Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.619999974966049
cohesive_energy=3.54027843854009
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.482639837513894e-19, 2.1870512142417e-19, 2.70541944240606e-19, 3.1307012081350197e-19, 3.4900854489075595e-19, 3.7991453216061596e-19, 4.06783034312796e-19, 4.30306191653184e-19, 4.50985485468222e-19, 4.6920223379680195e-19, 4.85257645846116e-19, 4.9939044593463e-19, 5.117832821986199e-19, 5.22516263469786e-19, 5.31821705360058e-19, 5.398550190029339e-19, 5.467075284665519e-19, 5.5245293387607595e-19, 5.57160128826768e-19, 5.608915982073539e-19, 5.637066225532919e-19, 5.656596758701379e-19, 5.66798823456912e-19, 5.67170528436e-19, 5.66771586454134e-19, 5.65486640793666e-19, 5.631570759678299e-19, 5.596002438403499e-19, 5.54595044035734e-19, 5.4788032176264e-19, 5.39138846047536e-19, 5.27994105381432e-19, 5.139814685404679e-19, 4.96536969349476e-19, 4.7497167185583595e-19, 4.4842520720709e-19, 4.1583212794162794e-19, 3.7584660568689e-19, 3.2676392450429996e-19, 2.6639711328844797e-19, 1.9190230851398397e-19, 9.95546097245214e-20, -1.5625596123710817e-20, -1.60430752892322e-19, -3.4490857488435e-19, -5.8517899380216e-19, -9.087049193291459e-19, -1.3652932164864659e-18, -2.05141094040726e-18, -3.1672789006892398e-18, -5.1613479393656395e-18, -9.12462023535876e-18, -1.7956554843218398e-17, -3.9927042807597e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013617062913167093
Energy: 0.014103408877879522
Energy: 0.01402168807038172
Energy: 0.013775246564052844
Energy: 0.3974057019047191
Energy: 0.013933664675439116
Energy: 0.014103408877879522
Energy: 0.10377870471362642
Energy: 0.1038527216166696
Energy: 0.10380793179194868
Energy: 0.10371719532447515
Energy: 0.10376853594745526
Energy: 0.014021688070103726
Energy: 0.1038527216166696
Energy: 0.1038122940591288
Energy: 0.014050616102294468
Energy: 0.10378489739634444
Energy: 0.10454238545310801
Energy: 0.013775246564052844
Energy: 0.10380793179257415
Energy: 0.01405061610260721
Energy: 0.013853448638808268
Energy: 0.10375650628377917
Energy: 0.013919588033142754
Energy: 0.3974057019056573
Energy: 0.10371719532447515
Energy: 0.10378489739696992
Energy: 0.1037565062828757
Energy: 0.10376985487614214
Energy: 0.10376439348517658
Energy: 0.013933664674848382
Energy: 0.10376853594714251
Energy: 0.10454238545310801
Energy: 0.013919588032830013
Energy: 0.10376439348396034
Energy: 0.014113743020015368

minimum gb energy = 0.013617062913167093 eV
minimum distance =  2.55394496430301 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.1896569356259037
Energy: 0.7941167537994429
Energy: 0.862554632618684
Energy: 1.0017214143972717
Energy: 0.830592967424246
Energy: 0.8375936288142524
Energy: 1.0464234843468374
Energy: 0.8211540257252623
Energy: 0.8289095854580005
Energy: 0.7983679640934428
Energy: 0.8213145000907399
Energy: 0.8227678037764931
Energy: 1.100389220597936
Energy: 0.8209466314403886
Energy: 0.8269440666189607
Energy: 0.8187702166022408
Energy: 0.821327423674441
Energy: 0.8012936544445038
Energy: 1.1661943323778658
Energy: 0.7940874758431337
Energy: 0.7912632964734677
Energy: 0.8055447702441497
Energy: 0.8074524935301938
Energy: 0.8019157524537696
Energy: 1.0922781663916015
Energy: 0.8253908198791229
Energy: 0.8252661224608577
Energy: 0.8043615141333094
Energy: 0.8265659254092972
Energy: 0.8217789783132903
Energy: 1.0670220316064578
Energy: 0.8251031494156041
Energy: 0.8194031811702961
Energy: 0.8191879579329812
Energy: 0.8241391602483592
Energy: 0.8122291948851438
Energy: 1.067540397316897
Energy: 0.8136232519002701
Energy: 0.8118407267265058
Energy: 0.8135551284162942
Energy: 0.8037383575531553
Energy: 0.8171060365562622
Energy: 0.8829312878932305
Energy: 0.8210690072919822
Energy: 0.8209700928324265
Energy: 0.775001401441034
Energy: 0.8160596043435805
Energy: 0.8170328540857672
Energy: 0.8866290662003212
Energy: 0.8162914904397628
Energy: 0.8157592242085022
Energy: 0.8185239041901937
Energy: 0.8187152502718448
Energy: 0.8205969747869807
Energy: 0.885137719667282
Energy: 0.8225290258251503
Energy: 0.8229918941540687
Energy: 0.8282564983087605
Energy: 0.8050959701492365
Energy: 0.8241850451328386
Energy: 0.8781484870418326
Energy: 0.7889920180923173
Energy: 0.8279871908925129
Energy: 0.8501022620051836
Energy: 0.8054545994880569
Energy: 0.7933185080271015
Energy: 0.8210923089508563
Energy: 0.8249181893782868
Energy: 0.8166146310234269
Energy: 0.8210891930750795
Energy: 0.8161115442284046
Energy: 0.8163566759940503
Energy: 0.8210734953296731
Energy: 0.821104908696323
Energy: 0.8211793397504406
Energy: 0.8210177197610367
Energy: 0.8195462727454098
Energy: 0.8232959313947504
Energy: 0.8893724149261667
Energy: 0.8080322708569503
Energy: 0.7999972272398179
Energy: 0.8245861353824157
Energy: 0.8012783627150727
Energy: 0.7912782815849759
Energy: 0.8448556769203022
Energy: 0.8209115878420298
Energy: 0.8205573137425061
Energy: 0.8085498998024231
Energy: 0.8057474038003759
Energy: 0.8227323049238351
Energy: 0.8561929391930501
Energy: 0.8129152367336392
Energy: 0.8126109307930887
Energy: 0.8408620741001486
Energy: 0.8207036052103194
Energy: 0.8094074965685627
Energy: 1.0230490508080372
Energy: 0.8141170523615715
Energy: 0.8138818982526728
Energy: 0.8226084311815323
Energy: 0.813653899248634
Energy: 0.7962297108409242
Energy: 0.9666872329670579
Energy: 0.8187751105055162
Energy: 0.8191078641678694
Energy: 0.819881093282707
Energy: 0.7589912443460877
Energy: 0.818980212081882
Energy: 0.9673350579501335
Energy: 0.8194411806546624
Energy: 0.8184995857371472
Energy: 0.8218302717662455
Energy: 0.8204223763019695
Energy: 0.8179727540287343
Energy: 1.0444357908401316
Energy: 0.8189107967409143
Energy: 0.8186327886530587
Energy: 0.8057279606779744
Energy: 0.8204153588458891
Energy: 0.8181404931888506
Energy: 1.115051116502995
Energy: 0.7976689253310009
Energy: 0.7767886521215787
Energy: 0.8064013804979456
Energy: 0.810459528398628
Energy: 0.789149923125106
Energy: 1.11741906100414
Energy: 0.8099036507957021
Energy: 0.7898209809599976
Energy: 0.8209752967291201
Energy: 0.809700922903212
Energy: 0.8112826252575803
Energy: 1.046355146794957
Energy: 0.7990482042676563
Energy: 0.7763051120249658
Energy: 0.8170866230196487
Energy: 0.80846225630662
Energy: 0.8227118379174385

minimum gb energy = 0.7589912443460877 eV
minimum distance =  2.37844092112236 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.456783234189115
Energy: 0.8698033740898017
Energy: 0.8902324827515683
Energy: 0.8561744249404796
Energy: 0.8595607268248252
Energy: 0.9045660351443796
Energy: 1.0400677288500833
Energy: 0.8599694613906179
Energy: 0.8495367914978346
Energy: 0.8600477147979149
Energy: 0.8599460600291701
Energy: 0.7909462046372961
Energy: 1.1561002789240329
Energy: 0.8415738563965797
Energy: 0.8520309813175013
Energy: 0.8720863852442962
Energy: 0.8643655498053869
Energy: 0.8712667506801886
Energy: 1.1197186176691634
Energy: 0.8434647257129224
Energy: 0.8514651337558619
Energy: 0.8367857528130312
Energy: 0.9103427296625864
Energy: 0.8387819853457157
Energy: 1.0638115447018974
Energy: 0.8564798422658754
Energy: 0.858140280411225
Energy: 0.7857280066503883
Energy: 0.9058834913011797
Energy: 0.9024675818595095
Energy: 1.127093605824351
Energy: 0.8987818580980904
Energy: 0.9106677918573414
Energy: 0.8935683358634887
Energy: 0.9006424853222387
Energy: 0.885140014439877
Energy: 1.1270091994465994
Energy: 0.9098441141330754
Energy: 0.8933210740766051
Energy: 0.8988623150703019
Energy: 0.8972483771610742
Energy: 0.9003479019053214
Energy: 1.0458977161704996
Energy: 0.8662190699728788
Energy: 0.8656884128266061
Energy: 0.8951867759188218
Energy: 0.8773045807291027
Energy: 0.8659354157058701
Energy: 0.9423805184129291
Energy: 0.8745348415980003
Energy: 0.8948274246479295
Energy: 0.8962469134237591
Energy: 0.8275062835532306
Energy: 0.8981186000110883
Energy: 0.9405439295367509
Energy: 0.8792414039611683
Energy: 0.877315817308327
Energy: 0.8944561929704812
Energy: 0.8992739442359446
Energy: 0.878860923662189
Energy: 0.9808776206020037
Energy: 0.7913666999213361
Energy: 0.7958105483209329
Energy: 0.8774623606615957
Energy: 0.7877296258619351
Energy: 0.791651036975693
Energy: 0.9042946547714003
Energy: 0.8448513362347526
Energy: 0.8785965755249563
Energy: 0.8763781572383186
Energy: 0.8404810990325184
Energy: 0.8454676960758329
Energy: 0.8933560935338484
Energy: 0.8989044632236766
Energy: 0.8990671870443281
Energy: 0.8876656232348338
Energy: 0.8928569073385022
Energy: 0.8994734681192563
Energy: 1.0371391210802603
Energy: 0.8586261885736897
Energy: 0.8478302470878528
Energy: 0.9027329911278896
Energy: 0.8265343729579019
Energy: 0.8282223754705477
Energy: 0.9612668761103131
Energy: 0.8943438488529429
Energy: 0.8953799607953177
Energy: 0.8866839291920513
Energy: 0.8506097463376253
Energy: 0.9026939781090955
Energy: 0.9682273963062412
Energy: 0.9166443567684371
Energy: 0.9042397920694815
Energy: 0.8979487068997121
Energy: 0.9172574164896323
Energy: 0.9053407257932214
Energy: 0.9643999802941774
Energy: 0.9045886560904448
Energy: 0.8985613418346893
Energy: 0.908279594071583
Energy: 0.8974725838200958
Energy: 0.8932945033847014
Energy: 1.0007980600262867
Energy: 0.9105536626060646
Energy: 0.9098349487769339
Energy: 0.8782135467184081
Energy: 0.8667199177556144
Energy: 0.878912163747413
Energy: 1.0037951975752721
Energy: 0.9061019013118481
Energy: 0.9062093828703565
Energy: 0.8772815990148277
Energy: 0.9076012289406665
Energy: 0.8937381043033745
Energy: 1.0401280483796176
Energy: 0.9164911730619018
Energy: 0.9178528779370899
Energy: 0.8939122926070351
Energy: 0.9105309216952712
Energy: 0.9103409470541106
Energy: 1.2537492421083947
Energy: 0.9127947604622538
Energy: 0.8636763252966982
Energy: 0.8527167188558663
Energy: 0.9157151410253678
Energy: 0.8629711054089247
Energy: 1.1601746489055245
Energy: 0.9133178673310248
Energy: 0.9006601017300881
Energy: 0.8186475294560955
Energy: 0.9131034032676738
Energy: 0.9273027867053906
Energy: 1.1066803053543965
Energy: 0.8972586231238557
Energy: 0.8968903461575278
Energy: 0.902003127731322
Energy: 0.8967271236059142
Energy: 0.9090603160680618
Energy: 1.1280129284671168
Energy: 0.9166545641422923
Energy: 0.9045400464137929
Energy: 0.8263619219840171
Energy: 0.9174710276031761
Energy: 0.8258292372515054
Energy: 1.1078121083893664
Energy: 0.896763600855445
Energy: 0.8960132422975589
Energy: 0.9227343924768692
Energy: 0.8968202983148567
Energy: 0.9142997106295111
Energy: 1.133288970607552
Energy: 0.8930765787996028
Energy: 0.9090293261684952
Energy: 0.908452719476895
Energy: 0.8925682646369655
Energy: 0.9009318471153549
Energy: 1.1300483524899905
Energy: 0.8494169852787283
Energy: 0.8494659290186417
Energy: 0.8889178967581713
Energy: 0.8958920572060721
Energy: 0.8723765652640798
Energy: 1.0542598904435694
Energy: 0.8768092523817097
Energy: 0.8741709417116468
Energy: 0.9049788032375702
Energy: 0.8788141121125913
Energy: 0.9091527130815964
Energy: 0.9397244847676645
Energy: 0.8776499867373485
Energy: 0.8667087415991923
Energy: 0.9032355368827865
Energy: 0.872347779374128
Energy: 0.9044473887818424
Energy: 0.9470529296344901
Energy: 0.8966139333540768
Energy: 0.8985718968313905
Energy: 0.8999294725208059
Energy: 0.8977826980613531
Energy: 0.9002533841488847
Energy: 0.9627985895273675
Energy: 0.7876996638631818
Energy: 0.7876358226272991
Energy: 0.8828466175343352
Energy: 0.7886300467992468
Energy: 0.7876501408678345
Energy: 0.9018739092193173
Energy: 0.8398353867898859
Energy: 0.8400185717496721
Energy: 0.8853352616061716
Energy: 0.8399136281244486
Energy: 0.8299836953117585
Energy: 0.8930800581150391
Energy: 0.9012071543478709
Energy: 0.8936087287053351
Energy: 0.884300713478967
Energy: 0.8678674382607251
Energy: 0.8921604245354148
Energy: 0.9020889546259434
Energy: 0.8258083270612177
Energy: 0.845552418706177
Energy: 0.900862254689506
Energy: 0.8280317557107735
Energy: 0.845296194451336
Energy: 0.9574299161120013
Energy: 0.8739227987316966
Energy: 0.8979379287526227
Energy: 0.8911806457801634
Energy: 0.8825020785174731
Energy: 0.9010139753273357
Energy: 0.9628845394153043
Energy: 0.9157179837398916
Energy: 0.9022993288745274
Energy: 0.9117015864376434
Energy: 0.9120645095223041
Energy: 0.9070267212882641
Energy: 0.9559663173235716
Energy: 0.8770440918552423
Energy: 0.8032660403508266
Energy: 0.8424482988553136
Energy: 0.8035730500586014
Energy: 0.891491496487027
Energy: 0.9990232885443592
Energy: 0.8668644938658018
Energy: 0.9107744308794032
Energy: 0.8789204085626827
Energy: 0.908799778417846
Energy: 0.9080540039087033
Energy: 0.9996281879076917
Energy: 0.8795214962157223
Energy: 0.8746154865654892
Energy: 0.8773746296229544
Energy: 0.8191365999769061
Energy: 0.8660921128984927
Energy: 1.0634783524439453
Energy: 0.876700902679622
Energy: 0.8766997889753108
Energy: 0.8284194539467395
Energy: 0.8776599991565062
Energy: 0.8782979322343264
Energy: 1.2896295284219104
Energy: 0.8672527446090057
Energy: 0.8311380669960884
Energy: 0.8031675459338652
Energy: 0.8685151230057679
Energy: 0.8186857171031992

