Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
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=3.9946166351437573
cohesive_energy=3.28511992291482
mass=26.981538
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=[2.58878098345086e-19, 3.1784781153608994e-19, 3.58698509173188e-19, 3.8887871042784596e-19, 4.11756190584732e-19, 4.30099510867398e-19, 4.45099088514906e-19, 4.575143552517719e-19, 4.6786762066068e-19, 4.76557826723496e-19, 4.83966291479112e-19, 4.90801176999756e-19, 4.981391459834759e-19, 5.053265103635999e-19, 5.10791534862174e-19, 5.14788965564004e-19, 5.1788757517416e-19, 5.20353325013886e-19, 5.223111848606339e-19, 5.23826843956398e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26151602252332e-19, 5.2629259379612395e-19, 5.261548066056e-19, 5.257013906181779e-19, 5.2491311971425e-19, 5.238092200134239e-19, 5.22497037350178e-19, 5.211239719748399e-19, 5.19462514805382e-19, 5.16889419131178e-19, 5.131595519272259e-19, 5.08319376315912e-19, 5.0234646182436e-19, 4.95122247381654e-19, 4.86486515324394e-19, 4.76298274108788e-19, 4.64961272246604e-19, 4.53821338110402e-19, 4.40282945553102e-19, 4.21963657919946e-19, 3.9959086340277e-19, 3.73190196827718e-19, 3.43332033076494e-19, 3.0751537442342396e-19, 2.65628068504128e-19, 2.2974411843243e-19, 1.8321050027453399e-19, 1.3471597813428538e-19, 1.057688120171538e-19, 1.2599324788579918e-19, 2.92611927373956e-19, 9.455005079055898e-19]
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: -6.30324000329931e-20 eV

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

Energy: 0.010375730468853546
Energy: 0.010710361024974134
Energy: 0.34789708949266
Energy: 0.05451897215237962
Energy: 0.010710361024460463
Energy: 0.44743917369994773
Energy: 0.05451897215237962
Energy: 0.4474391736482384
Energy: 0.34789708949314513
Energy: 0.05451897215237962
Energy: 0.010375730468853546
Energy: 0.010710361024460463
Energy: 0.05451897215237962
Energy: 0.447439173702459
Energy: 0.010710361024974134
Energy: 0.4474391738239418

minimum gb energy = 0.010375730468853546 eV
minimum distance =  2.72999383408416 Angstroms
sigma value = 1


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

Energy: 0.6524654264066931
Energy: 0.39045466961849284
Energy: 0.40994639305774533
Energy: 0.40944556217344746
Energy: 0.42768192520224846
Energy: 0.4285819242479501
Energy: 0.40930939006567796
Energy: 0.4285819242479501
Energy: 0.4114773004860225
Energy: 0.4095082675591139
Energy: 0.4135373006859918
Energy: 0.4095082675591139
Energy: 0.40889121873260886
Energy: 0.41032489827325325
Energy: 0.4092542933291982
Energy: 0.41032489827325325
Energy: 0.4393722077098854
Energy: 0.409912091235896
Energy: 0.4097343535290936
Energy: 0.409912091235896
Energy: 0.4081834440925013
Energy: 0.46203016669021746
Energy: 0.40878732569493015
Energy: 0.46203016669021746
Energy: 0.4364373047863468
Energy: 0.4582898074117964
Energy: 0.4361743559391296
Energy: 0.45828980741241937
Energy: 0.4111272304161178
Energy: 0.4584217408291365
Energy: 0.4180001112870819
Energy: 0.4584217408291365
Energy: 0.41657226828120425
Energy: 0.4803578580739654
Energy: 0.4382155105611418
Energy: 0.4803578580739654
Energy: 0.4359434830803699
Energy: 0.480426978972433
Energy: 0.4373867342838454
Energy: 0.480426978972433
Energy: 0.43684742541818666
Energy: 0.48066764628130937
Energy: 0.4134497282762816
Energy: 0.48066764628130937
Energy: 0.4403474294337919
Energy: 0.4798926592550936
Energy: 0.41625802032653014
Energy: 0.4798926592544706
Energy: 0.4365588791497525
Energy: 0.45898287920991737
Energy: 0.4350155794221608
Energy: 0.45898287920991737
Energy: 0.4082704057741891
Energy: 0.4569420205273825
Energy: 0.4310866277892761
Energy: 0.4569420205273825
Energy: 0.43467239803443336
Energy: 0.4102647843771652
Energy: 0.40959836507733055
Energy: 0.4102647843771652
Energy: 0.3887218615080175
Energy: 0.4099222097700662
Energy: 0.40928301991909566
Energy: 0.4099222097700662
Energy: 0.40929190781512137
Energy: 0.40883838063230044
Energy: 0.3889654696912148
Energy: 0.40883838063230044
Energy: 0.4091230500276643
Energy: 0.40872029650468006
Energy: 0.4281205994396572
Energy: 0.40872029650468006
Energy: 0.41353256216623285
Energy: 0.40975876859768084
Energy: 0.4117177248254457
Energy: 0.40975876859768084
Energy: 0.40834060189519505
Energy: 0.40879805544148207
Energy: 0.40927165450569297
Energy: 0.40879805544148207
Energy: 0.41010150941787543
Energy: 0.4097658799064456
Energy: 0.4373323240522383
Energy: 0.4097658799064456
Energy: 0.40893838573477015
Energy: 0.40966602699964705
Energy: 0.4085103602682353
Energy: 0.40966602699964705
Energy: 0.43582549376657814
Energy: 0.477395227377386
Energy: 0.4355741942610638
Energy: 0.477395227377386
Energy: 0.4140404623927658
Energy: 0.456462869744126
Energy: 0.40967423832037897
Energy: 0.456462869744126
Energy: 0.43824745196130316
Energy: 0.48045030119624044
Energy: 0.4397305887152421
Energy: 0.48045030119624044
Energy: 0.4384507151033877
Energy: 0.47889056557938364
Energy: 0.43670530433397337
Energy: 0.47889056557938364
Energy: 0.4419192072591404
Energy: 0.4797894516847873
Energy: 0.4346404563895014
Energy: 0.4797894516847873
Energy: 0.4147480687324878
Energy: 0.4793511700469983
Energy: 0.4394950968260055
Energy: 0.4793511700469983
Energy: 0.4348606907119667
Energy: 0.45913943867439017
Energy: 0.4391623064257505
Energy: 0.4591394386737672
Energy: 0.43473793228853996
Energy: 0.4583526030301385
Energy: 0.40861275076236975
Energy: 0.4583526030301385
Energy: 0.4109626096073096
Energy: 0.4108400682107044
Energy: 0.4347661503551055
Energy: 0.4108400682107044
Energy: 0.4087083588464184
Energy: 0.41004979713896333
Energy: 0.38866500094389594
Energy: 0.4100497971383404
Energy: 0.3887319747412492
Energy: 0.4090433758870099
Energy: 0.4088966941660642
Energy: 0.4090433758870099

minimum gb energy = 0.38866500094389594 eV
minimum distance =  2.51251190959505 Angstroms
sigma value = 1


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

Energy: 0.7306404752380915
Energy: 0.4134055743242117
Energy: 0.43560687708548157
Energy: 0.43489771701290947
Energy: 0.45660823249840965
Energy: 0.4543539146673748
Energy: 0.43436444107531624
Energy: 0.4543539146673748
Energy: 0.4361861959233947
Energy: 0.4347985014599623
Energy: 0.43954603158459893
Energy: 0.4347985014599623
Energy: 0.43440871255715363
Energy: 0.435454459104069
Energy: 0.4342267479456895
Energy: 0.43545445910477926
Energy: 0.4391314952904515
Energy: 0.43594619439980165
Energy: 0.43480950302700083
Energy: 0.43594619439980165
Energy: 0.433725456203127
Energy: 0.4901161924582422
Energy: 0.4342892642392799
Energy: 0.4901161924582422
Energy: 0.4344101908731757
Energy: 0.5097105036917382
Energy: 0.4402085072593456
Energy: 0.5097105036917382
Energy: 0.43573045426627954
Energy: 0.48819423156133507
Energy: 0.4418889714439598
Energy: 0.48819423156133507
Energy: 0.4391270547143284
Energy: 0.5115557045931552
Energy: 0.4105439103525559
Energy: 0.5115557045938656
Energy: 0.4406668670349915
Energy: 0.5110949285326877
Energy: 0.43880966392082477
Energy: 0.5110949285326877
Energy: 0.46228208417624894
Energy: 0.4915342691562188
Energy: 0.43396153066418547
Energy: 0.4915342691562188
Energy: 0.45947524904523535
Energy: 0.5104516647511098
Energy: 0.43395317037104697
Energy: 0.5104516647511098
Energy: 0.435246820707471
Energy: 0.43586140709174404
Energy: 0.46238608642980816
Energy: 0.4358614070924543
Energy: 0.43466938729518567
Energy: 0.43534211121211974
Energy: 0.41079716437571384
Energy: 0.43534211121211974
Energy: 0.4109140531235702
Energy: 0.43416677616065946
Energy: 0.43470715365654944
Energy: 0.43416677616065946
Energy: 0.45637017385842843
Energy: 0.4340700796826633
Energy: 0.43428395175524415
Energy: 0.4340700796826633
Energy: 0.435462474454876
Energy: 0.4349277292960759
Energy: 0.4391414718999521
Energy: 0.4349277292960759
Energy: 0.4342517188861764
Energy: 0.4338615584486772
Energy: 0.4341131916465506
Energy: 0.4338615584486772
Energy: 0.43878314746685926
Energy: 0.4340505931890647
Energy: 0.43522240023291187
Energy: 0.4340505931890647
Energy: 0.4340097653074446
Energy: 0.4354290506433923
Energy: 0.43458629654816777
Energy: 0.4354290506433923
Energy: 0.43402248722763953
Energy: 0.5098797621963768
Energy: 0.43993221848703934
Energy: 0.5098797621963768
Energy: 0.43433575021110266
Energy: 0.48887727692136146
Energy: 0.4392803740493982
Energy: 0.48887727692136146
Energy: 0.43892900994190176
Energy: 0.5109990085796928
Energy: 0.4136124467227079
Energy: 0.5109990085796928
Energy: 0.4396990082022727
Energy: 0.5106164643948157
Energy: 0.43862778790349527
Energy: 0.5106164643948157
Energy: 0.46245003800892265
Energy: 0.49217272131766787
Energy: 0.43445159878854195
Energy: 0.49217272131766787
Energy: 0.46241063785941716
Energy: 0.4891617460956697
Energy: 0.43383609617011853
Energy: 0.4891617460956697
Energy: 0.43631021276498655
Energy: 0.43652503294266903
Energy: 0.4625520327806422
Energy: 0.43652503294266903
Energy: 0.4343657630885603
Energy: 0.43552686664122064
Energy: 0.41087616657103654
Energy: 0.43552686664122064
Energy: 0.4107292739086808
Energy: 0.4340530209080592
Energy: 0.4342974476771485
Energy: 0.4340530209080592

minimum gb energy = 0.4105439103525559 eV
minimum distance =  2.51173397271429 Angstroms
sigma value = 25


