Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.025435209274292
cohesive_energy=3.381271244149137
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.010542731019599084
Energy: 0.011099027299185542
Energy: 0.011214876440557766
Energy: 0.011099027299185542
Energy: 0.011099027299185542
Energy: 0.33862619646574865
Energy: 0.011099027299185542
Energy: 0.33862619646574865
Energy: 0.011214876438084798
Energy: 0.011099027299691375
Energy: 0.010542731019599084
Energy: 0.011099027299185542
Energy: 0.011099027299185542
Energy: 0.33862619646574865
Energy: 0.011099027299185542
Energy: 0.33862619646574865

minimum gb energy = 0.010542731019599084 eV
minimum distance =  2.76043719526289 Angstroms
sigma value = 1


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

Energy: 0.5337848653924638
Energy: 0.5387526068214911
Energy: 0.5473966158520103
Energy: 0.5387526068214911
Energy: 0.538845199373839
Energy: 0.5465397241368879
Energy: 0.5213003330001597
Energy: 0.5465397241368879
Energy: 0.5023078524145493
Energy: 0.5284188627626846
Energy: 0.5219305549225414
Energy: 0.5284188627626846
Energy: 0.51614910321166
Energy: 0.5526085310057951
Energy: 0.5100459492955259
Energy: 0.5526085310057951
Energy: 0.5182720538448014
Energy: 0.5402103755552671
Energy: 0.5258783393793954
Energy: 0.5402103755552671
Energy: 0.5138204315239905
Energy: 0.5942164625241809
Energy: 0.4902797686823474
Energy: 0.5942164625235674
Energy: 0.5423760455637978
Energy: 0.5297661244943561
Energy: 0.5150044222994938
Energy: 0.5297661244943561
Energy: 0.5007980108508919
Energy: 0.5398068174756017
Energy: 0.4908192360332686
Energy: 0.5398068174749882
Energy: 0.5106662656935731
Energy: 0.5238519855805351
Energy: 0.5532185254386244
Energy: 0.5238519855811486
Energy: 0.4872270372282269
Energy: 0.5282846119096628
Energy: 0.4996738416412973
Energy: 0.5282846119096628
Energy: 0.5201998084038834
Energy: 0.5454722806947232
Energy: 0.5104724274905613
Energy: 0.5454722806947232
Energy: 0.5425182706876664
Energy: 0.5396290842352004
Energy: 0.4943632293985803
Energy: 0.5396290842352004
Energy: 0.5205259445047813
Energy: 0.5294593096799278
Energy: 0.5421213438822764
Energy: 0.5294593096811548
Energy: 0.5229175857161902
Energy: 0.5361130737464361
Energy: 0.5038759867753413
Energy: 0.5361130737464361
Energy: 0.536925399076234
Energy: 0.5401781832324462
Energy: 0.5203577596244128
Energy: 0.5401781832324462
Energy: 0.5361112623067892
Energy: 0.5398096477781053
Energy: 0.5275016646777804
Energy: 0.5398096477781053
Energy: 0.5220466212426529
Energy: 0.5286419795724557
Energy: 0.5087148104450804
Energy: 0.5286419795724557
Energy: 0.5215259870564712
Energy: 0.5447790704849073
Energy: 0.5415722968864418
Energy: 0.5447790704849073
Energy: 0.4973893180815621
Energy: 0.5401357059024987
Energy: 0.49439895035850906
Energy: 0.5401357059024987
Energy: 0.5392617530287376
Energy: 0.5226974894264533
Energy: 0.5124684736408124
Energy: 0.5226974894270668
Energy: 0.48850355040714477
Energy: 0.528505940721704
Energy: 0.49658056807773493
Energy: 0.528505940721704
Energy: 0.5102996559508467
Energy: 0.5296111641143699
Energy: 0.5326746751818413
Energy: 0.5296111640181113
Energy: 0.5583046071670011
Energy: 0.5401449451654157
Energy: 0.5085530248678866
Energy: 0.5401449451654157
Energy: 0.550582783341671
Energy: 0.5289590360514749
Energy: 0.5140714588400362
Energy: 0.5289590360520883
Energy: 0.5147935395092551
Energy: 0.5939244986410116
Energy: 0.5758287112180595
Energy: 0.593924498641625
Energy: 0.5185995240222806
Energy: 0.5396250130868606
Energy: 0.5083274109912097
Energy: 0.5396250130874741
Energy: 0.5203303663814596
Energy: 0.5573344336091145
Energy: 0.5104503982084226
Energy: 0.5573344336091145
Energy: 0.510134216162297
Energy: 0.5279308626974832
Energy: 0.5212951142534038
Energy: 0.5279308626980967
Energy: 0.5388657222112703
Energy: 0.5464959607827105
Energy: 0.5190537001103843
Energy: 0.5464959607827105
Energy: 0.5334885642942307
Energy: 0.5393081637526234
Energy: 0.5417967023984533
Energy: 0.5393081637526234
Energy: 0.5409491988153761
Energy: 0.5530572812591069
Energy: 0.5203068831995016
Energy: 0.5530572812603338
Energy: 0.5201349003277275
Energy: 0.5289524846561512
Energy: 0.5232314815152268
Energy: 0.5289524846561512
Energy: 0.5181404275886409
Energy: 0.5557711932808559
Energy: 0.5108325381625614
Energy: 0.5557711932808559

minimum gb energy = 0.4872270372282269 eV
minimum distance =  2.53174390468848 Angstroms
sigma value = 1


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

Energy: 0.5548988761515083
Energy: 0.5746277323033925
Energy: 0.5700145323544781
Energy: 0.5746277323033925
Energy: 0.5437166774630461
Energy: 0.5705236697349176
Energy: 0.5519116125047303
Energy: 0.570523669735617
Energy: 0.5402099098211766
Energy: 0.5752156421710857
Energy: 0.5315161124697153
Energy: 0.5752156421710857
Energy: 0.5066527534573753
Energy: 0.5246048123598233
Energy: 0.5232401119757782
Energy: 0.5246048123591238
Energy: 0.506375416144458
Energy: 0.5580059888719789
Energy: 0.5782452163735682
Energy: 0.55800598887058
Energy: 0.5641840831360196
Energy: 0.5585480162630757
Energy: 0.5775740935334237
Energy: 0.5585480162637753
Energy: 0.5430070156035671
Energy: 0.5244378713039166
Energy: 0.525127450949059
Energy: 0.5244378713039166
Energy: 0.5133466459450156
Energy: 0.5755617987285626
Energy: 0.5100614959611933
Energy: 0.5755617987278631
Energy: 0.5116757707563303
Energy: 0.5485120135959465
Energy: 0.5355516068422219
Energy: 0.5485120135973455
Energy: 0.5052308545800231
Energy: 0.5766330459530791
Energy: 0.570396468936176
Energy: 0.5766330459537785
Energy: 0.5425683708462499
Energy: 0.5547897942753226
Energy: 0.5286123099954888
Energy: 0.554789794274623
Energy: 0.512617173014415
Energy: 0.5660320516261506
Energy: 0.5308340198153587
Energy: 0.5660320516254511
Energy: 0.5455887119351891
Energy: 0.5580058169844374
Energy: 0.5414526434087814
Energy: 0.5580058169837381
Energy: 0.5452359128494924
Energy: 0.5579826764260408
Energy: 0.5415291572770806
Energy: 0.5579826764267402
Energy: 0.5128083449272383
Energy: 0.566044560660563
Energy: 0.5325167155293296
Energy: 0.5660445606612625
Energy: 0.5426543627088375
Energy: 0.5550499723638403
Energy: 0.5250798661264552
Energy: 0.5550499723631409
Energy: 0.5052721735242192
Energy: 0.5765865588707514
Energy: 0.5140415613691492
Energy: 0.5765865588707514
Energy: 0.511648202457296
Energy: 0.5441246352437051
Energy: 0.5357773987677608
Energy: 0.5441246352444046
Energy: 0.5132516247287642
Energy: 0.5756384846494126
Energy: 0.5110020161886951
Energy: 0.575638484650112
Energy: 0.5428145930099252
Energy: 0.5245878253144498
Energy: 0.5229594114249093
Energy: 0.5245878253137504
Energy: 0.5655298302162102
Energy: 0.558451654071413
Energy: 0.5066855745735115
Energy: 0.5584516540707134
Energy: 0.5062472419323385
Energy: 0.558121421882789
Energy: 0.5413488377316603
Energy: 0.558121421882789
Energy: 0.506446872074002
Energy: 0.5245840511865136
Energy: 0.5251690205337746
Energy: 0.5245840511858141
Energy: 0.5402760152028651
Energy: 0.5751578092609887
Energy: 0.5320581499628091
Energy: 0.5751578092609887
Energy: 0.54369843893772
Energy: 0.5704499759471843
Energy: 0.5519234140359943
Energy: 0.5704499759478837
Energy: 0.5548988761515083
Energy: 0.5746277323033925
Energy: 0.5700145323537785
Energy: 0.5746277323033925
Energy: 0.5437166774630461
Energy: 0.5705236697349176
Energy: 0.5519116125047303
Energy: 0.570523669735617
Energy: 0.5402099098211766
Energy: 0.5752156421710857
Energy: 0.5315161124697153
Energy: 0.575215642171785
Energy: 0.5066527534580746
Energy: 0.5246048123605227
Energy: 0.5232401119757782
Energy: 0.5246048123598233

minimum gb energy = 0.5052308545800231 eV
minimum distance =  2.53656837516129 Angstroms
sigma value = 25


