Model name: model_name=EAM_Dynamo_ZopeMishin_2003_Al__MO_664470114311_005
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=4.050000011920929
cohesive_energy=3.3541843831092124
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=[1.7750354710422598e-19, 2.4212734163661596e-19, 2.8961105053847395e-19, 3.27399988627998e-19, 3.58636024284462e-19, 3.85036690859514e-19, 4.0767064016803197e-19, 4.27254045165414e-19, 4.4429960237454e-19, 4.591870276576679e-19, 4.72206314985552e-19, 4.83588177793488e-19, 4.9351846857102e-19, 5.0214618974511e-19, 5.09601117623112e-19, 5.15987393686236e-19, 5.2139634200262e-19, 5.2590646922733e-19, 5.29585066778994e-19, 5.3249141519307e-19, 5.34676784121846e-19, 5.361908410409759e-19, 5.37072038189676e-19, 5.37357225630528e-19, 5.37051209893434e-19, 5.3606426908689e-19, 5.342810464932479e-19, 5.3156215274535e-19, 5.27745768003162e-19, 5.226364267173359e-19, 5.15998608922674e-19, 5.075519337082259e-19, 4.96951933097682e-19, 4.83783643342836e-19, 4.67529561390906e-19, 4.475568274714619e-19, 4.2306915979740597e-19, 3.9306840232575593e-19, 3.5628082463248202e-19, 3.11072206550904e-19, 2.5530684662789996e-19, 1.8617292487079999e-19, 9.989603356522679e-20, -8.674536775335479e-21, -1.4671371764033098e-19, -3.2444237056163397e-19, -5.56839693499968e-19, -8.665468455587039e-19, -1.2891417610724459e-18, -1.88323045913628e-18, -2.7511936288394402e-18, -4.08585483026046e-18, -6.290866444569299e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.00607941459516994 eV

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

Energy: 0.010306104690719116
Energy: 0.04982338161873765
Energy: 0.31013931602360056
Energy: 0.04982338161823793
Energy: 0.04982338161873765
Energy: 0.2877082836988328
Energy: 0.04982338161873765
Energy: 0.2877082836973614
Energy: 0.3101393160231009
Energy: 0.04982338161873765
Energy: 0.010306104690719116
Energy: 0.04982338161873765
Energy: 0.04982338161823793
Energy: 0.2877082836973614
Energy: 0.04982338161873765
Energy: 0.2877082836988328

minimum gb energy = 0.010306104690719116 eV
minimum distance =  2.84563288404153 Angstroms
sigma value = 1


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

Energy: 0.6104776027626366
Energy: 0.47323986222685677
Energy: 0.4745250899964475
Energy: 0.4732398622250386
Energy: 0.4453908941109615
Energy: 0.4719836181798754
Energy: 0.44477868759513844
Energy: 0.47198361817866324
Energy: 0.47395289858454
Energy: 0.4733779389250053
Energy: 0.44438386363148036
Energy: 0.4733779389231872
Energy: 0.44562864379625766
Energy: 0.44464763765827725
Energy: 0.444921798548255
Energy: 0.44464763765827725
Energy: 0.5702706585078011
Energy: 0.44802038113982173
Energy: 0.4495586893361651
Energy: 0.44802038113982173
Energy: 0.47265576742253707
Energy: 0.4442536643885724
Energy: 0.44480140368545296
Energy: 0.4442536643897844
Energy: 0.468537391835539
Energy: 0.46731829121587826
Energy: 0.4494415802707247
Energy: 0.46731829121527224
Energy: 0.4530910871083411
Energy: 0.45015026218144377
Energy: 0.48805485226654793
Energy: 0.45015026218144377
Energy: 0.5022973357092884
Energy: 0.47281339227309144
Energy: 0.46959477584453707
Energy: 0.47281339227309144
Energy: 0.48318769325150546
Energy: 0.4685537759488294
Energy: 0.4495021305845479
Energy: 0.4685537759482234
Energy: 0.4471435067177415
Energy: 0.47231232093916053
Energy: 0.5022124971191445
Energy: 0.47231232093976655
Energy: 0.45156974888372287
Energy: 0.4809536863258786
Energy: 0.4886923061974636
Energy: 0.48095368632648466
Energy: 0.46676260644766815
Energy: 0.4670644433730799
Energy: 0.4490723838804317
Energy: 0.4670644433730799
Energy: 0.472181106945085
Energy: 0.46540734925948707
Energy: 0.4660230555205218
Energy: 0.46540734925888105
Energy: 0.44854803999700293
Energy: 0.44783948275339797
Energy: 0.44896717883405757
Energy: 0.44783948275339797
Energy: 0.46409725647804523
Energy: 0.4444523730150134
Energy: 0.44568090386616827
Energy: 0.4444523730150134
Energy: 0.47358338683884893
Energy: 0.4731588222112865
Energy: 0.4370788702467541
Energy: 0.4731588222106805
Energy: 0.44513556945100907
Energy: 0.44998437054866025
Energy: 0.44923658724934606
Energy: 0.4499843705492663
Energy: 0.44382680081542436
Energy: 0.4735472183397667
Energy: 0.4755795379344806
Energy: 0.4735472183391607
Energy: 0.5006014867463976
Energy: 0.4732324794876989
Energy: 0.4736265750267418
Energy: 0.4732324794870929
Energy: 0.4521553180784403
Energy: 0.44793734147088377
Energy: 0.449046010498967
Energy: 0.4479373414702777
Energy: 0.4467547131481362
Energy: 0.4451547248492491
Energy: 0.4729159483164155
Energy: 0.4451547248486431
Energy: 0.44909333551681796
Energy: 0.46734097967233323
Energy: 0.46999041400350594
Energy: 0.46734097967233323
Energy: 0.48829436972735935
Energy: 0.46513719451362995
Energy: 0.45124455541064473
Energy: 0.46513719451362995
Energy: 0.4481071736788405
Energy: 0.47332816287822155
Energy: 0.5026627727650834
Energy: 0.4733281628788276
Energy: 0.45056648818979966
Energy: 0.47407268738492775
Energy: 0.4843272371134213
Energy: 0.4740726873855338
Energy: 0.5028587903018437
Energy: 0.47298501349939276
Energy: 0.4474726213089406
Energy: 0.4729850134981806
Energy: 0.4874741773686929
Energy: 0.47192535819464626
Energy: 0.44997526347629363
Energy: 0.4719253581928281
Energy: 0.44884587945288795
Energy: 0.4681292183919257
Energy: 0.46652236656270096
Energy: 0.46812921839253174
Energy: 0.4659509882535913
Energy: 0.4680378712269105
Energy: 0.4726114482697487
Energy: 0.46803787122630447
Energy: 0.4482603728102631
Energy: 0.44763709152666686
Energy: 0.4485553942172774
Energy: 0.44763709152787895
Energy: 0.4458730366820744
Energy: 0.44439557397064167
Energy: 0.4641276146750177
Energy: 0.44439557397064167
Energy: 0.43747744158773705
Energy: 0.4732690163740198
Energy: 0.4738812436511114
Energy: 0.4732690163746258

minimum gb energy = 0.4370788702467541 eV
minimum distance =  2.58263458792653 Angstroms
sigma value = 1


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

Energy: 0.698183996822353
Energy: 0.48940721162649725
Energy: 0.4889958317770633
Energy: 0.48940721163337586
Energy: 0.4893555349814758
Energy: 0.4852305171105671
Energy: 0.4588714111199117
Energy: 0.48523051711540405
Energy: 0.49775482417226535
Energy: 0.4896660158873281
Energy: 0.45652852684943773
Energy: 0.4896660158859461
Energy: 0.45632382191465354
Energy: 0.4853001330703274
Energy: 0.45873067173111415
Energy: 0.48530013306618136
Energy: 0.4567045239017022
Energy: 0.461427525886094
Energy: 0.46218825410946096
Energy: 0.461427525888858
Energy: 0.4879200709304221
Energy: 0.4569114944560598
Energy: 0.4576859079171528
Energy: 0.45691149446435175
Energy: 0.4887547846871311
Energy: 0.4867461818490067
Energy: 0.46304453379291427
Energy: 0.4867461818545347
Energy: 0.4629730388699598
Energy: 0.4656275152484181
Energy: 0.5071115596514527
Energy: 0.46562751524980006
Energy: 0.463622336202934
Energy: 0.4934042158972224
Energy: 0.5044626521237853
Energy: 0.4934042158965314
Energy: 0.5079470317683971
Energy: 0.492887588794318
Energy: 0.46408909694183414
Energy: 0.492887588796391
Energy: 0.46306763931215983
Energy: 0.48675583058831584
Energy: 0.4895645571907497
Energy: 0.4867558305890069
Energy: 0.48370188508837486
Energy: 0.4859044247059993
Energy: 0.4888645620656023
Energy: 0.48590442470047124
Energy: 0.4610383255896894
Energy: 0.4609633110390055
Energy: 0.46266592336163875
Energy: 0.46096331103831445
Energy: 0.4583038261360647
Energy: 0.4582883099206899
Energy: 0.479074718108452
Energy: 0.45828830991654385
Energy: 0.44775154551429847
Energy: 0.48936742519430887
Energy: 0.49020208266010323
Energy: 0.4893674251915449
Energy: 0.4633339843922244
Energy: 0.4631888872681806
Energy: 0.4585167245832482
Energy: 0.46318888726887153
Energy: 0.48980951809997547
Energy: 0.4895326873925145
Energy: 0.45613332753339164
Energy: 0.48953268738836847
Energy: 0.48969997701098167
Energy: 0.48647031248321726
Energy: 0.519840822973641
Energy: 0.4864703124873632
Energy: 0.456375084808051
Energy: 0.46092489330168807
Energy: 0.46418811836393375
Energy: 0.46092489330168807
Energy: 0.4877228671362346
Energy: 0.457837052961898
Energy: 0.4586697025561515
Energy: 0.45783705295636995
Energy: 0.47224352029687733
Energy: 0.4868652551349412
Energy: 0.46280672472703865
Energy: 0.48686525513701423
Energy: 0.4626512698576816
Energy: 0.4841428028117477
Energy: 0.5086703914670043
Energy: 0.48414280281658467
Energy: 0.5427864241838819
Energy: 0.4933377126632477
Energy: 0.5029498014401559
Energy: 0.4933377126660116
Energy: 0.5077730283377105
Energy: 0.49306366925994227
Energy: 0.4641017661611539
Energy: 0.49306366926616124
Energy: 0.4630503248677171
Energy: 0.486628507316266
Energy: 0.4894242629838513
Energy: 0.48662850732110297
Energy: 0.4837848204731401
Energy: 0.48713015608382443
Energy: 0.48919138845379617
Energy: 0.4871301560803694
Energy: 0.46151908516600565
Energy: 0.4606131651017035
Energy: 0.4627192123786331
Energy: 0.4606131651017035
Energy: 0.45856943208072354
Energy: 0.4608977334335984
Energy: 0.47908246941971355
Energy: 0.4608977334370534
Energy: 0.4477963782726572
Energy: 0.48931751336600454
Energy: 0.49022247695463766
Energy: 0.48931751336393153

minimum gb energy = 0.44775154551429847 eV
minimum distance =  2.57319359530513 Angstroms
sigma value = 25