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

Energy: 0.7026424233415686
Energy: 0.43840374537535004
Energy: 0.46463534271653784
Energy: 0.4641257949297366
Energy: 0.49037372246711913
Energy: 0.48388334246551445
Energy: 0.4649635112163605
Energy: 0.48388334246551445
Energy: 0.4644701155349367
Energy: 0.4642545026863587
Energy: 0.443604633403903
Energy: 0.4642545026863587
Energy: 0.46453229516407396
Energy: 0.46920690918003405
Energy: 0.4647384369359074
Energy: 0.46920690918003405
Energy: 0.4429154011430167
Energy: 0.46742012090998275
Energy: 0.4652973722989475
Energy: 0.46742012090998275
Energy: 0.4642912712023726
Energy: 0.46498841098002647
Energy: 0.46496917201381904
Energy: 0.46498841098002647
Energy: 0.4646343790059289
Energy: 0.5291189294000896
Energy: 0.46410245031177366
Energy: 0.5291189294000896
Energy: 0.4647880155532479
Energy: 0.5273234068867725
Energy: 0.4426435064708164
Energy: 0.5273234068867725
Energy: 0.4646170668699997
Energy: 0.5314324431317855
Energy: 0.4358471854297576
Energy: 0.5314324431317855
Energy: 0.4641793832941243
Energy: 0.5305207956224492
Energy: 0.46514788244322763
Energy: 0.5305207956224492
Energy: 0.435710092522594
Energy: 0.4672151352244187
Energy: 0.46677463229528915
Energy: 0.4672151352244187
Energy: 0.4358457281374936
Energy: 0.4671936181315427
Energy: 0.4653776094479324
Energy: 0.4671936181315427
Energy: 0.463752789850446
Energy: 0.46368410214986294
Energy: 0.4359628117422249
Energy: 0.46368410214986294
Energy: 0.47017195532494016
Energy: 0.46450414849641936
Energy: 0.49037933443444653
Energy: 0.46450414849641936
Energy: 0.4440067130056117
Energy: 0.46425019792497135
Energy: 0.46438560295365205
Energy: 0.46425019792497135
Energy: 0.46552143261173556
Energy: 0.46427012478144275
Energy: 0.464143775330299
Energy: 0.46427012478144275
Energy: 0.46495256282803044
Energy: 0.46485912618880787
Energy: 0.44255466381930375
Energy: 0.46485912618880787
Energy: 0.4649790713502568
Energy: 0.4683170307226455
Energy: 0.4641775619515714
Energy: 0.4683170307226455
Energy: 0.4639729826758549
Energy: 0.5473245021355663
Energy: 0.4640959562074072
Energy: 0.5473245021355663
Energy: 0.44313621127757175
Energy: 0.5277267626089913
Energy: 0.4641930233902446
Energy: 0.5277267626089913
Energy: 0.43564107893356413
Energy: 0.5316303579186281
Energy: 0.4644769863988653
Energy: 0.5316303579186281
Energy: 0.43601033349026475
Energy: 0.5310617620727435
Energy: 0.4639155012031323
Energy: 0.5310617620719178
Energy: 0.4674112879417873
Energy: 0.4673724692203158
Energy: 0.4357004768521296
Energy: 0.4673724692194901
Energy: 0.46522931182403593
Energy: 0.4673190016379168
Energy: 0.4358514538681589
Energy: 0.4673190016379168
Energy: 0.4358567234007875
Energy: 0.4636422721789842
Energy: 0.4641001481719216
Energy: 0.4636422721789842

minimum gb energy = 0.43564107893356413 eV
minimum distance =  2.52058069614456 Angstroms
sigma value = 9


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

Energy: 0.7076535637506665
Energy: 0.4861902367620198
Energy: 0.5047631250841011
Energy: 0.5045282631043218
Energy: 0.5253933715613941
Energy: 0.5230560936906576
Energy: 0.5041699925831208
Energy: 0.5230560936906576
Energy: 0.5051189080386596
Energy: 0.504543068844184
Energy: 0.5203333130107061
Energy: 0.504543068844184
Energy: 0.5047846092007194
Energy: 0.52355644133572
Energy: 0.49933813058640153
Energy: 0.52355644133572
Energy: 0.4921091777737145
Energy: 0.5087426348431892
Energy: 0.5020252353704338
Energy: 0.5087426348431892
Energy: 0.5118491803757667
Energy: 0.5022520829196678
Energy: 0.5028405260780374
Energy: 0.5022520829196678
Energy: 0.5286428329117256
Energy: 0.5791771243648374
Energy: 0.48177120953953334
Energy: 0.5791771243648374
Energy: 0.5342218352028292
Energy: 0.5696129994504309
Energy: 0.5257572809313967
Energy: 0.5696129994504309
Energy: 0.5367306208622781
Energy: 0.537649181265992
Energy: 0.48393836625495
Energy: 0.537649181265992
Energy: 0.5324189458620843
Energy: 0.5412337158757211
Energy: 0.4838572107764029
Energy: 0.5412337158757211
Energy: 0.46356158782797574
Energy: 0.4636605548161343
Energy: 0.4709511860724897
Energy: 0.4636605548161343
Energy: 0.5351522912408492
Energy: 0.46356668710010407
Energy: 0.4709912523011434
Energy: 0.46356668710010407
Energy: 0.5285671141911451
Energy: 0.5284358175950066
Energy: 0.5202743573241997
Energy: 0.5284358175950066
Energy: 0.5280934257798788
Energy: 0.5418554371631248
Energy: 0.5231467458698903
Energy: 0.5418554371631248
Energy: 0.49223914879774283
Energy: 0.5164359787537739
Energy: 0.47154213710809434
Energy: 0.5164359787537739
Energy: 0.5186229390341065
Energy: 0.5162643577356342
Energy: 0.47155604023611736
Energy: 0.5162643577356342
Energy: 0.529360459116168
Energy: 0.5843850769414286
Energy: 0.5000203099652438
Energy: 0.5843850769414286
Energy: 0.5293118287703207
Energy: 0.5816467467855337
Energy: 0.5275205936844132
Energy: 0.5816467467855337
Energy: 0.510077013029338
Energy: 0.5108960306888585
Energy: 0.48388068400491485
Energy: 0.5108960306888585
Energy: 0.5088127556698674
Energy: 0.5106584017937226
Energy: 0.48405382140093955
Energy: 0.5106584017937226
Energy: 0.4846920219781979
Energy: 0.5044373658979102
Energy: 0.5050379577385496
Energy: 0.5044373658979102

minimum gb energy = 0.46356158782797574 eV
minimum distance =  2.51265073484505 Angstroms
sigma value = 25


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

Energy: 0.5968742760741463
Energy: 0.5032266299402239
Energy: 0.5407371525261749
Energy: 0.5406103511165818
Energy: 0.5388148438316744
Energy: 0.5372009734101754
Energy: 0.5505918578401524
Energy: 0.5372009734101754
Energy: 0.5401397688265805
Energy: 0.5404537400139551
Energy: 0.5467633061568424
Energy: 0.5404537400139551
Energy: 0.5404921172512415
Energy: 0.537515695826126
Energy: 0.5130020087594308
Energy: 0.537515695826126
Energy: 0.5459635614569268
Energy: 0.5750194778558517
Energy: 0.5133092299979786
Energy: 0.5750194778558517
Energy: 0.4990716263514261
Energy: 0.5122534868715585
Energy: 0.5116614594457751
Energy: 0.5122534868679041
Energy: 0.49668884786392153
Energy: 0.5748810130460653
Energy: 0.512057910196765
Energy: 0.5748810130460653
Energy: 0.4965859316718355
Energy: 0.5376220976309546
Energy: 0.5133485805489892
Energy: 0.5376220976309546
Energy: 0.5406115417291073
Energy: 0.5397235021678626
Energy: 0.5819493126406048
Energy: 0.5397235021678626
Energy: 0.5513607696625615
Energy: 0.5412652222540822
Energy: 0.5770648746902811
Energy: 0.5412652222540822
Energy: 0.5428176934849209
Energy: 0.5401650803119675
Energy: 0.54165754434432
Energy: 0.5401650803119675
Energy: 0.5409004874138367
Energy: 0.5417263064581899
Energy: 0.5395089918038881
Energy: 0.5417263064581899
Energy: 0.511880389015534
Energy: 0.5773299802502109
Energy: 0.510492961093652
Energy: 0.577329980251429
Energy: 0.5130324286932992
Energy: 0.5748794258143652
Energy: 0.4997812385394388
Energy: 0.5748794258143652
Energy: 0.5475192394845094
Energy: 0.5489627593989274
Energy: 0.496717038771027
Energy: 0.5489627593989274
Energy: 0.5120801283928739
Energy: 0.5747901380882003
Energy: 0.49696533588107916
Energy: 0.5747901380882003
Energy: 0.5790268920360696
Energy: 0.5406195468625189
Energy: 0.541417200416115
Energy: 0.5406195468625189

minimum gb energy = 0.4965859316718355 eV
minimum distance =  2.53775986045094 Angstroms
sigma value = 17