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

Energy: 0.5454380438556075
Energy: 0.5893743032754512
Energy: 0.5918990401556214
Energy: 0.5893743032754512
Energy: 0.5676731002835909
Energy: 0.5698503881328051
Energy: 0.5282527862198925
Energy: 0.5698503881328051
Energy: 0.5625588204103801
Energy: 0.6187416054346074
Energy: 0.5285283728610609
Energy: 0.6187416054346074
Energy: 0.5306948150912584
Energy: 0.542209208623576
Energy: 0.5348210399916598
Energy: 0.542209208623576
Energy: 0.5340093385543655
Energy: 0.5926161111203164
Energy: 0.5652771929139988
Energy: 0.5926161111203164
Energy: 0.5896144129331504
Energy: 0.6178638478328241
Energy: 0.6108041978033185
Energy: 0.6178638478328241
Energy: 0.5682257074910185
Energy: 0.5294976622097777
Energy: 0.5512840782870301
Energy: 0.5294976622097777
Energy: 0.6528567914836811
Energy: 0.5915081444171858
Energy: 0.5328764559605675
Energy: 0.5915081444171858
Energy: 0.5512159654089871
Energy: 0.5639648644167022
Energy: 0.568013933062862
Energy: 0.5639648644167022
Energy: 0.526808668715249
Energy: 0.547569238197781
Energy: 0.5285162200370516
Energy: 0.5475858061952746
Energy: 0.5605388528061259
Energy: 0.592295651240805
Energy: 0.5279799208201034
Energy: 0.592295651240805
Energy: 0.5369022072886745
Energy: 0.5909601718182573
Energy: 0.5276517550833216
Energy: 0.5909601718182573
Energy: 0.5284118774933483
Energy: 0.5749873903630609
Energy: 0.529304250503078
Energy: 0.5749873903622477
Energy: 0.5523559948461321
Energy: 0.5270107352817928
Energy: 0.5668950034616186
Energy: 0.5270107352817928
Energy: 0.5642511220304592
Energy: 0.592802404766931
Energy: 0.531535680716067
Energy: 0.592802404766931
Energy: 0.5279913360510963
Energy: 0.5321768504342657
Energy: 0.5329450427637467
Energy: 0.5321768504342657
Energy: 0.5265782790369495
Energy: 0.6191112359161318
Energy: 0.5260849317091019
Energy: 0.6191112359161318
Energy: 0.5346754622420052
Energy: 0.5747307936027607
Energy: 0.5631313395980014
Energy: 0.5747307936019476
Energy: 0.5265851676653884
Energy: 0.5414495259822099
Energy: 0.5337846929113859
Energy: 0.5414495259765366
Energy: 0.5690458824874288
Energy: 0.6182775409394639
Energy: 0.5310284010995463
Energy: 0.6182775409394639
Energy: 0.5374630390194732
Energy: 0.5626808893040721
Energy: 0.5285918034923368
Energy: 0.5626808893048851
Energy: 0.5451184995676285
Energy: 0.590103093809109
Energy: 0.5928491117425297
Energy: 0.590103093809109
Energy: 0.5690097721237821
Energy: 0.5846552839239142
Energy: 0.5280491958361527
Energy: 0.5846552839239142
Energy: 0.533203486903905
Energy: 0.6153411271138336
Energy: 0.5267755668466522
Energy: 0.6153411271138336
Energy: 0.5277647996475291
Energy: 0.5395142471890274
Energy: 0.5333949667780492
Energy: 0.5395142471890274

minimum gb energy = 0.5260849317091019 eV
minimum distance =  2.5443064680527 Angstroms
sigma value = 9


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

Energy: 0.5539170597417108
Energy: 0.5539567733663338
Energy: 0.6249483547486643
Energy: 0.5539567733673038
Energy: 0.5622302149715416
Energy: 0.5890832306839003
Energy: 0.5534892000026398
Energy: 0.5890832306839003
Energy: 0.581964768878323
Energy: 0.5553475861342071
Energy: 0.5430711839856515
Energy: 0.555347586135177
Energy: 0.55541070422287
Energy: 0.6031321164850653
Energy: 0.5456405742248329
Energy: 0.6031321153962651
Energy: 0.6230157119426016
Energy: 0.5873669035181985
Energy: 0.5452091900248036
Energy: 0.5873669035181985
Energy: 0.5337387328852345
Energy: 0.5553854154089564
Energy: 0.5947840868345656
Energy: 0.5553854154089564
Energy: 0.5560514531171082
Energy: 0.5456072141796885
Energy: 0.5460983256843897
Energy: 0.5456072141796885
Energy: 0.6118604598248579
Energy: 0.5552335526933891
Energy: 0.5442077433728029
Energy: 0.5552335526933891
Energy: 0.554784281952342
Energy: 0.5895659880299351
Energy: 0.5890009190288081
Energy: 0.5895659880299351
Energy: 0.5551129561762426
Energy: 0.55511499752684
Energy: 0.549992403132165
Energy: 0.55511499752684
Energy: 0.5428798159487761
Energy: 0.5855035412053384
Energy: 0.550036162460779
Energy: 0.5855035412053384
Energy: 0.5554137644521906
Energy: 0.5547047282227473
Energy: 0.5458042391521365
Energy: 0.5547047282227473
Energy: 0.5334587827408455
Energy: 0.555549329609741
Energy: 0.5486561942816729
Energy: 0.555549329609741
Energy: 0.580712381211843
Energy: 0.5546413078874237
Energy: 0.5548043809252321
Energy: 0.5546413078883937
Energy: 0.5334774049618219
Energy: 0.5554185446718143
Energy: 0.6117268471744157
Energy: 0.5554185446718143
Energy: 0.5553533503366092
Energy: 0.5545641699465917
Energy: 0.5458291503933352
Energy: 0.5545641699446519
Energy: 0.5427866571179638
Energy: 0.5853991973813825
Energy: 0.5430868088378896
Energy: 0.5853991973813825
Energy: 0.5548723367396248
Energy: 0.5551330012242066
Energy: 0.5500411301755763
Energy: 0.5551330012232366
Energy: 0.554848220696798
Energy: 0.5895010747383364
Energy: 0.5450872986686285
Energy: 0.5895010747373665
Energy: 0.6118743512236771
Energy: 0.5550801834905325
Energy: 0.5442819427654111
Energy: 0.5550801834895623
Energy: 0.5560616904302167
Energy: 0.5456606972389325
Energy: 0.5453911021863076
Energy: 0.5456606972389325

minimum gb energy = 0.5334587827408455 eV
minimum distance =  2.65472809534329 Angstroms
sigma value = 25


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

Energy: 0.5498092796307259
Energy: 0.6272271897033216
Energy: 0.6278788558064987
Energy: 0.6272271897033216
Energy: 0.535948101007076
Energy: 0.5981984679382877
Energy: 0.5327016177545072
Energy: 0.5981984679346891
Energy: 0.5327221711624492
Energy: 0.6301280243772266
Energy: 0.5355907094408847
Energy: 0.6301280243760269
Energy: 0.5513140293809123
Energy: 0.5987421637042207
Energy: 0.6296019574018629
Energy: 0.598742163703021
Energy: 0.628405860134169
Energy: 0.5374559207987442
Energy: 0.5653400574902404
Energy: 0.5374559207999438
Energy: 0.5326076890622997
Energy: 0.6342905290039854
Energy: 0.5332702306284238
Energy: 0.6342905290027858
Energy: 0.5461429673475061
Energy: 0.5960552782252274
Energy: 0.5330661022091553
Energy: 0.5960552782252274
Energy: 0.6249156015437615
Energy: 0.56240724128766
Energy: 0.5519648484034069
Energy: 0.56240724128766
Energy: 0.535664137120488
Energy: 0.5635282113484552
Energy: 0.5377660534288277
Energy: 0.5635282113484552
Energy: 0.645667409678322
Energy: 0.6115915227722445
Energy: 0.5326639465880904
Energy: 0.6115915227722445
Energy: 0.5917653257659191
Energy: 0.6229617456890646
Energy: 0.7206446498353232
Energy: 0.6229617456890646
Energy: 0.5330706644677128
Energy: 0.5733937662082099
Energy: 0.645027467249229
Energy: 0.5733937662082099
Energy: 0.6274470347147585
Energy: 0.5772957203381806
Energy: 0.5317098121053005
Energy: 0.5772957203381806
Energy: 0.5330195549832902
Energy: 0.5867755314831814
Energy: 0.5512913284111981
Energy: 0.5867755314831814
Energy: 0.5328927310293307
Energy: 0.5867629704820833
Energy: 0.6248173212583469
Energy: 0.5867629704820833
Energy: 0.5389886012825231
Energy: 0.573866233664326
Energy: 0.5325324650884293
Energy: 0.5738662336631263
Energy: 0.534350620189941
Energy: 0.5760845236658131
Energy: 0.6443572235525586
Energy: 0.5760845236658131

minimum gb energy = 0.5317098121053005 eV
minimum distance =  2.6343926717636 Angstroms
sigma value = 17


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

Energy: 0.5720209734617636
Energy: 0.572884166242479
Energy: 0.7328650926997713
Energy: 0.572884166242479
Energy: 0.6208176124687428
Energy: 0.5891734205561318
Energy: 0.5402711500536985
Energy: 0.5891734205568111
Energy: 0.6327813563063392
Energy: 0.5852310289456527
Energy: 0.5396656261080409
Energy: 0.5852310289456527
Energy: 0.539369508627296
Energy: 0.5916839255726138
Energy: 0.591950758571752
Energy: 0.5916839255726138
Energy: 0.6480856961334492
Energy: 0.5781380497752177
Energy: 0.5493249404427379
Energy: 0.5781380497989959
Energy: 0.5463077877173038
Energy: 0.5790803457991168
Energy: 0.6388376911610395
Energy: 0.5790803457984374
Energy: 0.5406518073970946
Energy: 0.588443536180618
Energy: 0.5404635349153774
Energy: 0.588443536180618
Energy: 0.6350921818841372
Energy: 0.5663478861789839
Energy: 0.5475716322817379
Energy: 0.5663478861789839
Energy: 0.5472624254322003
Energy: 0.6202992040171145
Energy: 0.6489667055853791
Energy: 0.6202992040171145
Energy: 0.7028549400959164
Energy: 0.5746060024347458
Energy: 0.5420703813268524
Energy: 0.5746060024347458
Energy: 0.5400620382802884
Energy: 0.59094292410497
Energy: 0.634414825343609
Energy: 0.5909429240948102
Energy: 0.5483321876615681
Energy: 0.5881022254936107
Energy: 0.5484631569667294
Energy: 0.58810222549429
Energy: 0.6195087448306721
Energy: 0.5729372931232039
Energy: 0.5747414650317865
Energy: 0.5729372931232039
Energy: 0.5416944214856128
Energy: 0.6381157824919036
Energy: 0.6208793808128417
Energy: 0.6381157824919036
Energy: 0.5973959414501958
Energy: 0.5894626777537395
Energy: 0.5475894585091556
Energy: 0.5894626777537395
Energy: 0.6370465936581046
Energy: 0.5904648467130421
Energy: 0.6348269799663748
Energy: 0.5904648467123627
Energy: 0.5416347663154072
Energy: 0.601324910203258
Energy: 0.6872571813167433
Energy: 0.601324910203258
Energy: 0.668622483400495
Energy: 0.5688372957645159
Energy: 0.5464171991112707
Energy: 0.5688372957645159
Energy: 0.5732057056275193
Energy: 0.6008667614228753
Energy: 0.5719655620580962
Energy: 0.6008667614228753
Energy: 0.5404906063214484
Energy: 0.5920081283684974
Energy: 0.5398778418657019
Energy: 0.5920081283684974
Energy: 0.5889086446150632
Energy: 0.5849471734285039
Energy: 0.6321832663466507
Energy: 0.5849471734285039
Energy: 0.5397681353899038
Energy: 0.6521067159868228
Energy: 0.7027765911521949
Energy: 0.6521067159875021
Energy: 0.6492436784334086
Energy: 0.5910135275547395
Energy: 0.5396987373314207
Energy: 0.5910135275547395
Energy: 0.5464760156185163
Energy: 0.6018463902752131
Energy: 0.6166549513589342
Energy: 0.6018463902752131
Energy: 0.5760487214864014
Energy: 0.5848105841536085
Energy: 0.6165192080151544
Energy: 0.5848105841536085
Energy: 0.6493518172268181
Energy: 0.590861876808865
Energy: 0.5393478554595728
Energy: 0.590861876808865
Energy: 0.5495262361153943
Energy: 0.6613714360327656
Energy: 0.7149213851419376
Energy: 0.6613714360327656
Energy: 0.6205457728635629
Energy: 0.5800323087458471
Energy: 0.6330732155866353
Energy: 0.5800323087458471
Energy: 0.6637541010617638
Energy: 0.5914078333092465
Energy: 0.5405943233618236
Energy: 0.5914078333106052
Energy: 0.5474305406185435
Energy: 0.6001768543422898
Energy: 0.6662162085946768
Energy: 0.6001768543429693