minimum gb energy = 0.7857280066503883 eV
minimum distance =  2.30889136508912 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.2286979343179056
Energy: 0.7947156753808317
Energy: 0.7953921555513678
Energy: 1.0437158608529242
Energy: 0.8523762675538422
Energy: 0.8523072726011424
Energy: 1.003442716378098
Energy: 0.8593375392765034
Energy: 0.8590756493780589
Energy: 0.8424707143718828
Energy: 0.8595975363974238
Energy: 0.8361487966530617
Energy: 1.076601027911934
Energy: 0.8504508318609686
Energy: 0.8502523867821332
Energy: 0.8385793682459461
Energy: 0.8503838490982706
Energy: 0.8429908165542913
Energy: 1.0762156537869958
Energy: 0.8221932977813717
Energy: 0.7991482810107913
Energy: 0.8010979190975852
Energy: 0.7871494546459141
Energy: 0.8021547120778415
Energy: 0.9483998302540342
Energy: 0.8822791689113259
Energy: 0.8835337926969138
Energy: 0.8578184072131393
Energy: 0.8821658593211045
Energy: 0.8315178786064488
Energy: 0.9487940818903505
Energy: 0.8592059490473384
Energy: 0.8561315222898874
Energy: 0.857083216847473
Energy: 0.8419104138647648
Energy: 0.8574552951375174
Energy: 0.9489158272016689
Energy: 0.8271075109735123
Energy: 0.7905003991301883
Energy: 0.8579760930134838
Energy: 0.8564574344544036
Energy: 0.8605220530097271
Energy: 0.9752969561869927
Energy: 0.8083295862948976
Energy: 0.846164563204113
Energy: 0.8713511977631754
Energy: 0.8085314940710155
Energy: 0.8010177598696752
Energy: 0.850293894034701
Energy: 0.8079053796023729
Energy: 0.8078828558432201
Energy: 0.8501511648647564
Energy: 0.8454055233444321
Energy: 0.8629577794502551
Energy: 0.8509893291630938
Energy: 0.8318119353042489
Energy: 0.8206520051990661
Energy: 0.8510402101963829
Energy: 0.8185659057833594
Energy: 0.859377776104309
Energy: 0.8495329125412878
Energy: 0.8002285064600039
Energy: 0.8007297017553643
Energy: 0.8497565086926241
Energy: 0.7994615949469637
Energy: 0.8004058936472311
Energy: 0.8701938462967694
Energy: 0.832947978618167
Energy: 0.8670621200036867
Energy: 0.8515662582147425
Energy: 0.8543395928726247
Energy: 0.8613536584064283
Energy: 0.8692233696880057
Energy: 0.8421423091389512
Energy: 0.841796228533146
Energy: 0.8609734424294285
Energy: 0.878882388997776
Energy: 0.8615288839859234
Energy: 0.8698711739350886
Energy: 0.8020343548900973
Energy: 0.8012707544401628
Energy: 0.8522655456414555
Energy: 0.8017643727108008
Energy: 0.8015824391302752
Energy: 1.0036044610609438
Energy: 0.791325826782112
Energy: 0.7913629130395592
Energy: 0.785622717243332
Energy: 0.7912873148947167
Energy: 0.8136961321112398
Energy: 1.0031766212109416
Energy: 0.8630003209447408
Energy: 0.8631126579648128
Energy: 0.7849139184053475
Energy: 0.8630592857026383
Energy: 0.7859456140235858
Energy: 1.0246068586740185
Energy: 0.8621140044668034
Energy: 0.8715488867609416
Energy: 0.8578575031754119
Energy: 0.8631170522193046
Energy: 0.8221295192706983
Energy: 1.1499612229059162
Energy: 0.830879072648653
Energy: 0.8433532518546857
Energy: 0.8087435763791883
Energy: 0.829825147253441
Energy: 0.8582461165489046

minimum gb energy = 0.7849139184053475 eV
minimum distance =  2.38588024088974 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.0237159711297188
Energy: 0.8053058081818694
Energy: 0.9036537234862972
Energy: 0.9060627602883834
Energy: 0.7712131609009449
Energy: 0.9048974370555801
Energy: 1.030190833897388
Energy: 0.7844137119314989
Energy: 0.7845110032381245
Energy: 0.8085145969312211
Energy: 0.7844211143775639
Energy: 0.7849446152040589
Energy: 1.0877943713526514
Energy: 0.7843328998964204
Energy: 0.7844268329771481
Energy: 0.8088296489555791
Energy: 0.784381601271955
Energy: 0.7842200120489449
Energy: 0.8948738588450164
Energy: 0.7848884158063083
Energy: 0.7846070052928817
Energy: 0.7988994862771596
Energy: 0.7842698464994318
Energy: 0.7849398265641602
Energy: 0.9039580817771288
Energy: 0.7842270017991548
Energy: 0.7845264692468049
Energy: 0.7702144362352182
Energy: 0.7841507367380356
Energy: 0.8161588741943223
Energy: 0.903862931900648
Energy: 0.7624263025223785
Energy: 0.8153527500139177
Energy: 0.809459350676067
Energy: 0.7623005952377763
Energy: 0.8068157863597968
Energy: 0.9040561402359146
Energy: 0.7708551150459381
Energy: 0.8162927219647313
Energy: 0.8089500076404779
Energy: 0.7701946192131245
Energy: 0.8077007859639433
Energy: 0.9056249489142033
Energy: 0.7396135688166756
Energy: 0.7393499041412882
Energy: 0.9068191923328738
Energy: 0.7398595824431116
Energy: 0.754400909370693
Energy: 0.7846661045146393
Energy: 0.7542980820443987
Energy: 0.7539895317677286
Energy: 0.7846193645152221
Energy: 0.739149453864501
Energy: 0.7621971107678829
Energy: 0.7842232402680147
Energy: 0.7705522780593946
Energy: 0.7860926215905948
Energy: 0.7842266664399914
Energy: 0.7705103625017539
Energy: 0.784512963233625
Energy: 0.7828122934751885
Energy: 0.7996317299478319
Energy: 0.7992916048366558
Energy: 0.7830408056483867
Energy: 0.7988264277344254
Energy: 0.7847718674044647
Energy: 0.9028893928838481
Energy: 0.7705560096798717
Energy: 0.8163394637206552
Energy: 0.7844409941139604
Energy: 0.8086752824299301
Energy: 0.7855851915733144
Energy: 0.7621678796552388
Energy: 0.8082022550403714
Energy: 0.8074453025227021
Energy: 0.7621707329932363
Energy: 0.8084361551528275
Energy: 0.8081616989053616
Energy: 0.9037685326591889
Energy: 0.8098056339780677
Energy: 0.8094106105010053
Energy: 0.7844890893671942
Energy: 0.8094493780786606
Energy: 0.8089750202830445
Energy: 1.0299959747980683
Energy: 0.7844051596122009
Energy: 0.7849606651567625
Energy: 0.7388889118990656
Energy: 0.7844454924489427
Energy: 0.762224267375283
Energy: 1.0277260894536222
Energy: 0.8166426140674693
Energy: 0.753908184927025
Energy: 0.7387773353070323
Energy: 0.7849809197230322
Energy: 0.7393446596453691
Energy: 0.9048732498830474
Energy: 0.7842404685340107
Energy: 0.7842485308225278
Energy: 0.7704340834982288
Energy: 0.784326675625404
Energy: 0.7846147664434869
Energy: 0.8964806656546734
Energy: 0.7844396661837422
Energy: 0.7846906293235025
Energy: 0.7990431239274047
Energy: 0.7843249763271265
Energy: 0.7849817807072218
Energy: 0.8929809020003696
Energy: 0.7845374467688074
Energy: 0.7845327169278794
Energy: 0.7989289849146762
Energy: 0.7843546862240297
Energy: 0.815855322462268
Energy: 0.9041661889659975
Energy: 0.762395960180157
Energy: 0.8158259887028809
Energy: 0.8164877363633287
Energy: 0.762214769882149
Energy: 0.814456128218326
Energy: 0.8979165063356989
Energy: 0.7844345795312322
Energy: 0.7802867772008522
Energy: 0.8101938258077231
Energy: 0.7841560895501289
Energy: 0.809392173883965
Energy: 0.9035734603786882
Energy: 0.7707424696244474
Energy: 0.8169069483706162
Energy: 0.8088845607632467
Energy: 0.7706088962336313
Energy: 0.7860119674389165
Energy: 0.8622435224040875
Energy: 0.7541581398015796
Energy: 0.753794424740661
Energy: 0.8088829495151907
Energy: 0.7390866327264147
Energy: 0.7382178599283716
Energy: 0.7845559410160072
Energy: 0.8088580450452851
Energy: 0.7854115846148384
Energy: 0.7845244368187558
Energy: 0.792514562622021
Energy: 0.7847489756049041
Energy: 0.7844484685043347
Energy: 0.81595584960091
Energy: 0.7844462889258624
Energy: 0.7843054929383183
Energy: 0.8087795347307898
Energy: 0.7844942666252385
Energy: 0.8857044256479965
Energy: 0.7993839214234277
Energy: 0.7992873991701328
Energy: 0.885611889060018
Energy: 0.799418551591794
Energy: 0.7849397928364175
Energy: 0.9041121680378816
Energy: 0.8542646027992976
Energy: 0.8159590750005654
Energy: 0.7843687835247815
Energy: 0.7707129146314848
Energy: 0.7848997790540947
Energy: 0.762137182850827
Energy: 0.8082587184918177
Energy: 0.807636451951619
Energy: 0.7622308275178041
Energy: 0.8090279491851361
Energy: 0.814104738634912
Energy: 0.8843821551370223
Energy: 0.8083641279765295
Energy: 0.8079428520810676
Energy: 0.7705836836022751
Energy: 0.8086723764935396
Energy: 0.8075637116344843
Energy: 1.0286223292764167
Energy: 0.7849093425597697
Energy: 0.7538483584732154
Energy: 0.7388318407759095
Energy: 0.7848626325715953
Energy: 0.7391791204560135

minimum gb energy = 0.7382178599283716 eV
minimum distance =  2.4136213784504 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.8735219238865606
Energy: 0.8722806110899359
Energy: 0.8728469840467653
Energy: 0.7879868823601988
Energy: 0.8845015964599839
Energy: 0.8756715890055032
Energy: 0.8047914165864779
Energy: 0.7711970844180871
Energy: 0.7711254837515598
Energy: 0.7278742818069522
Energy: 0.7715519386345309
Energy: 0.7169370983979423
Energy: 0.8001136631550687
Energy: 0.7666168915667222
Energy: 0.7669412922406651
Energy: 0.7330239477743921
Energy: 0.7672835847050645
Energy: 0.7180632909455744
Energy: 0.7196256367862656
Energy: 0.7668485351249134
Energy: 0.7250804217280741
Energy: 0.7300972671850766
Energy: 0.8057829206794069
Energy: 0.6800159348524428
Energy: 0.8774127417595243
Energy: 0.7995552547451459
Energy: 0.6994190306351394
Energy: 0.8055047368468532
Energy: 0.7786819296955776
Energy: 0.679085540714754
Energy: 0.7715673372927184
Energy: 0.7792515499428527
Energy: 0.7812816173014578
Energy: 0.7714020926990051
Energy: 0.7794723501976439
Energy: 0.67855281667884
Energy: 0.7769284468168373
Energy: 0.6988323963759808
Energy: 0.7176149646082057
Energy: 0.7769887198280089
Energy: 0.7282165696518687
Energy: 0.7171136103417933
Energy: 0.7658435359914976
Energy: 0.7272138959465689
Energy: 0.7256597196122117
Energy: 0.7673091746308232
Energy: 0.7269891703158213
Energy: 0.6971145739979999
Energy: 0.8016372380103082
Energy: 0.7255894194857814
Energy: 0.717594434721442
Energy: 0.7727247062206564
Energy: 0.7442913945300943
Energy: 0.7422243077245193
Energy: 0.7178933352033187
Energy: 0.7402825980430967
Energy: 0.7171135727506771
Energy: 0.7623983310319002
Energy: 0.7635120524919768
Energy: 0.7181735109319527
Energy: 0.8004942466822976
Energy: 0.7657766967861769
Energy: 0.7652493697622029
Energy: 0.763959707719188
Energy: 0.7699694291053392
Energy: 0.7644263221496274
Energy: 0.8047914128243391
Energy: 0.7662769669370523
Energy: 0.7171420700488121
Energy: 0.7277862839103845
Energy: 0.7665228952419629
Energy: 0.7169738757165044

minimum gb energy = 0.67855281667884 eV
minimum distance =  2.39651035712337 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.4324958615271797
Energy: 0.915234191956448
Energy: 0.707906285700148
Energy: 0.6620112091146126
Energy: 1.1936523145355198
Energy: 0.6612538323672869
Energy: 0.6716301353589602
Energy: 0.6580331767203057
Energy: 0.6581417467389388
Energy: 0.6415504019832984
Energy: 0.6587278755939195
Energy: 0.6371988942722835
Energy: 0.6728159319143715
Energy: 0.6569452773588739
Energy: 0.6570495399261888
Energy: 0.6418955243691742
Energy: 0.6603833480250425
Energy: 0.6615856820464177
Energy: 0.8905605930516833
Energy: 0.6324433697092319
Energy: 0.6240765495814837
Energy: 0.6396103359500941
Energy: 0.6732028367537578
Energy: 0.6732830569898005
Energy: 0.7140784804439649
Energy: 0.6510118922062927
Energy: 0.6396220324408615
Energy: 0.6713080130591185
Energy: 0.6509709223608591
Energy: 0.6679453479473856
Energy: 0.6728889999257396
Energy: 0.6185683388439077
Energy: 0.5989054379194152
Energy: 0.6728737425505221
Energy: 0.6170697781550472
Energy: 0.6198990352999169
Energy: 0.6693251843526268
Energy: 0.6242257034944748
Energy: 0.6242128222661703
Energy: 0.6703138791726134
Energy: 0.6648273986558064
Energy: 0.66921055147288
Energy: 0.6570327690303787
Energy: 0.6402524102661789
Energy: 0.6296824835393503
Energy: 0.6574828535123107
Energy: 0.6384800699528951
Energy: 0.6557157905026954
Energy: 0.6521680236257071
Energy: 0.6556022862693361
Energy: 0.6506155264587065
Energy: 0.6592687657402343
Energy: 0.6558779923172681
Energy: 0.6794865442621908
Energy: 1.0587864808201128
Energy: 0.6432963385780671
Energy: 0.6357034214087194
Energy: 0.6211020405225196
Energy: 0.6558978421595156
Energy: 0.6650114442480531
Energy: 0.6276315557757597
Energy: 0.675448963994888
Energy: 0.6746815787574404
Energy: 0.6243762294328753
Energy: 0.6753237687099395
Energy: 0.6890563609365297
Energy: 0.6530885119234116
Energy: 0.669778537296104
Energy: 0.6690724847550374
Energy: 0.6517402623890596
Energy: 0.6696295157370497
Energy: 0.6515288017731053
Energy: 1.242649468633347
Energy: 0.7674059056359374
Energy: 0.6802843329220976
Energy: 0.6622534021243849
Energy: 0.7721112690531985
Energy: 0.6381516986339233
Energy: 0.7228191621025837
Energy: 0.6689037197238956
Energy: 0.6992145083817307
Energy: 0.6644898260098673
Energy: 0.6691511757683075
Energy: 0.6524283566264011
Energy: 0.6598248666741834
Energy: 0.6595298805559124
Energy: 0.6591373651666413
Energy: 0.6602699620595923
Energy: 0.6587538177559394
Energy: 0.6730650258091451
Energy: 0.6587102511659783
Energy: 0.6529634545987826
Energy: 0.648354506540729
Energy: 0.6588808624124963
Energy: 0.6551639171362155
Energy: 0.6637824010628082
Energy: 0.6575781541062857
Energy: 0.6316978493912214
Energy: 0.6236864692224939
Energy: 0.6574629057192719
Energy: 0.6313695716830467
Energy: 0.6437344245606127
Energy: 0.7160037056643344
Energy: 0.6332394421530995
Energy: 0.6527717330484962
Energy: 0.6574943286358655
Energy: 0.6596676607045603
Energy: 0.670518455861199
Energy: 0.6733755399732075
Energy: 0.6385608514439755
Energy: 0.642997630155448
Energy: 0.6584062670846005
Energy: 0.6524165915787326
Energy: 0.6466869275547199
Energy: 0.6727179250572091
Energy: 0.6462314597884531
Energy: 0.6468180529954248
Energy: 0.6459145310222568
Energy: 0.6454965417002201
Energy: 0.6316724828815893
Energy: 0.6723307505715386
Energy: 0.6589724795088158
Energy: 0.6487563073710837
Energy: 0.6580297627406129
Energy: 0.6597919145080847
Energy: 0.6457177825238204
Energy: 0.698423552210943
Energy: 0.6583869485536873
Energy: 0.6812969419699756
Energy: 0.6952765419410042
Energy: 0.6584030044306656
Energy: 0.5970847869451987
Energy: 0.6952326509540817
Energy: 0.6581647989145142
Energy: 0.6583720106147433
Energy: 0.6992300686112012
Energy: 0.6580928783844908
Energy: 0.6049253546367792
Energy: 0.67255257700646
Energy: 0.6588054234512578
Energy: 0.6587997219124601
Energy: 0.6628322128352895
Energy: 0.6591159608773169
Energy: 0.6617303465151683
Energy: 0.8830564334824497
Energy: 0.6603130902850579
Energy: 0.6622514127909348
Energy: 0.6335677551928269
Energy: 0.658617036225585
Energy: 0.6735135908317544
Energy: 0.6726300539575629
Energy: 0.634201226772929
Energy: 0.6240528606916308
Energy: 0.66980997619991
Energy: 0.6336860297671446
Energy: 0.6651358524946478
Energy: 0.6359685624243367
Energy: 0.5981265554266769
Energy: 0.597768808422155
Energy: 0.63596731439101
Energy: 0.5975336001597179
Energy: 0.6192787435818259
Energy: 0.6689363009568887
Energy: 0.6252233351946173
Energy: 0.625302782676284
Energy: 0.6689569749831454
Energy: 0.6336479643318328
Energy: 0.6687889278565431
Energy: 0.6676234086687697
Energy: 0.6477248497158336
Energy: 0.7000651675344576
Energy: 0.66694589151209
Energy: 0.6553123653760521
Energy: 0.6656361662833343
Energy: 0.6495426824410039
Energy: 0.6393987513128213
Energy: 0.6296547571663538
Energy: 0.7129055533396617
Energy: 0.6382106033922852
Energy: 0.6432323209513265
Energy: 0.6278113391528999
Energy: 0.6552744921027339
Energy: 0.6775625506041066
Energy: 0.6700814915769704
Energy: 0.6726456786930596
Energy: 0.6977130497522549
Energy: 1.0577876905407788
Energy: 0.6566055307254267
Energy: 0.643869975654598
Energy: 0.6214133616205988
Energy: 0.660032640751242
Energy: 0.6380024680787405
Energy: 0.8045951899259512
Energy: 0.6697056433611558
Energy: 0.6694002169399588
Energy: 0.6642918912792144
Energy: 0.669955187034418
Energy: 0.6782875108111823
Energy: 0.8781155814144964
Energy: 0.6719949699838182
Energy: 0.6729779124734468
Energy: 0.660649214185961
Energy: 0.6715231819059492
Energy: 0.6344208708706391
Energy: 0.6628319660359909
Energy: 0.6777639747384175
Energy: 0.6553024677425957
Energy: 0.6863737201677387
Energy: 0.6787462202636374
Energy: 0.6518556557104224
Energy: 0.6590842912088135
Energy: 0.6539539532970811
Energy: 0.6863613756851599
Energy: 0.6732926829251896
Energy: 0.6553132855193826
Energy: 0.6704187788242211
Energy: 0.6589931510885673
Energy: 0.6543036158147381
Energy: 0.6481466766628183
Energy: 0.6597017526291064
Energy: 0.6617958938480691
Energy: 0.658259192850376
Energy: 0.6579125503440174
Energy: 0.6337391483660444
Energy: 0.653168684006274
Energy: 0.657904959837842
Energy: 0.6429887407045695
Energy: 0.6581239805069588
Energy: 0.7820033589275953
Energy: 0.6623922468778924
Energy: 0.6680739306499748
Energy: 0.782408186852968
Energy: 0.6732582834249297
Energy: 0.766323290430657
Energy: 0.6722286287683351
Energy: 0.6340059661577587
Energy: 0.6550998285287135
Energy: 0.6579574429321853
Energy: 0.6405634641588822
Energy: 0.6441979151466263
Energy: 0.6714011309527523
Energy: 0.6464123452095359
Energy: 0.6324599736924279
Energy: 0.6466002155330075
Energy: 0.6467547098196328
Energy: 0.6469614280419647
Energy: 0.6729451509701702
Energy: 0.6463806603307457
Energy: 0.6471654274665022
Energy: 0.6579330647251905
Energy: 0.6459276236705499
Energy: 0.646737409275256
Energy: 0.6956015169092017
Energy: 0.6582444943561548
Energy: 0.6584200729768008
Energy: 0.6769743240378077
Energy: 0.6579228629160082
Energy: 0.605016569469312