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

Energy: 0.7962390044401224
Energy: 0.5626881867681411
Energy: 0.5901510970889069
Energy: 0.5887937210742568
Energy: 0.5132722734399565
Energy: 0.5446320088665133
Energy: 0.5652340652015111
Energy: 0.5446320088658234
Energy: 0.537378747189235
Energy: 0.5360526031299553
Energy: 0.5911476901435255
Energy: 0.5360526031299553
Energy: 0.5367815491454255
Energy: 0.5449290223953551
Energy: 0.5353069076467558
Energy: 0.5449290223953551
Energy: 0.5373221596253882
Energy: 0.5958758606925847
Energy: 0.5136553792342311
Energy: 0.5958758606925847
Energy: 0.5373911419194611
Energy: 0.5758596004085771
Energy: 0.5365076830804426
Energy: 0.5758596004085771
Energy: 0.5561816401732512
Energy: 0.5355476789629553
Energy: 0.5367482429962269
Energy: 0.5355476789629553
Energy: 0.6160066483123552
Energy: 0.535205208385945
Energy: 0.5230360496571104
Energy: 0.535205208385945
Energy: 0.5903765944026949
Energy: 0.5865590385586694
Energy: 0.5888737633787253
Energy: 0.5865590385593592
Energy: 0.5891715139243294
Energy: 0.5867099676813146
Energy: 0.5665021859674405
Energy: 0.5867099676813146
Energy: 0.5357531049226719
Energy: 0.5247372831144271
Energy: 0.5224466087989726
Energy: 0.5247372831144271
Energy: 0.5890931247976295
Energy: 0.5420556356600483
Energy: 0.5259664645396376
Energy: 0.5420556356600483
Energy: 0.5561753695180749
Energy: 0.5426675651795998
Energy: 0.5423373340653458
Energy: 0.5426675651802897
Energy: 0.5575442909499748
Energy: 0.5423838862376342
Energy: 0.5231596533074552
Energy: 0.5423838862376342
Energy: 0.5868528801270587
Energy: 0.5865371093762374
Energy: 0.617895332612636
Energy: 0.5865371093762374
Energy: 0.5945656738118517
Energy: 0.5865752484553226
Energy: 0.6155333184780302
Energy: 0.5865752484553226
Energy: 0.5893261040196663
Energy: 0.5356578082147477
Energy: 0.5367455652301647
Energy: 0.5356578082154376
Energy: 0.5882150907673691
Energy: 0.5354554090189199
Energy: 0.5364227380289798
Energy: 0.5354554090189199
Energy: 0.538859772714943
Energy: 0.5960057899551795
Energy: 0.5367024141109735
Energy: 0.5960057899551795
Energy: 0.5699397057571026
Energy: 0.5963297947861977
Energy: 0.5367294469073933
Energy: 0.5963297947861977
Energy: 0.5377895449754605
Energy: 0.5360301220602931
Energy: 0.6146052777332607
Energy: 0.5360301220602931
Energy: 0.535802804627221
Energy: 0.5372761940351087
Energy: 0.5575690535983809
Energy: 0.5372761940351087
Energy: 0.5662751892608534
Energy: 0.5867566434391179
Energy: 0.5671105413844765
Energy: 0.5867566434391179
Energy: 0.5907626375674986
Energy: 0.5864940884805576
Energy: 0.5882821030410106
Energy: 0.5864940884805576
Energy: 0.5260574700926047
Energy: 0.5430742526927189
Energy: 0.5877248549688822
Energy: 0.5430742526927189
Energy: 0.5260215518128433
Energy: 0.5419787266217161
Energy: 0.5365047978274846
Energy: 0.5419787266217161
Energy: 0.5222279090318314
Energy: 0.523548302986661
Energy: 0.5581203965488348
Energy: 0.523548302986661
Energy: 0.5268609784631985
Energy: 0.5401659400144145
Energy: 0.5574394611518325
Energy: 0.5401659400144145
Energy: 0.5259806539962882
Energy: 0.5416403306851462
Energy: 0.5564095323727948
Energy: 0.5416403306851462
Energy: 0.6145575854326183
Energy: 0.5866947300487586
Energy: 0.5889668957689836
Energy: 0.5866947300487586

minimum gb energy = 0.5132722734399565 eV
minimum distance =  2.5047973257326 Angstroms
sigma value = 53


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

Energy: 0.7384312052721638
Energy: 0.5086627799892811
Energy: 0.5699318880502231
Energy: 0.5655619871104581
Energy: 0.6199144029905823
Energy: 0.536649173101804
Energy: 0.5632686607461457
Energy: 0.536649173101804
Energy: 0.566424689492286
Energy: 0.5643556336952386
Energy: 0.5674638371156707
Energy: 0.5643556336952386
Energy: 0.5650802073023687
Energy: 0.5368228651097339
Energy: 0.5623638734044807
Energy: 0.5368228651097339
Energy: 0.564945650980472
Energy: 0.5364038001344252
Energy: 0.5002431070724163
Energy: 0.5364038001344252
Energy: 0.5618044884390491
Energy: 0.5404214363357773
Energy: 0.5126656848129203
Energy: 0.5404214363357773
Energy: 0.6198543431179934
Energy: 0.5623059687667881
Energy: 0.5628000297293204
Energy: 0.5623059687667881
Energy: 0.6226270014516581
Energy: 0.5619422868957816
Energy: 0.5618199105529094
Energy: 0.5619422868957816
Energy: 0.5649275997392481
Energy: 0.5630919015830786
Energy: 0.5676174479078014
Energy: 0.5630919015830786
Energy: 0.5616719533966066
Energy: 0.5629310553497386
Energy: 0.5638693299456792
Energy: 0.5629310553497386
Energy: 0.5651947734012781
Energy: 0.5393671537856551
Energy: 0.512833529862662
Energy: 0.5393671537856551
Energy: 0.563898513364541
Energy: 0.5364123380158635
Energy: 0.5014452621347362
Energy: 0.5364123380158635
Energy: 0.6226502850687213
Energy: 0.5616112752870988
Energy: 0.5616128598675465
Energy: 0.5616112752855104

minimum gb energy = 0.5002431070724163 eV
minimum distance =  2.55127977391102 Angstroms
sigma value = 9


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

Energy: 0.7117833728207983
Energy: 0.5839200045697907
Energy: 0.6245399456741287
Energy: 0.6236445878558429
Energy: 0.5611500662043739
Energy: 0.5390802761671255
Energy: 0.6188326370359457
Energy: 0.5390802761671255
Energy: 0.5438358475488572
Energy: 0.5398225950808186
Energy: 0.611509731551621
Energy: 0.5398225950808186
Energy: 0.5417057347712869
Energy: 0.5394760551166397
Energy: 0.6436152413625755
Energy: 0.5394760551166397
Energy: 0.5392324420229408
Energy: 0.5388105585965707
Energy: 0.6493180034310506
Energy: 0.5388105585965707
Energy: 0.5391561361370161
Energy: 0.5388896534574772
Energy: 0.6511892905830793
Energy: 0.538889653458065
Energy: 0.6201617675695084
Energy: 0.611547281776856
Energy: 0.6178635797409712
Energy: 0.611547281776856
Energy: 0.6192771017579725
Energy: 0.610597629552584
Energy: 0.6115071011219595
Energy: 0.610597629552584
Energy: 0.558228760409513
Energy: 0.5830300837789274
Energy: 0.5741902609773338
Energy: 0.5830300837789274
Energy: 0.5408710725370708
Energy: 0.5764150274564677
Energy: 0.6132235713996018
Energy: 0.5764150274564677
Energy: 0.5560051791975539
Energy: 0.5563632178132394
Energy: 0.5769941015297418
Energy: 0.5563632178132394
Energy: 0.5652262299407822
Energy: 0.5569806160040494
Energy: 0.6445515318182624
Energy: 0.5569806160040494
Energy: 0.6182600660083706
Energy: 0.5562448290844891
Energy: 0.5670406200810233
Energy: 0.5562448290844891
Energy: 0.6203169779203703
Energy: 0.5572216962657331
Energy: 0.5586710319786009
Energy: 0.5572216962651453
Energy: 0.610155773566696
Energy: 0.5651739345753048
Energy: 0.5633719104275371
Energy: 0.5651739345753048
Energy: 0.5796868236798847
Energy: 0.6043503923793742
Energy: 0.5642043898620938
Energy: 0.6043503923793742
Energy: 0.6135098432068308
Energy: 0.5858008531507144
Energy: 0.5587960686329344
Energy: 0.5858008531507144
Energy: 0.6200152056664543
Energy: 0.6114339715878296
Energy: 0.6453343465996496
Energy: 0.6114339715878296
Energy: 0.618920351526167
Energy: 0.5387647377630969
Energy: 0.5617825663320293
Energy: 0.5387647377630969
Energy: 0.6122233917049785
Energy: 0.5410402674282696
Energy: 0.5449069699007408
Energy: 0.5410402674282696
Energy: 0.6514782514466728
Energy: 0.5393413664926519
Energy: 0.5399297117684917
Energy: 0.5393413664926519
Energy: 0.6507533614343092
Energy: 0.5386376489812651
Energy: 0.5389657527284263
Energy: 0.5386376489812651
Energy: 0.6434807960722336
Energy: 0.5390298661082837
Energy: 0.5392774799053753
Energy: 0.5390298661082837
Energy: 0.6183420393954886
Energy: 0.6109157636465293
Energy: 0.6204493160954293
Energy: 0.6109157636465293
Energy: 0.6117130444723727
Energy: 0.6108004681406266
Energy: 0.6192582149183693
Energy: 0.6108004681406266
Energy: 0.5725288430515181
Energy: 0.5900152552629389
Energy: 0.557377386503821
Energy: 0.5900152552629389
Energy: 0.6137197175902579
Energy: 0.581637484413668
Energy: 0.5410449882676861
Energy: 0.581637484413668
Energy: 0.5777958174877275
Energy: 0.5567682958925864
Energy: 0.5564591214144484
Energy: 0.5567682958925864
Energy: 0.6442045563459176
Energy: 0.5623792763363863
Energy: 0.5658456210594526
Energy: 0.5623792763363863
Energy: 0.567123778528528
Energy: 0.5563832213666496
Energy: 0.6195054973159085
Energy: 0.5563832213666496
Energy: 0.5599944975421758
Energy: 0.5575371524503437
Energy: 0.6115301516389897
Energy: 0.5575371524503437
Energy: 0.5642914322095804
Energy: 0.5644046167532384
Energy: 0.6104813116136074
Energy: 0.5644046167526505
Energy: 0.5636229280253332
Energy: 0.6061655705315154
Energy: 0.5778149786977279
Energy: 0.6061655705309276
Energy: 0.5580457947638552
Energy: 0.587539531829313
Energy: 0.5806487333552678
Energy: 0.587539531829313
Energy: 0.6455576863121633
Energy: 0.611509548937672
Energy: 0.6152398776028208
Energy: 0.611509548937672

minimum gb energy = 0.5386376489812651 eV
minimum distance =  2.50096693606058 Angstroms
sigma value = 73