minimum gb energy = 0.5393478554595728 eV
minimum distance =  2.5159147461528 Angstroms
sigma value = 53


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

Energy: 0.49386112174061064
Energy: 0.49419328504962906
Energy: 0.6238917980980413
Energy: 0.49419328504962906
Energy: 0.6289028837818853
Energy: 0.5441655661686519
Energy: 0.5045140651380172
Energy: 0.5441655661686519
Energy: 0.4947974191771082
Energy: 0.4939566262560498
Energy: 0.6233510705480506
Energy: 0.4939566262560498
Energy: 0.4948213663726453
Energy: 0.49394567036254894
Energy: 0.5075720616768022
Energy: 0.49394567036254894
Energy: 0.6289067784363253
Energy: 0.5441476985266107
Energy: 0.5873267806934551
Energy: 0.5441476985266107
Energy: 0.49386112174061064
Energy: 0.49419328504962906
Energy: 0.7015143443319782
Energy: 0.49419328504962906
Energy: 0.6289028837818853
Energy: 0.5441655661670878
Energy: 0.5045140651380172
Energy: 0.5441655661686519
Energy: 0.4947974191771082
Energy: 0.4939566262560498
Energy: 0.6233510705480506
Energy: 0.4939566262560498
Energy: 0.4948213663726453
Energy: 0.49394567036254894
Energy: 0.5697232136535535
Energy: 0.49394567036254894
Energy: 0.6289067784363253
Energy: 0.5441476985266107
Energy: 0.5873267806934551
Energy: 0.5441476985266107
Energy: 0.49386112174061064
Energy: 0.49419328504962906
Energy: 0.7398715231100639
Energy: 0.49419328504962906
Energy: 0.6289028837818853
Energy: 0.5441655661686519
Energy: 0.5828943606513795
Energy: 0.5441655661686519
Energy: 0.4947974191771082
Energy: 0.4939566262560498
Energy: 0.6233510705480506
Energy: 0.4939566262560498

minimum gb energy = 0.49386112174061064 eV
minimum distance =  2.59783849061409 Angstroms
sigma value = 9


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

Energy: 0.5577145455312895
Energy: 0.6792155837656013
Energy: 0.7880884196943845
Energy: 0.6792155837656013
Energy: 0.6871107297160356
Energy: 0.5888097341615739
Energy: 0.5631094983006782
Energy: 0.588809734160995
Energy: 0.5644676094850589
Energy: 0.5517186304039728
Energy: 0.5627366161071075
Energy: 0.5517186304039728
Energy: 0.6508737132598118
Energy: 0.670178421139624
Energy: 0.56418637401749
Energy: 0.670178421139624
Energy: 0.6488525157345895
Energy: 0.5813078459002269
Energy: 0.5672393823417637
Energy: 0.5813078459002269
Energy: 0.550525492827752
Energy: 0.5508850862982839
Energy: 0.6621628531474234
Energy: 0.5508850862988628
Energy: 0.765002199931717
Energy: 0.5793246844892109
Energy: 0.5701879964828617
Energy: 0.5793246844892109
Energy: 0.5672823820373667
Energy: 0.6628637739013992
Energy: 0.6458850993334168
Energy: 0.6628637739013992
Energy: 0.56536812558593
Energy: 0.6063797251260549
Energy: 0.5562392231817829
Energy: 0.6063797251260549
Energy: 0.5651387844000951
Energy: 0.5849007313364125
Energy: 0.5652880535152398
Energy: 0.5849007313364125
Energy: 0.5675135543179872
Energy: 0.6019971388792956
Energy: 0.7717672172343503
Energy: 0.6019971388792956
Energy: 0.6479065822249511
Energy: 0.64970307182944
Energy: 0.5683525355983869
Energy: 0.6497030718305978
Energy: 0.5659923694575907
Energy: 0.6241612307971304
Energy: 0.7070021124672347
Energy: 0.6241612307971304
Energy: 0.653114151659767
Energy: 0.6653125477242076
Energy: 0.5601768405478386
Energy: 0.6653125477242076
Energy: 0.568367022581975
Energy: 0.625717128292399
Energy: 0.6443085963826557
Energy: 0.625717128292399
Energy: 0.5674332756294455
Energy: 0.6610773255143549
Energy: 0.6553701320906221
Energy: 0.6610773255143549
Energy: 0.6057253583618903
Energy: 0.6260390978622343
Energy: 0.5680788781658351
Energy: 0.6260390978622343
Energy: 0.5686832974031684
Energy: 0.5792169399952835
Energy: 0.6627327113162792
Energy: 0.5792169399952835
Energy: 0.6367521378105151
Energy: 0.6268807120767249
Energy: 0.5516576416156114
Energy: 0.626880712076146
Energy: 0.5669272374794433
Energy: 0.592756303813585
Energy: 0.6068180233067498
Energy: 0.592756303813585
Energy: 0.6538702589047682
Energy: 0.656839988352329
Energy: 0.649272324457524
Energy: 0.6568399883529079
Energy: 0.6215603622274357
Energy: 0.6251794708071197
Energy: 0.5654415671518482
Energy: 0.6251794708088565
Energy: 0.5562772052853548
Energy: 0.6263158782259629
Energy: 0.5666211765816088
Energy: 0.6263158782259629
Energy: 0.7662171774041976
Energy: 0.6283383978712113
Energy: 0.5665458076217577
Energy: 0.6283383978706324
Energy: 0.5680946653002127
Energy: 0.6602668921524627
Energy: 0.7138983039293052
Energy: 0.6602668921530417
Energy: 0.6104956083592279
Energy: 0.5868521185291281
Energy: 0.5646064168602182
Energy: 0.5868521185285493
Energy: 0.6047349428378155
Energy: 0.5948621688501302
Energy: 0.6499553158197992
Energy: 0.5948621688495513
Energy: 0.5659777502747354
Energy: 0.6730834690671215
Energy: 0.6505553698279986
Energy: 0.6730834690671215
Energy: 0.6013991069031124
Energy: 0.5513747222617784
Energy: 0.5646086131614877
Energy: 0.5513747222623572
Energy: 0.5692142556844063
Energy: 0.6608810441486953
Energy: 0.7043849720703622
Energy: 0.6608810441486953
Energy: 0.7274775394420353
Energy: 0.6295978385029136
Energy: 0.5661527907647651
Energy: 0.6295978385029136
Energy: 0.5602314912047696
Energy: 0.5800733788920095
Energy: 0.5656515424271357
Energy: 0.5800733788914306
Energy: 0.5631920871449544
Energy: 0.6226652445220046
Energy: 0.5648002914203277
Energy: 0.6226652445220046
Energy: 0.6498331934408975
Energy: 0.6569332146931133
Energy: 0.6513085917457782
Energy: 0.6569332146931133
Energy: 0.5679154255216947
Energy: 0.654019820181595
Energy: 0.76606904759156
Energy: 0.654019820181595

minimum gb energy = 0.550525492827752 eV
minimum distance =  2.54676328353477 Angstroms
sigma value = 73