minimum gb energy = 0.5970847869451987 eV
minimum distance =  2.36995958758161 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.30102319895757146
Energy: 0.3104677233771407
Energy: 0.3108775317389499
Energy: 0.30345921942559906
Energy: 0.34138588766646916
Energy: 0.302365687151558
Energy: 0.30190150389842246
Energy: 0.3560370709195385
Energy: 0.31996660873248367
Energy: 0.33982824325475014
Energy: 0.34102509628451905
Energy: 0.32107482348631106
Energy: 0.38064351634545446
Energy: 0.34283470527366533
Energy: 0.3427987490808293
Energy: 0.3410946534570717
Energy: 0.34289123306140906
Energy: 0.3544191251483216
Energy: 0.38040389378853023
Energy: 0.3429917384799046
Energy: 0.34277461619051774
Energy: 0.3421177669703748
Energy: 0.3796860626541787
Energy: 0.3561093430008608
Energy: 0.3769142149357121
Energy: 0.3024395904521616
Energy: 0.3298348190242385
Energy: 0.37776310961898646
Energy: 0.3020162725229538
Energy: 0.32062279496343166
Energy: 0.34297387117798983
Energy: 0.30198073685175275
Energy: 0.30280284769237054
Energy: 0.3431422592857673
Energy: 0.3018346825031766
Energy: 0.329197763066327
Energy: 0.33803007885720193
Energy: 0.3190934120590726
Energy: 0.3197417960909765
Energy: 0.3387151364929129
Energy: 0.3423488226645988
Energy: 0.3522991787309732
Energy: 0.34302119566210215
Energy: 0.3425037196727539
Energy: 0.3857894769200781
Energy: 0.34301665187323727
Energy: 0.34247310628471606
Energy: 0.3427591712358603
Energy: 0.37648292798861993
Energy: 0.34174123184775246
Energy: 0.353163304624438
Energy: 0.37746985805879385
Energy: 0.34056769612403043
Energy: 0.34262833545241883
Energy: 0.30183281079871804
Energy: 0.3421551893255931
Energy: 0.33073357703888645
Energy: 0.30187358286972815
Energy: 0.38004372113916934
Energy: 0.33007668189315115
Energy: 0.301839090170421
Energy: 0.31989043256932714
Energy: 0.31978252279399433
Energy: 0.30200789424528146
Energy: 0.34275356532999096
Energy: 0.3322233953617845
Energy: 0.3790965468361935
Energy: 0.34212760965942657
Energy: 0.35696043260872734
Energy: 0.3798042910655708
Energy: 0.341173506716163
Energy: 0.3206750460234533
Energy: 1.2082121410812228
Energy: 0.38086303938463706
Energy: 0.385967668756686
Energy: 0.38559564701324694
Energy: 0.38108142649941246
Energy: 0.3860076081037117
Energy: 0.3775368567246667
Energy: 0.341730949027477
Energy: 0.34237719210310863
Energy: 0.37846795097662267
Energy: 0.3412786722945732
Energy: 0.3203483209901688
Energy: 0.38083785359224537
Energy: 0.30188036878335833
Energy: 0.30227026814961666
Energy: 0.3801150813346761
Energy: 0.30184861245022215
Energy: 0.30301502858667556
Energy: 0.34099451380479684
Energy: 0.35517992195394893
Energy: 0.35408565624621957
Energy: 0.3412818854215003
Energy: 0.30204190953876836
Energy: 0.3198992066653755
Energy: 0.3427107816266362
Energy: 0.3550436405568115
Energy: 0.35455196798931365
Energy: 0.34264922202197656
Energy: 0.3411236188824425
Energy: 0.34261955621387613
Energy: 0.3799361537576209
Energy: 0.3573739879027492
Energy: 0.3427178932403692
Energy: 0.38015484156975804
Energy: 0.34206676753115794
Energy: 0.3427189115413161
Energy: 0.3019139533900817
Energy: 0.3199432807709722
Energy: 0.3200883558590368
Energy: 0.3019159300342208
Energy: 0.3782627082933375
Energy: 0.3521326049218267

minimum gb energy = 0.30102319895757146 eV
minimum distance =  2.41900086374952 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.1775799109474785
Energy: 1.1113287131147247
Energy: 0.5936208986373726
Energy: 0.5509753427135755
Energy: 0.7585619061563125
Energy: 0.5939712931361949
Energy: 0.5446447951652513
Energy: 0.5454554082842469
Energy: 0.5551062061783364
Energy: 0.5435089456877744
Energy: 0.5315853364617297
Energy: 0.5464023249275742
Energy: 0.5294851538445355
Energy: 0.5296431024711482
Energy: 0.5378423538952269
Energy: 0.5304473604501523
Energy: 0.5291983281298621
Energy: 0.5382081582639545
Energy: 0.5291462093366309
Energy: 0.5449113588008031
Energy: 0.545224793759852
Energy: 0.5301041182429592
Energy: 0.5298126874798276
Energy: 0.5286882764959782
Energy: 0.5287654063485144
Energy: 0.6038637533749908
Energy: 0.608902188829931
Energy: 0.5287033729429944
Energy: 0.5429328178914189
Energy: 0.5458011789626483
Energy: 0.5741815670396988
Energy: 0.5984829839689856
Energy: 0.5652421701171362
Energy: 0.5461557850093981
Energy: 0.5471065137571818
Energy: 0.5663047303534661
Energy: 0.5732842851422619
Energy: 0.54748107998932
Energy: 0.5398143431221573
Energy: 0.5285418083362645
Energy: 0.547983363792813
Energy: 0.5450787051163735
Energy: 0.5445978886604412
Energy: 0.541414832732083
Energy: 0.539962866017481
Energy: 0.5451444689090009
Energy: 0.5398519816200749
Energy: 0.5841998905828253
Energy: 0.5747399758969063
Energy: 0.5380459844777462
Energy: 0.5687353746162901
Energy: 0.5469629963858953
Energy: 0.5284629149600557
Energy: 0.5977452615728178
Energy: 0.7598899420776459
Energy: 0.5908971448701037
Energy: 0.5663842491564117
Energy: 0.5319902738934877
Energy: 0.528550011446807
Energy: 0.5834614976859047
Energy: 0.60525220949288
Energy: 0.5706471501317469
Energy: 0.566729540050485
Energy: 0.5711376252597223
Energy: 0.6117165919762992
Energy: 0.6049779974795291
Energy: 0.5733503058378016
Energy: 0.5107044927147734
Energy: 0.5775652203664084
Energy: 0.5437224182294871
Energy: 0.513847403030352
Energy: 0.5522147094942217
Energy: 0.6192046399722925
Energy: 0.5111347921134628
Energy: 0.5448831380769964
Energy: 0.6191849228020389
Energy: 0.5153438179528117
Energy: 0.543018325580248
Energy: 0.6189648404546593
Energy: 0.5890830527710359
Energy: 0.6096710203957565
Energy: 0.6194058130012102
Energy: 0.5978036779437021
Energy: 0.6117653051729286
Energy: 0.6198856466177974
Energy: 0.5692244451798281
Energy: 0.5670744913939263
Energy: 0.6200454364647537
Energy: 0.6440320843047097
Energy: 0.5669664596999991
Energy: 0.7767973349158928
Energy: 0.593671944369119
Energy: 0.608571935851177
Energy: 0.5455504294779342
Energy: 0.5726573808954915
Energy: 0.6164006993837259
Energy: 0.8660252112413338
Energy: 0.6350157059811214
Energy: 0.5388393930069175
Energy: 0.6714602177063501
Energy: 0.6665009898397236
Energy: 0.5390314225715889
Energy: 0.6099028920059366
Energy: 0.5653244268290853
Energy: 0.5681421432266347
Energy: 0.5441146459503645
Energy: 0.6210519650186966
Energy: 0.611648106866188
Energy: 0.606739354962452
Energy: 0.5429943672394013
Energy: 0.554149885526554
Energy: 0.5281472273627131
Energy: 0.6218566240902729
Energy: 0.5812993406398422
Energy: 0.7098667496751281
Energy: 0.582828370768698
Energy: 0.5437665345860173
Energy: 0.5322238857876578
Energy: 0.6201035242997043
Energy: 0.5434193395869372
Energy: 0.7768035269052157
Energy: 0.604331122405422
Energy: 0.6089942658571983
Energy: 0.5301395581760157
Energy: 0.5964301429996502
Energy: 0.5837203036261079
Energy: 0.5285402311328261
Energy: 0.5490871334270219
Energy: 0.5483525386335001
Energy: 0.5283507279728752
Energy: 0.5487770269950274
Energy: 0.5897559964471059
Energy: 0.5286914357594114
Energy: 0.5692461956356514
Energy: 0.5746661881594546
Energy: 0.5289770012458043
Energy: 0.5449529580903348
Energy: 0.5774708877663084
Energy: 0.5350862903594595
Energy: 0.5397551082197116
Energy: 0.5380743659564539
Energy: 0.535386903586336
Energy: 0.5322790372142512
Energy: 0.5288775267704402
Energy: 0.5279333479294671
Energy: 0.5388224018324641
Energy: 0.53861232504248
Energy: 0.5287484812430321
Energy: 0.5299450720581076
Energy: 0.5469050611595606
Energy: 0.6054614927995382
Energy: 0.560920983114673
Energy: 0.545468039907655
Energy: 0.5387875413906471
Energy: 0.5458988361905099
Energy: 0.584489719565455

minimum gb energy = 0.5107044927147734 eV
minimum distance =  2.34030163985532 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.1427839853004869
Energy: 0.6374869706562278
Energy: 0.6375490023819492
Energy: 0.6623612339570452
Energy: 0.6589798280838043
Energy: 0.662073229850686
Energy: 0.6075364438323613
Energy: 0.6067446245825736
Energy: 0.6034012547249159
Energy: 0.5979673240256632
Energy: 0.5818123613565047
Energy: 0.6028601217051319
Energy: 0.5843686757775274
Energy: 0.5843934303193089
Energy: 0.5837567150709663
Energy: 0.5844719148506698
Energy: 0.5833232132884222
Energy: 0.584851341382025
Energy: 0.5840156474804309
Energy: 0.6181698675669998
Energy: 0.5974154644056894
Energy: 0.5839776632415483
Energy: 0.583300593718457
Energy: 0.583197420560491
Energy: 0.5820092629969178
Energy: 0.6230985656490601
Energy: 0.6225879428458003
Energy: 0.5819815767861284
Energy: 0.5837298772899108
Energy: 0.6429550815514611
Energy: 0.6990045856362515
Energy: 0.6040584996763412
Energy: 0.655320810791437
Energy: 0.6485373527757727
Energy: 0.5845119302194762
Energy: 0.6037299862331772
Energy: 0.6553492695339588
Energy: 0.5835973440895618
Energy: 0.60929331228591
Energy: 0.5822972930640222
Energy: 0.5961663172713124
Energy: 0.6032877779333928
Energy: 0.6078655786649878
Energy: 0.6106469825437617
Energy: 0.6107512296021487
Energy: 0.6088342368600552
Energy: 0.6104731542596062
Energy: 0.5680172182071326
Energy: 0.6548200658388562
Energy: 0.5843419363377185
Energy: 0.6243143254201982
Energy: 0.6421267083085741
Energy: 0.584532107678019
Energy: 0.603454450492565
Energy: 0.8594767423375982
Energy: 0.5837061836982774
Energy: 0.6062694051433835
Energy: 0.8006086240891369
Energy: 0.5836658100557915
Energy: 0.6174918054310259
Energy: 0.6547509679899195
Energy: 0.6561211528434477
Energy: 0.6068507874180308
Energy: 0.5827346061188128
Energy: 0.6039932757474678
Energy: 0.6235664284168201
Energy: 0.6553128528990065
Energy: 0.5757914520312823
Energy: 0.5954054771152043
Energy: 0.6036649488021758
Energy: 0.5555504422506568
Energy: 0.6183151036443103
Energy: 0.583518192256546
Energy: 0.5557048808430988
Energy: 0.6298400581496765
Energy: 0.5832668159178281
Energy: 0.5561665507000818
Energy: 0.6299606493256961
Energy: 0.5844754721205879
Energy: 0.6175381958007058
Energy: 0.6040845493703307
Energy: 0.5844768594854807
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Energy: 0.6234320759890629
Energy: 0.611017100276937
Energy: 0.5866241936273253
Energy: 0.6121550983829139
Energy: 0.611296639473584
Energy: 0.6371326120651913
Energy: 0.6114365677707148
Energy: 0.581826510653377
Energy: 0.6147819511129422
Energy: 0.6031881999954102
Energy: 0.5864985626299989
Energy: 0.5820612506415859
Energy: 0.5980686669768026
Energy: 1.1094155199418545
Energy: 0.6201288380641339
Energy: 0.6007430508285498
Energy: 0.9339972457769665
Energy: 0.5826859306461099
Energy: 0.6132245370233185
Energy: 0.6489515885002232
Energy: 0.6192447631574027
Energy: 0.6183911737972941
Energy: 0.6285570996382885
Energy: 0.5819094649889397
Energy: 0.6369832761774472
Energy: 0.5834506029320351
Energy: 0.5845379579481443
Energy: 0.583888781051625
Energy: 0.5833330230625736
Energy: 0.5833963527705887
Energy: 0.5978379087511512
Energy: 0.5841910123955747
Energy: 0.583925526554261
Energy: 0.5846220423063472
Energy: 0.5845858908868288
Energy: 0.5841462994543765
Energy: 0.5838434573827589
Energy: 0.5818273074984798
Energy: 0.6048697308891734
Energy: 0.6036386517196023
Energy: 0.5817778992792715
Energy: 0.5830718650291669
Energy: 0.6035541745929947
Energy: 0.6983706319492444
Energy: 0.6315422214944557
Energy: 0.643358102836261
Energy: 0.6291256115414204
Energy: 0.6430295536607356
Energy: 0.6429543821147925
Energy: 0.6547048361538653
Energy: 0.5845519732491024
Energy: 0.6038038795151912
Energy: 0.5818671864552352
Energy: 0.5982480320059518
Energy: 0.6031983848175798
Energy: 0.6079947704679038
Energy: 0.612374878937757
Energy: 0.5875254635683825
Energy: 0.6087164002958803
Energy: 0.6124032030415681
Energy: 0.6533715434443602
Energy: 0.6554113661835863
Energy: 0.5849798751356518
Energy: 0.5851606634898141
Energy: 0.6029782402112195
Energy: 0.5848903086409356
Energy: 0.6034733393487903
Energy: 0.6548129397331579
Energy: 0.6149957016540157
Energy: 0.6565234955577152
Energy: 0.582767433425511
Energy: 0.5831169785294903
Energy: 0.6236351830834485
Energy: 0.8601220729147464
Energy: 0.6044251258531477
Energy: 0.6169032792802803
Energy: 0.5832816517973004
Energy: 0.6190798839553144
Energy: 0.6040029078094402
Energy: 0.6517472097613978
Energy: 0.5750215564063292
Energy: 0.6253227428816093
Energy: 0.5828534219529657
Energy: 0.5545317388936414
Energy: 0.6636921224174093
Energy: 0.5843363220180954
Energy: 0.6301736568857503
Energy: 0.6302008129135865
Energy: 0.5841131421621296
Energy: 0.5559615991135468
Energy: 0.6125919069984564
Energy: 0.5855843799313242
Energy: 0.6554722553492307
Energy: 0.6164028368270285
Energy: 0.5840620562973272
Energy: 0.6554582440218472
Energy: 0.616267730597343
Energy: 0.5844776889998013
Energy: 0.5828652287182663
Energy: 0.5828212812581695
Energy: 0.5844539874689552
Energy: 0.5835810568029037
Energy: 0.5853123585057476
Energy: 0.5822458146521621
Energy: 0.5950544934208941
Energy: 0.6053724600614407
Energy: 0.5821655735873763
Energy: 0.5829054505528931
Energy: 0.5840584394312186
Energy: 0.6974954248444948
Energy: 0.6194463851772668
Energy: 0.5957226571285444
Energy: 0.5610509949534273
Energy: 0.6031044569422767
Energy: 0.5954468976055358