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

Energy: 0.7621703622203926
Energy: 0.563031633818471
Energy: 0.6081583782503565
Energy: 0.6077435974469336
Energy: 0.5624975289196262
Energy: 0.5425769425609157
Energy: 0.5911834682537483
Energy: 0.5425769425609157
Energy: 0.5449137167797156
Energy: 0.54328780414342
Energy: 0.6054260186459203
Energy: 0.54328780414342
Energy: 0.5432631508125301
Energy: 0.5430882356644375
Energy: 0.6352424984181189
Energy: 0.5430882356644375
Energy: 0.5438735681048079
Energy: 0.5421704081231064
Energy: 0.6147852135085722
Energy: 0.5421704081231064
Energy: 0.5714249232018235
Energy: 0.542352346638452
Energy: 0.614864475025359
Energy: 0.542352346638452
Energy: 0.5934940847573786
Energy: 0.6031703819712341
Energy: 0.6128676694607356
Energy: 0.6031703819712341
Energy: 0.5695575292749813
Energy: 0.6026543385127189
Energy: 0.6028517737674207
Energy: 0.6026543385127189
Energy: 0.562710464017567
Energy: 0.6057617382612674
Energy: 0.6030884919885455
Energy: 0.6057617382622
Energy: 0.5732716163832318
Energy: 0.6212323278442886
Energy: 0.6038991411857438
Energy: 0.6212323278442886
Energy: 0.5676476402175513
Energy: 0.532022819824894
Energy: 0.5603068195998463
Energy: 0.532022819824894
Energy: 0.5636315669555464
Energy: 0.5332288978089996
Energy: 0.6331541547364045
Energy: 0.5332288978089996
Energy: 0.6045764516928296
Energy: 0.5631267832226425
Energy: 0.5593903225564275
Energy: 0.5631267832226425
Energy: 0.6055216881208038
Energy: 0.5618469220786669
Energy: 0.5577061730430396
Energy: 0.5618469220786669
Energy: 0.6120156054805196
Energy: 0.5580064880651984
Energy: 0.5577474356951037
Energy: 0.5580064880651984
Energy: 0.638722978678696
Energy: 0.5569367770225321
Energy: 0.5578989448386414
Energy: 0.5569367770225321
Energy: 0.61511098005446
Energy: 0.5593213889671015
Energy: 0.5591271096450132
Energy: 0.5593213889671015
Energy: 0.5970333535516795
Energy: 0.5957907123389181
Energy: 0.5836796563951485
Energy: 0.5957907123389181
Energy: 0.5892691715245997
Energy: 0.5894018451848897
Energy: 0.5708970338999988
Energy: 0.589401845183957
Energy: 0.5966651975690984
Energy: 0.5844078911293772
Energy: 0.586456950277582
Energy: 0.5844078911293772
Energy: 0.5888601684289341
Energy: 0.5836728671673949
Energy: 0.5623127671047722
Energy: 0.5836728671673949
Energy: 0.6166452673416946
Energy: 0.5858646466194729
Energy: 0.5869982496263548
Energy: 0.5858646466194729

minimum gb energy = 0.532022819824894 eV
minimum distance =  2.48643320800215 Angstroms
sigma value = 7


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

Energy: 0.6290074592863318
Energy: 0.5496593959071956
Energy: 0.6119797340967545
Energy: 0.6119240918302851
Energy: 0.5843074877443278
Energy: 0.5865405274276215
Energy: 0.5960677254394128
Energy: 0.5865405274276215
Energy: 0.5452464471019808
Energy: 0.5462248349996311
Energy: 0.5940140538994204
Energy: 0.5462248349996311
Energy: 0.5453189382246593
Energy: 0.5454856960191541
Energy: 0.6377754572457353
Energy: 0.5454856960191541
Energy: 0.5445640606657631
Energy: 0.5431590071563053
Energy: 0.6324704470404788
Energy: 0.5431590071563053
Energy: 0.5473086034268
Energy: 0.5434612118617215
Energy: 0.6314572277945606
Energy: 0.5434612118617215
Energy: 0.5903013246451791
Energy: 0.543799645695299
Energy: 0.5470146725859222
Energy: 0.543799645695299
Energy: 0.5956499984958981
Energy: 0.5437144690031613
Energy: 0.5444245992606952
Energy: 0.5437144690031613
Energy: 0.5884322123714103
Energy: 0.5460741627263914
Energy: 0.5477385951270165
Energy: 0.546074162725732
Energy: 0.6310559004697047
Energy: 0.6203641624099909
Energy: 0.5441639912913918
Energy: 0.6203641624099909
Energy: 0.5911209818829433
Energy: 0.5855117078770695
Energy: 0.5478445415611528
Energy: 0.5855117078770695
Energy: 0.5897179181840676
Energy: 0.5868476035039459
Energy: 0.5912750762031409
Energy: 0.5868476035039459
Energy: 0.5871501267301031
Energy: 0.588004954176529
Energy: 0.5877242095396809
Energy: 0.588004954176529
Energy: 0.5924967372879201
Energy: 0.5766179330057122
Energy: 0.5491780854793566
Energy: 0.5766179330057122
Energy: 0.5881810460668828
Energy: 0.589673515528828
Energy: 0.550475100593211
Energy: 0.589673515528828
Energy: 0.5504316652287912
Energy: 0.5865081051443418
Energy: 0.5906927239646824
Energy: 0.5865081051443418
Energy: 0.5540828810279977
Energy: 0.5852046991907618
Energy: 0.5910130079972922
Energy: 0.5852046991907618
Energy: 0.5437807750527072
Energy: 0.6199482055577892
Energy: 0.5940091284932518
Energy: 0.6199482055577892
Energy: 0.5481705415980714
Energy: 0.5460969058707948
Energy: 0.5916450203551259
Energy: 0.5460969058707948
Energy: 0.54413232006679
Energy: 0.543312265023629
Energy: 0.5516228078054701
Energy: 0.543312265023629
Energy: 0.5469759852969022
Energy: 0.543759593549458
Energy: 0.6354765873108827
Energy: 0.543759593549458
Energy: 0.591468971069556
Energy: 0.5436675567042188
Energy: 0.547342985796009
Energy: 0.5436675567042188
Energy: 0.5908547863827859
Energy: 0.5432743452311413
Energy: 0.5446800529694186
Energy: 0.5432743452311413
Energy: 0.6360529214842986
Energy: 0.5451382347422288
Energy: 0.5456236970249619
Energy: 0.5451382347422288
Energy: 0.6295331340032458
Energy: 0.5461143390048169
Energy: 0.5470145505436297
Energy: 0.5461143390048169
Energy: 0.6244443262003031
Energy: 0.5866726915885736
Energy: 0.5449842340060767
Energy: 0.5866726915885736
Energy: 0.5911914883763736
Energy: 0.5911327095908286
Energy: 0.7734835177737927
Energy: 0.5911327095908286
Energy: 0.586360766618769
Energy: 0.5863983499912857
Energy: 0.5904162238701935
Energy: 0.5863983499912857
Energy: 0.5928386682802019
Energy: 0.5779893112544898
Energy: 0.590210739861624
Energy: 0.5779893112544898
Energy: 0.5865991248587131
Energy: 0.593959114778289
Energy: 0.5490401028882923
Energy: 0.593959114778289
Energy: 0.6012896702294289
Energy: 0.5854914562819888
Energy: 0.5874670922748667
Energy: 0.5854914562819888

minimum gb energy = 0.5431590071563053 eV
minimum distance =  2.494694789917 Angstroms
sigma value = 29


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

Energy: 0.5226337808880788
Energy: 0.523110602080511
Energy: 0.5817585262821494
Energy: 0.6183675283633149
Energy: 0.5248358808168595
Energy: 0.5617682639496027
Energy: 0.5253373334435177
Energy: 0.5617682639496027
Energy: 0.5241709708701539
Energy: 0.5588211870933708
Energy: 0.5206190344672484
Energy: 0.5588211870933708
Energy: 0.521644309193743
Energy: 0.5226744903134078
Energy: 0.5248173986290067
Energy: 0.5226744903134078
Energy: 0.5254815489550009
Energy: 0.5272825295415949
Energy: 0.5180584482180004
Energy: 0.5272825295413652
Energy: 0.5247758080483027
Energy: 0.5612358056589248
Energy: 0.5184692564432218
Energy: 0.5612358056587206
Energy: 0.5180873600857054
Energy: 0.5590868233168244
Energy: 0.524344254705732
Energy: 0.5590868233168244
Energy: 0.5258951624305306
Energy: 0.5258418331175451
Energy: 0.5239357109525766
Energy: 0.5258418331177747
Energy: 0.5250698211545782
Energy: 0.5261115736550259
Energy: 0.525497086184861
Energy: 0.5261115736552556

minimum gb energy = 0.5180584482180004 eV
minimum distance =  2.53360671975981 Angstroms
sigma value = 5