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

Energy: 0.6655671814514905
Energy: 0.5046040553885133
Energy: 0.5064722558501511
Energy: 0.5046040553885133
Energy: 0.5046166420124377
Energy: 0.49728220694024383
Energy: 0.47364041379782507
Energy: 0.49728220694104713
Energy: 0.5130351790400502
Energy: 0.5045464806119033
Energy: 0.4680832657061281
Energy: 0.5045464806111002
Energy: 0.5044921617027558
Energy: 0.497447697566246
Energy: 0.47242067188176895
Energy: 0.497447697566246
Energy: 0.4684759135786273
Energy: 0.47485574791971297
Energy: 0.4779704466991187
Energy: 0.4748557479189097
Energy: 0.5068512676589776
Energy: 0.46968101034829035
Energy: 0.4700309749831508
Energy: 0.46968101034829035
Energy: 0.49330472562991345
Energy: 0.5118228211836163
Energy: 0.5195405173930367
Energy: 0.5118228211836163
Energy: 0.47901008869485073
Energy: 0.5100288847192679
Energy: 0.5321328860039638
Energy: 0.5100288847192679
Energy: 0.5209286090339023
Energy: 0.5117099080178628
Energy: 0.5449645663899813
Energy: 0.5117099080178628
Energy: 0.5065504173407891
Energy: 0.5160987367712565
Energy: 0.4695655587619328
Energy: 0.5160987367704533
Energy: 0.4571235955690595
Energy: 0.475061345212423
Energy: 0.4843883403029124
Energy: 0.475061345212423
Energy: 0.49499690848885836
Energy: 0.4749945671792855
Energy: 0.4719192472950036
Energy: 0.4749945671784822
Energy: 0.5049121720314528
Energy: 0.5043872550873755
Energy: 0.4565554487272404
Energy: 0.5043872550873755
Energy: 0.4727147515484949
Energy: 0.47901691893877596
Energy: 0.5139173000783044
Energy: 0.4790169189395793
Energy: 0.46863351434078304
Energy: 0.5052123896088689
Energy: 0.514657711830099
Energy: 0.5052123896080657
Energy: 0.5421462927186661
Energy: 0.4987254607190493
Energy: 0.50459185611242
Energy: 0.49872546071824614
Energy: 0.4763849294514991
Energy: 0.47483878802303303
Energy: 0.46891391832664114
Energy: 0.47483878802303303
Energy: 0.4699625921366746
Energy: 0.47554657296305075
Energy: 0.5187872714472508
Energy: 0.4755465729622475
Energy: 0.519306884867766
Energy: 0.5118180511536522
Energy: 0.49328958768251785
Energy: 0.5118180511536522
Energy: 0.533442885167533
Energy: 0.5126306454132455
Energy: 0.4809778067101392
Energy: 0.5126306454132455
Energy: 0.4768226650298869
Energy: 0.5120886455817276
Energy: 0.5208527471178953
Energy: 0.5120886455817276
Energy: 0.4772978749306781
Energy: 0.5133653059399188
Energy: 0.5068535591265562
Energy: 0.5133653059399188
Energy: 0.4851294289215197
Energy: 0.4751415877623258
Energy: 0.4571706175270055
Energy: 0.47514158776312904
Energy: 0.47186298557596384
Energy: 0.47919987030474026
Energy: 0.4573781850572422
Energy: 0.47919987030474026
Energy: 0.45639529014223895
Energy: 0.5041776709688337
Energy: 0.5048956509872742
Energy: 0.5041776709688337

minimum gb energy = 0.45639529014223895 eV
minimum distance =  2.57107087789045 Angstroms
sigma value = 9


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

Energy: 0.6225023655041227
Energy: 0.5288316720671302
Energy: 0.5296911428030593
Energy: 0.5288316720671302
Energy: 0.5199524121521949
Energy: 0.5085407561532925
Energy: 0.49829157503851496
Energy: 0.5085407561513758
Energy: 0.5290651353457698
Energy: 0.5283272128342301
Energy: 0.5198000704559006
Energy: 0.5283272128371049
Energy: 0.5215258628971305
Energy: 0.5087600629946993
Energy: 0.4880266023079695
Energy: 0.5087600629966158
Energy: 0.5029883742797714
Energy: 0.5015623734154209
Energy: 0.5031708192593447
Energy: 0.5015623734154209
Energy: 0.5319291703618064
Energy: 0.4947467175481396
Energy: 0.48471749475333237
Energy: 0.4947467175481396
Energy: 0.5201390507037406
Energy: 0.5415366494251375
Energy: 0.5046720792448841
Energy: 0.5415366494260957
Energy: 0.48433560177499246
Energy: 0.5391656474989316
Energy: 0.5332481635768566
Energy: 0.539165647497015
Energy: 0.5014471664426072
Energy: 0.4936620995890074
Energy: 0.4644310914413866
Energy: 0.4936620995890074
Energy: 0.4949112439709398
Energy: 0.5098277348470805
Energy: 0.4644419672326551
Energy: 0.5098277348480388
Energy: 0.46261086890484165
Energy: 0.5288626770464601
Energy: 0.527776155788704
Energy: 0.5288626770474183
Energy: 0.5459047917994024
Energy: 0.4995618265701059
Energy: 0.519429554390192
Energy: 0.49956182656914766
Energy: 0.5282744134079519
Energy: 0.5205455038873457
Energy: 0.5190942601567435
Energy: 0.520545503888304
Energy: 0.5226722655582652
Energy: 0.5081430037559823
Energy: 0.5705076004358243
Energy: 0.5081430037550241
Energy: 0.5028773184651996
Energy: 0.5018483115117449
Energy: 0.5015756132126544
Energy: 0.5018483115107867
Energy: 0.5488703630133115
Energy: 0.5013935450627582
Energy: 0.4938289272757042
Energy: 0.5013935450627582
Energy: 0.5190795082503512
Energy: 0.5421191159791924
Energy: 0.5045952792836139
Energy: 0.5421191159772759
Energy: 0.5107852187134444
Energy: 0.5441199827311359
Energy: 0.5493286488126957
Energy: 0.5441199827320942
Energy: 0.5009052705537411
Energy: 0.4938521272931751
Energy: 0.4640428902649147
Energy: 0.49385212729413336
Energy: 0.4853041120345923
Energy: 0.4999191332261163
Energy: 0.4645208221367626
Energy: 0.49991913322419984
Energy: 0.46264322291829796
Energy: 0.5283033677153511
Energy: 0.5227119160012446
Energy: 0.5283033677143929

minimum gb energy = 0.46261086890484165 eV
minimum distance =  2.56349776764562 Angstroms
sigma value = 25


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

Energy: 0.5731452366174593
Energy: 0.5462516823240744
Energy: 0.5474966183046609
Energy: 0.5462516823228893
Energy: 0.5461132402758636
Energy: 0.5222936477258237
Energy: 0.547373927132557
Energy: 0.5222936477258237
Energy: 0.5468162417077701
Energy: 0.5460753210383918
Energy: 0.5414769915630987
Energy: 0.5460753210383918
Energy: 0.5454333544945585
Energy: 0.5176514609418612
Energy: 0.4960566844400418
Energy: 0.5176514609418612
Energy: 0.5284541235090907
Energy: 0.5319059166806862
Energy: 0.5290806229334686
Energy: 0.5319059166806862
Energy: 0.48634403075531457
Energy: 0.5339707329147763
Energy: 0.49190080757308596
Energy: 0.5339707329147763
Energy: 0.568092067055839
Energy: 0.5302283218114988
Energy: 0.5285709014674265
Energy: 0.5302283218103138
Energy: 0.47973964446677436
Energy: 0.5191356465724968
Energy: 0.4958242871418172
Energy: 0.5191356465724968
Energy: 0.5466082700778787
Energy: 0.5457361333159151
Energy: 0.6029328402845167
Energy: 0.5457361333159151
Energy: 0.5468503364976683
Energy: 0.5480489525693926
Energy: 0.6003794266090311
Energy: 0.5480489525693926
Energy: 0.5409637800215568
Energy: 0.5463614480333564
Energy: 0.5508870489008606
Energy: 0.5463614480345416
Energy: 0.5414534797552624
Energy: 0.5200135803701648
Energy: 0.5462778859572001
Energy: 0.5200135803701648
Energy: 0.496343134401192
Energy: 0.5309371049678081
Energy: 0.5285191991461557
Energy: 0.530937104965465
Energy: 0.5255053542692978
Energy: 0.5321370891598032
Energy: 0.4889480509146379
Energy: 0.5321370891609613
Energy: 0.5295741050579501
Energy: 0.5290102175751814
Energy: 0.4795427265709573
Energy: 0.5290102175751814
Energy: 0.4964690347310858
Energy: 0.5292451668480984
Energy: 0.566655806550239
Energy: 0.5292451668480984
Energy: 0.6003058706680349
Energy: 0.5460317245285387
Energy: 0.5473702616243082
Energy: 0.5460317245285387

minimum gb energy = 0.4795427265709573 eV
minimum distance =  2.57221748168852 Angstroms
sigma value = 17