minimum gb energy = 0.5545317388936414 eV
minimum distance =  2.37252712149763 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.757695916425267
Energy: 0.7401252848885399
Energy: 0.741635928767394
Energy: 0.7590268354009532
Energy: 0.759601477540609
Energy: 0.7429496090453801
Energy: 0.6813006566779213
Energy: 0.6276405191853534
Energy: 0.6264256458591383
Energy: 0.6500729698151897
Energy: 0.6451495340865914
Energy: 0.6290595146858282
Energy: 0.6460738700933
Energy: 0.6283024563559307
Energy: 0.6281878855929264
Energy: 0.6463980624645661
Energy: 0.6606158093381554
Energy: 0.6341615300913491
Energy: 0.651264496420633
Energy: 0.6598215540694655
Energy: 0.6307562992893125
Energy: 0.6456857384396378
Energy: 0.6588099005231587
Energy: 0.630808628059659
Energy: 0.6921664221994006
Energy: 0.6308964293949154
Energy: 0.6066746534343654
Energy: 0.6929365277131753
Energy: 0.6512387454294156
Energy: 0.6085446158279698
Energy: 0.7050599129468363
Energy: 0.6289664543615602
Energy: 0.6315408135394732
Energy: 0.7100967376297816
Energy: 0.6451016562600794
Energy: 0.6535355461949665
Energy: 0.6831305856792219
Energy: 0.6585956052432133
Energy: 0.6278431694302768
Energy: 0.6459175059638195
Energy: 0.6521691754426536
Energy: 0.6273011778041356
Energy: 0.6805836695147134
Energy: 0.6765164798890686
Energy: 0.6209431556984117
Energy: 0.6808685920498848
Energy: 0.6764772980720192
Energy: 0.6192879332424049
Energy: 0.6819249743794362
Energy: 0.605844030536291
Energy: 0.6057128289693464
Energy: 0.6980162205085685
Energy: 0.6072089883722765
Energy: 0.607527319059175
Energy: 0.745398775187914
Energy: 0.6521387563915454
Energy: 0.6282057372064919
Energy: 0.646253177861719
Energy: 0.6519924076223601
Energy: 0.6285227712004305
Energy: 0.7459439073743238
Energy: 0.6621214705214068
Energy: 0.6285410175764948
Energy: 0.6493975322966163
Energy: 0.6531360164021719
Energy: 0.6294602798554209
Energy: 0.6849997281123196
Energy: 0.6065359669849348
Energy: 0.605960761507597
Energy: 0.6905118478339339
Energy: 0.6093174821632762
Energy: 0.604829538214505
Energy: 0.6904598986174336
Energy: 0.6072300196602751
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Energy: 0.6905185761341291
Energy: 0.607013406271226
Energy: 0.6046937144774804
Energy: 0.646182775257083
Energy: 0.6600400856354816
Energy: 0.6288998235993546
Energy: 0.6470839858331433
Energy: 0.6588141605781107
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Energy: 0.6299309125347352
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Energy: 0.6462927669339896
Energy: 0.6473184022636054
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Energy: 0.6445302644844062
Energy: 0.6455601622304739
Energy: 0.6264072369190802
Energy: 0.6529955771464118
Energy: 0.6461019453228293
Energy: 0.6275638913289603
Energy: 1.008775347824148
Energy: 0.710864167532932
Energy: 0.8688684531857512
Energy: 0.9257569656840132
Energy: 0.7098428434805322
Energy: 0.6271653808315344
Energy: 0.7443106024912668
Energy: 0.6963287046418846
Energy: 0.6067269867891794
Energy: 0.6484920335866364
Energy: 0.6891498545126208
Energy: 0.606741068024904
Energy: 0.649433173903623
Energy: 0.7060306789791607
Energy: 0.6065550019975774
Energy: 0.6534824116007124
Energy: 0.6808558648363124
Energy: 0.6314030126670839
Energy: 0.6506669966589049
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Energy: 0.6510490365903411
Energy: 0.681089972013236
Energy: 0.627229284810199
Energy: 0.6071814385500885
Energy: 0.6592726943562159
Energy: 0.6274275866708119
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Energy: 0.631599108115467
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Energy: 0.6299667858772049
Energy: 0.6790897589157421
Energy: 0.644302743772601
Energy: 0.6577223724891018
Energy: 0.6266488891964466
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Energy: 0.6449571043294672
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Energy: 0.7403088982227366
Energy: 0.6056566811395805
Energy: 0.722788590734205
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Energy: 0.6616341260345949
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Energy: 0.6777114687592338
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Energy: 0.6315849688335717
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Energy: 0.677329442952374
Energy: 0.6454614105163959
Energy: 0.6780891295258274
Energy: 0.6442092776666336
Energy: 0.6793010335232155
Energy: 0.6266099316669983
Energy: 0.6077387642367424
Energy: 0.6455981695634793
Energy: 0.6279151623221126
Energy: 0.802068737516773
Energy: 0.6990870705012167
Energy: 0.6074729634311107
Energy: 0.6068636883371564
Energy: 0.7190418914312919
Energy: 0.6047843107648746

minimum gb energy = 0.6046937144774804 eV
minimum distance =  2.39242618074718 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.9021914121136203
Energy: 0.6591470979862453
Energy: 0.6599262759885327
Energy: 0.9030338487594464
Energy: 0.7817308362592301
Energy: 0.6581525891991741
Energy: 0.7834889443316955
Energy: 0.6750793790772477
Energy: 0.6742672813419284
Energy: 0.7149836803384211
Energy: 0.7116010116533698
Energy: 0.673686682991661
Energy: 0.7181440172083222
Energy: 0.6413597410842582
Energy: 0.6724124073878197
Energy: 0.717934104954044
Energy: 0.6410438348208641
Energy: 0.6725138603291363
Energy: 0.71799724508205
Energy: 0.6734928787119013
Energy: 0.6725539420875134
Energy: 0.7177600894007761
Energy: 0.6734839984539469
Energy: 0.6714564109567543
Energy: 0.707511504928067
Energy: 0.6746334105632177
Energy: 0.6739582961788201
Energy: 0.7080289950291281
Energy: 0.676761151270088
Energy: 0.6741804284795055
Energy: 0.7081277321184988
Energy: 0.6695772893932032
Energy: 0.6757339567243023
Energy: 0.7080874237398334
Energy: 0.6694643701364403
Energy: 0.6765590213900636
Energy: 0.784875096327815
Energy: 0.6754441813208574
Energy: 0.6745875920077957
Energy: 0.7731317144355583
Energy: 0.7106537782413216
Energy: 0.6734970973625658

minimum gb energy = 0.6410438348208641 eV
minimum distance =  2.43304975407383 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.2129716643552777
Energy: 0.8866134679873158
Energy: 0.7876512691472367
Energy: 0.89741181209982
Energy: 0.8789663467598221
Energy: 0.8192540970788176
Energy: 0.7930057979920255
Energy: 0.7433594679161281
Energy: 0.7512886249083682
Energy: 0.7767157107178444
Energy: 0.7539002175772815
Energy: 0.7314437711469177
Energy: 0.8009867594037682
Energy: 0.7584808942942378
Energy: 0.7579040502540033
Energy: 0.7317070714373857
Energy: 0.7714100040801619
Energy: 0.7323253699919319
Energy: 0.7811788695985882
Energy: 0.7315658793025939
Energy: 0.7806176970853206
Energy: 0.7859277711407546
Energy: 0.7598609878575792
Energy: 0.7312932509179455
Energy: 0.7812120108414106
Energy: 0.7736439590657703
Energy: 0.7802673908323288
Energy: 0.7854657014855672
Energy: 0.7974403497444751
Energy: 0.7747360933008834
Energy: 0.7755440133702244
Energy: 0.7707401159635636
Energy: 0.771777782105789
Energy: 0.7791129475039447
Energy: 0.8306231060683558
Energy: 0.7712108161087835
Energy: 0.7900044170248846
Energy: 0.7629442659424166
Energy: 0.8148460425860311
Energy: 0.8121335555473631
Energy: 0.8433296645630273
Energy: 0.8093394167829262
Energy: 1.0023680397554415
Energy: 0.8287078816670687
Energy: 0.8338324579690751
Energy: 0.7714566616958382
Energy: 0.8342239014004607
Energy: 0.7966194428304338
Energy: 0.7895480968571624
Energy: 0.7838799358377522
Energy: 0.7803684271943354
Energy: 0.812456263897449
Energy: 0.8015714353326917
Energy: 0.7981952915839713
Energy: 0.783742127977027
Energy: 0.7584759457615453
Energy: 0.7576190606910517
Energy: 0.773179734729244
Energy: 0.7585003147785785
Energy: 0.7583600610949184
Energy: 0.8527479562744131
Energy: 0.8150425603511198
Energy: 0.7581886473603243
Energy: 0.8490621998480802
Energy: 0.7904464666673781
Energy: 0.8110335976093521
Energy: 0.8640876526415028
Energy: 0.780667280781539
Energy: 0.7799018763952577
Energy: 0.859170953921375
Energy: 0.7833616892789133
Energy: 0.7803035625921602
Energy: 0.8023427295620511
Energy: 0.7823137818756091
Energy: 0.7833901968717627
Energy: 0.8083917333661489
Energy: 0.7820792838804957
Energy: 0.7895136095118954
Energy: 0.8241695435128201
Energy: 0.787972834196932
Energy: 0.7830000138114747
Energy: 0.8039328249662568
Energy: 0.7845315339623834
Energy: 0.7819081181140858
Energy: 0.8505243449295705
Energy: 0.7851522926710995
Energy: 0.8839582709283298
Energy: 0.7993666113179503
Energy: 0.7841670909766624
Energy: 0.7799618525500922
Energy: 0.8222371893666142
Energy: 0.7792578161330753
Energy: 0.7783792289654632
Energy: 0.8193733120110318
Energy: 0.8318979563235187
Energy: 0.7790719413808045
Energy: 0.9423968361570086
Energy: 0.7929016637546733
Energy: 0.7843166325109548
Energy: 0.9411654132907947
Energy: 0.7604809305985861
Energy: 0.8129730220424548
Energy: 0.8060546790185875
Energy: 0.7926306675161009
Energy: 0.812327014694334
Energy: 0.8080057511144346
Energy: 0.8041665061504144
Energy: 0.8013854989382446
Energy: 0.924046118024364
Energy: 0.8217142887891088
Energy: 0.7832609330881454
Energy: 0.8234525375505654
Energy: 0.7983021715848992
Energy: 0.7570886601573392
Energy: 0.8991182372122518
Energy: 0.7805251587501493
Energy: 0.7807402271775213
Energy: 0.7649799354204935
Energy: 0.8020672725362977
Energy: 0.7573593316406609
Energy: 0.8045417549642014
Energy: 0.8067833000996507
Energy: 0.8033893147493935
Energy: 0.812975962234123
Energy: 0.8026083176688105
Energy: 0.7873342641552706
Energy: 0.7981704159284452
Energy: 0.8052601773998816
Energy: 0.8043828516863056
Energy: 0.7990976086818145
Energy: 0.8025017793606483
Energy: 0.8041059809044189
Energy: 0.7984335689391664
Energy: 0.8038701174438233
Energy: 0.8224738252666022
Energy: 0.7999875312548822
Energy: 0.8015795528741534
Energy: 0.822745554820591
Energy: 0.8098399149796187
Energy: 0.7586290404505349
Energy: 0.757354834050748
Energy: 0.8109324641096239
Energy: 0.7584924253658446
Energy: 0.808407894019142
Energy: 0.7824168484585055
Energy: 0.7880970833594558
Energy: 0.7925174363407053
Energy: 0.8356942393562654
Energy: 0.809038289068131
Energy: 0.7962554033545431
Energy: 0.9301435051719689
Energy: 0.912705946321755
Energy: 0.857530354615138
Energy: 0.814367808274747
Energy: 0.9145977364631657
Energy: 0.7607066898267532
Energy: 0.7327477619542652
Energy: 0.8853330596993015
Energy: 0.8668050672491403
Energy: 0.7622084239810296
Energy: 0.9273225460233886
Energy: 0.7327305716145877
Energy: 0.7760315050018034
Energy: 0.7887344892630891
Energy: 0.7925912088416394
Energy: 0.822514809301691
Energy: 0.8712759079665535
Energy: 0.7922603944259032
Energy: 0.7819040583165094
Energy: 0.7593821051998443
Energy: 0.758924611084822
Energy: 0.7821633349288872
Energy: 0.7608741150899367
Energy: 0.7833288635822879
Energy: 0.7796769913987395
Energy: 0.8027590276770854
Energy: 0.7884080060365831
Energy: 0.7809362532204348
Energy: 0.8244407089910049
Energy: 0.786841035040657
Energy: 0.7797282074789962
Energy: 0.8113005835760312
Energy: 0.8005058790819292
Energy: 0.7846572064953466
Energy: 0.7969048538979084
Energy: 0.8007026217646138
Energy: 0.7836867639213206
Energy: 0.8304008333541428
Energy: 0.8071104564953717
Energy: 0.7914253462801509
Energy: 0.8791863167535336
Energy: 0.7736305531131584
Energy: 0.9365308337512611
Energy: 0.8526615668180357
Energy: 0.8360254717187661
Energy: 0.757994477557296
Energy: 0.8661832664063107
Energy: 0.7883550932003414
Energy: 0.7879962007921234
Energy: 0.7843089555304581
Energy: 0.7798149324558844
Energy: 0.7657784255456989
Energy: 0.7919064284221099
Energy: 0.7797969519415202
Energy: 0.7887152032144625
Energy: 0.7586191407736191
Energy: 0.7573221161423243
Energy: 0.7875185988733769
Energy: 0.7735827019097071
Energy: 0.7740384021733394
Energy: 0.8670944346316737
Energy: 0.7582708238095959
Energy: 0.7577256391275489
Energy: 0.8656113728647992
Energy: 0.7584460509837195
Energy: 0.804924589444106
Energy: 0.8225292737359055
Energy: 0.7846933012918021
Energy: 0.779268072413824
Energy: 0.8288947608028255
Energy: 0.8021223766267405
Energy: 0.8182695584350094
Energy: 0.803301156532747
Energy: 0.7835805853984704
Energy: 0.7825686901998073
Energy: 0.812901547223733
Energy: 0.7819881129404509
Energy: 0.838858037560857
Energy: 0.8250049597584173
Energy: 0.7856466973125097
Energy: 0.7810118819267212
Energy: 0.8198991752218644
Energy: 0.7843135199807904
Energy: 0.7818969013354822
Energy: 0.8497728538676789
Energy: 0.7839298134430829
Energy: 0.784605423595801
Energy: 0.8166373663122727
Energy: 0.7833802745925077
Energy: 0.7893061711328299
Energy: 0.8505461645878382
Energy: 0.7828458957954844
Energy: 0.7835600086050111
Energy: 0.8188815480810681
Energy: 0.8242379638069064
Energy: 0.783893045476733
Energy: 0.8961014136204963
Energy: 0.8011059246531406
Energy: 0.7582106923083902
Energy: 0.8465118166242257
Energy: 0.7923297216752202
Energy: 0.821748356094198
Energy: 0.884390270451956
Energy: 0.7591392844373605
Energy: 0.7871910075530365
Energy: 0.8814248248380805
Energy: 0.758988865301337
Energy: 0.7945694070050565
Energy: 0.792898869800524
Energy: 0.7802545476225121
Energy: 0.7798902985811753
Energy: 0.7936313856277986
Energy: 0.8373456076531183
Energy: 0.779840334954149
Energy: 1.064917678218791
Energy: 0.7536050286781644
Energy: 0.7989575797867616
Energy: 0.784906155619791
Energy: 0.7535331016652607
Energy: 0.7993729898442422
Energy: 0.7940849719351245
Energy: 0.7451149098422304
Energy: 0.8068700205484604
Energy: 0.813083426282574
Energy: 0.7434330077554989
Energy: 0.8035245090539243
Energy: 0.7943780060822309
Energy: 0.7892993833411341
Energy: 0.7908239841785587
Energy: 0.8092164658953328
Energy: 0.8002071673996874
Energy: 0.7903165031339368
Energy: 0.7992537826196708
Energy: 0.800333659552204
Energy: 0.796148320372657
Energy: 0.8024721206300354
Energy: 0.8068059437708159
Energy: 0.788891497696168
Energy: 0.8006686445271347
Energy: 0.7568933711842344
Energy: 0.7813050966060225
Energy: 0.8050066733591636
Energy: 0.7571152243154142
Energy: 0.7315681508439827
Energy: 0.8020693747896416
Energy: 0.7565017999699473
Energy: 0.756039823548652
Energy: 0.7316187679783747
Energy: 0.7562851394075213
Energy: 0.7324697884435061
Energy: 0.7940794822791152
Energy: 0.74165181634803
Energy: 0.7536942945522576
Energy: 0.7677855193493749
Energy: 0.7470802212978461
Energy: 0.7703826154417451