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

Energy: 0.550777766226822
Energy: 0.5514215109507782
Energy: 0.7743812966212791
Energy: 0.5514215109507782
Energy: 0.5674226622348939
Energy: 0.6021303872893206
Energy: 0.5560034518685749
Energy: 0.6021303872902389
Energy: 0.5744077367600665
Energy: 0.6092355853730432
Energy: 0.5561962477113787
Energy: 0.6092355853730432
Energy: 0.57387563006973
Energy: 0.6018586565089187
Energy: 0.5510298055593658
Energy: 0.6018586565089187
Energy: 0.573469130975592
Energy: 0.5914307330790238
Energy: 0.5606938087210974
Energy: 0.5914307330790238
Energy: 0.5736645570963661
Energy: 0.5626181053664219
Energy: 0.7625573831946248
Energy: 0.562618105364585
Energy: 0.7358474351237098
Energy: 0.6903171704133096
Energy: 0.574679366146854
Energy: 0.6903171704133096
Energy: 0.5748149258228182
Energy: 0.5510089729577159
Energy: 0.7313698438795407
Energy: 0.5510089729577159
Energy: 0.7246887804379947
Energy: 0.5519154087836279
Energy: 0.55482648823525
Energy: 0.5519154087845463
Energy: 0.5741024069377756
Energy: 0.597893990455775
Energy: 0.5507156851815592
Energy: 0.597893990455775
Energy: 0.5691174685011399
Energy: 0.6088282297748455
Energy: 0.7299361620064195
Energy: 0.6088282297748455
Energy: 0.6299710828203772
Energy: 0.6067093470862852
Energy: 0.5732542789812725
Energy: 0.6067093470862852
Energy: 0.573917297396728
Energy: 0.5910214184580808
Energy: 0.6062731343821464
Energy: 0.5910214184580808
Energy: 0.7756745051633614
Energy: 0.5918502282445465
Energy: 0.5773267956174547
Energy: 0.5918502282445465
Energy: 0.5560066571729463
Energy: 0.5844526838554229
Energy: 0.6311016514679463
Energy: 0.5844526838545046
Energy: 0.7377875813243148
Energy: 0.6091777491988107
Energy: 0.5740744235048889
Energy: 0.6091777492006477
Energy: 0.5518486686928191
Energy: 0.5529868289438958
Energy: 0.5743592052865075
Energy: 0.5529868289438958
Energy: 0.558437024454873
Energy: 0.552147231253409
Energy: 0.5741697539543983
Energy: 0.552147231253409
Energy: 0.5517523856316804
Energy: 0.5510815255292264
Energy: 0.5750616321274585
Energy: 0.5510815255292264
Energy: 0.5746727892853978
Energy: 0.5857350254447383
Energy: 0.7467609896326917
Energy: 0.5857350254447383
Energy: 0.7740985662255067
Energy: 0.5630882493424288
Energy: 0.5772728945619184
Energy: 0.5630882493424288
Energy: 0.5563938935198711
Energy: 0.5934462399725222
Energy: 0.6222668662895058
Energy: 0.5934462399725222

minimum gb energy = 0.5507156851815592 eV
minimum distance =  2.54824713083401 Angstroms
sigma value = 7


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

Energy: 0.5694524203451556
Energy: 0.5704164710998936
Energy: 0.7920173694902841
Energy: 0.5704164711011925
Energy: 0.7288255842392947
Energy: 0.5927914044796507
Energy: 0.5662386170517044
Energy: 0.5927914044783519
Energy: 0.569458161243921
Energy: 0.5703315105410365
Energy: 0.573810467563041
Energy: 0.5703315105351917
Energy: 0.5949491525249397
Energy: 0.6060725352760289
Energy: 0.566196599663852
Energy: 0.6060725352760289
Energy: 0.5684869970285107
Energy: 0.5979360101905882
Energy: 0.5718722928487615
Energy: 0.5979360101912377
Energy: 0.570135966131304
Energy: 0.6193541225503583
Energy: 0.7092615872406244
Energy: 0.6193541225503583
Energy: 0.6320628375854095
Energy: 0.6347090732928097
Energy: 0.5867053030242164
Energy: 0.6347090732902121
Energy: 0.570065879130981
Energy: 0.5716979421281958
Energy: 0.7437764433031514
Energy: 0.5716979421288452
Energy: 0.6381578620577584
Energy: 0.5994548106157989
Energy: 0.5734183009890977
Energy: 0.5994548106157989
Energy: 0.5660027370794255
Energy: 0.6125444612249352
Energy: 0.6249027040946742
Energy: 0.6125444612249352
Energy: 0.5846534205516475
Energy: 0.6521825615450497
Energy: 0.5942571493249548
Energy: 0.6521825615450497
Energy: 0.5707542398886565
Energy: 0.5981003170918746
Energy: 0.5996089630547267
Energy: 0.5981003170918746
Energy: 0.5771797565269732
Energy: 0.5717924953040223
Energy: 0.5973059536877966
Energy: 0.5717924953040223
Energy: 0.5743957264967577
Energy: 0.5680459217601097
Energy: 0.5874563859762205
Energy: 0.5680459217588107
Energy: 0.5634248909564243
Energy: 0.6660136904754742
Energy: 0.6505819241987337
Energy: 0.6660136904748247
Energy: 0.7934280489251317
Energy: 0.5671356742071464
Energy: 0.5740520752320232
Energy: 0.5671356742071464
Energy: 0.5635725536149954
Energy: 0.5979954192251096
Energy: 0.654527162987118
Energy: 0.5979954192244602
Energy: 0.5719781190355129
Energy: 0.5996477636779357
Energy: 0.5874633748309409
Energy: 0.5996477636824817
Energy: 0.5636896749628009
Energy: 0.6193105894105251
Energy: 0.5882400372575871
Energy: 0.6193105894105251
Energy: 0.5648691688654002
Energy: 0.6003348977639735
Energy: 0.5677246383228483
Energy: 0.600334897764623
Energy: 0.5850032279586656
Energy: 0.5815154938457939
Energy: 0.5734980360232341
Energy: 0.5815154938451444
Energy: 0.5691640837980714
Energy: 0.5700593831988091
Energy: 0.6276995204070783
Energy: 0.5700593831988091
Energy: 0.704030341110207
Energy: 0.5996910781838367
Energy: 0.5770395945750253
Energy: 0.5996910781838367
Energy: 0.5714550499179407
Energy: 0.571107806942818
Energy: 0.7039471289531534
Energy: 0.571107806942818
Energy: 0.577777156443965
Energy: 0.6004844515652796
Energy: 0.576596339258716
Energy: 0.6004844515639808
Energy: 0.600888278623193
Energy: 0.5708442783962723
Energy: 0.5702182375523304
Energy: 0.5708442783962723
Energy: 0.568499232917327
Energy: 0.6081401626597818
Energy: 0.5971065876509047
Energy: 0.6081401626591323
Energy: 0.5960651888036536
Energy: 0.5978956071312679
Energy: 0.5662292399579706
Energy: 0.5978956071312679
Energy: 0.5705365539807826
Energy: 0.619439530364831
Energy: 0.6654983662541853
Energy: 0.619439530364831
Energy: 0.5711336696561808
Energy: 0.5909863403706527
Energy: 0.565963128659993
Energy: 0.590986340371302
Energy: 0.5705422106610203
Energy: 0.619396868946703
Energy: 0.7058649432457322
Energy: 0.619396868946703

minimum gb energy = 0.5634248909564243 eV
minimum distance =  2.53306151730753 Angstroms
sigma value = 29


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

Energy: 0.5452367512550027
Energy: 0.5444731462463641
Energy: 0.6175182888218982
Energy: 0.5444731462463641
Energy: 0.5209787244863188
Energy: 0.5459359842915207
Energy: 0.545562403848595
Energy: 0.5459359842928528
Energy: 0.5212497833587147
Energy: 0.5656587270551321
Energy: 0.6164532896792524
Energy: 0.565658727054026
Energy: 0.5452485482909828
Energy: 0.5233415162295395
Energy: 0.5461476525515042
Energy: 0.5233415162246633
Energy: 0.5454621103785248
Energy: 0.552428315351606
Energy: 0.5212872969843142
Energy: 0.5524283153513796
Energy: 0.5438677783362381
Energy: 0.5640619787949791
Energy: 0.5440543928758654
Energy: 0.5640619787951802
Energy: 0.5210610241118497
Energy: 0.5530773938011816
Energy: 0.5455639011836723
Energy: 0.5530773938009553
Energy: 0.5453900565051001
Energy: 0.52180191186238
Energy: 0.5484392316451663
Energy: 0.5218019118214852
Energy: 0.6165207106469488
Energy: 0.5648587928449487
Energy: 0.5650816319099693
Energy: 0.5648587928440688

minimum gb energy = 0.5209787244863188 eV
minimum distance =  2.58748641802892 Angstroms
sigma value = 5


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

Energy: 0.5439104882603222
Energy: 0.5569157389565438
Energy: 0.695922380384295
Energy: 0.5569157389571572
Energy: 0.6178209774106397
Energy: 0.5801003204967801
Energy: 0.5455162616963916
Energy: 0.5801003204949398
Energy: 0.5328062652189992
Energy: 0.5540096505792181
Energy: 0.6289038126937079
Energy: 0.5540096505792181
Energy: 0.549411898482015
Energy: 0.5755254749193002
Energy: 0.537687048163182
Energy: 0.5755254749193002
Energy: 0.5363889024929928
Energy: 0.5785644347417519
Energy: 0.6260610801909092
Energy: 0.5785644347417519
Energy: 0.5922372357948086
Energy: 0.5961133096778922
Energy: 0.5332249818896841
Energy: 0.5961133096778922
Energy: 0.5345906095546742
Energy: 0.5770264580692207
Energy: 0.5275302986214571
Energy: 0.5770264580692207
Energy: 0.5311900319644026
Energy: 0.5963184804013136
Energy: 0.5341368719235047
Energy: 0.5963184804013136
Energy: 0.537032099238217
Energy: 0.5771973162887581
Energy: 0.5335763242218705
Energy: 0.5771973162887581
Energy: 0.5333579889151093
Energy: 0.5772146389619661
Energy: 0.5458006570490734
Energy: 0.5772146389619661
Energy: 0.5704687795517212
Energy: 0.5962770214296456
Energy: 0.534342494267821
Energy: 0.596277021430259
Energy: 0.5418238712106902
Energy: 0.5877258953817391
Energy: 0.5563552372292498
Energy: 0.5877258953817391
Energy: 0.5862381812483562
Energy: 0.5566788420615169
Energy: 0.5512693364874692
Energy: 0.5566788420615169
Energy: 0.5385986913036589
Energy: 0.5568263670626513
Energy: 0.6141026667929405
Energy: 0.5568263670638782
Energy: 0.6685295309595976
Energy: 0.5770958419203807
Energy: 0.5340256337256097
Energy: 0.5770958419203807
Energy: 0.5332589845436158
Energy: 0.5538743121001463
Energy: 0.5562552984828355
Energy: 0.5538743121001463
Energy: 0.6147095105613192
Energy: 0.5483651194381675
Energy: 0.5435562963378684
Energy: 0.5483651194381675
Energy: 0.5362478301093491
Energy: 0.5955396934338479
Energy: 0.6416002554315287
Energy: 0.5955396934344613
Energy: 0.5291405174708632
Energy: 0.5783087053856889
Energy: 0.52875409904935
Energy: 0.5783087053850754
Energy: 0.5346036322006541
Energy: 0.6267682474388587
Energy: 0.5419348311742563
Energy: 0.6267682474388587
Energy: 0.547671333554581
Energy: 0.5750726121218697
Energy: 0.5366169187763947
Energy: 0.5750726121218697
Energy: 0.5481488767675117
Energy: 0.577158220571293
Energy: 0.5315497797493385
Energy: 0.577158220571293
Energy: 0.5447581642341396
Energy: 0.5576262606001673
Energy: 0.5490262447859076
Energy: 0.5576262606283868
Energy: 0.555717944810915
Energy: 0.5560183456117671
Energy: 0.5457932382184892
Energy: 0.5560183456117671
Energy: 0.5612657933350247
Energy: 0.549481714331241
Energy: 0.5352887438014294
Energy: 0.549481714331241
Energy: 0.5482804273860138
Energy: 0.5564913098823869
Energy: 0.53697722518959
Energy: 0.5564913098823869
Energy: 0.5358104113274444
Energy: 0.5721118673650466
Energy: 0.5669901312795792
Energy: 0.5721118673650466
Energy: 0.5744575972801219
Energy: 0.5767476887547796
Energy: 0.5333658291909135
Energy: 0.5767476887547796
Energy: 0.533837300207305
Energy: 0.5798960144421582
Energy: 0.6248426205020094
Energy: 0.5798960144421582
Energy: 0.6122350639748577
Energy: 0.5954780259604334
Energy: 0.5360245309260424
Energy: 0.5954780259604334
Energy: 0.5313727684660691
Energy: 0.5431952125056138
Energy: 0.609052244033789
Energy: 0.5431952125056138
Energy: 0.6198315169488923
Energy: 0.5816044685243089
Energy: 0.5338014031486689
Energy: 0.5816044685249223
Energy: 0.534985687290578
Energy: 0.5765774928550447
Energy: 0.5525701603926633
Energy: 0.5765774928550447