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

Energy: 0.7111969072747242
Energy: 0.4913978146782944
Energy: 0.5782992007103412
Energy: 0.5761922161941391
Energy: 0.5141300472759259
Energy: 0.502151131984131
Energy: 0.5859093540279268
Energy: 0.502151131984131
Energy: 0.584281374101458
Energy: 0.5387360419822093
Energy: 0.5956144378313717
Energy: 0.5387360419822093
Energy: 0.5114244633838743
Energy: 0.5006600099136506
Energy: 0.580076113700305
Energy: 0.5006600099136506
Energy: 0.579183861033017
Energy: 0.5004423395683036
Energy: 0.5925092420907185
Energy: 0.5004423395683036
Energy: 0.5004504376248115
Energy: 0.5005633906560748
Energy: 0.5820809318933883
Energy: 0.5005633906554519
Energy: 0.5005500282997483
Energy: 0.5007637341334821
Energy: 0.5803233765065706
Energy: 0.5007637341334821
Energy: 0.5073270197281157
Energy: 0.5033330829964423
Energy: 0.6773550911291683
Energy: 0.5033330829964423
Energy: 0.5166556965681759
Energy: 0.521087280123294
Energy: 0.6496964890530108
Energy: 0.521087280123294
Energy: 0.5958255831994436
Energy: 0.4926893590356922
Energy: 0.49403952068183193
Energy: 0.4926893590356922
Energy: 0.5143868463598334
Energy: 0.49019469841549895
Energy: 0.4921231244997638
Energy: 0.490194698414876
Energy: 0.6704354777212992
Energy: 0.4889912225633691
Energy: 0.48965177647653446
Energy: 0.4889912225633691
Energy: 0.6750247681217562
Energy: 0.4896513610639157
Energy: 0.49028497636978735
Energy: 0.4896513610639157
Energy: 0.5123100656620556
Energy: 0.5154949506032998
Energy: 0.5933032179702805
Energy: 0.5154949506032998
Energy: 0.5019155135673232
Energy: 0.5004943382532949
Energy: 0.5942350839911952
Energy: 0.5004943382532949
Energy: 0.5054396374218847
Energy: 0.5013463383775486
Energy: 0.5795900733612972
Energy: 0.5013463383775486
Energy: 0.5043150065844928
Energy: 0.5023571265219902
Energy: 0.5110507453928139
Energy: 0.5023571265213671
Energy: 0.585267171132788
Energy: 0.5050780586194387
Energy: 0.5152527295287397
Energy: 0.5050780586194387
Energy: 0.5954791619939273
Energy: 0.5401044932092465
Energy: 0.5862432847172117
Energy: 0.5401044932086234
Energy: 0.5803966634863076
Energy: 0.5008336982724454
Energy: 0.5111735131789733
Energy: 0.5008336982780522
Energy: 0.5820295014543253
Energy: 0.5007737976370974
Energy: 0.5793338001408991
Energy: 0.5007737976370974
Energy: 0.5929880858200013
Energy: 0.5003803911725963
Energy: 0.5005061044665591
Energy: 0.5003803911725963
Energy: 0.5797401489767048
Energy: 0.500542499806779
Energy: 0.5011093231188454
Energy: 0.500542499806779
Energy: 0.6456207352777082
Energy: 0.5015876919334162
Energy: 0.5049266705582884
Energy: 0.5015876919334162
Energy: 0.6503531026904544
Energy: 0.5161870034915664
Energy: 0.5148974129549532
Energy: 0.5161870034915664
Energy: 0.49253449621398787
Energy: 0.4918990069733217
Energy: 0.5960988025760189
Energy: 0.4918990069739447
Energy: 0.49308280717585246
Energy: 0.49156078351698973
Energy: 0.5164948261664841
Energy: 0.49156078351698973
Energy: 0.49040905168124405
Energy: 0.48953044137508805
Energy: 0.5207093031469073
Energy: 0.48953044137508805
Energy: 0.4896570449390968
Energy: 0.49037950450881523
Energy: 0.6512834924617551
Energy: 0.49037950450881523
Energy: 0.5945165553142587
Energy: 0.5152800024042341
Energy: 0.5130214039989635
Energy: 0.5152800024042341
Energy: 0.5944093052891669
Energy: 0.5007512621574106
Energy: 0.5024329870296869
Energy: 0.5007512621580336
Energy: 0.5796088025676831
Energy: 0.5005378549077475
Energy: 0.5025840771169942
Energy: 0.5005378549077475
Energy: 0.5113470239493498
Energy: 0.5010716949112389
Energy: 0.5028836282816107
Energy: 0.5010716949112389

minimum gb energy = 0.4889912225633691 eV
minimum distance =  2.50152513392161 Angstroms
sigma value = 1


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

Energy: 0.762274106717217
Energy: 0.45841460522288996
Energy: 0.5527040482962747
Energy: 0.4751229723955338
Energy: 0.4870390593590862
Energy: 0.4756602512174133
Energy: 0.5888274552259725
Energy: 0.4756602512174133
Energy: 0.5881538281296049
Energy: 0.5225880646846406
Energy: 0.5894119495395015
Energy: 0.5225880646846406
Energy: 0.48582364274866924
Energy: 0.523015212499407
Energy: 0.5831129291252655
Energy: 0.523015212499407
Energy: 0.4744753977608276
Energy: 0.4728307188747198
Energy: 0.5869870876276875
Energy: 0.47283071887558115
Energy: 0.47265187337203
Energy: 0.47298280503711687
Energy: 0.5882071095490604
Energy: 0.47298280503711687
Energy: 0.4719079952819777
Energy: 0.4732685734822355
Energy: 0.5833527752242953
Energy: 0.4732685734822355
Energy: 0.4785774948085056
Energy: 0.4762275539777667
Energy: 0.6772805931621803
Energy: 0.4762275539777667
Energy: 0.5864092533996131
Energy: 0.4972774138286977
Energy: 0.6805502616364947
Energy: 0.4972774138286977
Energy: 0.5867129796039539
Energy: 0.4758972770496714
Energy: 0.4763029625923884
Energy: 0.4758972770496714
Energy: 0.5836873923753685
Energy: 0.47335081652509703
Energy: 0.47388453426703947
Energy: 0.47335081652509703
Energy: 0.6767473539109571
Energy: 0.4730044993089352
Energy: 0.4730385509709451
Energy: 0.4730044993080738
Energy: 0.6766718724413071
Energy: 0.47291036999657377
Energy: 0.47402562437071716
Energy: 0.47291036999657377
Energy: 0.5828498834003899
Energy: 0.5224236422346183
Energy: 0.5888657025115681
Energy: 0.5224236422346183
Energy: 0.48768718448019666
Energy: 0.5219632587920142
Energy: 0.5881292537531074
Energy: 0.5219632587920142
Energy: 0.49074140291157214
Energy: 0.4734472980916764
Energy: 0.584712714822295
Energy: 0.4734472980916764
Energy: 0.4738447146072382
Energy: 0.4736842560220959
Energy: 0.5869141142930309
Energy: 0.4736842560229573
Energy: 0.47541496264058064
Energy: 0.4763981711327506
Energy: 0.5833680112607472
Energy: 0.4763981711327506
Energy: 0.4721163332332792
Energy: 0.47440885791798443
Energy: 0.680129819882565
Energy: 0.47440885791798443
Energy: 0.4731378354314953
Energy: 0.47668763807152104
Energy: 0.6774549452137912
Energy: 0.47668763807152104
Energy: 0.5857636130853721
Energy: 0.4958468406445901
Energy: 0.5842338949576931
Energy: 0.4958468406445901
Energy: 0.5869871630923417
Energy: 0.47359665733701134
Energy: 0.475689833652791
Energy: 0.47359665733701134
Energy: 0.5837902105428264
Energy: 0.47286851433411814
Energy: 0.4747418672131207
Energy: 0.47286851433411814
Energy: 0.6766901538443593
Energy: 0.4729923507151883
Energy: 0.47372968006474603
Energy: 0.4729923507151883

minimum gb energy = 0.45841460522288996 eV
minimum distance =  2.51172071506326 Angstroms
sigma value = 17


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

Energy: 0.628987000645848
Energy: 0.4593826747747933
Energy: 0.5554320981429229
Energy: 0.555129296057016
Energy: 0.4767472664860767
Energy: 0.46906945254266746
Energy: 0.5434027163864886
Energy: 0.46906945254266746
Energy: 0.6010789518002353
Energy: 0.5644943781114508
Energy: 0.5431640991946152
Energy: 0.5644943781114508
Energy: 0.608446297137895
Energy: 0.49193403274914027
Energy: 0.5383044324440541
Energy: 0.4919340327496726
Energy: 0.5308259434694171
Energy: 0.45907929185289037
Energy: 0.6109112621748691
Energy: 0.45907929185289037
Energy: 0.4594644064614603
Energy: 0.4586768481552167
Energy: 0.6125661097334363
Energy: 0.4586768481552167
Energy: 0.45898251785973465
Energy: 0.45885249175985493
Energy: 0.47778041095465856
Energy: 0.45885249175985493
Energy: 0.4622168620710253
Energy: 0.4606458411450971
Energy: 0.6074307025957811
Energy: 0.4606458411450971
Energy: 0.6082977082730214
Energy: 0.4586780320524105
Energy: 0.6003687906773831
Energy: 0.4586780320524105
Energy: 0.550807884593559
Energy: 0.49424744688816175
Energy: 0.5397436490777839
Energy: 0.49424744688816175
Energy: 0.6063730427065721
Energy: 0.46750341743001717
Energy: 0.47571042991469403
Energy: 0.46750341743001717
Energy: 0.6102852028351693
Energy: 0.468143613634063
Energy: 0.5378008586519982
Energy: 0.468143613634063
Energy: 0.6150459096469736
Energy: 0.46799201258237005
Energy: 0.46821860577932084
Energy: 0.46799201258237005
Energy: 0.5435400469045465
Energy: 0.4672787647473582
Energy: 0.46741314453785615
Energy: 0.4672787647473582
Energy: 0.6049227510032605
Energy: 0.4686819341970738
Energy: 0.4722143329011927
Energy: 0.4686819341970738
Energy: 0.6164084091572319
Energy: 0.4677114280558504
Energy: 0.47080495362366626
Energy: 0.467711428055318
Energy: 0.468306581777883
Energy: 0.46957814784636936
Energy: 0.6050410505473354
Energy: 0.46957814784636936
Energy: 0.46790903215625734
Energy: 0.46727785998435006
Energy: 0.6079576755694237
Energy: 0.46727785998435006
Energy: 0.47027549769668475
Energy: 0.47128882396918326
Energy: 0.5984286359922609
Energy: 0.47128882396918326
Energy: 0.4687867156413421
Energy: 0.46792564387185515
Energy: 0.6082679152229443
Energy: 0.46792564387185515
Energy: 0.5439234610400839
Energy: 0.4680359920802481
Energy: 0.5312757860586946
Energy: 0.4680359920802481
Energy: 0.5422893904402772
Energy: 0.5653466051863073
Energy: 0.6025074080062919
Energy: 0.565346605185775
Energy: 0.5391546539984879
Energy: 0.4910486629083239
Energy: 0.6057971002209349
Energy: 0.4910486629083239
Energy: 0.612001991561087
Energy: 0.46149725300915473
Energy: 0.5307051481983007
Energy: 0.46149725300915473
Energy: 0.6103988648794856
Energy: 0.4586687372253769
Energy: 0.458831827891425
Energy: 0.45866873722484447
Energy: 0.5387630044877002
Energy: 0.4589851158670477
Energy: 0.46093746006306013
Energy: 0.4589851158670477
Energy: 0.6073802162864087
Energy: 0.4589132756588439
Energy: 0.4603768995977054
Energy: 0.4589132756588439
Energy: 0.539506390449384
Energy: 0.4602908905656108
Energy: 0.6098550311996743
Energy: 0.4602908905656108
Energy: 0.5436450057536062
Energy: 0.49576131108770893
Energy: 0.5496156415906774
Energy: 0.49576131108770893
Energy: 0.47589000842194096
Energy: 0.46728547714797086
Energy: 0.6057789824291091
Energy: 0.46728547714743845
Energy: 0.537890669615568
Energy: 0.4672580402768632
Energy: 0.6121759402398458
Energy: 0.4672580402768632
Energy: 0.46783087687800157
Energy: 0.46743386323130287
Energy: 0.6128951760920005
Energy: 0.46743386323130287
Energy: 0.46676380393939354
Energy: 0.4670928576443817
Energy: 0.5441813317334941
Energy: 0.4670928576443817
Energy: 0.47377964926798394
Energy: 0.4707517282397614
Energy: 0.6070199210723181
Energy: 0.4707517282397614
Energy: 0.545902496722301
Energy: 0.4828366992727553
Energy: 0.6154342226494297
Energy: 0.4828366992727553
Energy: 0.6055358885300421
Energy: 0.4717891961860877
Energy: 0.4681222400738208
Energy: 0.4717891961860877
Energy: 0.6060714277628657
Energy: 0.4678931921229102
Energy: 0.4688553821762167
Energy: 0.4678931921229102
Energy: 0.6004622615478765
Energy: 0.4679061714082698
Energy: 0.4682204349077009
Energy: 0.4679061714082698

minimum gb energy = 0.45866873722484447 eV
minimum distance =  2.50401970194012 Angstroms
sigma value = 89