minimum gb energy = 0.7312932509179455 eV
minimum distance =  2.38477570941086 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.446478479714875
Energy: 0.8207117924820326
Energy: 0.7690298416480306
Energy: 0.769550926003122
Energy: 0.7283262538895512
Energy: 0.8215042666213757
Energy: 0.7576930447371869
Energy: 0.737044216501674
Energy: 0.7355243495384409
Energy: 0.7576347077015709
Energy: 0.7359988710765373
Energy: 0.7743023522157992
Energy: 0.8528103894630003
Energy: 0.7594224760222665
Energy: 0.7348423444911774
Energy: 0.800311731334956
Energy: 0.7832053887253708
Energy: 0.7484816747742686
Energy: 0.8112108479599217
Energy: 0.734546082842024
Energy: 0.8273497851658221
Energy: 0.813547332877341
Energy: 0.7583444992671599
Energy: 0.7502695770878963
Energy: 0.8051047617161232
Energy: 0.8157518272442881
Energy: 0.8261193998962217
Energy: 0.8070533783466959
Energy: 0.8281557305737255
Energy: 0.804776380192095
Energy: 0.8067730449619308
Energy: 0.8182521118875784
Energy: 0.7992770466310906
Energy: 0.8263770504162556
Energy: 0.8232436227733909
Energy: 0.7984381473607168
Energy: 0.8035229242360501
Energy: 0.7921371939039774
Energy: 0.807591684418054
Energy: 0.8839534497200314
Energy: 0.8047910327275392
Energy: 0.8139960502074105
Energy: 0.9583475588286997
Energy: 0.901274362844923
Energy: 0.9900497353933444
Energy: 0.7372974754818731
Energy: 1.0496025378907008
Energy: 0.7696284816134245
Energy: 0.8724140629482674
Energy: 0.7903415185657366
Energy: 0.8096288744182367
Energy: 0.8343843938643734
Energy: 0.8122202575247108
Energy: 0.8161996177403636
Energy: 0.8896271874028764
Energy: 0.7491364381153962
Energy: 0.7803781319969509
Energy: 0.911930298754584
Energy: 0.761194542803272
Energy: 0.7809289632054013
Energy: 0.8548615189736178
Energy: 0.7814063867729175
Energy: 0.7835319107539892
Energy: 0.8439201435858892
Energy: 0.7602560071253012
Energy: 0.8346140166976356
Energy: 0.8176374273960652
Energy: 0.8319146053218008
Energy: 0.787261666028969
Energy: 0.80537617883563
Energy: 0.8119882012147751
Energy: 0.7867794637790501
Energy: 0.8172753410673547
Energy: 0.8056721271215063
Energy: 0.8238897946811036
Energy: 0.7576397251616765
Energy: 0.8047956663182005
Energy: 0.7585403761105434
Energy: 0.7792054891097437
Energy: 0.810399722348034
Energy: 0.8064739199467718
Energy: 0.8153178919062694
Energy: 0.8048497940757809
Energy: 0.8072528760030411
Energy: 0.9564302147646222
Energy: 0.8498318520195474
Energy: 0.8505712485712941
Energy: 0.8208131405865946
Energy: 0.8509636190255998
Energy: 0.8180338224386413
Energy: 0.7860266151410336
Energy: 0.8143139567353109
Energy: 0.8173751650734247
Energy: 0.7820879283342309
Energy: 0.8068211758584285
Energy: 0.8018292651268107
Energy: 0.9363393679951368
Energy: 0.745853127151278
Energy: 0.7365788804997342
Energy: 0.9368417538100807
Energy: 0.7361878218149808
Energy: 0.7693886540846726
Energy: 0.7528191493332522
Energy: 0.7852992464157333
Energy: 0.7843354287042603
Energy: 0.7811696891813613
Energy: 0.7851689521922628
Energy: 0.7762419842093784
Energy: 0.7830686988205128
Energy: 0.7854352790867242
Energy: 0.7854778028596608
Energy: 0.8030868747245276
Energy: 0.7871297767650336
Energy: 0.7858436048348885
Energy: 0.7842066566532986
Energy: 0.786988573292701
Energy: 0.7863990691356635
Energy: 0.7765053972759043
Energy: 0.8418338243846358
Energy: 0.7862862238789231
Energy: 0.7807220317711223
Energy: 0.7853661749798528
Energy: 0.7827569550056171
Energy: 0.7810278749255988
Energy: 0.7851546981629866
Energy: 0.776023508476042
Energy: 0.8146402485357832
Energy: 0.7578565528927956
Energy: 0.7571934740589767
Energy: 0.8145516380506754
Energy: 0.7675128096494764
Energy: 0.7992738418290315
Energy: 0.7842286458649798
Energy: 0.8361512646888294
Energy: 0.7808048439497757
Energy: 0.7801449427313926
Energy: 0.8090435656021748
Energy: 0.7822877937746656
Energy: 0.8146246907006742
Energy: 0.866452430280347
Energy: 0.8299201186439701
Energy: 0.8142493438755233
Energy: 0.8346342363717342
Energy: 0.8303128646642585
Energy: 0.7754442191247279
Energy: 0.8183251394201423
Energy: 0.8192605795887461
Energy: 0.7977670806376153
Energy: 0.809999654840112
Energy: 0.8309248863948028
Energy: 0.9585916649986808
Energy: 0.86751040590884
Energy: 0.8053271228158466
Energy: 0.7684915764337001
Energy: 0.9451011410699589
Energy: 0.8183930399570778
Energy: 0.9582825453945305
Energy: 0.8306676633518636
Energy: 0.7880990221396788
Energy: 0.775721952301231
Energy: 0.8120353778501568
Energy: 0.8123238624637553
Energy: 0.8368189084553332
Energy: 0.7717343566704226
Energy: 0.8333271564618403
Energy: 0.9045877527866606
Energy: 0.7598662252657474
Energy: 0.8341302106329246
Energy: 0.8591269704825847
Energy: 0.7841058749997128
Energy: 0.7803028374115673
Energy: 0.8692756842975353
Energy: 0.7842420809498539
Energy: 0.7810369862998201
Energy: 0.8712356696523599
Energy: 0.8281179853927663
Energy: 0.8104802360399583
Energy: 0.8362461271144119
Energy: 0.8164608581895068
Energy: 0.8175295009819935
Energy: 0.8171431891336256
Energy: 0.8301743111204843
Energy: 0.8085683482813446
Energy: 0.7682937946646715
Energy: 0.8605168844779314
Energy: 0.7345438361050994
Energy: 0.8083175113895036
Energy: 0.789600876245057
Energy: 0.789354049843119
Energy: 0.8394712973032443
Energy: 0.7912470560516659
Energy: 0.7827144643903129
Energy: 0.9470368580574231
Energy: 0.8057862684962999
Energy: 0.8121991231767938
Energy: 0.8281243125006252
Energy: 0.8100492973164884
Energy: 0.8138284297910575
Energy: 0.8105746210485506
Energy: 0.8106074686369639
Energy: 0.8837034513739437
Energy: 0.8090309995339506
Energy: 0.8281656500345466
Energy: 0.8103500902694472
Energy: 0.8177221957328397
Energy: 0.7573858129491832
Energy: 0.8266527107037368
Energy: 0.8149838162513191
Energy: 0.7511682299900937
Energy: 0.7744745580774811
Energy: 0.9232070975859292
Energy: 0.7467197949947311
Energy: 0.7539474468790235
Energy: 0.8647360921579186
Energy: 0.7528720333490343
Energy: 0.8171404960678157
Energy: 0.8639866287131862
Energy: 0.7362618988276584
Energy: 0.779298847634367
Energy: 0.7573678532358395
Energy: 0.7368288680737397
Energy: 0.7725991215921324
Energy: 0.9027487779336189
Energy: 0.8267824234087887
Energy: 0.7685970039648371
Energy: 0.7137848196479257
Energy: 0.8268956196179245
Energy: 0.844769393936541

minimum gb energy = 0.7137848196479257 eV
minimum distance =  2.325093220452 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.2761038968539675
Energy: 0.8670922893156638
Energy: 0.839169764649078
Energy: 0.8151667146541793
Energy: 0.8723709614744133
Energy: 0.7695296217612903
Energy: 0.7487676241795558
Energy: 0.7292588882805677
Energy: 0.7295721413980505
Energy: 0.76050870415644
Energy: 0.7290251081109898
Energy: 0.7386116726567447
Energy: 0.742891319999471
Energy: 0.7524347768310911
Energy: 0.7518584836106927
Energy: 0.7426118413976652
Energy: 0.7523668845332843
Energy: 0.7443096768467188
Energy: 0.7446137605642612
Energy: 0.749585667843719
Energy: 0.7438112061794265
Energy: 0.7445619420226142
Energy: 0.7352284242715129
Energy: 0.7439609510081916
Energy: 0.7265348523256014
Energy: 0.748140769388388
Energy: 0.7479494874334617
Energy: 0.7265426203684627
Energy: 0.726913064896274
Energy: 0.7557200432202941
Energy: 0.7280910572524949
Energy: 0.7383268917521706
Energy: 0.7555045239480521
Energy: 0.739087030468293
Energy: 0.7272105577612779
Energy: 0.7485618529549911
Energy: 0.726465074518559
Energy: 0.7266930264945028
Energy: 0.7265508630448372
Energy: 0.7264463684653041
Energy: 0.7265216437640987
Energy: 0.7378867115631069
Energy: 0.8781713191813937
Energy: 0.7292454711834273
Energy: 0.7276852960749779
Energy: 0.7450264336876256
Energy: 0.7273756381139499
Energy: 0.7451627975327308
Energy: 0.7289237127607403
Energy: 0.7441662795273368
Energy: 0.7437492827582638
Energy: 0.7289789758026184
Energy: 0.7432597498970474
Energy: 0.726657523825177
Energy: 0.7294677278328878
Energy: 0.745536054754241
Energy: 0.7455937246519472
Energy: 0.7293307951363939
Energy: 0.7451888076394814
Energy: 0.7457863711285593
Energy: 0.7272346137647251
Energy: 0.7445583490830336
Energy: 0.7437053636562985
Energy: 0.7271836861590099
Energy: 0.752662760525587
Energy: 0.7301945999582349
Energy: 0.744291509576387
Energy: 0.7438001361858455
Energy: 0.7440177309559147
Energy: 0.713826519072342
Energy: 0.7874462748380349
Energy: 0.7444357161079408
Energy: 0.7423146177108062
Energy: 0.7446699899528747
Energy: 0.7401757920629942
Energy: 0.7481829359833203
Energy: 0.7451149511170165
Energy: 0.7373294632486374
Energy: 0.7269552540959823
Energy: 0.7270786707510618
Energy: 0.7664736729461679
Energy: 0.7288400108803463
Energy: 0.7870782287427363
Energy: 0.7290350636522733
Energy: 0.7257997549459426
Energy: 0.7661885371243725
Energy: 0.7292941468349913
Energy: 0.7255416878014023
Energy: 0.7725643909392687
Energy: 0.730008879681104
Energy: 0.7253655348334861
Energy: 0.7820868681337718
Energy: 0.7242394878170426
Energy: 0.7236564978783253
Energy: 0.7857290971852969
Energy: 0.7237012247404354
Energy: 0.7440395387839859
Energy: 0.74614721207001
Energy: 0.7450716500746976
Energy: 0.7448063299255667
Energy: 0.7259327398789753
Energy: 0.7441032330433853
Energy: 0.7455248509294048
Energy: 0.7456139200182842
Energy: 0.7269648375465
Energy: 0.7574473877949571
Energy: 0.7866029151765318
Energy: 0.727328307858678
Energy: 0.7298610486723186
Energy: 0.7442143668448199
Energy: 0.7441804063301176
Energy: 0.8270379814336827
Energy: 0.748592029788703
Energy: 0.745427119168799
Energy: 0.7294780928620417
Energy: 0.7442209781584745
Energy: 0.7469120089577236
Energy: 0.7449279458232629
Energy: 0.7653672324913197
Energy: 0.7460170638375936
Energy: 0.7435412735056169
Energy: 0.7339598052736708
Energy: 0.727283262534035
Energy: 0.757885960841197
Energy: 0.741720260603931
Energy: 0.7268283579345476
Energy: 0.8525484516667596
Energy: 0.7394564367453379
Energy: 0.7391902910721673
Energy: 0.8523468329063577
Energy: 0.7479427770397786
Energy: 0.8164203939292946
Energy: 0.7573848875141636
Energy: 0.7273579117232046
Energy: 0.7270037655683238
Energy: 0.7576101194219983
Energy: 0.7495133293647361
Energy: 0.7456142810491787
Energy: 0.8358594337295346
Energy: 0.7831238008128594
Energy: 0.742655012902766
Energy: 0.7384611599566284
Energy: 0.7568584763642336
Energy: 0.7404750780807304
Energy: 0.7860364373989778
Energy: 0.7278655688277592
Energy: 0.7276236518206916
Energy: 0.7861735240930845
Energy: 0.7283549075151271
Energy: 0.727139580190042
Energy: 0.7857446799708466
Energy: 0.7275913041439503
Energy: 0.7400962149177251
Energy: 0.767518750962217
Energy: 0.7271514421792641
Energy: 0.7658940422026591
Energy: 0.7865794418017179
Energy: 0.7270014033815311
Energy: 0.7269505853385653
Energy: 0.7868322093883057
Energy: 0.7267651384260596
Energy: 0.726762737821898
Energy: 0.7903837970510809
Energy: 0.7703569864887859
Energy: 0.7379803410524804
Energy: 0.7437689034783815
Energy: 0.7285051577616131
Energy: 0.7439881629586417
Energy: 0.7789633629838599
Energy: 0.7444670411759435
Energy: 0.7445952245817063
Energy: 0.7797114485588073
Energy: 0.7436168036207671
Energy: 0.7444311831605499
Energy: 0.7442778945431817
Energy: 0.729157837016685
Energy: 0.7663520202238573
Energy: 0.7613456097476842
Energy: 0.7289764561537235
Energy: 0.7269794212830785
Energy: 0.7481042663572028
Energy: 0.7569305655221419
Energy: 0.7498364399362967
Energy: 0.7396511933336878
Energy: 0.848830390695756
Energy: 0.7477996970029314

minimum gb energy = 0.713826519072342 eV
minimum distance =  2.39478036827331 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9834589758635542
Energy: 0.7697659778023072
Energy: 0.769218668963994
Energy: 0.7082292956529996
Energy: 0.7542452320439367
Energy: 0.7696451030769299
Energy: 0.7022591106915215
Energy: 0.7421910032881615
Energy: 0.7424509974549632
Energy: 0.7414987196584663
Energy: 0.7415119556754027
Energy: 0.7607682436868917
Energy: 0.7442858269279659
Energy: 0.7047037672221113
Energy: 0.70428772038357
Energy: 0.7335223124361994
Energy: 0.7041980565504572
Energy: 0.7043252580236611
Energy: 0.7335593048274409
Energy: 0.7044291563823863
Energy: 0.7068393580575187
Energy: 0.732340258468297
Energy: 0.7560305848897222
Energy: 0.7325277177848452
Energy: 0.7315558867192105
Energy: 0.7391476304818919
Energy: 0.7395308185772869
Energy: 0.7315548088025612
Energy: 0.7298829348890973
Energy: 0.729719278099642
Energy: 0.7010311178563803
Energy: 0.7268123425483611
Energy: 0.731132160519716
Energy: 0.7271846081313862
Energy: 0.7328401888797418
Energy: 0.7299018838256214
Energy: 0.7418031856030073
Energy: 0.732050898748874
Energy: 0.7321866264821633
Energy: 0.7429693800605833
Energy: 0.7321276505775121
Energy: 0.7323082326517516
Energy: 0.7303489544936985
Energy: 0.7303700127860567
Energy: 0.7399902150931261
Energy: 0.7280235465339443
Energy: 0.7321143177825445
Energy: 0.7346650698904793
Energy: 0.7404095357414622
Energy: 0.7429301992740363
Energy: 0.7422900932720566
Energy: 0.7406237099742798
Energy: 0.7412415053427143
Energy: 0.747223900205484
Energy: 0.7917254810259813
Energy: 0.7344371754511758
Energy: 0.7352034480370238
Energy: 0.7409813382725451
Energy: 0.7343990323360846
Energy: 0.7342617444664015
Energy: 0.7367016529476939
Energy: 0.7305641775305337
Energy: 0.732028484230243
Energy: 0.7410871288072047
Energy: 0.7618630442984579
Energy: 0.7319254609174096
Energy: 0.7019016677539177
Energy: 0.743283290644652
Energy: 0.7339449237764795
Energy: 0.7030138399638783
Energy: 0.7423789800338025
Energy: 0.7582270476339419
Energy: 0.7028967771966984
Energy: 0.7338866403941292
Energy: 0.7567015411655165
Energy: 0.7068937447294932
Energy: 0.7436944409979995
Energy: 0.7569721485275018
Energy: 0.735345400011995
Energy: 0.741766521589177
Energy: 0.7390406149587608
Energy: 0.7409074468156839
Energy: 0.7411359201296147
Energy: 0.7322246594271725
Energy: 0.7320644777043583
Energy: 0.7070126791304865
Energy: 0.7196002645488584
Energy: 0.7321873601888976
Energy: 0.7064239594099306
Energy: 0.7093419742055754
Energy: 0.7320025649763668
Energy: 0.728817654997218
Energy: 0.7314565380730049
Energy: 0.7323041585285371
Energy: 0.7421885931101035
Energy: 0.7387487827416365
Energy: 0.7310143262173624
Energy: 0.7382105543793527
Energy: 0.738765171541519
Energy: 0.7313985019372593
Energy: 0.7382951741431676
Energy: 0.7310895335249062
Energy: 0.7317151430993418
Energy: 0.7326550480806473
Energy: 0.7267010137825798
Energy: 0.7319471510907595
Energy: 0.7326255649661951
Energy: 0.7401804047119608
Energy: 0.742238372296469
Energy: 0.7314491328947972
Energy: 0.7319367906627989
Energy: 0.7427951130760784
Energy: 0.731401544722862
Energy: 0.7350101322570901
Energy: 0.7421237386259829
Energy: 0.7335246648967584
Energy: 0.7323167765057403
Energy: 0.7428560216242529
Energy: 0.7326580800080337
Energy: 0.734837996481957
Energy: 0.7423426405476151
Energy: 0.7442036561907289
Energy: 0.7422940542606548
Energy: 0.7424563275296455
Energy: 0.7421657090046598
Energy: 0.7386684067447908
Energy: 0.7760911349688967
Energy: 0.7307460737022147
Energy: 0.7321548101445314
Energy: 0.755245573633599
Energy: 0.7349541864346189
Energy: 0.737759745760413
Energy: 0.7349709272165341
Energy: 0.7415803366334507
Energy: 0.7420972620640636
Energy: 0.7405903013623061
Energy: 0.7412120048115471
Energy: 0.742309823143032
Energy: 0.7030160684887126
Energy: 0.7321347419891362
Energy: 0.7567047754165542
Energy: 0.7069743619637422
Energy: 0.7447366241281995
Energy: 0.7568575115714792