minimum gb energy = 0.5275302986214571 eV
minimum distance =  2.53600057246677 Angstroms
sigma value = 1


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

Energy: 0.5330648436672097
Energy: 0.5340807826415486
Energy: 0.7663682668921216
Energy: 0.5340807826407004
Energy: 0.6511211685802838
Energy: 0.5372696834149071
Energy: 0.5183487772429045
Energy: 0.537269683414059
Energy: 0.5067422510072522
Energy: 0.5335994698655955
Energy: 0.7064383813453079
Energy: 0.5335994698664437
Energy: 0.5518675870575523
Energy: 0.5643200475805189
Energy: 0.5112768959677522
Energy: 0.5643200475805189
Energy: 0.5068182039556911
Energy: 0.5789375602304244
Energy: 0.6184594135820994
Energy: 0.5789375602304244
Energy: 0.5076710759514623
Energy: 0.5634147740393111
Energy: 0.5112052202011429
Energy: 0.5634147740393111
Energy: 0.5068872380154031
Energy: 0.5797247560399371
Energy: 0.5173120429863527
Energy: 0.5797247560399371
Energy: 0.5065247785665142
Energy: 0.590602375495312
Energy: 0.5250268653503457
Energy: 0.590602375495312
Energy: 0.5331430547093667
Energy: 0.5286331704531887
Energy: 0.5243656658317095
Energy: 0.5286331704531887
Energy: 0.5334788445072252
Energy: 0.528606436607635
Energy: 0.5238198233840714
Energy: 0.528606436607635
Energy: 0.5066897524820081
Energy: 0.5908300355863665
Energy: 0.5672691688961913
Energy: 0.5908300355863665
Energy: 0.5067856613812698
Energy: 0.5797175245348823
Energy: 0.5174025505460235
Energy: 0.5797175245348823
Energy: 0.5076528650552207
Energy: 0.563246879494784
Energy: 0.5113594597007591
Energy: 0.563246879494784
Energy: 0.5067551734467558
Energy: 0.5792129415562501
Energy: 0.533336393694275
Energy: 0.5792129415562501
Energy: 0.5520034201073114
Energy: 0.5643318755240679
Energy: 0.5111890419949692
Energy: 0.5643318755240679
Energy: 0.5067492913886801
Energy: 0.533586695253723
Energy: 0.5810232348173365
Energy: 0.5335866952545711
Energy: 0.6514687571439872
Energy: 0.5371978794499856
Energy: 0.5183933242125531
Energy: 0.5371978794491375
Energy: 0.5330648436672097
Energy: 0.5340807826407004
Energy: 0.6696621817975338
Energy: 0.5340807826415486
Energy: 0.6511211685811319
Energy: 0.5372696834166035
Energy: 0.5183487772429045
Energy: 0.5372696834149071
Energy: 0.5067422510072522
Energy: 0.5335994698664437
Energy: 0.7064383813453079
Energy: 0.5335994698664437
Energy: 0.5518675870584006
Energy: 0.5643200475805189
Energy: 0.5112768959677522
Energy: 0.5643200475805189
Energy: 0.5068182039556911
Energy: 0.5789375602304244
Energy: 0.6184594135820994
Energy: 0.5789375602304244
Energy: 0.507671075950614
Energy: 0.5634147740393111
Energy: 0.5112052202011429
Energy: 0.5634147740393111
Energy: 0.5068872380154031
Energy: 0.5797247560399371
Energy: 0.5173120429829599
Energy: 0.579724756039089

minimum gb energy = 0.5065247785665142 eV
minimum distance =  2.54765381162692 Angstroms
sigma value = 17


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

Energy: 0.5681810862458456
Energy: 0.5363826865618803
Energy: 0.6671252815781927
Energy: 0.5363826865624046
Energy: 0.6352279758477136
Energy: 0.5227871581236636
Energy: 0.522305955474833
Energy: 0.5227871581236636
Energy: 0.5182786853231175
Energy: 0.5301315537230014
Energy: 0.6221104087040765
Energy: 0.5301315537224771
Energy: 0.5833043201281408
Energy: 0.6082273472524118
Energy: 0.5227982528055499
Energy: 0.6082273472524118
Energy: 0.5198427623699431
Energy: 0.5328629980712677
Energy: 0.6422308323450436
Energy: 0.532862998071792
Energy: 0.5159180956027509
Energy: 0.5489490894368981
Energy: 0.530059235434183
Energy: 0.5489490894363739
Energy: 0.5272104623845646
Energy: 0.5570812753616716
Energy: 0.5651098702877044
Energy: 0.5570812753616716
Energy: 0.5229770496417984
Energy: 0.5528833039982604
Energy: 0.517245045803281
Energy: 0.5528833039972118
Energy: 0.5733899481094875
Energy: 0.6114158269614188
Energy: 0.5459328178053392
Energy: 0.6114158269608945
Energy: 0.5744689289295136
Energy: 0.551950738633917
Energy: 0.5255718570324228
Energy: 0.5519507386271014
Energy: 0.5259347152718212
Energy: 0.5400186150020555
Energy: 0.5184541958521225
Energy: 0.5400186150020555
Energy: 0.5265171303455336
Energy: 0.5534038305736696
Energy: 0.5164575601956072
Energy: 0.5534038305736696
Energy: 0.5154307170533418
Energy: 0.545844116028242
Energy: 0.5218017348803741
Energy: 0.5458441160292906
Energy: 0.5242192153969804
Energy: 0.6060418433369716
Energy: 0.570352327782442
Energy: 0.606041843335923
Energy: 0.5186757112828932
Energy: 0.549638420710858
Energy: 0.5409179972173869
Energy: 0.549638420710858
Energy: 0.5169101570265042
Energy: 0.5305284650046931
Energy: 0.6209559519093658
Energy: 0.530528465004169
Energy: 0.5645916251297793
Energy: 0.5161635625954625
Energy: 0.5216313878108203
Energy: 0.5161635625959867
Energy: 0.5185728232732805
Energy: 0.5547875904448982
Energy: 0.5782293849259909
Energy: 0.5547875904454226
Energy: 0.6205290373945468
Energy: 0.5959568807772959
Energy: 0.5194039404177986
Energy: 0.5959568807772959
Energy: 0.5258241437487482
Energy: 0.5293525372977693
Energy: 0.5995644507453478
Energy: 0.5293525372977693
Energy: 0.6407338224665645
Energy: 0.5240056601144838
Energy: 0.5208311902462537
Energy: 0.5240056601144838
Energy: 0.526400873428032
Energy: 0.5364912807721709
Energy: 0.6211758719615711
Energy: 0.5364912807711224
Energy: 0.5455837800016902
Energy: 0.6083472156406623
Energy: 0.5280694177533714
Energy: 0.6083472156406623
Energy: 0.5272659742760897
Energy: 0.5612713065132975
Energy: 0.6330786571412939
Energy: 0.5612713065127731
Energy: 0.5391682821209948
Energy: 0.5725180846989644
Energy: 0.520717932610282
Energy: 0.5725180846989644
Energy: 0.5224832829416552
Energy: 0.56690790344011
Energy: 0.5894887794427054
Energy: 0.56690790344011
Energy: 0.5999829366712369
Energy: 0.5466571039234067
Energy: 0.5172653492117636
Energy: 0.5466571039234067
Energy: 0.5769656714582193
Energy: 0.6036079838529937
Energy: 0.5193709011956481
Energy: 0.6036079838524696
Energy: 0.570460025281753
Energy: 0.565690071175319
Energy: 0.5250986626474345
Energy: 0.5656900711742705
Energy: 0.5223243434866032
Energy: 0.5452692244097304
Energy: 0.5439769578137855
Energy: 0.5452692244097304
Energy: 0.5235763501998478
Energy: 0.5656464838162173
Energy: 0.5195137904580411
Energy: 0.5656464838162173
Energy: 0.5196899096258732
Energy: 0.6021380873722859
Energy: 0.5253287027598651
Energy: 0.6021380873728103
Energy: 0.5172202699898439
Energy: 0.5501155590008421
Energy: 0.6067817727371556
Energy: 0.5501155590008421
Energy: 0.555140013040375
Energy: 0.5583427313605287
Energy: 0.5328306890596304
Energy: 0.5583427313615772
Energy: 0.515972419901924
Energy: 0.5737171177623182
Energy: 0.5279851516859364
Energy: 0.5737171177628425
Energy: 0.5651973581663892
Energy: 0.5598545629191365
Energy: 0.5291038692645974
Energy: 0.5598545629180879
Energy: 0.5266196660633848
Energy: 0.5209280046739408
Energy: 0.5172291173084658
Energy: 0.5209280046739408
Energy: 0.557027771920645
Energy: 0.5565791647780337
Energy: 0.5265866024740605
Energy: 0.5565791647775095

minimum gb energy = 0.5154307170533418 eV
minimum distance =  2.53477755744906 Angstroms
sigma value = 89