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

Energy: 0.7428809971252118
Energy: 0.602377865772258
Energy: 0.6022056043689448
Energy: 0.6023778657729293
Energy: 0.5288452960946215
Energy: 0.5647630621162661
Energy: 0.6032203209080951
Energy: 0.564763062115595
Energy: 0.5295972246092913
Energy: 0.5327605056953736
Energy: 0.6028291227079738
Energy: 0.5327605056953736
Energy: 0.5307477352919211
Energy: 0.5646900033965147
Energy: 0.6111040619753799
Energy: 0.5646900033971857
Energy: 0.5899076477540289
Energy: 0.5756556491631258
Energy: 0.5548310078533878
Energy: 0.575655649163797
Energy: 0.5726379577539752
Energy: 0.5872420028657853
Energy: 0.530520535123503
Energy: 0.5872420028664564
Energy: 0.5569662582477884
Energy: 0.5329945454147073
Energy: 0.5290640925687359
Energy: 0.5329945454140361
Energy: 0.6414411277266105
Energy: 0.5319149783977075
Energy: 0.5293488458717656
Energy: 0.5319149783970364
Energy: 0.6058842431073733
Energy: 0.6024430852927216
Energy: 0.6000272611634334
Energy: 0.6024430852940639
Energy: 0.6057895842829061
Energy: 0.6018548509899085
Energy: 0.6008582761871766
Energy: 0.6018548509905796
Energy: 0.5632982439262367
Energy: 0.5303928370846954
Energy: 0.5271440388523934
Energy: 0.5303928370846954
Energy: 0.6115537977086888
Energy: 0.5303465208390832
Energy: 0.527728131559874
Energy: 0.5303465208404257
Energy: 0.5584236272851935
Energy: 0.5267308226230035
Energy: 0.5307818919829361
Energy: 0.5267308226236745
Energy: 0.5581306787401769
Energy: 0.537576025885921
Energy: 0.507883738190883
Energy: 0.5375760258852498
Energy: 0.6093681110746646
Energy: 0.6019362351002845
Energy: 0.6402028057350566
Energy: 0.6019362350996131
Energy: 0.6053699310548393
Energy: 0.601138782105019
Energy: 0.6400603281905632
Energy: 0.601138782105019
Energy: 0.6014176586606722
Energy: 0.5298537843302802
Energy: 0.5293268324092539
Energy: 0.5298537843302802
Energy: 0.5998842067597503
Energy: 0.5299487629594639
Energy: 0.5327871690708751
Energy: 0.5299487629601352
Energy: 0.531142581102923
Energy: 0.5856810640262098
Energy: 0.5638988273603766
Energy: 0.585681064026881
Energy: 0.5523229318381149
Energy: 0.5762664184902339
Energy: 0.5630027022798945
Energy: 0.5762664184909051
Energy: 0.5322468525381828
Energy: 0.5340515841911331
Energy: 0.6539102015168793
Energy: 0.5340515841897908
Energy: 0.52935846636655
Energy: 0.5331290374085835
Energy: 0.5573906702060591
Energy: 0.5331290374085835
Energy: 0.6014355030996089
Energy: 0.5571407153371875
Energy: 0.6025834306935248
Energy: 0.5571407153378586
Energy: 0.6002659376529149
Energy: 0.6030239042254839
Energy: 0.6013218884044869
Energy: 0.6030239042268262
Energy: 0.5084551630582944
Energy: 0.5643794243572257
Energy: 0.6006087269230108
Energy: 0.5643794243572257
Energy: 0.5273269932740161
Energy: 0.5310770344170681
Energy: 0.5629557961030889
Energy: 0.5310770344157258
Energy: 0.5076202914487641
Energy: 0.5269914807063282
Energy: 0.6473873059367607
Energy: 0.5269914807063282
Energy: 0.5337066011770453
Energy: 0.5309292452841743
Energy: 0.6224392070499394
Energy: 0.5309292452848455
Energy: 0.5277022483951224
Energy: 0.5644016962324859
Energy: 0.5579848200273729
Energy: 0.5644016962331572
Energy: 0.6418274612027319
Energy: 0.6017957755898332
Energy: 0.6017303570225393
Energy: 0.6017957755905043

minimum gb energy = 0.5076202914487641 eV
minimum distance =  2.54707958705909 Angstroms
sigma value = 53


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

Energy: 0.6747461417258194
Energy: 0.5716210632832331
Energy: 0.5736629691664837
Energy: 0.5716210632847782
Energy: 0.5573314429115718
Energy: 0.514373424425588
Energy: 0.5628248098048755
Energy: 0.514373424425588
Energy: 0.57106402805731
Energy: 0.56088568500713
Energy: 0.5622577062680321
Energy: 0.56088568500713
Energy: 0.559432370773178
Energy: 0.513095952265421
Energy: 0.5729405930911063
Energy: 0.513095952265421
Energy: 0.561450286951934
Energy: 0.5124619595707283
Energy: 0.47884323971491666
Energy: 0.5124619595707283
Energy: 0.5768565944828677
Energy: 0.5138361347993959
Energy: 0.4788922949350022
Energy: 0.5138361347993959
Energy: 0.6316313626624249
Energy: 0.5588170482918188
Energy: 0.5628815297463523
Energy: 0.5588170482918188
Energy: 0.633194782910826
Energy: 0.5578982435099453
Energy: 0.5636817208459065
Energy: 0.5578982435114905
Energy: 0.5592254956869772
Energy: 0.5593399265217517
Energy: 0.5601171852846772
Energy: 0.5593399265217517
Energy: 0.5569650091768888
Energy: 0.5572746962991698
Energy: 0.5738636596847208
Energy: 0.557274696300715
Energy: 0.5632732442036402
Energy: 0.5123581212089758
Energy: 0.4791683455980357
Energy: 0.5123581212105209
Energy: 0.5588047766657519
Energy: 0.5124173223532448
Energy: 0.48162614056514125
Energy: 0.5124173223563352
Energy: 0.6334869479709314
Energy: 0.5575453438102584
Energy: 0.5594011143697737
Energy: 0.5575453438087132

minimum gb energy = 0.47884323971491666 eV
minimum distance =  2.53756796379781 Angstroms
sigma value = 9


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

Energy: 0.6650237161416126
Energy: 0.6535956207291048
Energy: 0.6557209096292653
Energy: 0.6535956207291048
Energy: 0.5871399993137071
Energy: 0.5357563867875483
Energy: 0.6524515253754636
Energy: 0.5357563867881203
Energy: 0.5358896398779548
Energy: 0.5358078377090749
Energy: 0.6168974028357938
Energy: 0.5358078377096468
Energy: 0.5376418132451765
Energy: 0.5361336341334466
Energy: 0.6752362170217662
Energy: 0.5361336341340186
Energy: 0.5374569776244418
Energy: 0.5353026353473573
Energy: 0.647944345756643
Energy: 0.535302635348501
Energy: 0.5825849796368443
Energy: 0.535734364424931
Energy: 0.6483928439460503
Energy: 0.5357343644255029
Energy: 0.6480559083799493
Energy: 0.635874133777376
Energy: 0.6505525276558046
Energy: 0.6358741337779479
Energy: 0.6472761133255482
Energy: 0.6261341180325347
Energy: 0.635674737116511
Energy: 0.6261341180325347
Energy: 0.5492779087545562
Energy: 0.5761888428765733
Energy: 0.5493907207128501
Energy: 0.5761888428765733
Energy: 0.5182831873581935
Energy: 0.5507434693671593
Energy: 0.6214725439405016
Energy: 0.5507434693660156
Energy: 0.5757046496096524
Energy: 0.5754046614231064
Energy: 0.5982174388569864
Energy: 0.5754046614231064
Energy: 0.576303454507937
Energy: 0.60960845231988
Energy: 0.6505034264527851
Energy: 0.6096084523193082
Energy: 0.6670106468479399
Energy: 0.5752311287041442
Energy: 0.6150825628839259
Energy: 0.5752311287035723
Energy: 0.6467882726704199
Energy: 0.5753745156931684
Energy: 0.5795506663977653
Energy: 0.5753745156937404
Energy: 0.6358922687085395
Energy: 0.5670428356976593
Energy: 0.5530491500786126
Energy: 0.5670428356993751
Energy: 0.5786680094505522
Energy: 0.5824885757305656
Energy: 0.5521339835051596
Energy: 0.5824885757322812
Energy: 0.6378761606120078
Energy: 0.5345092083371172
Energy: 0.5930858110168999
Energy: 0.5345092083371172
Energy: 0.6357687247195944
Energy: 0.6358029096463752
Energy: 0.652204837550259
Energy: 0.6358029096452315
Energy: 0.6481599826092255
Energy: 0.5358023821386045
Energy: 0.6203285824891228
Energy: 0.5358023821403202
Energy: 0.6211283462407811
Energy: 0.5359695004526417
Energy: 0.5359066197907243
Energy: 0.5359695004520698
Energy: 0.6756387780393822
Energy: 0.5360277646006053
Energy: 0.536884538022765
Energy: 0.5360277646017491
Energy: 0.6480390906169469
Energy: 0.5351817188015102
Energy: 0.5361272292666254
Energy: 0.5351817188003665
Energy: 0.6480843665830822
Energy: 0.5357663409387019
Energy: 0.5840538841181584
Energy: 0.53576634093813
Energy: 0.652614837195888
Energy: 0.6355438925243475
Energy: 0.663854148510721
Energy: 0.6355438925237756
Energy: 0.6364022513514026
Energy: 0.6353726083463338
Energy: 0.6465576497953662
Energy: 0.6353726083469057
Energy: 0.5502854667867355
Energy: 0.5769516830089731
Energy: 0.5669853367913861
Energy: 0.5769516830095451
Energy: 0.6201654843642159
Energy: 0.5505159740029772
Energy: 0.5178270677820639
Energy: 0.5505159740024054
Energy: 0.5987371717873262
Energy: 0.5860139695870579
Energy: 0.5756099137083748
Energy: 0.5860139695870579
Energy: 0.6510876861620203
Energy: 0.5757435477999274
Energy: 0.5760856028909478
Energy: 0.5757435477999274
Energy: 0.6151285094418059
Energy: 0.5763550571273971
Energy: 0.661718758202229
Energy: 0.5763550571279689
Energy: 0.575626209516828
Energy: 0.575498045774531
Energy: 0.6150161079437882
Energy: 0.5754980457739591
Energy: 0.5687533455834753
Energy: 0.5767590479009281
Energy: 0.6288631631938063
Energy: 0.5767590479009281
Energy: 0.5528423054603658
Energy: 0.5819020630657247
Energy: 0.5789940690616457
Energy: 0.5819020630651528
Energy: 0.5841605570245176
Energy: 0.534215807258865
Energy: 0.592584986341649
Energy: 0.534215807258865
Energy: 0.6509083179445427
Energy: 0.6369345345750559
Energy: 0.6356579386392054
Energy: 0.636934534574484

minimum gb energy = 0.5178270677820639 eV
minimum distance =  2.52451561395649 Angstroms
sigma value = 73