minimum gb energy = 0.7010311178563803 eV
minimum distance =  2.35478479767539 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.10026819357006
Energy: 0.8622014982483263
Energy: 0.8609057853307658
Energy: 0.7307334947671372
Energy: 0.793434830157257
Energy: 0.7301828435439445
Energy: 0.6922980558846539
Energy: 0.7599808655100097
Energy: 0.7599065058496198
Energy: 0.7674693141599241
Energy: 0.7602871130984042
Energy: 0.7195252418222329
Energy: 0.9322473130142366
Energy: 0.6853512024769564
Energy: 0.6925679362554726
Energy: 0.7600034682592252
Energy: 0.6892374717353436
Energy: 0.693545125699117
Energy: 0.7593756157297008
Energy: 0.6892922024163685
Energy: 0.6932939216211451
Energy: 0.7594609235323025
Energy: 0.7470296975439256
Energy: 0.7599565374033832
Energy: 0.6813859407722505
Energy: 0.6937159470475786
Energy: 0.6913492024328566
Energy: 0.681855101588949
Energy: 0.6938250013180506
Energy: 0.6914080620802066
Energy: 0.692865226263063
Energy: 0.6741316406687259
Energy: 0.691081500331125
Energy: 0.6811874929287737
Energy: 0.6740990825691288
Energy: 0.6804108173482055
Energy: 0.6738099890928912
Energy: 0.6732332309626621
Energy: 0.6732653960600671
Energy: 0.6739237218079376
Energy: 0.6770936768659104
Energy: 0.6805148565315519
Energy: 0.6743756526464474
Energy: 0.6833450446297372
Energy: 0.6834508196429099
Energy: 0.6835569928834814
Energy: 0.6833864120231283
Energy: 0.6976788388188603
Energy: 0.6754991423758946
Energy: 0.6850122090267922
Energy: 0.685552464144073
Energy: 0.6767975464916393
Energy: 0.6926218390665991
Energy: 0.6739419997559609
Energy: 0.6738501862988079
Energy: 0.6871099284103851
Energy: 0.6909317599695178
Energy: 0.674008780520395
Energy: 0.6869766358722804
Energy: 0.6925536394627794
Energy: 0.7854496071936277
Energy: 0.6872013082484522
Energy: 0.6917829200805632
Energy: 0.6932455942808216
Energy: 0.7600877118366148
Energy: 0.692578217855775
Energy: 0.7583136935770615
Energy: 0.7594449942027915
Energy: 0.7593655235889838
Energy: 0.7584226719972588
Energy: 0.7595967113519848
Energy: 0.759679675229723
Energy: 0.7580021687704183
Energy: 0.7601161704622608
Energy: 0.7600400074638074
Energy: 0.6912278130393411
Energy: 0.759926764326966
Energy: 0.7598072876536803
Energy: 0.7661798487182312
Energy: 0.7601927415944059
Energy: 0.7602342791768183
Energy: 0.7653293722924756
Energy: 0.7604884078664739
Energy: 0.7200619244116979
Energy: 0.8573075922568674
Energy: 0.767987445430348
Energy: 0.7680498953653377
Energy: 0.7702555662773056
Energy: 0.760284684107838
Energy: 0.7700709801700684
Energy: 0.8510270594141406
Energy: 0.7669558900956311
Energy: 0.7383981058519777
Energy: 0.7606209421365138
Energy: 0.7665152381635957
Energy: 0.7601641886572837
Energy: 0.7476472803504157
Energy: 0.7597130042662089
Energy: 0.8255761005008819
Energy: 0.8246000889409374
Energy: 0.7695445744662796
Energy: 0.8255328547033184

minimum gb energy = 0.6732332309626621 eV
minimum distance =  2.36777482862004 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.1436745242024267
Energy: 0.8246354932701319
Energy: 0.698132783503626
Energy: 0.6980181835266377
Energy: 0.7655510225834219
Energy: 0.6977541042749471
Energy: 0.6744343151753719
Energy: 0.7362485908889512
Energy: 0.7336592295818972
Energy: 0.7425599736160587
Energy: 0.7380264644592621
Energy: 0.6484405296258458
Energy: 0.8770710398351638
Energy: 0.6385070130299623
Energy: 0.6694990936877685
Energy: 0.7360573791199573
Energy: 0.6382423326436845
Energy: 0.6733399970798511
Energy: 0.7395462645070976
Energy: 0.6656386549941974
Energy: 0.6738801462170769
Energy: 0.740474879594672
Energy: 0.6158735176954802
Energy: 0.6739837328694727
Energy: 0.6520333318662712
Energy: 0.6591215334301684
Energy: 0.6582458635468171
Energy: 0.6523386645750447
Energy: 0.6587522931395984
Energy: 0.6488842380564669
Energy: 0.6739956626010101
Energy: 0.643499445660872
Energy: 0.6364314404702023
Energy: 0.6384993698707351
Energy: 0.643616666130239
Energy: 0.6370339890098657
Energy: 0.6018856506447009
Energy: 0.6436155626385271
Energy: 0.6436042860084671
Energy: 0.6242641993461869
Energy: 0.6460401947287762
Energy: 0.6368193549095582
Energy: 0.602716737000152
Energy: 0.6182888342923938
Energy: 0.6279890900550581
Energy: 0.640746727532917
Energy: 0.6183998477561846
Energy: 0.6282006428287747
Energy: 0.6032897528075373
Energy: 0.6270254721715687
Energy: 0.6243471595983751
Energy: 0.6043918689795008
Energy: 0.612821198655447
Energy: 0.6030017305296465
Energy: 0.6025690703862598
Energy: 0.6213388309511158
Energy: 0.6209528114968857
Energy: 0.6023621742640407
Energy: 0.6228780430139232
Energy: 0.6209362446702075
Energy: 0.6022833440204174
Energy: 0.6024558854482598
Energy: 0.6211277362456461
Energy: 0.6224036335562131
Energy: 0.602593899538899
Energy: 0.6210296854619624
Energy: 0.6043579109680447
Energy: 0.6030977518419199
Energy: 0.6026991269456641
Energy: 0.6052621184758322
Energy: 0.6067217382700187
Energy: 0.6205177614893221
Energy: 0.6113324011445043
Energy: 0.6279980794122237
Energy: 0.6275902389880174
Energy: 0.657738316730552
Energy: 0.628158863233945
Energy: 0.6274524398460816
Energy: 0.6430873378487083
Energy: 0.6358462499210822
Energy: 0.6355476758175794
Energy: 0.6441059174072158
Energy: 0.6240852453125041
Energy: 0.6436044403053943
Energy: 0.6436514694451908
Energy: 0.6300600812597744
Energy: 0.6307303416430862
Energy: 0.6435584023062961
Energy: 0.6429116690285205
Energy: 0.6558492594697516
Energy: 0.8206627180246833
Energy: 0.7359566993444403
Energy: 0.6561466287380905
Energy: 0.6589815311249991
Energy: 0.7357576884873066
Energy: 0.6597942966136113
Energy: 0.6029035039088309
Energy: 0.7370201201651337
Energy: 0.7367710168531024
Energy: 0.6039094017438205
Energy: 0.7369693076733124
Energy: 0.6594086476997159
Energy: 0.6542500176000964
Energy: 0.7364439807520129
Energy: 0.734767263746241
Energy: 0.6544884555999387
Energy: 0.7360862152882196
Energy: 0.6589999044562186
Energy: 0.8188806035712836
Energy: 0.735907749807794
Energy: 0.6981233307997963
Energy: 0.7368613845444716
Energy: 0.6678878162937706
Energy: 0.6563091281434852
Energy: 0.8813820904811541
Energy: 0.6591489269022568
Energy: 0.6625669293321966
Energy: 0.7426880010967866
Energy: 0.6607981428645652
Energy: 0.7396727813562542
Energy: 0.8753431713404479
Energy: 0.7363816324075364
Energy: 0.7358248210462379
Energy: 0.7366321053944646
Energy: 0.7411213636764628
Energy: 0.7365863993966241
Energy: 0.6120084061121163
Energy: 0.742308242662719
Energy: 0.7976731778609071
Energy: 0.6572127953452397
Energy: 0.798894808645142
Energy: 0.676763842562293
Energy: 0.6147794241035578
Energy: 0.7367615088455425
Energy: 0.734635763602059
Energy: 0.6156818996367897
Energy: 0.7403937290721125
Energy: 0.7197186528071766
Energy: 0.8769487288440417
Energy: 0.7211900634442472
Energy: 0.6517683537875452
Energy: 0.7381012147750127
Energy: 0.6135902743299566
Energy: 0.735686096172373
Energy: 0.7357351022758241
Energy: 0.6394576686478766
Energy: 0.6719935624078808
Energy: 0.736102506715241
Energy: 0.63981970684366
Energy: 0.6734043558972213
Energy: 0.7374221546508274
Energy: 0.6593277369065065
Energy: 0.6605652393104827
Energy: 0.7383915119045263
Energy: 0.658720676627823
Energy: 0.660284530752869
Energy: 0.673661325811851
Energy: 0.6642961930828731
Energy: 0.6561696455923126
Energy: 0.637396466540565
Energy: 0.6635956296768291
Energy: 0.6375684318897048
Energy: 0.5975566925995498
Energy: 0.6434820783308005
Energy: 0.6436471935577787
Energy: 0.5924834271690675
Energy: 0.6455614195970976
Energy: 0.6435995430610182
Energy: 0.8290889871445712
Energy: 0.6313714924884267
Energy: 0.6304709410078289
Energy: 0.633933455781655
Energy: 0.6437221837153676
Energy: 0.6345243823614202
Energy: 0.6027890727561354
Energy: 0.6180641961783442
Energy: 0.6273250307778068
Energy: 0.6027848367296782
Energy: 0.6181405505708417
Energy: 0.626900914827998
Energy: 0.6068649937498585
Energy: 0.6252140731758492
Energy: 0.6246009136968894
Energy: 0.6078133362887638
Energy: 0.6209788471097888
Energy: 0.6184460792189029
Energy: 0.6024266995648013
Energy: 0.6252687441663979
Energy: 0.6257302382874111
Energy: 0.6293274966737863
Energy: 0.6227702942007659
Energy: 0.6257560466951139
Energy: 0.6554695555523259
Energy: 0.6028143333806888
Energy: 0.602833120128221
Energy: 0.6546778571923325
Energy: 0.6036068961973433
Energy: 0.6029305460006722
Energy: 0.6126759703944632
Energy: 0.6274151273411364
Energy: 0.6309847865214613
Energy: 0.6403903095617661
Energy: 0.6027232273514184
Energy: 0.6321226942025757
Energy: 0.6492901096197257
Energy: 0.6324567711837946
Energy: 0.6320343998645478
Energy: 0.6501702145424276
Energy: 0.6329342945554444
Energy: 0.6325843076125476
Energy: 0.650190794416985
Energy: 0.6287434416004498
Energy: 0.6584785960010251
Energy: 0.6436668282391964
Energy: 0.6283849860612574
Energy: 0.6592418245829463
Energy: 0.8265942438689627
Energy: 0.6474683912739848
Energy: 0.6486897749945455
Energy: 0.6618166914061444
Energy: 0.6542100995544277
Energy: 0.6574542412979076
Energy: 0.6089014559445146
Energy: 0.7364121801392693
Energy: 0.735790310225808
Energy: 0.6526850603914636
Energy: 0.7377591614543336
Energy: 0.659310196246195
Energy: 0.6532748841406398
Energy: 0.742336127373539
Energy: 0.6657759764871911
Energy: 0.6497254930325361
Energy: 0.7358235081337027
Energy: 0.6616555033128919
Energy: 0.8248306983350546
Energy: 0.7364320482233595
Energy: 0.7361770354710201
Energy: 0.7387897804383071
Energy: 0.7388596309096689
Energy: 0.6946138680076905
Energy: 0.8250982205165973
Energy: 0.6599547026278353
Energy: 0.7272462427011459
Energy: 0.7423656590362008
Energy: 0.6585238391799952
Energy: 0.7359264618365223
Energy: 0.8765843106795348
Energy: 0.6862744040631412
Energy: 0.6495204001866036
Energy: 0.7390222221263025
Energy: 0.652836663044231
Energy: 0.7348140058833109
Energy: 0.7122576544374528
Energy: 0.7364038659589437
Energy: 0.7345465976592503
Energy: 0.7122078345482015
Energy: 0.7400156561184692
Energy: 0.7201388570586337

minimum gb energy = 0.5924834271690675 eV
minimum distance =  2.35095903426988 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.0309590264606798
Energy: 0.7814752333916025
Energy: 0.6718375765070913
Energy: 0.6278695019431738
Energy: 1.0151694522687038
Energy: 0.6742469815462243
Energy: 0.790493560278828
Energy: 0.7116319388670715
Energy: 0.6176125625974833
Energy: 0.7124369218749256
Energy: 0.7077445727552779
Energy: 0.6199158978294657
Energy: 0.8246109180947218
Energy: 0.6007862782608255
Energy: 0.6006334838961751
Energy: 0.713841307441727
Energy: 0.6009165428398693
Energy: 0.649936516888808
Energy: 0.7087899808063906
Energy: 0.6006257995505836
Energy: 0.6511537320370748
Energy: 0.709577051386298
Energy: 0.6167420022946276
Energy: 0.6513548788398209
Energy: 0.6127190065860141
Energy: 0.6286611515373095
Energy: 0.631141777369464
Energy: 0.6129704304528529
Energy: 0.6292320170844505
Energy: 0.6202239271708163
Energy: 0.5879067167360865
Energy: 0.6208674487249883
Energy: 0.5998158221016302
Energy: 0.5776628595928576
Energy: 0.6203798572835594
Energy: 0.6002299923914095
Energy: 0.6671845072218817
Energy: 0.6261193328657209
Energy: 0.620504821042641
Energy: 0.5896297419110031
Energy: 0.6241854688597172
Energy: 0.5967437810221852
Energy: 0.7457572609550605
Energy: 0.5757703861622079
Energy: 0.575723650153874
Energy: 0.5908465677450009
Energy: 0.5758519820594712
Energy: 0.58827408734641
Energy: 0.5747861053380507
Energy: 0.5863098883369747
Energy: 0.5720580947151785
Energy: 0.5761094951921493
Energy: 0.5502079927063086
Energy: 0.572705676590083
Energy: 0.5721707048356202
Energy: 0.5764819374422001
Energy: 0.5874173742688086
Energy: 0.572244054250233
Energy: 0.6020905617738977
Energy: 0.5765807709076676
Energy: 0.5549515137230148
Energy: 0.5504880690616644
Energy: 0.571601211722577
Energy: 0.5742869188923609
Energy: 0.550586153748402
Energy: 0.5716321952060558
Energy: 0.5759199813667033
Energy: 0.5568678614742705
Energy: 0.5503303632091271
Energy: 0.5763146730209292
Energy: 0.5539279777856787
Energy: 0.5712672638690184
Energy: 0.5509699127538311
Energy: 0.61306165758145
Energy: 0.5932139881257553
Energy: 0.5724688700416853
Energy: 0.6166223312308389
Energy: 0.5750946191948599
Energy: 0.5508134292159432
Energy: 0.5727053267873815
Energy: 0.5498458032453635
Energy: 0.5522111024191657
Energy: 0.5596329407772312
Energy: 0.5505743908138029
Energy: 0.5498295668372601
Energy: 0.5736125817679013
Energy: 0.5718880629055886
Energy: 0.5499954827169541
Energy: 0.6003536077685107
Energy: 0.571855049761157
Energy: 0.5514208590793022
Energy: 0.5724314896269007
Energy: 0.5843913249317935
Energy: 0.5837265662237602
Energy: 0.580732357203831
Energy: 0.583712099424298
Energy: 0.5844600759234656
Energy: 0.5725119432017397
Energy: 0.5725792843499585
Energy: 0.572169879177395
Energy: 0.578264271477942
Energy: 0.586790099797115
Energy: 0.5527008865343729
Energy: 0.5931693398207543
Energy: 0.5939113216428461
Energy: 0.5537814907846829
Energy: 0.5885940469449483
Energy: 0.5946055654105691
Energy: 0.6207230318504344
Energy: 0.5957888750144748
Energy: 0.6206954820501689
Energy: 0.6221040030425716
Energy: 0.5867216547682279
Energy: 0.6206544177284095
Energy: 0.7757312102369689
Energy: 0.603779407569533
Energy: 0.6045259218803759
Energy: 0.7132268780924766
Energy: 0.5921360537303809
Energy: 0.6263247659598189
Energy: 0.7767434693147969
Energy: 0.6294484256487705
Energy: 0.6321977343490731
Energy: 0.6289841435673744
Energy: 0.7116998882335707
Energy: 0.6307497954766553
Energy: 0.5503148516417281
Energy: 0.7065608009530944
Energy: 0.6209270096994919
Energy: 0.5901761019634517
Energy: 0.714931934837407
Energy: 0.6258167945692487
Energy: 0.6307587892245675
Energy: 0.712333106274131
Energy: 0.6999468134633905
Energy: 0.6306563825008945
Energy: 0.7100723440184157
Energy: 0.6950567421713991
Energy: 0.7762434530638328
Energy: 0.6208210757645406
Energy: 0.6156022335864267
Energy: 0.7080226184839489
Energy: 0.6378694095049567
Energy: 0.6318360350700394
Energy: 0.8271652785845504
Energy: 0.619095161018486
Energy: 0.6266570672905759
Energy: 0.7054019445360011
Energy: 0.6187106817004069
Energy: 0.7039105404456643
Energy: 0.8212246572464323
Energy: 0.7128789333641915
Energy: 0.6984717023896272
Energy: 0.7087219281062386
Energy: 0.7100438456559849
Energy: 0.7056637217965115
Energy: 0.5560105372626662
Energy: 0.7139963352171148
Energy: 0.6519580332846494
Energy: 0.6031826271904345
Energy: 0.7146976093744618
Energy: 0.649856162706933