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

Energy: 0.8686438991453711
Energy: 0.41960562086057324
Energy: 0.5163454808315083
Energy: 0.42366276437560063
Energy: 0.423929281825595
Energy: 0.4647600110951049
Energy: 0.4272611842713827
Energy: 0.4647600110951049
Energy: 0.4284790203720938
Energy: 0.4642450378578445
Energy: 0.431023395871776
Energy: 0.4642450378578445
Energy: 0.4211024246009122
Energy: 0.4608629081875665
Energy: 0.42210517788290536
Energy: 0.4608629081875665
Energy: 0.4216319969740789
Energy: 0.4220418475152033
Energy: 0.42913576145351695
Energy: 0.4220418475152033
Energy: 0.4242697940041014
Energy: 0.42163136801415096
Energy: 0.42844015235350813
Energy: 0.42163136801415096
Energy: 0.42201820662751177
Energy: 0.4212024234277829
Energy: 0.42276046071776135
Energy: 0.4212024234277829
Energy: 0.42202571693229896
Energy: 0.42558805118647813
Energy: 0.42104742538672224
Energy: 0.42558805118647813
Energy: 0.4244234840621767
Energy: 0.4209290592463336
Energy: 0.42650606750143916
Energy: 0.4209290592463336
Energy: 0.423103787429143
Energy: 0.46111467716825094
Energy: 0.42448030924902513
Energy: 0.46111467716825094
Energy: 0.4231145949537589
Energy: 0.46032653270623397
Energy: 0.41869893723763785
Energy: 0.46032653270623397
Energy: 0.42874146747193786
Energy: 0.4212988886969883
Energy: 0.42313138271884676
Energy: 0.4212988886969883
Energy: 0.42951295293664415
Energy: 0.42443858566959947
Energy: 0.4216630908044367
Energy: 0.42443858566959947
Energy: 0.42245742190297014
Energy: 0.42083919316208457
Energy: 0.42117690353286824
Energy: 0.42083919316208457
Energy: 0.42112665651438064
Energy: 0.4221324203157406
Energy: 0.4240789694275723
Energy: 0.4221324203157406

minimum gb energy = 0.41869893723763785 eV
minimum distance =  2.5242781545376 Angstroms
sigma value = 13


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

Energy: 0.7685708648532801
Energy: 0.39090888216145675
Energy: 0.5014753291526332
Energy: 0.39695216774086645
Energy: 0.39547193628031335
Energy: 0.39463316801147685
Energy: 0.4733303805721966
Energy: 0.39463316801147685
Energy: 0.3952822000882737
Energy: 0.39293625608542854
Energy: 0.47493141095876573
Energy: 0.39293625608542854
Energy: 0.5510832195540609
Energy: 0.3931049070007548
Energy: 0.47413489262991604
Energy: 0.39310490700133865
Energy: 0.4757639991429035
Energy: 0.3949338242771628
Energy: 0.47336805285524425
Energy: 0.3949338242771628
Energy: 0.4754719250930989
Energy: 0.3939436172620694
Energy: 0.47225747018689196
Energy: 0.3939436172626532
Energy: 0.47537807609736393
Energy: 0.39288382062298666
Energy: 0.4720751517402932
Energy: 0.39288382062298666
Energy: 0.3970755193055707
Energy: 0.3935628951348666
Energy: 0.4793182274810559
Energy: 0.3935628951348666
Energy: 0.3930836164380734
Energy: 0.39328190506195865
Energy: 0.4761633285254911
Energy: 0.39328190506195865
Energy: 0.3927580071880373
Energy: 0.392829058070975
Energy: 0.47494860914884024
Energy: 0.392829058070975
Energy: 0.3947316577139601
Energy: 0.39277097403577266
Energy: 0.40389367472064425
Energy: 0.39277097403577266
Energy: 0.47260003899237946
Energy: 0.4165855933448912
Energy: 0.4754963478558925
Energy: 0.4165855933448912
Energy: 0.4746077539211234
Energy: 0.41588700158894115
Energy: 0.47150867368938193
Energy: 0.41588700158894115
Energy: 0.5553590857172401
Energy: 0.4148380987117046
Energy: 0.5530300339936663
Energy: 0.4148380987117046
Energy: 0.4815301680407783
Energy: 0.3957755462263969
Energy: 0.47466606478003553
Energy: 0.3957755462263969
Energy: 0.4793737679857464
Energy: 0.39406100358977175
Energy: 0.39587165888957576
Energy: 0.39406100358977175
Energy: 0.5551938418210022
Energy: 0.39336616277127223
Energy: 0.39485773793695594
Energy: 0.39336616277127223
Energy: 0.40147605627471356
Energy: 0.39394496130847867
Energy: 0.39511866303101006
Energy: 0.39394496130789486
Energy: 0.5558283157714927
Energy: 0.392555068509845
Energy: 0.47144110334218486
Energy: 0.392555068509845
Energy: 0.47442190374426146
Energy: 0.3923575515340477
Energy: 0.48064748038130406
Energy: 0.3923575515340477
Energy: 0.5811190699304831
Energy: 0.393394546760096
Energy: 0.4722678746223491
Energy: 0.393394546760096
Energy: 0.47439359862018693
Energy: 0.39300934110068514
Energy: 0.472207373261348
Energy: 0.39300934110126906
Energy: 0.472698695969795
Energy: 0.39498941997936726
Energy: 0.47355126736580605
Energy: 0.39498941997936726
Energy: 0.39655019346297005
Energy: 0.39237433862639437
Energy: 0.5538654400877789
Energy: 0.39237433862583704
Energy: 0.47261929674632425
Energy: 0.39301602448020534
Energy: 0.4806964015217214
Energy: 0.39301602448020534
Energy: 0.3937453156384803
Energy: 0.39288180291199853
Energy: 0.4788722007646076
Energy: 0.39288180291199853
Energy: 0.3926500065007327
Energy: 0.392311133132902
Energy: 0.5547384064043731
Energy: 0.392311133132902
Energy: 0.3934196919075693
Energy: 0.3930210568484614
Energy: 0.39886393762284184
Energy: 0.3930210568484614
Energy: 0.47125460963374183
Energy: 0.3926495341950589
Energy: 0.5577725697404701
Energy: 0.3926495341950589
Energy: 0.4804855276788645
Energy: 0.41478519753185555
Energy: 0.47139210939779486
Energy: 0.4147851975312717
Energy: 0.5548162090687977
Energy: 0.4157733945908313
Energy: 0.5548413756437428
Energy: 0.4157733945908313
Energy: 0.4789916300847978
Energy: 0.3936527092437587
Energy: 0.5524229277867064
Energy: 0.3936527092437587
Energy: 0.48191881722228463
Energy: 0.3954218658875589
Energy: 0.3933440316659448
Energy: 0.3954218658875589
Energy: 0.5558604703755458
Energy: 0.39251722432748815
Energy: 0.39294075871651896
Energy: 0.39251722432748815
Energy: 0.5460743977343897
Energy: 0.39367468543713274
Energy: 0.39305074543527707
Energy: 0.3936746854377166

minimum gb energy = 0.39090888216145675 eV
minimum distance =  2.51536792767641 Angstroms
sigma value = 37


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

Energy: 0.7500842110036475
Energy: 0.3547855152473768
Energy: 0.47027956132794785
Energy: 0.3593388045740006
Energy: 0.556125550278206
Energy: 0.3581882093061321
Energy: 0.4937633972436609
Energy: 0.3581882093061321
Energy: 0.5562332432071156
Energy: 0.357524874532982
Energy: 0.4928773750593288
Energy: 0.357524874532982
Energy: 0.557163849237933
Energy: 0.4002502616535875
Energy: 0.492237761250517
Energy: 0.40025026165459204
Energy: 0.48320118617373015
Energy: 0.3518272541824933
Energy: 0.5514617762041234
Energy: 0.3518272541824933
Energy: 0.4864374211066773
Energy: 0.35118295712221825
Energy: 0.5526842770043543
Energy: 0.35118295712221825
Energy: 0.42607563210394744
Energy: 0.3506688175838867
Energy: 0.6133982654770893
Energy: 0.35066881758288215
Energy: 0.42546821163446913
Energy: 0.35076149626227227
Energy: 0.5585792225166504
Energy: 0.35076149626227227
Energy: 0.4207746784595035
Energy: 0.3488174841235513
Energy: 0.5590007448594358
Energy: 0.3488174841235513
Energy: 0.4201130383122252
Energy: 0.3491554653393105
Energy: 0.6123856617703977
Energy: 0.34915546533830605
Energy: 0.43171066551550064
Energy: 0.4312275988797771
Energy: 0.6714971617444433
Energy: 0.4312275988797771
Energy: 0.5532442281000223
Energy: 0.34937389699404686
Energy: 0.6123702177124988
Energy: 0.34937389699404686
Energy: 0.5547510815338208
Energy: 0.3485096258209321
Energy: 0.5562982089261153
Energy: 0.3485096258209321
Energy: 0.5548468164523902
Energy: 0.3944484349488645
Energy: 0.5571692388760271
Energy: 0.3944484349488645
Energy: 0.5514617762041234
Energy: 0.39337628377103867
Energy: 0.48575637871531235
Energy: 0.39337628377103867
Energy: 0.5526842770043543
Energy: 0.3925430394562008
Energy: 0.35157054871610466
Energy: 0.3925430394562008
Energy: 0.6169141627536355
Energy: 0.39209739078362715
Energy: 0.4258473044766131
Energy: 0.39209739078362715
Energy: 0.5585792225166504
Energy: 0.3585702798199905
Energy: 0.36202491588214386
Energy: 0.3585702798199905
Energy: 0.5590007448584313
Energy: 0.3575889803932499
Energy: 0.3582396924651479
Energy: 0.3575889803932499
Energy: 0.6182759507633913
Energy: 0.3588063229257438
Energy: 0.36025083767580596
Energy: 0.3588063229257438

minimum gb energy = 0.3485096258209321 eV
minimum distance =  2.50142094897074 Angstroms
sigma value = 25