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

Energy: 0.7076738711587353
Energy: 0.6278149054682974
Energy: 0.6274246725199037
Energy: 0.6278149054682974
Energy: 0.5836620922953626
Energy: 0.5464878040921245
Energy: 0.644036347194803
Energy: 0.5464878040912172
Energy: 0.5506784943619115
Energy: 0.5506165814002421
Energy: 0.5955172692437356
Energy: 0.5506165814002421
Energy: 0.5468278104934535
Energy: 0.5474090834494278
Energy: 0.6636396819867157
Energy: 0.5474090834494278
Energy: 0.5470747608829518
Energy: 0.5472993845724914
Energy: 0.6746817577468224
Energy: 0.5472993845724914
Energy: 0.5940124986188905
Energy: 0.5469681444272806
Energy: 0.6739355074350941
Energy: 0.546968144428188
Energy: 0.5887376846928541
Energy: 0.6232657351913954
Energy: 0.6480225218054175
Energy: 0.6232657351913954
Energy: 0.5855688167799842
Energy: 0.6042292324525597
Energy: 0.6238569628241397
Energy: 0.6042292324525597
Energy: 0.5951219275090325
Energy: 0.5871199515875751
Energy: 0.6071120095594911
Energy: 0.5871199515866677
Energy: 0.5400760304055519
Energy: 0.5870429595403411
Energy: 0.6073624673289605
Energy: 0.5870429595421558
Energy: 0.5961229760188282
Energy: 0.5560712602176178
Energy: 0.5651053892199847
Energy: 0.5560712602158032
Energy: 0.5974333792563712
Energy: 0.5991826676278312
Energy: 0.6193114079833285
Energy: 0.5991826676269238
Energy: 0.5957221965660584
Energy: 0.5604395545032894
Energy: 0.5807245044997661
Energy: 0.5604395545032894
Energy: 0.5961713696714592
Energy: 0.5793962643553728
Energy: 0.5795261619109336
Energy: 0.5793962643553728
Energy: 0.640170632374105
Energy: 0.5577826308143211
Energy: 0.5440924686592165
Energy: 0.5577826308143211
Energy: 0.6745490572168169
Energy: 0.5457207972229581
Energy: 0.5450703494694553
Energy: 0.5457207972238655
Energy: 0.6626568367822838
Energy: 0.5452510492248442
Energy: 0.5847347531699785
Energy: 0.5452510492257516
Energy: 0.6442295926417059
Energy: 0.6442118725951045
Energy: 0.5889042881222092
Energy: 0.6442118725941971
Energy: 0.624725291832842
Energy: 0.5974342416331725
Energy: 0.5872134754233564
Energy: 0.5974342416358945
Energy: 0.5793682961078367
Energy: 0.5626521709888863
Energy: 0.5775395454271743
Energy: 0.5626521709897936
Energy: 0.599101941888805
Energy: 0.5607321076383146
Energy: 0.5416423295019968
Energy: 0.5607321076374073
Energy: 0.6721101751978236
Energy: 0.6275971983648447
Energy: 0.6279832788833308
Energy: 0.627597198365752

minimum gb energy = 0.5400760304055519 eV
minimum distance =  2.51231933205581 Angstroms
sigma value = 7


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

Energy: 0.7674214977260517
Energy: 0.672537700775417
Energy: 0.6745832754635362
Energy: 0.6725377007734923
Energy: 0.5672824869561807
Energy: 0.6055991727512764
Energy: 0.6421644017388213
Energy: 0.6055991727487102
Energy: 0.5375125185927526
Energy: 0.5384583426458399
Energy: 0.5843336512049997
Energy: 0.5384583426490479
Energy: 0.5396833543152357
Energy: 0.5369676847878901
Energy: 0.6429553838569632
Energy: 0.5369676847891733
Energy: 0.5795107353271642
Energy: 0.5765721363671431
Energy: 0.6444348021627522
Energy: 0.5765721363703509
Energy: 0.5894938310198673
Energy: 0.5577726040117644
Energy: 0.6452986139633361
Energy: 0.5577726040098395
Energy: 0.7150407838600059
Energy: 0.5739293077044652
Energy: 0.5764779623440287
Energy: 0.5739293077006449
Energy: 0.7153226284585215
Energy: 0.5445836583954119
Energy: 0.5774819862577498
Energy: 0.5445836583928456
Energy: 0.667311702901959
Energy: 0.5344643287614804
Energy: 0.5394654020503251
Energy: 0.5344643287640468
Energy: 0.6467740347918425
Energy: 0.6096922027116162
Energy: 0.5418636217114619
Energy: 0.6096922027122579
Energy: 0.6871543641301895
Energy: 0.5889035634709417
Energy: 0.5590065155183033
Energy: 0.5889035634690171
Energy: 0.645778032358186
Energy: 0.646340427646212
Energy: 0.7144713877834641
Energy: 0.646340427643004
Energy: 0.5906928083478421
Energy: 0.5931100156232256
Energy: 0.6187704761301445
Energy: 0.5931100156232256
Energy: 0.5918363277394428
Energy: 0.5754146491449523
Energy: 0.5479621733199128
Energy: 0.5754146491424154
Energy: 0.5934077867345577
Energy: 0.5661568354324708
Energy: 0.5448249114772108
Energy: 0.566156835433754
Energy: 0.7435403060379223
Energy: 0.5950346680036752
Energy: 0.6309064657471574
Energy: 0.5950346680043168
Energy: 0.743983112493897
Energy: 0.5258487243974422
Energy: 0.6363117804191039
Energy: 0.5258487243942634
Energy: 0.56039254515436
Energy: 0.5642584383859323
Energy: 0.5848034384646569
Energy: 0.5642584383840077
Energy: 0.5602093437448996
Energy: 0.5610670876627529
Energy: 0.7012162475416157
Energy: 0.5610670876601866
Energy: 0.5782622661509635
Energy: 0.568981604702362
Energy: 0.6771082894042671
Energy: 0.5689816047055699
Energy: 0.5786700034432197
Energy: 0.5782495373571124
Energy: 0.6442680592612362
Energy: 0.5782495373558292
Energy: 0.7167883082994
Energy: 0.576743824343477
Energy: 0.6229876477299318
Energy: 0.576743824343477
Energy: 0.7178553681599947
Energy: 0.5759369302705578
Energy: 0.5814120658280965
Energy: 0.5759369302686331
Energy: 0.6673186607047126
Energy: 0.5374962554300331
Energy: 0.5405178757509523
Energy: 0.5374962554261834
Energy: 0.6473192886033187
Energy: 0.5404405394836714
Energy: 0.5394579392829533
Energy: 0.5404405394830298
Energy: 0.6705710598889091
Energy: 0.6098058322051052
Energy: 0.580702114423995
Energy: 0.6098058322044636
Energy: 0.6444379565074793
Energy: 0.6470228363357545
Energy: 0.7255685102611974
Energy: 0.6470228363370376
Energy: 0.5918861250046031
Energy: 0.5694591966347007
Energy: 0.580653527297544
Energy: 0.5694591966366255
Energy: 0.5677668024156484
Energy: 0.5556938114074501
Energy: 0.5683302955838523
Energy: 0.5556938114048836
Energy: 0.5906038212309295
Energy: 0.5907094508924531
Energy: 0.5470446237191195
Energy: 0.5907094508937363
Energy: 0.6769571508744483
Energy: 0.6415535543244297
Energy: 0.6458239471222361
Energy: 0.6415535543244297

minimum gb energy = 0.5258487243942634 eV
minimum distance =  2.50793567125384 Angstroms
sigma value = 29


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

Energy: 0.45862239887401424
Energy: 0.6291033779845796
Energy: 0.5486537357214584
Energy: 0.6291033779845796
Energy: 0.6389037868196311
Energy: 0.5183721084492361
Energy: 0.5726941216376529
Energy: 0.5183721084511979
Energy: 0.5478104442941272
Energy: 0.5879847139280446
Energy: 0.46524401887632577
Energy: 0.5879847139273743
Energy: 0.45946256186765155
Energy: 0.4671018313397487
Energy: 0.5731323360828937
Energy: 0.46710183133997213
Energy: 0.5473200301995103
Energy: 0.548231468675664
Energy: 0.45901633550682436
Energy: 0.5482314686750185
Energy: 0.5731858806608205
Energy: 0.5869996279510069
Energy: 0.4588906760387457
Energy: 0.5869996279518761
Energy: 0.4653847387080266
Energy: 0.5874746032198814
Energy: 0.6359384166401284
Energy: 0.5874746032194593
Energy: 0.5725940998838073
Energy: 0.4669753495820183
Energy: 0.45899887923967364
Energy: 0.46697534958288744
Energy: 0.5522284898812881
Energy: 0.467207973875426
Energy: 0.5471341532294458
Energy: 0.46720797387564955

minimum gb energy = 0.45862239887401424 eV
minimum distance =  2.58070375239655 Angstroms
sigma value = 5