minimum gb energy = 0.5498295668372601 eV
minimum distance =  2.34136045122755 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.6155427685444164
Energy: 0.686700426108374
Energy: 0.5845458781364596
Energy: 0.5307654653650908
Energy: 0.6466852936812458
Energy: 0.5650007748516052
Energy: 0.6799867891413254
Energy: 0.5464190325803807
Energy: 0.5466123282882598
Energy: 0.6171508088277624
Energy: 0.5532888231072614
Energy: 0.5248286002814838
Energy: 0.7053924062675302
Energy: 0.5036785404926641
Energy: 0.5215028146607932
Energy: 0.6172384311958591
Energy: 0.5040234937357264
Energy: 0.526030923102813
Energy: 0.616474726397637
Energy: 0.5211358503515838
Energy: 0.5253642528797848
Energy: 0.5523848390583447
Energy: 0.624743980915037
Energy: 0.5759029580633825
Energy: 0.6065112048895015
Energy: 0.5511394399931219
Energy: 0.5469419890630924
Energy: 0.6065638626986041
Energy: 0.5534741742167354
Energy: 0.5249005866101738
Energy: 0.46240791438608186
Energy: 0.5505637265826735
Energy: 0.5154918637545948
Energy: 0.49177327105162055
Energy: 0.5505430606629093
Energy: 0.5001178345016764
Energy: 0.6442854004298572
Energy: 0.5505893315723853
Energy: 0.5504760702054858
Energy: 0.5035495902859132
Energy: 0.5505747818217934
Energy: 0.5022762714115897
Energy: 0.6441207297157201
Energy: 0.4861465771880046
Energy: 0.4943743478953394
Energy: 0.5030366457262773
Energy: 0.48499855917211265
Energy: 0.4943847508162234
Energy: 0.510597863999615
Energy: 0.4941817664481756
Energy: 0.508754443318515
Energy: 0.511981839635319
Energy: 0.47239566286773693
Energy: 0.5088904374961701
Energy: 0.4934264878318743
Energy: 0.4967458171193148
Energy: 0.49666756094428655
Energy: 0.5087446092504401
Energy: 0.49672009658449456
Energy: 0.4956314503931166
Energy: 0.45898552107268936
Energy: 0.48280170194093636
Energy: 0.48647028020884614
Energy: 0.5063653917653171
Energy: 0.4827660359214908
Energy: 0.48089906479819355
Energy: 0.5598484800421568
Energy: 0.48249337187010993
Energy: 0.4825785236038768
Energy: 0.5084944093899213
Energy: 0.4825641589699226
Energy: 0.49065047483866303
Energy: 0.6209236563220653
Energy: 0.5043167364486736
Energy: 0.511070622661402
Energy: 0.6226526333929976
Energy: 0.5041672520434841
Energy: 0.5110943593469817
Energy: 0.46714614733764825
Energy: 0.48094389471970866
Energy: 0.46723667641003114
Energy: 0.4686075835533296
Energy: 0.4824949996931756
Energy: 0.46725919873749683
Energy: 0.46711322304122604
Energy: 0.4762129353082847
Energy: 0.4756268732462623
Energy: 0.4671379371984808
Energy: 0.47648381544794516
Energy: 0.47578254649194623
Energy: 0.4613375641382291
Energy: 0.46027989802837294
Energy: 0.4601403998015793
Energy: 0.4897636021878517
Energy: 0.46003100801786834
Energy: 0.47504410971914024
Energy: 0.47043894080173426
Energy: 0.4600934860827471
Energy: 0.46017776115219255
Energy: 0.5355737421767834
Energy: 0.4600972112037105
Energy: 0.4778287021486798
Energy: 0.4597605651599589
Energy: 0.5000919490374444
Energy: 0.47748000492065656
Energy: 0.4601521827895022
Energy: 0.4984890928064129
Energy: 0.47791730598347215
Energy: 0.4601237026801325
Energy: 0.543237221264029
Energy: 0.4602711900616336
Energy: 0.4609481547000804
Energy: 0.6160881121055184
Energy: 0.46014841318522987
Energy: 0.6149391682466148
Energy: 0.5014618356037647
Energy: 0.4929714445520763
Energy: 0.6166709480690387
Energy: 0.5010590906065333
Energy: 0.48261095429310547
Energy: 0.48387685125749297
Energy: 0.46725464085301577
Energy: 0.46718911702453114
Energy: 0.5595433358380475
Energy: 0.46729911400488106
Energy: 0.48248249572473717
Energy: 0.4612149972782812
Energy: 0.4673839153731925
Energy: 0.4671981610943673
Energy: 0.47800757866512145
Energy: 0.4672700950220885
Energy: 0.4782280298455461
Energy: 0.48280991496860476
Energy: 0.48019158174019144
Energy: 0.48011343384151417
Energy: 0.4826741991406688
Energy: 0.4798284140883108
Energy: 0.4796540933089653
Energy: 0.4826352394627679
Energy: 0.49012027966740307
Energy: 0.48264002448669513
Energy: 0.4840331118238276
Energy: 0.5096810345420871
Energy: 0.4825684581851942
Energy: 0.629842375454917
Energy: 0.4962546254214848
Energy: 0.50633234505219
Energy: 0.6313528316357624
Energy: 0.4959160310889653
Energy: 0.505941346423372
Energy: 0.6330929000849922
Energy: 0.5086399985306689
Energy: 0.508737190872622
Energy: 0.5065033869579246
Energy: 0.5087488914052308
Energy: 0.4938714035958746
Energy: 0.4620061927664402
Energy: 0.5086610655660981
Energy: 0.512014782582481
Energy: 0.48336227886614225
Energy: 0.5087700962094694
Energy: 0.48950452704358727
Energy: 0.5642356213740375
Energy: 0.5116512760936822
Energy: 0.5045086298927212
Energy: 0.58070402475532
Energy: 0.5113588775402137
Energy: 0.5045894703669207
Energy: 0.552427748848746
Energy: 0.5072328490032659
Energy: 0.5504742747143817
Energy: 0.553606616057072
Energy: 0.4829722493734731
Energy: 0.5505613931619494
Energy: 0.668344447919968
Energy: 0.4947157005224256
Energy: 0.507295125419802
Energy: 0.5474642450834528
Energy: 0.494259769477813
Energy: 0.5071943399688741
Energy: 0.6675001329833236
Energy: 0.5462505130001051
Energy: 0.546460805910026
Energy: 0.5527640412067839
Energy: 0.5532246898363709
Energy: 0.545956879389295
Energy: 0.4690940348368272
Energy: 0.6172285716117379
Energy: 0.536094789660151
Energy: 0.5005436421584402
Energy: 0.6171850598522179
Energy: 0.5137615686748177
Energy: 0.6145475041529823
Energy: 0.6175002367877057
Energy: 0.6173482542523215
Energy: 0.5524878232844814
Energy: 0.619618715673081
Energy: 0.5243743238871986
Energy: 0.6670399833556235
Energy: 0.5347694257096324
Energy: 0.5408282547509685
Energy: 0.552304776273853
Energy: 0.6335895216375977
Energy: 0.617908413715633
Energy: 0.7052772054545419
Energy: 0.5194720580012993
Energy: 0.5543724675657578
Energy: 0.6173126649871519
Energy: 0.5327915085955572
Energy: 0.5546314221332653
Energy: 0.6799867895764897
Energy: 0.617500534853492
Energy: 0.6174273325970906
Energy: 0.6174143056222189
Energy: 0.619796668777788
Energy: 0.5257478706868459

minimum gb energy = 0.45898552107268936 eV
minimum distance =  2.40471235737247 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.24909347474819094
Energy: 0.28125703003720326
Energy: 0.040915903385235076
Energy: 0.042301839404919404
Energy: 0.5110073172788607
Energy: 0.24927581985707906
Energy: 0.2818053215768234
Energy: 0.557909503958699
Energy: 0.6332433200627915
Energy: 0.4749889720207392
Energy: 0.4388153180137555
Energy: 0.5051642920265392
Energy: 0.7092314589523154
Energy: 0.04090309281632873
Energy: 0.04095796352976045
Energy: 0.47979120189866376
Energy: 0.040805683238192024
Energy: 0.04101920976225785
Energy: 0.6975867340648007
Energy: 0.040971684002981706
Energy: 0.04099366373761654
Energy: 0.44168977893933203
Energy: 0.04083884692482544
Energy: 0.07246963734839805
Energy: 0.07200259778095297
Energy: 0.50500387405507
Energy: 0.4820433933022814
Energy: 0.07278300279564356
Energy: 0.6120464924452004
Energy: 0.48293397809975114
Energy: 0.041522824227076476
Energy: 0.5103580569528979
Energy: 0.04104443000716932
Energy: 0.0426256325126108
Energy: 0.5160811646898061
Energy: 0.04089128751848299
Energy: 0.7176505587250173
Energy: 0.47798052682737674
Energy: 0.5039799266114621
Energy: 0.45447326481861683
Energy: 0.48554783069026636
Energy: 0.5135101622236757
Energy: 0.7207748468394914
Energy: 0.04084737630347292
Energy: 0.04093529779909053
Energy: 0.47343014648107745
Energy: 0.040831284321831016
Energy: 0.041023921774906165
Energy: 0.6750435903123182
Energy: 0.04098374380388605
Energy: 0.07283952837018626
Energy: 0.4478813563000666
Energy: 0.040988457711833015
Energy: 0.07353844873027451
Energy: 0.24921095277324637
Energy: 0.4721141356141297
Energy: 0.48266460044893666
Energy: 0.04081908003167918
Energy: 0.4824667007145965
Energy: 0.4548623711484574

minimum gb energy = 0.040805683238192024 eV
minimum distance =  2.49014805498217 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5973860823646256
Energy: 0.6095823562033594
Energy: 0.6030755354533489
Energy: 0.5647439949296581
Energy: 0.6416974566339178
Energy: 0.5289600628839877
Energy: 0.5909906135856572
Energy: 0.5792848869006628
Energy: 0.5792336846115262
Energy: 0.582234006490887
Energy: 0.5798050144634928
Energy: 0.5947947257640069
Energy: 0.614379591819915
Energy: 0.5678156382003307
Energy: 0.567533559410174
Energy: 0.5922182020279249
Energy: 0.5731456362192471
Energy: 0.5580951522056213
Energy: 0.5527087848800132
Energy: 0.5705780676631466
Energy: 0.5712092082800646
Energy: 0.5522923062021344
Energy: 0.4987734601556692
Energy: 0.6001371260099511
Energy: 0.5060065283750417
Energy: 0.5790071736837262
Energy: 0.5941888753928065
Energy: 0.5060212255890084
Energy: 0.5796948847713063
Energy: 0.5953091482806043
Energy: 0.5625448048594968
Energy: 0.5965107609379009
Energy: 0.578046854210446
Energy: 0.471004622676599
Energy: 0.5946096461436802
Energy: 0.5497413212109166
Energy: 0.5765125802811493
Energy: 0.5646488796187834
Energy: 0.5646267468816479
Energy: 0.576564611273335
Energy: 0.5190933459237086
Energy: 0.5596707547559869
Energy: 0.5523482990618616
Energy: 0.5561523174885745
Energy: 0.5559850427228098
Energy: 0.5525191517713841
Energy: 0.5331857532593662
Energy: 0.5287072451609975
Energy: 0.5836605208875877
Energy: 0.5559275698772865
Energy: 0.5855411782985713
Energy: 0.5860578199090795
Energy: 0.52579041287011
Energy: 0.5854605950299776
Energy: 0.5308407132375736
Energy: 0.513978067707697
Energy: 0.513649592061688
Energy: 0.5308727490339238
Energy: 0.5163312567201873
Energy: 0.534474324383106
Energy: 0.55659303315801
Energy: 0.5616531480675934
Energy: 0.5620333172812922
Energy: 0.508567185420989
Energy: 0.5626904711525542
Energy: 0.5381897870561481
Energy: 0.479687229604659
Energy: 0.5644717780570229
Energy: 0.5644186895072185
Energy: 0.4794974445531557
Energy: 0.562451783631937
Energy: 0.4793236329762491
Energy: 0.4810154529530315
Energy: 0.5274329694509653
Energy: 0.5427803423288906
Energy: 0.48106121506711624
Energy: 0.5273673099769065
Energy: 0.48114877536288986
Energy: 0.5540126318927094
Energy: 0.5069981368633678
Energy: 0.5422890345440805
Energy: 0.5447240375930941
Energy: 0.5073111886973869
Energy: 0.544177712548528
Energy: 0.5474745181342286
Energy: 0.4570434132465759
Energy: 0.4569539123914587
Energy: 0.5474401952956182
Energy: 0.4612519278617048
Energy: 0.45688929011486723
Energy: 0.5470504034964323
Energy: 0.5303665168219044
Energy: 0.5320360144687117
Energy: 0.5302358467056866
Energy: 0.5426852558366219
Energy: 0.5321803615537848
Energy: 0.4453660126999449
Energy: 0.5331388733648553
Energy: 0.531591018593108
Energy: 0.44533070683425524
Energy: 0.5305797534002109
Energy: 0.44563275319825923
Energy: 0.4458716604437244
Energy: 0.526716455274757
Energy: 0.5267927127858616
Energy: 0.44601327199952934
Energy: 0.5264542291186476
Energy: 0.5278832358427867
Energy: 0.5403481245261021
Energy: 0.4944900503362609
Energy: 0.5266299285780004
Energy: 0.5269079671450929
Energy: 0.4945824759892599
Energy: 0.5269750671663238
Energy: 0.5432300419684559
Energy: 0.4456620711834139
Energy: 0.445613399593595
Energy: 0.543046479607384
Energy: 0.44996211389869323
Energy: 0.4457145000268141
Energy: 0.5427894372680662
Energy: 0.5300577969816527
Energy: 0.5327603669369193
Energy: 0.5433554360905223
Energy: 0.548593843113231
Energy: 0.531800214105521
Energy: 0.4585037856297132
Energy: 0.530284437422566
Energy: 0.4958654353456934
Energy: 0.45773541712534244
Energy: 0.5479342029147414
Energy: 0.45724414648512685
Energy: 0.4566374484940252
Energy: 0.545087963073426
Energy: 0.5441691927060164
Energy: 0.4565824417877174
Energy: 0.5416455521384286
Energy: 0.5422040013428585
Energy: 0.550663382294628
Energy: 0.48112417896699644
Energy: 0.48128155032605013
Energy: 0.5339492784169952
Energy: 0.480861240683177
Energy: 0.5334264008598191
Energy: 0.5654169556104607
Energy: 0.47942482341897313
Energy: 0.47950859475807356
Energy: 0.5658278023652491
Energy: 0.4800732647211471
Energy: 0.4794300709002049
Energy: 0.5644221798781258
Energy: 0.5477692522904192
Energy: 0.547649148035517
Energy: 0.5629347261338283
Energy: 0.5281011001304058
Energy: 0.5618332295138426
Energy: 0.5163320529712861
Energy: 0.5474539945258119
Energy: 0.547384012142799
Energy: 0.5160748905411505
Energy: 0.5682594270712448
Energy: 0.5137968449353574
Energy: 0.4911489821253527
Energy: 0.5884213781009003
Energy: 0.5863088345722319
Energy: 0.4912585292863705
Energy: 0.5334585934474968
Energy: 0.5881681324738643
Energy: 0.5607562331854634
Energy: 0.5534432215824535
Energy: 0.5515318872070034
Energy: 0.4608981669493131
Energy: 0.5536936130616887
Energy: 0.5428063268759618
Energy: 0.5134680763304089
Energy: 0.5543701674419149
Energy: 0.56793231799587
Energy: 0.5134768964385813
Energy: 0.5591739735779054
Energy: 0.5649697138707686
Energy: 0.5649998953799509
Energy: 0.5632686712377285
Energy: 0.5630033802863625
Energy: 0.5650685634863805
Energy: 0.5364827182852691
Energy: 0.5627437703925369
Energy: 0.6139588386641336
Energy: 0.5632096502219683
Energy: 0.5983197796365802
Energy: 0.5985461746455142
Energy: 0.4854279979820539
Energy: 0.6171501665149663
Energy: 0.519994679025241
Energy: 0.5522974380274878
Energy: 0.5523842382381949
Energy: 0.5200670833808033
Energy: 0.5570929771589452
Energy: 0.5560232618829011

