533018
Energy: -0.8384719584747766
Energy: 0.11463353189998049
Energy: -0.8381076999261878
Energy: -0.5658724399965573
Energy: -0.877425291710951
Energy: -0.1625498118914062
Energy: -0.8774252917166777
Energy: -0.6208487727562017
Energy: -1.0201320925620179
Energy: 0.21532992309952556
Energy: -1.0201320869971198
Energy: -0.6229719448111102
Energy: -0.7975301875476786
Energy: -0.17323836288673533
Energy: -0.7975301882912217
Energy: -0.6013328546657527
Energy: -0.7887128517464229
Energy: -0.3380143240293596
Energy: -0.7887128546868603
Energy: -0.5580499832446422
Energy: -0.654826500557617
Energy: -0.3004233201296133
Energy: -0.6548268993952258
Energy: 0.14563634928676883
Energy: -0.8482301986318342
Energy: 0.14315703019412335
Energy: -0.8482355285677013
Energy: -0.2972663163326693
Energy: -0.8467655673678488
Energy: 0.15165728089183558
Energy: -0.8467655986227365
Energy: 0.044951317232005975
Energy: -0.7602374137931472
Energy: -0.5262797798471209
Energy: -0.7602374137381982
Energy: -0.2737545314810497
Energy: -0.7675996673172623
Energy: -0.43699005524419093
Energy: -0.7675996634844432
Energy: 0.3034492109412728
Energy: -0.9016849764243575
Energy: -0.3305101671974663
Energy: -0.9016849771908069
Energy: 0.3598400172417762
Energy: -0.9601443781856891
Energy: -0.6327899527611915
Energy: -0.9601443780752182
Energy: 0.11437132497090616
Energy: -0.8792854135343438
Energy: -0.596070068442254
Energy: -0.8792854135074291
Energy: -0.025520624280964868
Energy: -0.7252793585205916
Energy: -0.7140911402388431
Energy: -0.7252793584759504
Energy: -0.06874804716179933
Energy: -1.0890231424700878
Energy: -0.7941744464716256
Energy: -1.0890231433962305
Energy: 0.19420506646053268
Energy: -0.655487217410689
Energy: -0.56020633970216
Energy: -0.655487217372347
Energy: 0.2985738870170891
Energy: -0.6447519758103214
Energy: -0.6560671616427298
Energy: -0.6447519758103214
Energy: -0.1822554040864763
Energy: -0.7681346453931561
Energy: -0.9557407807189952
Energy: -0.7681346453931561
Energy: 0.1177065980910164
Energy: -0.6428171375467989
Energy: -0.7038297799092875
Energy: -0.6428171375851671

minimum gb energy = -1.0890231433962305 eV
minimum distance =  2.25030544978963 Angstroms
sigma value = 113


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

Energy: 0.018174705277703873
Energy: 0.018989296913305816
Energy: 1.3315932686779492
Energy: 0.39761998183345537
Energy: -3.3707374536163854
Energy: -3.3006129751443845
Energy: -2.0441524265072393
Energy: -3.2526980080306003
Energy: -3.0888137258859496
Energy: -3.69526322515607
Energy: -2.095808246693886
Energy: -3.289747426944248
Energy: 0.01920351893444426
Energy: -3.630634336004636
Energy: -1.993303282368648
Energy: -3.5471105739261817
Energy: -1.9637560631714883
Energy: -3.4925755679948116
Energy: -2.0807849370851494
Energy: -3.4243745429201993
Energy: -3.3588412827132728
Energy: -3.639021490013893
Energy: -2.1007398651486255
Energy: -3.6590933904982883

minimum gb energy = -3.69526322515607 eV
minimum distance =  2.42612965726214 Angstroms
sigma value = 1