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

Energy: 0.6787919896449757
Energy: 0.5563542361402415
Energy: 0.6178093855766635
Energy: 0.5563542361820313
Energy: 0.6613380077384485
Energy: 0.4867369070311051
Energy: 0.5847799323011744
Energy: 0.4867369070317112
Energy: 0.5881573168885427
Energy: 0.5239472771256394
Energy: 0.5850543967641941
Energy: 0.5239472771244273
Energy: 0.49611450160650267
Energy: 0.48671014186873357
Energy: 0.6601737230815016
Energy: 0.48671014186812755
Energy: 0.6246420752938577
Energy: 0.4880458338379052
Energy: 0.5852711870741667
Energy: 0.48804583383851124
Energy: 0.5233298828449181
Energy: 0.4881988144083186
Energy: 0.5853514817482947
Energy: 0.4881988144083186
Energy: 0.4873192286309539
Energy: 0.4868939154258702
Energy: 0.6595855438336502
Energy: 0.4868939154258702
Energy: 0.4867537254041016
Energy: 0.4872314187052001
Energy: 0.6738481865117723
Energy: 0.48723141870580616
Energy: 0.615149976455762
Energy: 0.5542771708639816
Energy: 0.6968622591630451
Energy: 0.5542771708633757
Energy: 0.5867569713127483
Energy: 0.4994595274875145
Energy: 0.49908772820995095
Energy: 0.4994595274887266
Energy: 0.6324351160914741
Energy: 0.4791792483295194
Energy: 0.4811292370191711
Energy: 0.47917924832891334
Energy: 0.6713847263277244
Energy: 0.4807884671422641
Energy: 0.4790909559009943
Energy: 0.480788467141658
Energy: 0.6717614496828547
Energy: 0.4796525847189644
Energy: 0.6434757821510511
Energy: 0.47965258471957045
Energy: 0.6194604437365065
Energy: 0.553426491669875
Energy: 0.5849765968944118
Energy: 0.5534264916692688
Energy: 0.4885306295106922
Energy: 0.4868270579621062
Energy: 0.5865657379568804
Energy: 0.48682705796150016
Energy: 0.4875052269569657
Energy: 0.48727024063909025
Energy: 0.6556160547967541
Energy: 0.48727024063909025
Energy: 0.5252462631420916
Energy: 0.5297887385214366
Energy: 0.49405365831168024
Energy: 0.5297887385226485
Energy: 0.5848856455412978
Energy: 0.4868167292172218
Energy: 0.5998836571659608
Energy: 0.48681672921540364
Energy: 0.5849182964410873
Energy: 0.5257425968204332
Energy: 0.5884647456834821
Energy: 0.5257425968192212
Energy: 0.6593625061611185
Energy: 0.4866246446922586
Energy: 0.49388984414198833
Energy: 0.4866246446922586
Energy: 0.5857383941040837
Energy: 0.48796581603046196
Energy: 0.6227463352138479
Energy: 0.48796581603046196
Energy: 0.5850269109765844
Energy: 0.48779324310573713
Energy: 0.5225974291971646
Energy: 0.48779324310573713
Energy: 0.6406149161964829
Energy: 0.48701277389371916
Energy: 0.4884740742689503
Energy: 0.48701277389371916
Energy: 0.6722945051918103
Energy: 0.4869745044204413
Energy: 0.4867713374469757
Energy: 0.48697450441922924
Energy: 0.6720210648396621
Energy: 0.5542429514816939
Energy: 0.6158767280287633
Energy: 0.5542429514816939
Energy: 0.48017332220144565
Energy: 0.48175944880568855
Energy: 0.5867457171051733
Energy: 0.48175944880690064
Energy: 0.48270541669891776
Energy: 0.47939252362163554
Energy: 0.6150336091156372
Energy: 0.4793925236210294
Energy: 0.4824712856151258
Energy: 0.4792377987509162
Energy: 0.4942076079879957
Energy: 0.4792377987503102
Energy: 0.6442582102892556
Energy: 0.49925053217064413
Energy: 0.6728901302667142
Energy: 0.49925053217064413
Energy: 0.5854007695360026
Energy: 0.5536129051365781
Energy: 0.6183173230355363
Energy: 0.5536129051371842
Energy: 0.5846514986686732
Energy: 0.4868227589847856
Energy: 0.4884480850125938
Energy: 0.48682275898599775
Energy: 0.655321356193585
Energy: 0.4872643660734618
Energy: 0.4897976788086989
Energy: 0.4872643660728558
Energy: 0.4958613521107618
Energy: 0.5269926979475221
Energy: 0.5237467679801453
Energy: 0.5269926979475221

minimum gb energy = 0.4790909559009943 eV
minimum distance =  2.53869846866469 Angstroms
sigma value = 1


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

Energy: 0.8051277300934522
Energy: 0.47964962252347143
Energy: 0.6081321431336
Energy: 0.4796496225276422
Energy: 0.6402389061432261
Energy: 0.4725865828809964
Energy: 0.6021032986464344
Energy: 0.4725865828801585
Energy: 0.6013574401256413
Energy: 0.521665952181261
Energy: 0.6008805552499998
Energy: 0.521665952182937
Energy: 0.5402952038987201
Energy: 0.5639836063689171
Energy: 0.6023864647452766
Energy: 0.563983606370593
Energy: 0.624037281510251
Energy: 0.47565512711307795
Energy: 0.549187877251464
Energy: 0.4756551271139159
Energy: 0.5131468795142573
Energy: 0.4753787110715685
Energy: 0.5502048827799824
Energy: 0.4753787110707305
Energy: 0.4754997746811873
Energy: 0.4751708259998923
Energy: 0.6019952264743481
Energy: 0.4751708260007303
Energy: 0.4821910697380091
Energy: 0.48273522318364814
Energy: 0.65684353816698
Energy: 0.48273522318364814
Energy: 0.5835589014594917
Energy: 0.507523005057614
Energy: 0.6924102961235827
Energy: 0.507523005057614
Energy: 0.6641060844740562
Energy: 0.5336683218334006
Energy: 0.516964261312282
Energy: 0.5336683218350765
Energy: 0.6111870235221415
Energy: 0.4537893448205917
Energy: 0.524889328518039
Energy: 0.4537893448189158
Energy: 0.7030291935631319
Energy: 0.4536086673422548
Energy: 0.5218924261209404
Energy: 0.45360866734309274
Energy: 0.7030718674455972
Energy: 0.45450136623424936
Energy: 0.5290204000269911
Energy: 0.45450136623424936
Energy: 0.6257870868559874
Energy: 0.4536372517444319
Energy: 0.6447088245111658
Energy: 0.453637251743594
Energy: 0.5393211962595148
Energy: 0.5434494406881671
Energy: 0.6424319862026264
Energy: 0.5434494406864914
Energy: 0.5381281124133116
Energy: 0.4748925727259771
Energy: 0.6650985409157888
Energy: 0.4748925727234633
Energy: 0.5715752813068155
Energy: 0.5625762313586522
Energy: 0.5385714367401158
Energy: 0.5625762313586522
Energy: 0.4854546290884027
Energy: 0.47516768734180687
Energy: 0.6545869401327856
Energy: 0.47516768734180687
Energy: 0.47556485203372245
Energy: 0.47511605390077266
Energy: 0.6925140662166963
Energy: 0.4751160539024486
Energy: 0.4754492137196584
Energy: 0.5531678919938846
Energy: 0.6571990411669987
Energy: 0.5531678919938846
Energy: 0.6543703898251899
Energy: 0.4732273398428351
Energy: 0.6644002482991462
Energy: 0.4732273398428351
Energy: 0.6546702302047647
Energy: 0.4729692935740338
Energy: 0.4741467154180016
Energy: 0.47296929357570977
Energy: 0.6758747649487304
Energy: 0.47299274500482175
Energy: 0.4744772427683091
Energy: 0.4729927450056597
Energy: 0.6564561459750422
Energy: 0.4741265311216565
Energy: 0.4965756587247758
Energy: 0.4741265311224945

minimum gb energy = 0.4536086673422548 eV
minimum distance =  2.50484369786416 Angstroms
sigma value = 17


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

Energy: 0.7885824527091602
Energy: 0.5065733811473242
Energy: 0.6187644190665422
Energy: 0.5065733803987305
Energy: 0.5543441328457828
Energy: 0.4629637335798274
Energy: 0.5491192438724807
Energy: 0.46296373358241705
Energy: 0.6220214392151384
Energy: 0.5516620795021809
Energy: 0.5456492103112695
Energy: 0.5516620795016629
Energy: 0.619691857973556
Energy: 0.4891063408759802
Energy: 0.5071155719587856
Energy: 0.48910634087753396
Energy: 0.6946739813936863
Energy: 0.45764265543288035
Energy: 0.6844117947463804
Energy: 0.45764265543339827
Energy: 0.4736948989920116
Energy: 0.457742420192543
Energy: 0.689344393705935
Energy: 0.4577424201930609
Energy: 0.4585860993501924
Energy: 0.45720616170676526
Energy: 0.5047910328699526
Energy: 0.45720616170676526
Energy: 0.4646555267242376
Energy: 0.46952066907420703
Energy: 0.7534839593040121
Energy: 0.46952066907420703
Energy: 0.6895469134834159
Energy: 0.45789341743333817
Energy: 0.7010412851447069
Energy: 0.45789341743385614
Energy: 0.5443250286220667
Energy: 0.49017693177956195
Energy: 0.5528272827104194
Energy: 0.49017693177956195
Energy: 0.6917045473220872
Energy: 0.46306940793775403
Energy: 0.4675038046388068
Energy: 0.4630694079387899
Energy: 0.6879579984700213
Energy: 0.4633355003884902
Energy: 0.5800920067219787
Energy: 0.4633355003890081
Energy: 0.6867730456080356
Energy: 0.5036121059484185
Energy: 0.495344735380521
Energy: 0.5036121059468646
Energy: 0.632450625875855
Energy: 0.46291721152522
Energy: 0.46517129675711355
Energy: 0.46291721152573784
Energy: 0.618389892365478
Energy: 0.46375850851022365
Energy: 0.4673686210434043
Energy: 0.4637585085081519
Energy: 0.7495907097574815
Energy: 0.46277276097233666
Energy: 0.6914496845214018
Energy: 0.46277276097078285
Energy: 0.46372066719811905
Energy: 0.5520300218152365
Energy: 0.706998251952835
Energy: 0.5520300218142007
Energy: 0.46569115808633843
Energy: 0.4631911767202122
Energy: 0.7243135012242401
Energy: 0.4631911767212481
Energy: 0.479165133422364
Energy: 0.46343215998788406
Energy: 0.6983588425924894
Energy: 0.46343215998736614
Energy: 0.610794111078514
Energy: 0.5070521697454626
Energy: 0.7892637972813319
Energy: 0.5070521697449446
Energy: 0.5471547837015598
Energy: 0.4629430840981268
Energy: 0.6284767333332865
Energy: 0.46294308409605506
Energy: 0.54732667370476
Energy: 0.5520952188964605
Energy: 0.6194765981135492
Energy: 0.5520952188954247
Energy: 0.5048325422247093
Energy: 0.48813646092560614
Energy: 0.6181329766312357
Energy: 0.48813646092560614
Energy: 0.6948859558313811
Energy: 0.46953070338405384
Energy: 0.5806762815616273
Energy: 0.46953070338612557
Energy: 0.6877795223746892
Energy: 0.4577537855275908
Energy: 0.4711460569882729
Energy: 0.4577537855265549
Energy: 0.5605976795039059
Energy: 0.4574112760047426
Energy: 0.45963674239485036
Energy: 0.4574112760057785
Energy: 0.7891260227226073
Energy: 0.46970590717608784
Energy: 0.45835108722156276
Energy: 0.469705907175052
Energy: 0.6963898954642609
Energy: 0.48960266184083795
Energy: 0.6886488757201596
Energy: 0.4896026618423917
Energy: 0.5527884173378754
Energy: 0.48868223484523127
Energy: 0.5483234270284897
Energy: 0.48868223484367745
Energy: 0.4684456921506884
Energy: 0.4630290928878169
Energy: 0.6921627468222528
Energy: 0.46302909288678107
Energy: 0.5830145379396167
Energy: 0.46345688150698133
Energy: 0.6852077365840227
Energy: 0.46345688150594544
Energy: 0.4933772907116948
Energy: 0.47693933053596493
Energy: 0.6852253728444438
Energy: 0.47693933053700077
Energy: 0.46341639477348434
Energy: 0.46291965154953935
Energy: 0.6901811288725064
Energy: 0.4629196515531648
Energy: 0.463206994900768
Energy: 0.4636615367887798
Energy: 0.6190926187861727
Energy: 0.46366153678981564
Energy: 0.6921454635959772
Energy: 0.46266830193777053
Energy: 0.7486776001132642
Energy: 0.4626683019393243
Energy: 0.7046972783962169
Energy: 0.4632514338085547
Energy: 0.463783666674226
Energy: 0.4632514338106264
Energy: 0.7232020599148753
Energy: 0.4631045239662789
Energy: 0.4639224425124826
Energy: 0.46310452396576096
Energy: 0.6265255021991263
Energy: 0.4636623339816899
Energy: 0.503254799281651
Energy: 0.4636623339827257

minimum gb energy = 0.45720616170676526 eV
minimum distance =  2.52005348017591 Angstroms
sigma value = 89