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

Energy: 0.8628198635244698
Energy: 0.3126871163069617
Energy: 0.4346830659781506
Energy: 0.3133518339432723
Energy: 0.7085629949685572
Energy: 0.3113466610194789
Energy: 0.42263204637877444
Energy: 0.3113466610194789
Energy: 0.7088026065904147
Energy: 0.31023887883986184
Energy: 0.4225906742647359
Energy: 0.31023887883907747
Energy: 0.5753301221246899
Energy: 0.3111563927430671
Energy: 0.4950414545061166
Energy: 0.3111563927438515
Energy: 0.6225259495962682
Energy: 0.3457480173231673
Energy: 0.6209313060409635
Energy: 0.3457480173231673
Energy: 0.5720463389814777
Energy: 0.3447562165800978
Energy: 0.6189579123287443
Energy: 0.3447562165800978
Energy: 0.5735547230043638
Energy: 0.3084007920947852
Energy: 0.6155836543203413
Energy: 0.3084007920947852
Energy: 0.4176191484216852
Energy: 0.3065265451208094
Energy: 0.6584970514748207
Energy: 0.30652654512002503
Energy: 0.41385944172851763
Energy: 0.30846105511453764
Energy: 0.617553548376906
Energy: 0.30846105511453764
Energy: 0.4124879364082829
Energy: 0.30708080334558835
Energy: 0.7033059081983879
Energy: 0.30708080334558835
Energy: 0.3646531772326642
Energy: 0.31018440252154555
Energy: 0.7400998893220194
Energy: 0.31018440252154555
Energy: 0.36433832196094074
Energy: 0.30716288327081037
Energy: 0.7035374927047259
Energy: 0.30716288327081037
Energy: 0.3654131617137154
Energy: 0.30771675332124776
Energy: 0.7021984766508539
Energy: 0.30771675332124776
Energy: 0.3683486873829077
Energy: 0.30658740844914006
Energy: 0.7014944686148139
Energy: 0.30658740844914006
Energy: 0.47459008010470694
Energy: 0.30567898930518755
Energy: 0.7049538148968403
Energy: 0.30567898930518755
Energy: 0.47319200963767877
Energy: 0.30677454293515427
Energy: 0.7112075185603562
Energy: 0.30677454293515427
Energy: 0.5257568933338753
Energy: 0.30711404817572635
Energy: 0.7151011420112143
Energy: 0.3071140481765107
Energy: 0.47792812897610587
Energy: 0.34475313057623425
Energy: 0.5775760414628107
Energy: 0.34475313057623425
Energy: 0.6108063439874045
Energy: 0.3403746934612278
Energy: 0.5729699125493697
Energy: 0.3403746934604434
Energy: 0.6148008005114597
Energy: 0.34101243466638564
Energy: 0.5723081297768138
Energy: 0.34101243466638564
Energy: 0.658273632754343
Energy: 0.34207133583743654
Energy: 0.42235581084031193
Energy: 0.34207133583743654
Energy: 0.7102623210776239
Energy: 0.31000190090902874
Energy: 0.3666079474684064
Energy: 0.31000190090902874
Energy: 0.7047893120960225
Energy: 0.31054725453998977
Energy: 0.4188749444728951
Energy: 0.3105472545407742
Energy: 0.6586310732307022
Energy: 0.3117339024524634
Energy: 0.3141323016356381
Energy: 0.3117339024524634
Energy: 0.7092399333791815
Energy: 0.31016182133769266
Energy: 0.31085108296278297
Energy: 0.31016182133769266
Energy: 0.7101135001029506
Energy: 0.3114499250814677
Energy: 0.3127514250536611
Energy: 0.3114499250814677

minimum gb energy = 0.30567898930518755 eV
minimum distance =  2.51838399074924 Angstroms
sigma value = 41


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

Energy: 0.8825592563116049
Energy: 0.2805477036471547
Energy: 0.4074018859768926
Energy: 0.2781418759239683
Energy: 0.7638236590568634
Energy: 0.2772872880276293
Energy: 0.36831853022982736
Energy: 0.2772872880276293
Energy: 0.7621292036645442
Energy: 0.2767790486988261
Energy: 0.3706029439177293
Energy: 0.2767790486988261
Energy: 0.6173573426180775
Energy: 0.2783380237285373
Energy: 0.46673079152048214
Energy: 0.2783380237285373
Energy: 0.6157759427082198
Energy: 0.2755459645062988
Energy: 0.5397137249522721
Energy: 0.27554596450565577
Energy: 0.6131046731468941
Energy: 0.3950346493546049
Energy: 0.5372340430908086
Energy: 0.3950346493546049
Energy: 0.6166353489304304
Energy: 0.3061071468979164
Energy: 0.6154662863183005
Energy: 0.3061071468972733
Energy: 0.5414272414540601
Energy: 0.30540843086317604
Energy: 0.5416488116250603
Energy: 0.30540843086253294
Energy: 0.4613575926061382
Energy: 0.30472329621389077
Energy: 0.6875859123505474
Energy: 0.30472329621324773
Energy: 0.4607361533177693
Energy: 0.27564202881249594
Energy: 0.6923262521154075
Energy: 0.27564202881249594
Energy: 0.3728137375222261
Energy: 0.2796941034841328
Energy: 0.6954170516027752
Energy: 0.2796941034841328
Energy: 0.37053338345644166
Energy: 0.27595857550859143
Energy: 0.7620546038825576
Energy: 0.27595857550859143
Energy: 0.3698596587231758
Energy: 0.27882988367282496
Energy: 0.7630827114809621
Energy: 0.27882988367282496
Energy: 0.2809494312436214
Energy: 0.2782994484781798
Energy: 0.6923071526137716
Energy: 0.2782994484781798
Energy: 0.2776245312123124
Energy: 0.2762876643149923
Energy: 0.7610868069261143
Energy: 0.2762876643149923
Energy: 0.27867770091497013
Energy: 0.2785881873274509
Energy: 0.7642893547829964
Energy: 0.2785881873274509
Energy: 0.3728730907850279
Energy: 0.2806039248172132
Energy: 0.7650196324377047
Energy: 0.2806039248172132
Energy: 0.3710004438685727
Energy: 0.275785862747487
Energy: 0.7604476046680426
Energy: 0.275785862747487
Energy: 0.3695014101849857
Energy: 0.27718251019487317
Energy: 0.6152317429143372
Energy: 0.27718251019487317
Energy: 0.5372032480274586
Energy: 0.27717055254061806
Energy: 0.6141915452633208
Energy: 0.2771705525412611
Energy: 0.5441244013413449
Energy: 0.27586745204253127
Energy: 0.6874744929079313
Energy: 0.2758674520431743
Energy: 0.5376755764974587
Energy: 0.30489837806888276
Energy: 0.616962533012527
Energy: 0.30489837806823966
Energy: 0.6878855588405415
Energy: 0.3042423663988171
Energy: 0.6125165556011127
Energy: 0.3042423663988171
Energy: 0.5407875841532754
Energy: 0.3052313619442874
Energy: 0.5384775988061704
Energy: 0.30523136194493045
Energy: 0.686506004323126
Energy: 0.27688710297851526
Energy: 0.4651426710417385
Energy: 0.27688710297915836
Energy: 0.6895309007957545
Energy: 0.2768529264602056
Energy: 0.5380851128528187
Energy: 0.2768529264602056
Energy: 0.6907899336849341
Energy: 0.278870836318008
Energy: 0.37040814166796643
Energy: 0.278870836318008
Energy: 0.7599198083392941
Energy: 0.27615602030226727
Energy: 0.37062809434336463
Energy: 0.27615602030226727
Energy: 0.6905809364086407
Energy: 0.2779786204786027
Energy: 0.3717092884376798
Energy: 0.2779786204786027
Energy: 0.6891391107093345
Energy: 0.27863608282976765
Energy: 0.277827413800417
Energy: 0.27863608282976765
Energy: 0.7607314450046179
Energy: 0.27601276750785625
Energy: 0.2772563943886013
Energy: 0.2760127675084994
Energy: 0.7669236236836243
Energy: 0.27815967949204023
Energy: 0.2774306734711657
Energy: 0.27815967949204023

minimum gb energy = 0.27554596450565577 eV
minimum distance =  2.52392457366222 Angstroms
sigma value = 15