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

Energy: 0.4733952044237358
Energy: 0.4741159954929488
Energy: 0.590133990021448
Energy: 0.4741159954929488
Energy: 0.4739496413193628
Energy: 0.4880757935083373
Energy: 0.48461004969850885
Energy: 0.4880757935083373
Energy: 0.4826713143789849
Energy: 0.6664025072454121
Energy: 0.7815619758058933
Energy: 0.6664025072454121
Energy: 0.4958322449930991
Energy: 0.4881562168470144
Energy: 0.48474349259622035
Energy: 0.4881562168470144
Energy: 0.4827361555529896
Energy: 0.47556598551040263
Energy: 0.4746845108837158
Energy: 0.47556598551040263
Energy: 0.4828427726095242
Energy: 0.47439340255159124
Energy: 0.47687665978763893
Energy: 0.47439340255159124
Energy: 0.4826950370887694
Energy: 0.5571498741441401
Energy: 0.4737617145052057
Energy: 0.5571498741441401
Energy: 0.49334500470150966
Energy: 0.5110126060234608
Energy: 0.4845421711368164
Energy: 0.5110126060125179
Energy: 0.4828050551048686
Energy: 0.5197996630059325
Energy: 0.49599168716224956
Energy: 0.5197996630059325
Energy: 0.48797312600588744
Energy: 0.4742518298119236
Energy: 0.4830190354755189
Energy: 0.47425182981055186
Energy: 0.4736562464875246
Energy: 0.4883222016130872
Energy: 0.4827204007650997
Energy: 0.4883222016130872
Energy: 0.47362385228892656
Energy: 0.5548742723582066
Energy: 0.4844474654587441
Energy: 0.5548742723582066
Energy: 0.48303012778569
Energy: 0.47396682467630274
Energy: 0.49598843715356344
Energy: 0.47396682467630274
Energy: 0.4829270294853828
Energy: 0.5181701186544422
Energy: 0.482967440639443
Energy: 0.5181701186544422
Energy: 0.49179642197487683
Energy: 0.4755780505313154
Energy: 0.4829274198810406
Energy: 0.4755780505313154

minimum gb energy = 0.4733952044237358 eV
minimum distance =  2.56337569208058 Angstroms
sigma value = 13


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

Energy: 0.48326387567686135
Energy: 0.46896445192647934
Energy: 0.6842922954650342
Energy: 0.46896445192532943
Energy: 0.5492979116074765
Energy: 0.543526728183138
Energy: 0.46968643806188487
Energy: 0.543526728002106
Energy: 0.4695687743015234
Energy: 0.5394645811930197
Energy: 0.6949054864526766
Energy: 0.5394645811912949
Energy: 0.4684515590632674
Energy: 0.5436953796967516
Energy: 0.4663707642572539
Energy: 0.5436953796933018
Energy: 0.47469071435593035
Energy: 0.5031189950404971
Energy: 0.5013205118880608
Energy: 0.5031189950404971
Energy: 0.46737106455029426
Energy: 0.48001751298029605
Energy: 0.47447169515341153
Energy: 0.48001751298087103
Energy: 0.47387423618585567
Energy: 0.5027088239107567
Energy: 0.5888825230638387
Energy: 0.5027088239119065
Energy: 0.4665268276177808
Energy: 0.6119692444045933
Energy: 0.4744114911190516
Energy: 0.6119692444045933
Energy: 0.4732321407476617
Energy: 0.5027225961406205
Energy: 0.5432400943362529
Energy: 0.5027225961406205
Energy: 0.5433207664321066
Energy: 0.5742187071797217
Energy: 0.46660398317996277
Energy: 0.5742187071797217
Energy: 0.4738452386708997
Energy: 0.5119998575235076
Energy: 0.4799459243189925
Energy: 0.5119998575240825
Energy: 0.5884624988934872
Energy: 0.5112265103103845
Energy: 0.4713716505977423
Energy: 0.5112265103126843
Energy: 0.49059005804858985
Energy: 0.47597029657766476
Energy: 0.4743911686022482
Energy: 0.47597029657938966
Energy: 0.6160266598921487
Energy: 0.5111598114948749
Energy: 0.47106472071387123
Energy: 0.5111598114948749
Energy: 0.47514687201820527
Energy: 0.46860167782671414
Energy: 0.47798139247915267
Energy: 0.4686016778255643
Energy: 0.46845685245116814
Energy: 0.5116213903688939
Energy: 0.46536439735661744
Energy: 0.5116213903683189
Energy: 0.476139232557928
Energy: 0.4994327750476026
Energy: 0.46555770299847066
Energy: 0.4994327750476026
Energy: 0.48353149608608437
Energy: 0.5009686845472922
Energy: 0.4730771050362688
Energy: 0.5009686845472922
Energy: 0.47628592343555637
Energy: 0.47662850407618523
Energy: 0.4732095408071417
Energy: 0.47662850407561025
Energy: 0.47611154426446656
Energy: 0.476942770182569
Energy: 0.47265977120363745
Energy: 0.476942770182569
Energy: 0.4836269770219764
Energy: 0.5009623921811436
Energy: 0.47297230793021494
Energy: 0.5009623921811436
Energy: 0.47610338493000004
Energy: 0.4994517507119779
Energy: 0.4657310980915691
Energy: 0.4994517507119779
Energy: 0.4685701141080919
Energy: 0.5117386178720924
Energy: 0.4653147242099515
Energy: 0.5117386178715174
Energy: 0.4759787439104843
Energy: 0.46882573955055024
Energy: 0.4882833642285485
Energy: 0.4688257395482504
Energy: 0.6162844416218414
Energy: 0.5112118048690464
Energy: 0.47123773106842537
Energy: 0.5112118048690464
Energy: 0.4901956698942888
Energy: 0.4762986282996046
Energy: 0.49188835492967586
Energy: 0.47629862830017966
Energy: 0.5885822844003931
Energy: 0.5111505323484958
Energy: 0.4713297494959043
Energy: 0.5111505323507957
Energy: 0.4729784336275987
Energy: 0.5118141108410782
Energy: 0.4854247091488585
Energy: 0.5118141108399282
Energy: 0.543120883137049
Energy: 0.5742618199813705
Energy: 0.46660734110480123
Energy: 0.5742618199819455
Energy: 0.4736339634018829
Energy: 0.5026525428955707
Energy: 0.6164050323208157
Energy: 0.5026525428955707
Energy: 0.46663865717932307
Energy: 0.6113428852253612
Energy: 0.4742467632832211
Energy: 0.611342885216162
Energy: 0.47409807457566533
Energy: 0.5027292853140028
Energy: 0.652456313924841
Energy: 0.5027292853071034
Energy: 0.467250171291541
Energy: 0.4798557126646698
Energy: 0.4743741109293305
Energy: 0.4798557126646698
Energy: 0.4764383057786264
Energy: 0.5030688125015536
Energy: 0.5076691973984783
Energy: 0.5030688125015536
Energy: 0.4696947360492586
Energy: 0.5447020811653702
Energy: 0.4664127648611762
Energy: 0.5447020811647952

minimum gb energy = 0.4653147242099515 eV
minimum distance =  2.52566949339294 Angstroms
sigma value = 37


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

Energy: 0.5026295086589819
Energy: 0.5030813365720989
Energy: 0.44252145519478925
Energy: 0.5030813365720989
Energy: 0.5474228572756743
Energy: 0.49159681228257035
Energy: 0.4374750444109496
Energy: 0.4915968122835595
Energy: 0.4424926525385845
Energy: 0.6085934217817273
Energy: 0.5864918440637439
Energy: 0.6085934217817273
Energy: 0.49256730752869293
Energy: 0.44331815236481337
Energy: 0.4381579280670086
Energy: 0.44331815236481337
Energy: 0.43666622831644514
Energy: 0.44323507884230157
Energy: 0.48927654048854546
Energy: 0.44323507884230157
Energy: 0.4561292422851572
Energy: 0.49294584012723436
Energy: 0.48567564461299007
Energy: 0.49294584012723436
Energy: 0.4434968397205281
Energy: 0.5722102740643329
Energy: 0.5919466843655676
Energy: 0.5722102740643329
Energy: 0.43178095116601395
Energy: 0.44367862139412045
Energy: 0.4450765865574311
Energy: 0.44367862139412045
Energy: 0.4380562009657512
Energy: 0.4914392327153682
Energy: 0.5342132475000994
Energy: 0.49143923271437906
Energy: 0.5866128892840391
Energy: 0.5573681363279145
Energy: 0.4856363642804922
Energy: 0.5573681363279145
Energy: 0.44606395798117354
Energy: 0.5279333064187242
Energy: 0.49269237963293433
Energy: 0.5279333064187242
Energy: 0.5569952561043165
Energy: 0.4434283567136091
Energy: 0.43830849780530967
Energy: 0.4434283567136091
Energy: 0.48388200294957834
Energy: 0.491719933932041
Energy: 0.4359556538200062
Energy: 0.491719933932041
Energy: 0.592637554791826
Energy: 0.5091285490117945
Energy: 0.4315939525347247
Energy: 0.5091285490117945
Energy: 0.5027324074344562
Energy: 0.46350879567057235
Energy: 0.43151191870251066
Energy: 0.46350879566958325
Energy: 0.5027580042468739
Energy: 0.4440850664229996
Energy: 0.4374396929220773
Energy: 0.4440850664229996
Energy: 0.48403782412731533
Energy: 0.49180188353085186
Energy: 0.4311923642033221
Energy: 0.49180188353085186
Energy: 0.4840670831269093
Energy: 0.48047199285789016
Energy: 0.4365070902045237
Energy: 0.48047199285096587
Energy: 0.4364395110001557
Energy: 0.4434825254920888
Energy: 0.436544050185706
Energy: 0.4434825254920888
Energy: 0.4347975633428483
Energy: 0.4433604958228344
Energy: 0.484177886251618
Energy: 0.4433604958228344

minimum gb energy = 0.4311923642033221 eV
minimum distance =  2.57695920696163 Angstroms
sigma value = 25