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

Energy: 0.8365240869972962
Energy: 0.41523038255253125
Energy: 0.4158602260091612
Energy: 0.41523038255388645
Energy: 0.5991728251552453
Energy: 0.4590608972675023
Energy: 0.5921660985629579
Energy: 0.4590608972661472
Energy: 0.41191615026937217
Energy: 0.4598472019971039
Energy: 0.5995108988817792
Energy: 0.4598472019971039
Energy: 0.41461043886746024
Energy: 0.45861046438510433
Energy: 0.5994187810691103
Energy: 0.45861046438510433
Energy: 0.47500413345725373
Energy: 0.41570759406740265
Energy: 0.5974417789622917
Energy: 0.41570759406740265
Energy: 0.41562045213924653
Energy: 0.41590839482324726
Energy: 0.5970055467834866
Energy: 0.41590839482324726
Energy: 0.4162263534329529
Energy: 0.41513063337728284
Energy: 0.5990204715845686
Energy: 0.41513063337592765
Energy: 0.41550107344352777
Energy: 0.4156634345289314
Energy: 0.7668757146503626
Energy: 0.4156634345289314
Energy: 0.5924517421966635
Energy: 0.41543484003430337
Energy: 0.7687461145929757
Energy: 0.41543484003430337
Energy: 0.6002941487183269
Energy: 0.45898131560358146
Energy: 0.5991298094256782
Energy: 0.45898131560358146
Energy: 0.5915887458457224
Energy: 0.4586479728143504
Energy: 0.41175813761810703
Energy: 0.45864797281299524
Energy: 0.5972777747553458
Energy: 0.4155937819057491
Energy: 0.5995412928690613
Energy: 0.41559378190439394
Energy: 0.5985502802750614
Energy: 0.41604770152031684
Energy: 0.4155136399561831
Energy: 0.41604770152031684
Energy: 0.773875705909129
Energy: 0.41505233276807196
Energy: 0.4150696268315937
Energy: 0.41505233276807196
Energy: 0.7669311976409477
Energy: 0.41573720201193254
Energy: 0.415445815819916
Energy: 0.41573720201193254

minimum gb energy = 0.41175813761810703 eV
minimum distance =  2.56219645791849 Angstroms
sigma value = 13


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

Energy: 0.7469204032060531
Energy: 0.40664381750488177
Energy: 0.41011547659252545
Energy: 0.4066438168775259
Energy: 0.6523121502220608
Energy: 0.4067207130766131
Energy: 0.4983309549638346
Energy: 0.4067207130766131
Energy: 0.7187833281735909
Energy: 0.40664518839252356
Energy: 0.49603534387197906
Energy: 0.40664518839649944
Energy: 0.5697867427114583
Energy: 0.40685240861469824
Energy: 0.5949908985050384
Energy: 0.40685240861697025
Energy: 0.5958491682647786
Energy: 0.4064715458465866
Energy: 0.6520935554605467
Energy: 0.4064715458426364
Energy: 0.49685347788278794
Energy: 0.40659759618107477
Energy: 0.6495460448039527
Energy: 0.40659759618334673
Energy: 0.4970672740753331
Energy: 0.40655230810506476
Energy: 0.6421060375331958
Energy: 0.4065523081039288
Energy: 0.49505032815963174
Energy: 0.4072390617901598
Energy: 0.778362923517993
Energy: 0.4072390617901598
Energy: 0.40717916343162275
Energy: 0.40712239695576175
Energy: 0.7749099470445038
Energy: 0.4071223969631458
Energy: 0.40910112087063133
Energy: 0.4070252238721353
Energy: 0.7748255895137458
Energy: 0.40702522386645534
Energy: 0.40722802936351227
Energy: 0.40703308615444583
Energy: 0.7466606136566678
Energy: 0.4070330861499018
Energy: 0.6502537021918919
Energy: 0.42994300329460683
Energy: 0.7747320346869283
Energy: 0.42994300329744684
Energy: 0.6528602603712093
Energy: 0.42857778564694604
Energy: 0.6512192921496085
Energy: 0.42857778564694604
Energy: 0.6443477256602785
Energy: 0.4303182684323663
Energy: 0.5784621293327303
Energy: 0.43031826843066234
Energy: 0.7791433598581284
Energy: 0.40711783802954
Energy: 0.5935489294833682
Energy: 0.40711783802329193
Energy: 0.7778556143731504
Energy: 0.4072942233335034
Energy: 0.4070526292880893
Energy: 0.4072942233335034
Energy: 0.6430017330843376
Energy: 0.4069975338578687
Energy: 0.40963870051280293
Energy: 0.40699753386070864
Energy: 0.7491280386024867
Energy: 0.407049673020578
Energy: 0.4221766344416738
Energy: 0.407049673026258
Energy: 0.8304384790325232
Energy: 0.4072257635459407
Energy: 0.5133146516788544
Energy: 0.4072257635465087
Energy: 0.7759012363951258
Energy: 0.40654920291789354
Energy: 0.49056746881078156
Energy: 0.4065492029190296
Energy: 0.5679034969074239
Energy: 0.407210097559227
Energy: 0.5094430614810119
Energy: 0.40721009755300475
Energy: 0.776027211963477
Energy: 0.4062407945569554
Energy: 0.6499673966786655
Energy: 0.40624079456036344
Energy: 0.49566019053565397
Energy: 0.40665060501863115
Energy: 0.6526263889832477
Energy: 0.4066506050157911
Energy: 0.41052140792533903
Energy: 0.40645471220664925
Energy: 0.7673838907819087
Energy: 0.4064547122038093
Energy: 0.49518615598253424
Energy: 0.40715410434895627
Energy: 0.7815817866046583
Energy: 0.4071541043483883
Energy: 0.4258380089513824
Energy: 0.4073225149026012
Energy: 0.7766747269379862
Energy: 0.40732251490714516
Energy: 0.40716180134913044
Energy: 0.40681745150110343
Energy: 0.7770833178669797
Energy: 0.4068174514988315
Energy: 0.40706935158760155
Energy: 0.40718990303614516
Energy: 0.7296098515110719
Energy: 0.40718990303444114
Energy: 0.6509655959693225
Energy: 0.4073062234412896
Energy: 0.8307561683914323
Energy: 0.4073062234401536
Energy: 0.4896901574579803
Energy: 0.4304478127834184
Energy: 0.6516699146948153
Energy: 0.43044781278569044
Energy: 0.6440795564164308
Energy: 0.43282635990296364
Energy: 0.5681040773890531
Energy: 0.43282635990691387
Energy: 0.7774101124973927
Energy: 0.4070527662657578
Energy: 0.6523297603223038
Energy: 0.4070527662657578
Energy: 0.779638009763727
Energy: 0.4073031003371296
Energy: 0.4069284169023205
Energy: 0.40730310033599354
Energy: 0.8207095941203709
Energy: 0.40693799492109756
Energy: 0.4073870568873503
Energy: 0.40693799492223354
Energy: 0.8286998103606101
Energy: 0.4075314609512442
Energy: 0.422203862957673
Energy: 0.4075314609506762

minimum gb energy = 0.4062407945569554 eV
minimum distance =  2.54718855957527 Angstroms
sigma value = 37


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

Energy: 0.726459898273543
Energy: 0.3872347499707043
Energy: 0.3872451519600716
Energy: 0.3872347499560459
Energy: 0.7495372178565541
Energy: 0.38728127013729086
Energy: 0.5300152019470717
Energy: 0.38728127013729086
Energy: 0.6990520908949291
Energy: 0.3882013614831388
Energy: 0.5290465127590878
Energy: 0.3882013614831388
Energy: 0.698571933055351
Energy: 0.430772409110367
Energy: 0.6005067429433957
Energy: 0.4307724091123215
Energy: 0.6712610096480143
Energy: 0.3824826696377656
Energy: 0.5851131479945322
Energy: 0.38248266963972005
Energy: 0.4504504391894001
Energy: 0.3817965607700882
Energy: 0.7583077525868938
Energy: 0.3817965607710654
Energy: 0.4401889624181571
Energy: 0.3823451414533724
Energy: 0.6337640774646878
Energy: 0.3823451414523951
Energy: 0.5122990519760965
Energy: 0.381760193822004
Energy: 0.795250454941666
Energy: 0.3817601938229812
Energy: 0.4396018788426825
Energy: 0.38181357754500395
Energy: 0.7962088451125058
Energy: 0.38181357754500395
Energy: 0.4392659243347944
Energy: 0.36945705399579754
Energy: 0.8424604326830684
Energy: 0.3694570539948203
Energy: 0.4739065686517866
Energy: 0.4743710802135154
Energy: 0.6473774506714665
Energy: 0.47437108021253815
Energy: 0.5769815338689189
Energy: 0.36959418829445206
Energy: 0.8421124172162253
Energy: 0.36959418829445206
Energy: 0.5874910202825188
Energy: 0.3823162798460217
Energy: 0.6989946113776346
Energy: 0.3823162798460217
Energy: 0.6719988286905214
Energy: 0.4249708781048582
Energy: 0.698875098981234
Energy: 0.42497087810388096
Energy: 0.5851131479945322
Energy: 0.42518221148975116
Energy: 0.6467175489807507
Energy: 0.42518221148975116
Energy: 0.7492334415941072
Energy: 0.4254456868248958
Energy: 0.44014541001930074
Energy: 0.4254456868239186
Energy: 0.6703408382551961
Energy: 0.4893233227036138
Energy: 0.4402208469711462
Energy: 0.4893233227055682
Energy: 0.7952504549406888
Energy: 0.38791421652883107
Energy: 0.47815713445561403
Energy: 0.38791421652883107
Energy: 0.7962088451125058
Energy: 0.38758897552430716
Energy: 0.38738493372721583
Energy: 0.38758897552430716
Energy: 0.8021075696209896
Energy: 0.3875761391239096
Energy: 0.38754390287471724
Energy: 0.3875761391239096

minimum gb energy = 0.3694570539948203 eV
minimum distance =  2.53428905838807 Angstroms
sigma value = 25