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

Energy: 0.7643625526195444
Energy: 0.2581959536978801
Energy: 0.3911128389611616
Energy: 0.25761353650028546
Energy: 0.8028935134008308
Energy: 0.25445062830273385
Energy: 0.3330060217409549
Energy: 0.25445062830273385
Energy: 0.8010808299271173
Energy: 0.25406118697317076
Energy: 0.33571506964426645
Energy: 0.25406118697317076
Energy: 0.6808676581939528
Energy: 0.25675187632620056
Energy: 0.48375111017023187
Energy: 0.25675187632674534
Energy: 0.6756473779275035
Energy: 0.2531028666956379
Energy: 0.48024331767334466
Energy: 0.2531028666956379
Energy: 0.6760050904434391
Energy: 0.257242249782124
Energy: 0.4786726297197603
Energy: 0.2572422497804897
Energy: 0.5471813565062636
Energy: 0.2584337953542836
Energy: 0.6101034192737993
Energy: 0.25843379535373884
Energy: 0.6131344482828319
Energy: 0.2795102589013313
Energy: 0.48218576300887217
Energy: 0.27951025891331627
Energy: 0.5453584727710329
Energy: 0.4576864705975413
Energy: 0.6090061408346282
Energy: 0.4576864705975413
Energy: 0.5447055083579907
Energy: 0.27789566687467054
Energy: 0.7361496804269568
Energy: 0.2778956668490663
Energy: 0.4831215946628228
Energy: 0.25783233993573473
Energy: 0.6174701505984411
Energy: 0.25783233993573473
Energy: 0.41358459436524536
Energy: 0.25506220090215265
Energy: 0.736138509922388
Energy: 0.25506220092448834
Energy: 0.47946999874507623
Energy: 0.2535897514461876
Energy: 0.7375644514929376
Energy: 0.2535897514461876
Energy: 0.3371817366584656
Energy: 0.25626619058723427
Energy: 0.614330924249887
Energy: 0.2562661905899581
Energy: 0.3351439025642677
Energy: 0.2529163930288489
Energy: 0.7993023098939493
Energy: 0.2529163930288489
Energy: 0.3355857519908356
Energy: 0.2557420751927688
Energy: 0.7392664418146794
Energy: 0.25574207519331354
Energy: 0.25832162025896943
Energy: 0.2559560708681053
Energy: 0.7419143061124863
Energy: 0.2559560708681053
Energy: 0.25349906963501245
Energy: 0.2527904916463198
Energy: 0.7985174815659032
Energy: 0.2527904916463198
Energy: 0.25768438281616585
Energy: 0.2575312865018239
Energy: 0.6778197802383648
Energy: 0.2575312865018239
Energy: 0.3363175618203058
Energy: 0.25653275835183686
Energy: 0.8045736815190832
Energy: 0.25653275835183686
Energy: 0.3359767057584234
Energy: 0.2530154438810289
Energy: 0.798850278599039
Energy: 0.2530154438810289
Energy: 0.33726203435215135
Energy: 0.25616553680218884
Energy: 0.6806320046210278
Energy: 0.2561655368027337
Energy: 0.4786255415027815
Energy: 0.2540814629228273
Energy: 0.6752251327894989
Energy: 0.2540814629228273
Energy: 0.48199541187671957
Energy: 0.2527988933367768
Energy: 0.737068402656347
Energy: 0.25279889324966287
Energy: 0.48240901075641673
Energy: 0.2549740833927627
Energy: 0.5493968625336914
Energy: 0.25497408339221783
Energy: 0.6104854978098131
Energy: 0.2787908550791458
Energy: 0.6793212416891787
Energy: 0.278790855078601
Energy: 0.4800211512628456
Energy: 0.45834295617156984
Energy: 0.6098829153300985
Energy: 0.45834295617156984
Energy: 0.6124595309627558
Energy: 0.28057556657105615
Energy: 0.5490593290203456
Energy: 0.28057556656942184
Energy: 0.6127603539201274
Energy: 0.2545466354948411
Energy: 0.6103220520111454
Energy: 0.2545466354953858
Energy: 0.610878382515391
Energy: 0.25456118355041935
Energy: 0.47968399980850146
Energy: 0.25456118355150886
Energy: 0.7389438490750639
Energy: 0.2527854710551184
Energy: 0.41381878410655365
Energy: 0.25278547105457366
Energy: 0.6140906958437714
Energy: 0.25591360296338916
Energy: 0.4835351183767114
Energy: 0.25591360296338916
Energy: 0.7381357104623922
Energy: 0.2543116684546808
Energy: 0.33590780546778576
Energy: 0.2543116684546808
Energy: 0.8030581577923505
Energy: 0.2539042366442502
Energy: 0.3364579735176242
Energy: 0.2539042366442502
Energy: 0.745022349071396
Energy: 0.257601044344596
Energy: 0.2560329353640915
Energy: 0.2576010443435065
Energy: 0.8018596583369422
Energy: 0.2552639394054824
Energy: 0.25404883992706595
Energy: 0.2552639394054824
Energy: 0.7998432988511208
Energy: 0.2541505607922352
Energy: 0.2552668002021071
Energy: 0.2541505607922352

minimum gb energy = 0.25278547105457366 eV
minimum distance =  2.5185135123636 Angstroms
sigma value = 85


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

Energy: 0.8165836828488621
Energy: 0.22450089140809054
Energy: 0.22443098857315238
Energy: 0.2243253659234602
Energy: 0.8210513511875235
Energy: 0.22382876701984977
Energy: 0.2936622578616372
Energy: 0.22382876701984977
Energy: 0.7086191706668183
Energy: 0.2231501265008566
Energy: 0.29615133773121977
Energy: 0.2231501265008566
Energy: 0.5939127461632878
Energy: 0.22579074527663096
Energy: 0.42265609205893534
Energy: 0.22579074527710344
Energy: 0.7668116363922634
Energy: 0.22221078764354518
Energy: 0.4236461847003742
Energy: 0.22221078764354518
Energy: 0.5958960952104462
Energy: 0.2234288633360455
Energy: 0.42294021820271394
Energy: 0.2234288633440777
Energy: 0.5983162192768193
Energy: 0.22346147371711436
Energy: 0.5404875070377434
Energy: 0.22346147366280047
Energy: 0.6547021664584598
Energy: 0.22297750832382043
Energy: 0.42415118572329374
Energy: 0.22297750832382043
Energy: 0.5981715633922012
Energy: 0.41395920366106725
Energy: 0.5386938932657821
Energy: 0.4139592036615398
Energy: 0.5976932038412003
Energy: 0.4155989268085767
Energy: 0.6515402690343344
Energy: 0.4155989268085767
Energy: 0.5416150358785545
Energy: 0.33019820610096806
Energy: 0.537652962149167
Energy: 0.33019820610096806
Energy: 0.4823817652368616
Energy: 0.22336328523384744
Energy: 0.6516436324516635
Energy: 0.223363285129472
Energy: 0.5382863027369992
Energy: 0.22335353900678262
Energy: 0.6526606673695009
Energy: 0.22335353900820007
Energy: 0.42625782668045226
Energy: 0.22361530147793485
Energy: 0.5367320261435679
Energy: 0.22361530147793485
Energy: 0.36565782855661877
Energy: 0.22283121396738242
Energy: 0.7617885594480592
Energy: 0.22283121396407504
Energy: 0.42392949190669005
Energy: 0.2237267487289893
Energy: 0.653448978630263
Energy: 0.2237267487289893
Energy: 0.29686509821481916
Energy: 0.22391542663049985
Energy: 0.6557802441471487
Energy: 0.22391542663049985
Energy: 0.29476446808894907
Energy: 0.22254119632071945
Energy: 0.8191823300004631
Energy: 0.22254119632119193
Energy: 0.2980867410478233
Energy: 0.22274701131032815
Energy: 0.7608887007755724
Energy: 0.22274701131080063
Energy: 0.22546765601803492
Energy: 0.22562867792454747
Energy: 0.760888719416124
Energy: 0.22562867792454747
Energy: 0.22297812556257304
Energy: 0.22257530637302067
Energy: 0.8161756398251817
Energy: 0.2225753063725482
Energy: 0.22501546443656462
Energy: 0.2239788024686223
Energy: 0.7067122185071314
Energy: 0.2239788024686223
Energy: 0.2952979268304783
Energy: 0.2240060658306583
Energy: 0.818380396214718
Energy: 0.22400606583113078
Energy: 0.29461593495612365
Energy: 0.22240426765846158
Energy: 0.8193710504220372
Energy: 0.22240426765846158
Energy: 0.29400969527974685
Energy: 0.22659684721773737
Energy: 0.5938644889331851
Energy: 0.22659684721773737
Energy: 0.422578176754338
Energy: 0.22268310335287084
Energy: 0.7662251832228654
Energy: 0.22268310335287084
Energy: 0.4230904445809921
Energy: 0.22248031098213739
Energy: 0.708145192045519
Energy: 0.22248031098213739
Energy: 0.4860947355024223
Energy: 0.2242067578308551
Energy: 0.5946407413899709
Energy: 0.22420675783038266
Energy: 0.540210711253645
Energy: 0.22294642454718588
Energy: 0.7107383827816721
Energy: 0.22294642454718588
Energy: 0.5388922057701495
Energy: 0.413457484340062
Energy: 0.5959655396716796
Energy: 0.413457484340062
Energy: 0.6522803636595451
Energy: 0.330137565690483
Energy: 0.48176675784725154
Energy: 0.330137565690483
Energy: 0.5413899296627203
Energy: 0.3303143461496357
Energy: 0.5989717486413435
Energy: 0.3303143461496357
Energy: 0.652855612495266
Energy: 0.41376497837646636
Energy: 0.4800996995655879
Energy: 0.41376497837646636
Energy: 0.7112745162322728
Energy: 0.2231800382919463
Energy: 0.4807236299764672
Energy: 0.2231800382919463
Energy: 0.5367851443982289
Energy: 0.22418535489763133
Energy: 0.423043321983041
Energy: 0.22418535489763133
Energy: 0.7623166737553081
Energy: 0.22296835372750923
Energy: 0.4232703250959328
Energy: 0.22296835372703674
Energy: 0.7626453934299343
Energy: 0.22277636243986695
Energy: 0.42268167720178085
Energy: 0.22277636243986695
Energy: 0.6510850374001763
Energy: 0.22598996345915592
Energy: 0.29372575880072693
Energy: 0.22598996345868344
Energy: 0.816682467566484
Energy: 0.2222478043715181
Energy: 0.29460762891580394
Energy: 0.2222478043715181
Energy: 0.764208410541943
Energy: 0.2243353882556521
Energy: 0.29552559433606906
Energy: 0.2243353882556521
Energy: 0.6503428670565337
Energy: 0.22526269988513545
Energy: 0.22246940452340508
Energy: 0.22526269988513545
Energy: 0.8158173910303504
Energy: 0.2224206610684073
Energy: 0.2227718666329013
Energy: 0.2224206610684073
Energy: 0.7110491212351288
Energy: 0.2251015531132949
Energy: 0.2255020430269392
Energy: 0.2251015531132949

minimum gb energy = 0.22221078764354518 eV
minimum distance =  2.52070463540152 Angstroms
sigma value = 113


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

Energy: 0.011738798999001567
Energy: 0.01206965274685528
Energy: 0.6254656536527728
Energy: 0.20838214893386234
Energy: 0.01225755939579267
Energy: 0.05810496955374497
Energy: 0.46768158771881846
Energy: 0.05810496955374497
Energy: 0.020717160591548066
Energy: 0.0574052645187078
Energy: 0.46712697792327057
Energy: 0.0574052645187078
Energy: 0.01280378376204112
Energy: 0.06098235267750267
Energy: 0.46912185465293504
Energy: 0.06098235267750267
Energy: 0.470983916605569
Energy: 0.05955847885603622
Energy: 0.46848164735073233
Energy: 0.05955847885603622
Energy: 0.012185780861837843
Energy: 0.05735954925250125
Energy: 0.4672218796460798
Energy: 0.05735954925250125

minimum gb energy = 0.011738798999001567 eV
minimum distance =  2.78598175072576 Angstroms
sigma value = 1