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

Energy: 0.4182376682368731
Energy: 0.39959983580834596
Energy: 0.6256731586789868
Energy: 0.39959983580834596
Energy: 0.5085276367826933
Energy: 0.4072696928497997
Energy: 0.4014715494518895
Energy: 0.40726969284671
Energy: 0.39676569105573184
Energy: 0.39718192327420193
Energy: 0.6845114747845582
Energy: 0.39718192327342955
Energy: 0.44257290983075376
Energy: 0.4069672425923099
Energy: 0.399945614843827
Energy: 0.40696724259153744
Energy: 0.4006376603351029
Energy: 0.4853547783187292
Energy: 0.3910417555310939
Energy: 0.4853547783187292
Energy: 0.3905470235623678
Energy: 0.40683008404518844
Energy: 0.4003635992610556
Energy: 0.4068300840544576
Energy: 0.4011308083016893
Energy: 0.39718818008398066
Energy: 0.4431111705615025
Energy: 0.3971881800832083
Energy: 0.39977506947001257
Energy: 0.4183122203695176
Energy: 0.39775943451508267
Energy: 0.41831222037106236
Energy: 0.40067544893950385
Energy: 0.4069590102983347
Energy: 0.546898755299813
Energy: 0.4069590102975622
Energy: 0.39384549462310076
Energy: 0.3999232167263254
Energy: 0.41926183870340455
Energy: 0.399923216714739
Energy: 0.40137510830674233
Energy: 0.39720545301295856
Energy: 0.5572423378623858
Energy: 0.39720545301295856
Energy: 0.5155711594850699
Energy: 0.5034398934435556
Energy: 0.3977845488867344
Energy: 0.5034398934435556
Energy: 0.4006311383559251
Energy: 0.40681958927775813
Energy: 0.4756401616866069
Energy: 0.40681958927853057
Energy: 0.5029924623126761
Energy: 0.3994087837095177
Energy: 0.4005881998532867
Energy: 0.3994087837095177
Energy: 0.40142308307488556
Energy: 0.3971264301837905
Energy: 0.39037345896889397
Energy: 0.3971264301837905
Energy: 0.49769747476600673
Energy: 0.4616102583925421
Energy: 0.4004267072327061
Energy: 0.4616102583917697
Energy: 0.40065808070463976
Energy: 0.4186534323247744
Energy: 0.3937289798860362
Energy: 0.4186534323270917
Energy: 0.48384414397048237
Energy: 0.40666744272183186
Energy: 0.40127474347393394
Energy: 0.406667442683983
Energy: 0.42207305429323055
Energy: 0.3973139675454153
Energy: 0.3939575720367736
Energy: 0.3973139675454153
Energy: 0.5610550835456672
Energy: 0.5314741580629799
Energy: 0.40042961621791845
Energy: 0.5314741580637525
Energy: 0.4005964872484751
Energy: 0.5810248262013236
Energy: 0.3941056222340052
Energy: 0.5810248262013236
Energy: 0.3972986428754818
Energy: 0.40669001473315153
Energy: 0.40005121965839086
Energy: 0.40669001473237903
Energy: 0.40126050696006926
Energy: 0.4361938999610655
Energy: 0.5042142410565948
Energy: 0.4361938999610655
Energy: 0.39030852613782985
Energy: 0.45787749893290525
Energy: 0.4003911893877433
Energy: 0.4578774989336777
Energy: 0.40046908515250995
Energy: 0.4568307985714099
Energy: 0.4976396673637222
Energy: 0.4568307985714099
Energy: 0.39068246405151313
Energy: 0.41858402878019346
Energy: 0.39701941018680736
Energy: 0.4185840287817384

minimum gb energy = 0.39030852613782985 eV
minimum distance =  2.58151855744377 Angstroms
sigma value = 41


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

Energy: 0.5009739074676312
Energy: 0.3772369893713093
Energy: 0.6675369868874594
Energy: 0.377236989492838
Energy: 0.5251035253037003
Energy: 0.3693858217302893
Energy: 0.36652332136703836
Energy: 0.36938582172965606
Energy: 0.3751530830714484
Energy: 0.3651684841351519
Energy: 0.6421777191043174
Energy: 0.3651684841351519
Energy: 0.5013146614165547
Energy: 0.3692527580380951
Energy: 0.36645933622147503
Energy: 0.3692527580380951
Energy: 0.3635704710175872
Energy: 0.4470003111655096
Energy: 0.36337339175540906
Energy: 0.4470003111648763
Energy: 0.4047538091899591
Energy: 0.3696340245166452
Energy: 0.3664665731432359
Energy: 0.3696340245166452
Energy: 0.3659776826836238
Energy: 0.43317283006188634
Energy: 0.40347125650498356
Energy: 0.43317283006758567
Energy: 0.3610116472558236
Energy: 0.3762308374702838
Energy: 0.3640440788712271
Energy: 0.3762308374715504
Energy: 0.3681114497201875
Energy: 0.37757145932251684
Energy: 0.4583627171496561
Energy: 0.37757145932064584
Energy: 0.36817616699912786
Energy: 0.3656783779169871
Energy: 0.3757474836029139
Energy: 0.36567837791382085
Energy: 0.3660828191542349
Energy: 0.36933949547750816
Energy: 0.5618780512499567
Energy: 0.36933949547750816
Energy: 0.3652514255318787
Energy: 0.37742122170487885
Energy: 0.5016262001538222
Energy: 0.37742122170487885
Energy: 0.36812578886912567
Energy: 0.4132585843526384
Energy: 0.5620375740635272
Energy: 0.4132585843526384
Energy: 0.4623622140930944
Energy: 0.3888372926504211
Energy: 0.37576509683242487
Energy: 0.38883729265295414
Energy: 0.3660090628213008
Energy: 0.3693005033097217
Energy: 0.49971263904699353
Energy: 0.36930050330908837
Energy: 0.45504071996799156
Energy: 0.4466863724426591
Energy: 0.36415226528636285
Energy: 0.4466863724394928
Energy: 0.36821676325710023
Energy: 0.4078721851196416
Energy: 0.43140608323832325
Energy: 0.40787218521586865
Energy: 0.4534587636808152
Energy: 0.3901255263390838
Energy: 0.3665286113903504
Energy: 0.39012552633528425
Energy: 0.36597987029652235
Energy: 0.37626310437072774
Energy: 0.3610700408018307
Energy: 0.37626310437009447
Energy: 0.449996196095145
Energy: 0.3771174738309104
Energy: 0.3682202779135246
Energy: 0.37711747381064603
Energy: 0.3776921484389152
Energy: 0.40800166093406576
Energy: 0.3636885779095865
Energy: 0.4080016609346991
Energy: 0.5620934606133751
Energy: 0.4158813169970615
Energy: 0.36654656612645403
Energy: 0.4158813169970615
Energy: 0.5034087412830828
Energy: 0.4391475770893988
Energy: 0.3632278701130668
Energy: 0.43914757708813223
Energy: 0.502176326171601
Energy: 0.4715211937918259
Energy: 0.3685903511924855
Energy: 0.4715211938728259
Energy: 0.37756471854082585
Energy: 0.40908194231352035
Energy: 0.364425554233849
Energy: 0.40908194231352035
Energy: 0.5010506866222681
Energy: 0.4184407169049255
Energy: 0.3665758388973845
Energy: 0.41844071690682527
Energy: 0.3659278074187634
Energy: 0.5105549472724366
Energy: 0.4550792970622515
Energy: 0.5105549472718034
Energy: 0.36400868080468124
Energy: 0.4083587541497322
Energy: 0.36858043987196026
Energy: 0.4083587541484657
Energy: 0.3682202393510513
Energy: 0.40931477885942497
Energy: 0.4531475684486582
Energy: 0.4093147788581584
Energy: 0.3610387984179405
Energy: 0.4280049711466987
Energy: 0.3686627141081564
Energy: 0.428004971147332
Energy: 0.3662616883849112
Energy: 0.37576552191276086
Energy: 0.4497686486718233
Energy: 0.37576552191339413
Energy: 0.3615277312486663
Energy: 0.40817990921666475
Energy: 0.38028037370708034
Energy: 0.40817990921793124

minimum gb energy = 0.3610116472558236 eV
minimum distance =  2.57436536778761 Angstroms
sigma value = 15