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

Energy: 0.8361512491345532
Energy: 0.3500299196431453
Energy: 0.3500593979768133
Energy: 0.3500299259014724
Energy: 0.8128733192730971
Energy: 0.35040962594149894
Energy: 0.463348314196194
Energy: 0.35040962594149894
Energy: 0.767194790607128
Energy: 0.35013712519061585
Energy: 0.4626487896958371
Energy: 0.3501371251929051
Energy: 0.6021324028092248
Energy: 0.351491567171115
Energy: 0.6318122673308949
Energy: 0.3514915671718781
Energy: 0.7315756517337698
Energy: 0.3842757884112978
Energy: 0.6466710244416279
Energy: 0.3842757884120609
Energy: 0.6045044379586483
Energy: 0.46313399943363615
Energy: 0.6470049114976197
Energy: 0.46313399943287314
Energy: 0.605142912506843
Energy: 0.34909597180366764
Energy: 0.7338162176964368
Energy: 0.34909597180519386
Energy: 0.5638385275894494
Energy: 0.3495624099698317
Energy: 0.6827628611504685
Energy: 0.34956240997059485
Energy: 0.4484275847077359
Energy: 0.34891366338680724
Energy: 0.817952788880834
Energy: 0.34891366338757035
Energy: 0.4475745247323303
Energy: 0.34901295520769215
Energy: 0.7227159837098709
Energy: 0.34901295520921827
Energy: 0.39371820839887794
Energy: 0.34900800790596426
Energy: 0.7144893596187928
Energy: 0.34900800790443803
Energy: 0.39375753253402257
Energy: 0.3487165518877922
Energy: 0.7228860090874106
Energy: 0.3487165518877922
Energy: 0.3971206591495967
Energy: 0.3421885217351791
Energy: 0.903147464131991
Energy: 0.3421885217351791
Energy: 0.49189176150609837
Energy: 0.3424440516850505
Energy: 0.7200813006817055
Energy: 0.3424440516865767
Energy: 0.5074576272823071
Energy: 0.342292215640817
Energy: 0.7226776725114189
Energy: 0.3422922156400539
Energy: 0.4971686324101975
Energy: 0.3489146278869339
Energy: 0.7692250667436162
Energy: 0.3489146278831185
Energy: 0.636200559027989
Energy: 0.35086958812856156
Energy: 0.7673530587154108
Energy: 0.35086958812703545
Energy: 0.4950854947532448
Energy: 0.3820468860665646
Energy: 0.7221743853197301
Energy: 0.3820468860711431
Energy: 0.6378183863883662
Energy: 0.38174569158952215
Energy: 0.604413556782772
Energy: 0.3817456915857067
Energy: 0.8125472795170098
Energy: 0.43341609665996095
Energy: 0.6046568720360725
Energy: 0.4334160966584348
Energy: 0.7148586018274967
Energy: 0.4579611637856611
Energy: 0.4542428064109414
Energy: 0.45796116378337187
Energy: 0.8122423636005429
Energy: 0.3502246585897098
Energy: 0.395468085122176
Energy: 0.350224658591999
Energy: 0.8578950705674523
Energy: 0.3504259803736666
Energy: 0.4618568948638627
Energy: 0.3504259803751928
Energy: 0.7159593287214822
Energy: 0.3507963018766161
Energy: 0.35031466335334743
Energy: 0.35079630187585303
Energy: 0.8216404014617243
Energy: 0.35027317522614265
Energy: 0.35195143396091877
Energy: 0.35027317522461643
Energy: 0.7681737919909164
Energy: 0.3506141621949797
Energy: 0.35029526569929836
Energy: 0.3506141621965059

minimum gb energy = 0.3421885217351791 eV
minimum distance =  2.54358093909888 Angstroms
sigma value = 41


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

Energy: 0.8527533246892051
Energy: 0.32029045020918334
Energy: 0.3203339596707557
Energy: 0.32029044887283725
Energy: 0.8627741891976448
Energy: 0.32039836271602085
Energy: 0.4142954383519162
Energy: 0.32039836271664646
Energy: 0.7827876083401974
Energy: 0.31991535251868586
Energy: 0.39966062400578206
Energy: 0.31991535251868586
Energy: 0.6554839016765894
Energy: 0.320057593842112
Energy: 0.5516813819182678
Energy: 0.3200575938402352
Energy: 0.7914739106680121
Energy: 0.419988270775302
Energy: 0.5693619971696802
Energy: 0.419988270775302
Energy: 0.6318028690959225
Energy: 0.51148915870725
Energy: 0.5686299433642412
Energy: 0.5114891587078755
Energy: 0.6340473338320954
Energy: 0.42547968239394407
Energy: 0.7123305265058111
Energy: 0.42547968239394407
Energy: 0.6447006792205219
Energy: 0.4248986474443782
Energy: 0.5681303102309088
Energy: 0.4248986474437525
Energy: 0.49931147896665934
Energy: 0.42117660731746376
Energy: 0.7088881279091461
Energy: 0.42117660731746376
Energy: 0.5029176203290306
Energy: 0.42039038112001653
Energy: 0.8627074031595663
Energy: 0.420390381119391
Energy: 0.40106981809860376
Energy: 0.32043122871298235
Energy: 0.7531734383430275
Energy: 0.32043122871173113
Energy: 0.41206039903263625
Energy: 0.31980271163085283
Energy: 0.8624519228204146
Energy: 0.31980271163147844
Energy: 0.4030731566497604
Energy: 0.3207427827990881
Energy: 0.8626509701487703
Energy: 0.3207427827990881
Energy: 0.3204254109344062
Energy: 0.3205770013456043
Energy: 0.7078781621067874
Energy: 0.3205770013456043
Energy: 0.3221539945537211
Energy: 0.3208019623935547
Energy: 0.8649577273516541
Energy: 0.32080196239230346
Energy: 0.32099966996808416
Energy: 0.32070251829562646
Energy: 0.7838820357302028
Energy: 0.3207025182950009
Energy: 0.40189414450313987
Energy: 0.32091485082349785
Energy: 0.7867713664600539
Energy: 0.3209148508222467
Energy: 0.4004906234465846
Energy: 0.32041684314245855
Energy: 0.7913849150375099
Energy: 0.32041684314245855
Energy: 0.4042724790293067
Energy: 0.3201652776323022
Energy: 0.6330949519758056
Energy: 0.3201652776323022
Energy: 0.5584579949738424
Energy: 0.32041646222462944
Energy: 0.6315154808235275
Energy: 0.32041646222462944
Energy: 0.5665288391677289
Energy: 0.4197680063349098
Energy: 0.7047651467385763
Energy: 0.4197680063361326
Energy: 0.5588091242499044
Energy: 0.4257086461504438
Energy: 0.6356847407239239
Energy: 0.4257086461504438
Energy: 0.7088084746697564
Energy: 0.5108685304383342
Energy: 0.6324389550133076
Energy: 0.5108685304389597
Energy: 0.5580680011132632
Energy: 0.42477617742244117
Energy: 0.5584008586851884
Energy: 0.42477617742181556
Energy: 0.7088407159274989
Energy: 0.42197279287183415
Energy: 0.47902609510801275
Energy: 0.42197279287183415
Energy: 0.7083115973365998
Energy: 0.4203290588917239
Energy: 0.5571770125537435
Energy: 0.42032905889109823
Energy: 0.7110577449123253
Energy: 0.32055175780494716
Energy: 0.4043281385229191
Energy: 0.3205517578043216
Energy: 0.7927911022774997
Energy: 0.322411392690187
Energy: 0.39951709148776315
Energy: 0.32241139269081254
Energy: 0.7101496806830191
Energy: 0.3209826639360483
Energy: 0.4009721598135847
Energy: 0.32098266393667385
Energy: 0.7087811975775267
Energy: 0.3207000563629632
Energy: 0.32070853155915924
Energy: 0.3207000563629632
Energy: 0.8648640655362961
Energy: 0.3206834790274075
Energy: 0.32168524599672393
Energy: 0.32068347902678185
Energy: 0.7821773739410349
Energy: 0.32071108549853994
Energy: 0.32091672603174154
Energy: 0.3207110854979143

minimum gb energy = 0.31980271163085283 eV
minimum distance =  2.55799340045863 Angstroms
sigma value = 15


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

Energy: 0.7345301406940148
Energy: 0.30161084715304254
Energy: 0.3012366136986593
Energy: 0.3016106971522047
Energy: 0.8996424955526622
Energy: 0.3010321946553943
Energy: 0.3674729038782471
Energy: 0.30103219465645426
Energy: 0.830386180288726
Energy: 0.3026207809390988
Energy: 0.37300854740287287
Energy: 0.3026207809390988
Energy: 0.6995677032075924
Energy: 0.30214648720114506
Energy: 0.49737139307221306
Energy: 0.30214648720167503
Energy: 0.8364317689440928
Energy: 0.38927193716104835
Energy: 0.5121037224116742
Energy: 0.3892719371599885
Energy: 0.6938472638287482
Energy: 0.47015757057047597
Energy: 0.5135610580073227
Energy: 0.470157570569946
Energy: 0.5670242444572475
Energy: 0.38696249764647356
Energy: 0.6359921320636084
Energy: 0.38696249764647356
Energy: 0.7043950761388537
Energy: 0.4756737741584807
Energy: 0.505485990166475
Energy: 0.47567377415901074
Energy: 0.5662951271136271
Energy: 0.4745308490881707
Energy: 0.6325973138546754
Energy: 0.4745308490897607
Energy: 0.5660679334442578
Energy: 0.47472522565436426
Energy: 0.7643792340439245
Energy: 0.47472522565436426
Energy: 0.5059969146729488
Energy: 0.38769405935790013
Energy: 0.6547286889638984
Energy: 0.3876940593563102
Energy: 0.43558616139887624
Energy: 0.38858619390608407
Energy: 0.7647755360943914
Energy: 0.38858619390767396
Energy: 0.5020202289660936
Energy: 0.3878839781311986
Energy: 0.7622513175098798
Energy: 0.3878839781311986
Energy: 0.3702823156235167
Energy: 0.3016617477738647
Energy: 0.6389704803022669
Energy: 0.3016617477743947
Energy: 0.3682894726894272
Energy: 0.30224926514393563
Energy: 0.9007781947391468
Energy: 0.30224926514287564
Energy: 0.37252081438337475
Energy: 0.3016643797843537
Energy: 0.7640309118042742
Energy: 0.3016643797838237
Energy: 0.3013375149325303
Energy: 0.3018486640171729
Energy: 0.7665006031968751
Energy: 0.30184866401664295
Energy: 0.3013347855629058
Energy: 0.3013067958250145
Energy: 0.8364740437583225
Energy: 0.3013067958239546
Energy: 0.3018539459019884
Energy: 0.3016766688789302
Energy: 0.6959039984153632
Energy: 0.30167666887787026
Energy: 0.3732316475611013
Energy: 0.30150436128596914
Energy: 0.8330002254242683
Energy: 0.3015043612864991
Energy: 0.36660555841094794
Energy: 0.3026235175100115
Energy: 0.902436044663163
Energy: 0.3026235175110714
Energy: 0.37381075073987075
Energy: 0.3019181870604935
Energy: 0.698308766389693
Energy: 0.30191818705996354
Energy: 0.5025177842115401
Energy: 0.38756550617887037
Energy: 0.6944509291527161
Energy: 0.38756550617887037
Energy: 0.5033242555858398
Energy: 0.38841670146965723
Energy: 0.7667115803973904
Energy: 0.38841670146965723
Energy: 0.49963446115817794
Energy: 0.30233592878358356
Energy: 0.5754570995384971
Energy: 0.30233592878358356
Energy: 0.6304828185161823
Energy: 0.4750186257189496
Energy: 0.7645560259999846
Energy: 0.4750186257194795
Energy: 0.5027681223125435
Energy: 0.4744112867835836
Energy: 0.6343427528852984
Energy: 0.4744112867835836
Energy: 0.6276561432216508
Energy: 0.4767341974540805
Energy: 0.577571832317438
Energy: 0.4767341974540805
Energy: 0.6313940893501024
Energy: 0.3871000164791525
Energy: 0.6301993463509149
Energy: 0.3871000164802124
Energy: 0.6304009201792965
Energy: 0.38721556849347016
Energy: 0.5153209865319486
Energy: 0.38721556849506006
Energy: 0.8361294452230787
Energy: 0.3894756967610408
Energy: 0.43583588594032047
Energy: 0.3894756967626307
Energy: 0.6333998272401645
Energy: 0.30140373437204726
Energy: 0.5000594615315621
Energy: 0.3014037343731072
Energy: 0.7622960835824353
Energy: 0.30322780906979674
Energy: 0.38378687509271686
Energy: 0.30322780906820684
Energy: 0.8363079674184383
Energy: 0.30098101243923475
Energy: 0.3825499966389317
Energy: 0.3009810124381749
Energy: 0.7645237351731005
Energy: 0.3014715651996877
Energy: 0.43248893868682203
Energy: 0.30147156520175944
Energy: 0.8988086120291455
Energy: 0.30150495693539037
Energy: 0.3053199103158368
Energy: 0.30150495693645035
Energy: 0.8296378032073919
Energy: 0.3016276491657715
Energy: 0.3057935463279713
Energy: 0.3016276491657715

minimum gb energy = 0.3009810124381749 eV
minimum distance =  2.5534015511476 Angstroms
sigma value = 85


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

Energy: 0.8201315726640921
Energy: 0.2747083114466607
Energy: 0.2745627671973485
Energy: 0.2747083506036548
Energy: 0.9174514872554254
Energy: 0.27458382205277354
Energy: 0.33110787396799324
Energy: 0.2745838220523139
Energy: 0.7628329535548536
Energy: 0.2746865897642333
Energy: 0.3312444471250082
Energy: 0.27468658976607196
Energy: 0.6433209013361557
Energy: 0.2746843099719698
Energy: 0.4446270786518041
Energy: 0.27468430997151017
Energy: 0.8620505515064979
Energy: 0.35171379166337324
Energy: 0.4531064568293888
Energy: 0.35171379166199424
Energy: 0.6436007644459885
Energy: 0.3519838823850762
Energy: 0.45365072505695037
Energy: 0.35198388238369727
Energy: 0.6458944377748768
Energy: 0.35186830181742185
Energy: 0.5584654269521043
Energy: 0.35186830182017975
Energy: 0.7491164954269973
Energy: 0.4296275827211143
Energy: 0.47883841938098576
Energy: 0.4296275827211143
Energy: 0.6452148847466709
Energy: 0.4354039382989215
Energy: 0.560890743361971
Energy: 0.43540393830076
Energy: 0.6445967156347444
Energy: 0.4321960612337043
Energy: 0.6758394046583324
Energy: 0.4321960612318657
Energy: 0.5560711501227527
Energy: 0.4318699050114011
Energy: 0.6073166237603154
Energy: 0.4318699050109415
Energy: 0.5329799275551292
Energy: 0.4293218358936761
Energy: 0.6759527676451104
Energy: 0.4293218358968727
Energy: 0.5635871695317253
Energy: 0.4292104655281624
Energy: 0.7036786241689659
Energy: 0.4292104655244852
Energy: 0.4471289633927746
Energy: 0.2751075378157368
Energy: 0.5904942053355701
Energy: 0.27510753781665614
Energy: 0.41740011687543344
Energy: 0.3210306321526782
Energy: 0.796362023029408
Energy: 0.3210306321535975
Energy: 0.4469515673781075
Energy: 0.3212848199813389
Energy: 0.7026113932398891
Energy: 0.3212848199836371
Energy: 0.3330634556101338
Energy: 0.3143832567368357
Energy: 0.7022372862453404
Energy: 0.3143832567395936
Energy: 0.33214645061691067
Energy: 0.3146392133036852
Energy: 0.8312461133377246
Energy: 0.31463921330276595
Energy: 0.3330091859930202
Energy: 0.27496733449973354
Energy: 0.8230933707002818
Energy: 0.27496733449789484
Energy: 0.30186330522134286
Energy: 0.27461503339118903
Energy: 0.8230570615715317
Energy: 0.27461503339164867
Energy: 0.3022600787685357
Energy: 0.27293556867220364
Energy: 0.9486726554496714
Energy: 0.27293556867174407
Energy: 0.3031118688790986
Energy: 0.2739128148437727
Energy: 0.7311788682383059
Energy: 0.27391281484009555
Energy: 0.37535097784576094
Energy: 0.27305591577703475
Energy: 0.854943015719697
Energy: 0.27305591577703475
Energy: 0.35850217629251996
Energy: 0.2746280026538935
Energy: 0.8561889281884246
Energy: 0.2746280026538935
Energy: 0.3623685430279169
Energy: 0.27472667295239256
Energy: 0.6753771122541464
Energy: 0.2747266729533118
Energy: 0.4490292308699537
Energy: 0.38813690832939124
Energy: 0.885639553816671
Energy: 0.3881369083303105
Energy: 0.44893857856993974
Energy: 0.3881434340552039
Energy: 0.7646300446441403
Energy: 0.38814343405658286
Energy: 0.5592581106558118
Energy: 0.3886786743591714
Energy: 0.6438984267061586
Energy: 0.3886786743591714
Energy: 0.5637534404032095
Energy: 0.4028238693379921
Energy: 0.7758586154079685
Energy: 0.4028238693402903
Energy: 0.5636759610720801
Energy: 0.40267638390988875
Energy: 0.6452128018415287
Energy: 0.4026763839080501
Energy: 0.6743183363994336
Energy: 0.40574634378023156
Energy: 0.5328795271067679
Energy: 0.4057463437793123
Energy: 0.586692110775091
Energy: 0.43128341775711493
Energy: 0.6755494762166578
Energy: 0.43128341775941315
Energy: 0.6778726397119554
Energy: 0.42964453097014815
Energy: 0.5320326666549444
Energy: 0.4296445309678499
Energy: 0.798255741213164
Energy: 0.42963677461684885
Energy: 0.5316906822643879
Energy: 0.42963677461868743
Energy: 0.6067344845524005
Energy: 0.35177748360687117
Energy: 0.5757634335421785
Energy: 0.3517774836050325
Energy: 0.7978129301709737
Energy: 0.35195616433559945
Energy: 0.44897861092390645
Energy: 0.3519561643369783
Energy: 0.8241585606309683
Energy: 0.3515632397761657
Energy: 0.44863552425647196
Energy: 0.3515632397766254
Energy: 0.7023490747213429
Energy: 0.27484720973889015
Energy: 0.33451636348262914
Energy: 0.2748472097347534
Energy: 0.9178026318148615
Energy: 0.2747091725548339
Energy: 0.3324687973052556
Energy: 0.2747091725525357
Energy: 0.8244342557218063
Energy: 0.27505542846713965
Energy: 0.3344123500574042
Energy: 0.27505542846484143
Energy: 0.7022200116528525
Energy: 0.2756130025544044
Energy: 0.2753994310065708
Energy: 0.27561300255578336
Energy: 0.8925164863657916
Energy: 0.27492800979063664
Energy: 0.2751702091447308
Energy: 0.27492800978879806
Energy: 0.764206942797963
Energy: 0.275412793205957
Energy: 0.27511870535588545
Energy: 0.27541279320641665

minimum gb energy = 0.27293556867174407 eV
minimum distance =  2.55886046973279 Angstroms
sigma value = 113


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

Energy: 0.011660026429724597
Energy: 0.34669282903798543
Energy: 0.7965402794714989
Energy: 0.34669282903763204
Energy: 0.5110703884730258
Energy: 0.06396023568680016
Energy: 0.5101850572326206
Energy: 0.06396023568750686
Energy: 0.012042797737517172
Energy: 0.0631025450537061
Energy: 0.5080040298571546
Energy: 0.0631025450537061
Energy: 0.013161651493764547
Energy: 0.0625803109730496
Energy: 0.5082018171490225
Energy: 0.0625803109730496
Energy: 0.5087930609091775
Energy: 0.06328621989747
Energy: 0.5079746781937619
Energy: 0.06328621989815707
Energy: 0.011966570143150581
Energy: 0.06289557467283319
Energy: 0.5085103543661439
Energy: 0.0628955746731669

minimum gb energy = 0.011660026429724597 eV
minimum distance =  2.82775324646946 Angstroms
sigma value = 1