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

Energy: 0.49456224332599585
Energy: 0.38652003418243824
Energy: 0.5682350160913754
Energy: 0.38652003423657216
Energy: 0.6443944720179718
Energy: 0.3489268673074009
Energy: 0.34667618524391397
Energy: 0.34892686730525513
Energy: 0.38624453567137196
Energy: 0.3515404182593362
Energy: 0.4216194716419967
Energy: 0.3515404191033373
Energy: 0.5091327937831199
Energy: 0.3506286332908956
Energy: 0.34670236391445775
Energy: 0.35062863329518734
Energy: 0.3736636165898252
Energy: 0.38189467602243454
Energy: 0.37168844740902846
Energy: 0.38189467602779925
Energy: 0.4816327660173148
Energy: 0.34661080033721187
Energy: 0.3471508764634211
Energy: 0.3466108054748116
Energy: 0.34946203225655925
Energy: 0.4033868970711309
Energy: 0.4005942273346072
Energy: 0.4033868970700579
Energy: 0.42472214500568617
Energy: 0.3770479063298673
Energy: 0.3501650199246541
Energy: 0.37704790667305665
Energy: 0.34781347186895917
Energy: 0.3529525296174199
Energy: 0.4496434599694092
Energy: 0.35295252962278445
Energy: 0.3693963963457548
Energy: 0.3458940248314507
Energy: 0.3741535177535794
Energy: 0.3458940248303778
Energy: 0.34643360389253136
Energy: 0.3469478935138726
Energy: 0.4978228840387908
Energy: 0.3469478935138726
Energy: 0.3441050635319995
Energy: 0.35168750960956563
Energy: 0.3863662043178551
Energy: 0.3516875096138574
Energy: 0.3477594292157817
Energy: 0.3583281452486725
Energy: 0.5933788888510527
Energy: 0.3583281452497454
Energy: 0.33773017249202997
Energy: 0.3495852319106926
Energy: 0.4604643285284869
Energy: 0.34958523190908325
Energy: 0.3462550345328428
Energy: 0.3485335510963247
Energy: 0.5700588773474019
Energy: 0.3485335510947153
Energy: 0.42152007498166244
Energy: 0.35166383513301075
Energy: 0.38646314299489726
Energy: 0.35166383026998205
Energy: 0.34774102606253193
Energy: 0.3554010260890407
Energy: 0.5389460920383972
Energy: 0.3554010260788479
Energy: 0.41696904194831996
Energy: 0.37713863792885804
Energy: 0.3742366988369801
Energy: 0.37713863792671226
Energy: 0.34746121248360967
Energy: 0.34602398866594153
Energy: 0.48782874781327024
Energy: 0.34602398866755096
Energy: 0.44462718988308453
Energy: 0.40701145695484786
Energy: 0.35028039566412855
Energy: 0.40701145695484786
Energy: 0.3515957377463352
Energy: 0.35830602569017506
Energy: 0.42633940929558045
Energy: 0.35830602568105524
Energy: 0.4437681934690188
Energy: 0.3520922641408198
Energy: 0.3496815249763068
Energy: 0.35209226411560607
Energy: 0.3751890021229582
Energy: 0.3461092794032254
Energy: 0.3715374113056896
Energy: 0.3461092794005431
Energy: 0.5565826113945249
Energy: 0.37310949568563495
Energy: 0.3468174860457783
Energy: 0.3731094956883173
Energy: 0.3876018100554661
Energy: 0.3582830707965844
Energy: 0.36959958713397595
Energy: 0.35828307079873023
Energy: 0.5533174458678835
Energy: 0.3508402117331419
Energy: 0.349765432192142
Energy: 0.3508402117315325
Energy: 0.49601816362642653
Energy: 0.3508155982850679
Energy: 0.33957824738172465
Energy: 0.3508155982882866
Energy: 0.5908855653635502
Energy: 0.3737629523779543
Energy: 0.3467877334563133
Energy: 0.373762952397267
Energy: 0.3875322635703644
Energy: 0.38637830230062187
Energy: 0.34120157558945
Energy: 0.38637830230062187
Energy: 0.4868578130779736
Energy: 0.35550743272558416
Energy: 0.34970139366966735
Energy: 0.35550743279473895
Energy: 0.3751680468592684
Energy: 0.37283747431348824
Energy: 0.41784942403764436
Energy: 0.3728374743150976
Energy: 0.49459801821032123
Energy: 0.3457348278733288
Energy: 0.3486931138695931
Energy: 0.3457348278733288
Energy: 0.3518064167083766
Energy: 0.3860519585964526
Energy: 0.44507857727792527
Energy: 0.38605195859752545
Energy: 0.36739932948727194
Energy: 0.35818563142105364
Energy: 0.3537002778429629
Energy: 0.35818563142159004
Energy: 0.34498301700201495
Energy: 0.3762118211068508
Energy: 0.4435210441903326
Energy: 0.37621182110631435
Energy: 0.3655110163855185
Energy: 0.34659153655804714
Energy: 0.3771165558480889
Energy: 0.34659153655858355
Energy: 0.3478008096745933
Energy: 0.38751898545311314
Energy: 0.564996858938007
Energy: 0.38751898545257674

minimum gb energy = 0.33773017249202997 eV
minimum distance =  2.57469532582039 Angstroms
sigma value = 85


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

Energy: 0.430852868982579
Energy: 0.33407971462618835
Energy: 0.5742341525907149
Energy: 0.33407971462618835
Energy: 0.6737129215060615
Energy: 0.33050813611929925
Energy: 0.31676879733422697
Energy: 0.3305081361188339
Energy: 0.4146803794663124
Energy: 0.33042962499559253
Energy: 0.3490137649530595
Energy: 0.33042962499605777
Energy: 0.5034468866498141
Energy: 0.33062313818127
Energy: 0.3167583000503107
Energy: 0.33062313818033945
Energy: 0.329230724759102
Energy: 0.31595466679017425
Energy: 0.30696165404866416
Energy: 0.31595466678970896
Energy: 0.45465543149411963
Energy: 0.33069345579142645
Energy: 0.31672674780250376
Energy: 0.3306934557928223
Energy: 0.31479137931482964
Energy: 0.380641700000604
Energy: 0.3658714779318657
Energy: 0.380641700000604
Energy: 0.4056754979425048
Energy: 0.32956035027746305
Energy: 0.31673660437811824
Energy: 0.3295603502769978
Energy: 0.3163209630118263
Energy: 0.3651990162433149
Energy: 0.4020312779507294
Energy: 0.3651990162512246
Energy: 0.35648018621945465
Energy: 0.33937472158043797
Energy: 0.3152133220778791
Energy: 0.3393747215809033
Energy: 0.31767916517741757
Energy: 0.3305685189917197
Energy: 0.457079675006797
Energy: 0.3305685189926502
Energy: 0.3053514268337645
Energy: 0.3295621437050264
Energy: 0.3296301407744833
Energy: 0.3295621437068875
Energy: 0.3163545392599678
Energy: 0.32200303298386873
Energy: 0.49048675036127565
Energy: 0.32200303298526467
Energy: 0.3102189910870988
Energy: 0.33076539483815864
Energy: 0.41504277601325773
Energy: 0.33076539483908923
Energy: 0.3177958382824756
Energy: 0.3305521891260678
Energy: 0.5477117084801347
Energy: 0.3305521891256026
Energy: 0.3058306098586168
Energy: 0.33401647133895374
Energy: 0.4313563662907223
Energy: 0.33401647133895374
Energy: 0.31639282297561655
Energy: 0.3219467970293103
Energy: 0.5477492097892065
Energy: 0.321946797028845
Energy: 0.34733777673678384
Energy: 0.3306733940098973
Energy: 0.4150447438431573
Energy: 0.3306733940094321
Energy: 0.3177893628438217
Energy: 0.3308509912966719
Energy: 0.5033843330257969
Energy: 0.3308509912966719
Energy: 0.3750575630571103
Energy: 0.33397821541157174
Energy: 0.32968706239498013
Energy: 0.33397821541296757
Energy: 0.31637026222729425
Energy: 0.321758326612573
Energy: 0.4545155046653173
Energy: 0.3217583266097813
Energy: 0.37482431367787494
Energy: 0.37791677894886844
Energy: 0.31512572455245447
Energy: 0.37791677894886844
Energy: 0.3178629412848437
Energy: 0.3294637324876336
Energy: 0.4048790050356324
Energy: 0.3294637324880988
Energy: 0.37407694610192155
Energy: 0.34144155716587
Energy: 0.3167166950100728
Energy: 0.3414415571649394
Energy: 0.3164084360106509
Energy: 0.32960335357099535
Energy: 0.35660479534996453
Energy: 0.3296033535714607
Energy: 0.4709008724656804
Energy: 0.330622589468547
Energy: 0.31732599928884064
Energy: 0.3306225894690123
Energy: 0.33070858342620013
Energy: 0.3293177999541587
Energy: 0.3054860093528719
Energy: 0.3293177999560198
Energy: 0.4717365999365461
Energy: 0.34141175142167635
Energy: 0.3167920532163586
Energy: 0.34141175142214164
Energy: 0.4161749572935093
Energy: 0.3724861805083733
Energy: 0.308485946126211
Energy: 0.3724861805083733
Energy: 0.5477759105244713
Energy: 0.3305884392828245
Energy: 0.31744292907138305
Energy: 0.3305884392828245
Energy: 0.4322447527342295
Energy: 0.3294768962990712
Energy: 0.3057789320415193
Energy: 0.32947689630325866
Energy: 0.5115657211147281
Energy: 0.33930469352624154
Energy: 0.3167164310640066
Energy: 0.3393046935374081
Energy: 0.41620266105568876
Energy: 0.3722751924592879
Energy: 0.3114878462782953
Energy: 0.3722751924602185
Energy: 0.5032224323504719
Energy: 0.372254296290988
Energy: 0.317338085489478
Energy: 0.372254296290988
Energy: 0.3309186590952456
Energy: 0.32962136032282097
Energy: 0.3749939528749919
Energy: 0.32962136032282097
Energy: 0.40557594634146205
Energy: 0.339024403503319
Energy: 0.31678359963677205
Energy: 0.33902440354470736
Energy: 0.3164335082742411
Energy: 0.4209711705144035
Energy: 0.37430434641214383
Energy: 0.4209711705144035
Energy: 0.40494796698249697
Energy: 0.3294297374741766
Energy: 0.31771123426685477
Energy: 0.3294297374755725
Energy: 0.31786473314094243
Energy: 0.329503326368056
Energy: 0.37373796804439663
Energy: 0.32950332636945184
Energy: 0.3068791785333996
Energy: 0.3497969836304768
Energy: 0.3151941497392657
Energy: 0.3497969836300115
Energy: 0.3164791218834503
Energy: 0.3722800750843986
Energy: 0.47063072528630084
Energy: 0.3722800750843986
Energy: 0.3055467670133047
Energy: 0.32944484550913455
Energy: 0.33260863608466384
Energy: 0.32944484550634284
Energy: 0.3178497738514556
Energy: 0.3295129351624464
Energy: 0.47122841914306873
Energy: 0.3295129351615158

minimum gb energy = 0.3053514268337645 eV
minimum distance =  2.58960777832422 Angstroms
sigma value = 113


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

Energy: 0.011923429957861068
Energy: 0.01305195431053742
Energy: 0.45838009487101805
Energy: 0.01305195431053742
Energy: 0.4580211601303194
Energy: 0.18346342413294586
Energy: 0.1841804033738452
Energy: 0.18346342413294586
Energy: 0.011923429957861068
Energy: 0.013051954310199612
Energy: 0.45838009475844854
Energy: 0.01305195431053742
Energy: 0.4580211601303194
Energy: 0.18346342413328365
Energy: 0.1841804033731497
Energy: 0.18346342413328365
Energy: 0.011923429957861068
Energy: 0.01305195431053742
Energy: 0.4583800952723139
Energy: 0.01305195431053742
Energy: 0.4580211601303194
Energy: 0.18346342413328365
Energy: 0.1841804033734875
Energy: 0.18346342413328365

minimum gb energy = 0.011923429957861068 eV
minimum distance =  2.83310314021507 Angstroms
sigma value = 1