minimum gb energy = 0.44533070683425524 eV
minimum distance =  2.35640432982968 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7238315081799603
Energy: 0.7225696915039104
Energy: 0.7268166671103374
Energy: 0.6878682279693535
Energy: 0.7211996828679476
Energy: 0.7329958025651574
Energy: 0.677871538819228
Energy: 0.7116210632021741
Energy: 0.7107793281857036
Energy: 0.6982949469937695
Energy: 0.7103850328273419
Energy: 0.7222180139827213
Energy: 0.7111794438662589
Energy: 0.6859999845392771
Energy: 0.7142002065390568
Energy: 0.6949355640674554
Energy: 0.6860376412327811
Energy: 0.714471244094472
Energy: 0.6544678526343595
Energy: 0.7146612475262557
Energy: 0.7146370982055755
Energy: 0.6551739402724793
Energy: 0.6524586180493029
Energy: 0.7144889965133897
Energy: 0.6504356405690643
Energy: 0.7109021878382678
Energy: 0.7218509174908779
Energy: 0.6506619252426604
Energy: 0.7095934140050333
Energy: 0.72205593647556
Energy: 0.6813962576675444
Energy: 0.701268527633735
Energy: 0.6865963222054957
Energy: 0.5981473577862075
Energy: 0.7013423562817862
Energy: 0.686828557810612
Energy: 0.6572044106460215
Energy: 0.667009130264702
Energy: 0.6636460434641887
Energy: 0.6504554978831916
Energy: 0.6598943134010788
Energy: 0.6626141442661357
Energy: 0.6567984529080554
Energy: 0.6621519431991186
Energy: 0.668960818177109
Energy: 0.6495427875791467
Energy: 0.6624012550504511
Energy: 0.6632401720028058
Energy: 0.6808907665246298
Energy: 0.6896351187914876
Energy: 0.6931312456858346
Energy: 0.6927337806963447
Energy: 0.5969513954756964
Energy: 0.6931222764933894
Energy: 0.6857052812542211
Energy: 0.6011373182369655
Energy: 0.5972331492400282
Energy: 0.6863517371545441
Energy: 0.5988425755584802
Energy: 0.5968969889816004
Energy: 0.6838528608160688
Energy: 0.6637177040648374
Energy: 0.6696115614826427
Energy: 0.5691901141889353
Energy: 0.6700370677542308
Energy: 0.6649163375126501
Energy: 0.5679231868177665
Energy: 0.6659309046274626
Energy: 0.66573982720431
Energy: 0.5680357267849753
Energy: 0.6253332877685893
Energy: 0.5678107082848739
Energy: 0.5678938003349062
Energy: 0.6598732795942106
Energy: 0.6583358834794341
Energy: 0.5677307788844491
Energy: 0.5715815449950811
Energy: 0.567061252453325
Energy: 0.6674988607447908
Energy: 0.66007925728201
Energy: 0.6576765860889391
Energy: 0.5691063342049908
Energy: 0.668062434434832
Energy: 0.6573030822434291
Energy: 0.6678338866189774
Energy: 0.5712856619131005
Energy: 0.5687271937834988
Energy: 0.6682917614146686
Energy: 0.5690915016675997
Energy: 0.5685619551557201
Energy: 0.6683353446053458
Energy: 0.6644520181165388
Energy: 0.6662078765509135
Energy: 0.667898264003603
Energy: 0.625986297600979
Energy: 0.6642013220486568
Energy: 0.6019254881477796
Energy: 0.6589438432248687
Energy: 0.6575990752755578
Energy: 0.6027814795426191
Energy: 0.6114328242879754
Energy: 0.5968234615689189
Energy: 0.5973361490651766
Energy: 0.690562402304369
Energy: 0.6913128790822796
Energy: 0.5972661807459688
Energy: 0.6841892128420641
Energy: 0.599043379092677
Energy: 0.6668778430317758
Energy: 0.6830537076933018
Energy: 0.6713855515044324
Energy: 0.5774579417895527
Energy: 0.6829449306041288
Energy: 0.6714073992539843
Energy: 0.6570955694444469
Energy: 0.6548978584128274
Energy: 0.6672022063267807
Energy: 0.6570061689310303
Energy: 0.6543194602151001
Energy: 0.663742128552191
Energy: 0.65863063469645
Energy: 0.7033830496957242
Energy: 0.7029182722114995
Energy: 0.6586473244412914
Energy: 0.6901175560882195
Energy: 0.7027472655044504
Energy: 0.7109623332751023
Energy: 0.6693135923097775
Energy: 0.7026787768698368
Energy: 0.6941760180705884
Energy: 0.6690145168019747
Energy: 0.702948742110424
Energy: 0.6778515450632802
Energy: 0.6561603518289921
Energy: 0.6506812070825138
Energy: 0.67815423403314
Energy: 0.6554171454366648
Energy: 0.6632518049056427

minimum gb energy = 0.567061252453325 eV
minimum distance =  2.34555669107724 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.121432519085236
Energy: 0.8346337001949263
Energy: 0.8375882700103318
Energy: 0.8033576485889031
Energy: 0.7624961520890279
Energy: 0.8012645359817991
Energy: 0.7447143595590812
Energy: 0.7080049668422457
Energy: 0.7068749745637539
Energy: 0.7103047773727819
Energy: 0.7077764414062756
Energy: 0.7187170789118397
Energy: 0.7994688489486336
Energy: 0.7160703857236694
Energy: 0.7161250583954785
Energy: 0.7108953736541141
Energy: 0.6795882485383193
Energy: 0.7164518586599193
Energy: 0.7072974781110097
Energy: 0.7160368990788971
Energy: 0.716593664279305
Energy: 0.7080087359237903
Energy: 0.7033010467810823
Energy: 0.7165882234889779
Energy: 0.7070788339268591
Energy: 0.7080190458005975
Energy: 0.7192511202848122
Energy: 0.7070276699303346
Energy: 0.7079732720022913
Energy: 0.7191210657392028
Energy: 0.776779038084487
Energy: 0.6520342176250365
Energy: 0.7213278515775969
Energy: 0.6479313859454612
Energy: 0.65135020003617
Energy: 0.7521189785299783
Energy: 0.70718025602539
Energy: 0.7205787150394775
Energy: 0.7207385916506298
Energy: 0.7073502321722235
Energy: 0.72039057554498
Energy: 0.7186551692880775
Energy: 0.7085519682375832
Energy: 0.6511889954854856
Energy: 0.7548583194643126
Energy: 0.7087302072055778
Energy: 0.6550111094774723
Energy: 0.72057466043043
Energy: 0.7530721648575317
Energy: 0.7540294535779248
Energy: 0.7543994512985847
Energy: 0.7199054609663257
Energy: 0.6508865460338552
Energy: 0.7558363787603348
Energy: 0.7529721326960478
Energy: 0.655998938042419
Energy: 0.6511812450733432
Energy: 0.7544497377193242
Energy: 0.6517856971448186
Energy: 0.6510082045630586
Energy: 0.7542030134647265
Energy: 0.7393139516805651
Energy: 0.740399205748552
Energy: 0.6529576600903069
Energy: 0.7043987000198398
Energy: 0.7406193518813421
Energy: 0.650873780619924
Energy: 0.6518851784873239
Energy: 0.7383244934275562
Energy: 0.650878653479451
Energy: 0.6626410095406194
Energy: 0.6509263479982037
Energy: 0.6499383427973089
Energy: 0.7547169975472536
Energy: 0.7557135004465709
Energy: 0.6500132351761012
Energy: 0.7196771144704819
Energy: 0.6502902304813809
Energy: 0.7560639745591522
Energy: 0.7545509846888943
Energy: 0.7547033794740774
Energy: 0.6379865270972775
Energy: 0.7524894119410253
Energy: 0.7352276305002426
Energy: 0.7571335555494165
Energy: 0.7081640366637664
Energy: 0.7217879485002574
Energy: 0.7557076991752437
Energy: 0.7084352931301676
Energy: 0.7203438735086647
Energy: 0.7118707596284697
Energy: 0.7675858410374996
Energy: 0.7676582775836837
Energy: 0.7191299144001332
Energy: 0.662906638385366
Energy: 0.7230254453217331
Energy: 0.7988593392083698
Energy: 0.6637743875647762
Energy: 0.7692647635101402
Energy: 0.7115988489000201
Energy: 0.6689282335747119
Energy: 0.7692926038290512
Energy: 0.8186154977193784
Energy: 0.7068817588486934
Energy: 0.7064191262298785
Energy: 0.711736441455897
Energy: 0.7066062826921384
Energy: 0.7762289868388127
Energy: 0.7903490272921445
Energy: 0.7107368963815837
Energy: 0.6645252219994171
Energy: 0.6613564175730448
Energy: 0.7749555770892085
Energy: 0.7652742781018148
Energy: 0.7447574856009713
Energy: 0.7081079254996722
Energy: 0.7076752609743281
Energy: 0.7450785557406282
Energy: 0.7080996327969584
Energy: 0.7084034323135803
Energy: 0.8021574621576834
Energy: 0.7162475187531647
Energy: 0.7164301709992278
Energy: 0.7111883706130654
Energy: 0.7678005964990187
Energy: 0.7166237182743866
Energy: 0.7078435171865326
Energy: 0.7161021421463493
Energy: 0.7159808626491402
Energy: 0.7082172569827943
Energy: 0.6796789071717576
Energy: 0.7167502353715942
Energy: 0.7066994915290714
Energy: 0.7071629129850904
Energy: 0.7192832742437223
Energy: 0.706922567354166
Energy: 0.7070683919919398
Energy: 0.7192563811147978
Energy: 0.7121835467370742
Energy: 0.651191969255395
Energy: 0.7214530115138925
Energy: 0.6485085163986105
Energy: 0.6510654044083025
Energy: 0.7514488875766268
Energy: 0.7068450802794845
Energy: 0.7207803461331533
Energy: 0.7206403416456599
Energy: 0.7070638346918153
Energy: 0.7206906396341355
Energy: 0.7208345747943007
Energy: 0.7085261414156665
Energy: 0.7159000053352488
Energy: 0.7543933233507257
Energy: 0.7084842330522625
Energy: 0.654524202987546
Energy: 0.720357994725392
Energy: 0.7527008248781182
Energy: 0.7543324359763808
Energy: 0.7543973030163483
Energy: 0.7544783506577548
Energy: 0.7144164149870694
Energy: 0.7574789103398905
Energy: 0.7527219691694126
Energy: 0.6510752949270231
Energy: 0.6513446073030197
Energy: 0.7542083644624802
Energy: 0.6520471338810404
Energy: 0.6509946516308358
Energy: 0.7543624896673818
Energy: 0.7048602300478628
Energy: 0.7384604387210033
Energy: 0.6539643604763443
Energy: 0.7036305328142586
Energy: 0.7382145353685589
Energy: 0.6507467808553227
Energy: 0.7085729838986606
Energy: 0.7382816902285866
Energy: 0.6507680391000876
Energy: 0.6636238045140568
Energy: 0.6507860819908484
Energy: 0.6524333453965816
Energy: 0.7542723353837874
Energy: 0.708474423168925
Energy: 0.650089686767135
Energy: 0.7137398454197469
Energy: 0.6503450578422888
Energy: 0.7559403863040914
Energy: 0.7548773021537419
Energy: 0.754423135608023
Energy: 0.6380789427377672
Energy: 0.7526059185465591
Energy: 0.7355470352527267
Energy: 0.7553514068361125
Energy: 0.7077700884438005
Energy: 0.7217500013230301
Energy: 0.755661577940183
Energy: 0.7094211294485446
Energy: 0.7205158420958301
Energy: 0.7117290001426623
Energy: 0.7263658604615739
Energy: 0.7190929671908293
Energy: 0.718704727867625
Energy: 0.6631319275453439
Energy: 0.7224655660555613
Energy: 0.8005783173819926
Energy: 0.6646058223464921
Energy: 0.7696083447388893
Energy: 0.8000454410666459
Energy: 0.6333229466192045
Energy: 0.7688109126098291
Energy: 0.8174329228950078
Energy: 0.708919304409623
Energy: 0.7083656750266332
Energy: 0.710790944304388
Energy: 0.7085415915653103
Energy: 0.7186938195455139
Energy: 0.7908406690385317
Energy: 0.7108675448795816
Energy: 0.6642786172179326
Energy: 0.6615227525821118
Energy: 0.7744118487043412
Energy: 0.7651870358091675

minimum gb energy = 0.6333229466192045 eV
minimum distance =  2.35976524649604 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.0523005489117123
Energy: 0.8723940608366485
Energy: 0.872186858282941
Energy: 0.7530440390599039
Energy: 0.8474989435909078
Energy: 0.8724141111035701
Energy: 0.8097437096796485
Energy: 0.7932393505180502
Energy: 0.791039880309582
Energy: 0.8813087489004358
Energy: 0.7933661495038633
Energy: 0.7975247506986057
Energy: 0.882420542182936
Energy: 0.7961906426162169
Energy: 0.7713852685950208
Energy: 0.7913657121080452
Energy: 0.7777089298883649
Energy: 0.7888327102974235
Energy: 0.7899831514208491
Energy: 0.7682598208919682
Energy: 0.7680090578289087
Energy: 0.7902320954392729
Energy: 0.8034437038673672
Energy: 0.7909019904931284
Energy: 0.7767152612539676
Energy: 0.7907405646505455
Energy: 0.7908517652993633
Energy: 0.7768379352281602
Energy: 0.7912839971016085
Energy: 0.8066642394949876
Energy: 0.8103718000300845
Energy: 0.8125978175301476
Energy: 0.8068550199931702
Energy: 0.7955493162749891
Energy: 0.8126693205395272
Energy: 0.7692937795259976
Energy: 0.7759142165228164
Energy: 0.7949900866190733
Energy: 0.8065909710194048
Energy: 0.7759974948301734
Energy: 0.7954711823999677
Energy: 0.7964226262406222
Energy: 0.7805679916263405
Energy: 0.7968563971124165
Energy: 0.7573727933305408
Energy: 0.7815850554874061
Energy: 0.7768654481286688
Energy: 0.7762902097029495
Energy: 0.8537516059046822
Energy: 0.7986666973861508
Energy: 0.8480543839418526
Energy: 0.8324816505139869
Energy: 0.8132478268123938
Energy: 0.7981245394959887
Energy: 0.8121611865982743
Energy: 0.7811420323182632
Energy: 0.776051680915623
Energy: 0.8119183119756191
Energy: 0.7771129981533359
Energy: 0.7961280525066279
Energy: 0.7999697818005628
Energy: 0.8455515848763083
Energy: 0.7964557751825218
Energy: 0.7773059098673324
Energy: 0.7393913299704727
Energy: 0.7980730148399527
Energy: 0.9025598740853215
Energy: 0.7396061507083559
Energy: 0.7394073669598459
Energy: 0.9027570514006483
Energy: 0.7390186203777446
Energy: 0.8303825376812044
Energy: 0.8829987479924098
Energy: 0.7764825368820444
Energy: 0.7758833508257111
Energy: 0.7922654146800031
Energy: 0.7764016937559439
Energy: 0.8090001830333897
Energy: 0.738008709736934
Energy: 0.7907283934830955
Energy: 0.7399457279817706
Energy: 0.7430106293782867
Energy: 0.7907665638755138
Energy: 0.7393438856962901

minimum gb energy = 0.738008709736934 eV
minimum distance =  2.36594592044882 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.305846063390085
Energy: 1.0073187766982108
Energy: 0.9044921487760039
Energy: 0.8938788678163954
Energy: 0.940364442092041
Energy: 0.8938652181886766
Energy: 0.9756457916290228
Energy: 0.8729129807457114
Energy: 0.8723321714182783
Energy: 0.942395667364511
Energy: 0.8728001285353723
Energy: 0.8718938222210458
Energy: 1.0146783972474696
Energy: 0.8588747306901239
Energy: 0.8853347400590109
Energy: 0.8967744343073096
Energy: 0.8584320510132891
Energy: 0.8864702494813524
Energy: 0.9198886604612376
Energy: 0.8579769437158509
Energy: 0.884226117134422
Energy: 0.9199033801538808
Energy: 0.857713189393328
Energy: 0.8934327612864513
Energy: 0.9306993293175043
Energy: 0.8783268267003308
Energy: 0.8813773016608225
Energy: 0.9303275485701856
Energy: 0.8786831064282469
Energy: 0.8804747533595731
Energy: 0.9325689026071396
Energy: 0.8857068560456896
Energy: 0.8953886930634014
Energy: 0.8729273149407648
Energy: 0.8858036458065396
Energy: 0.90599539022656
Energy: 0.885274529238852
Energy: 0.8991273000748016
Energy: 0.9033302145740372
Energy: 0.8854535498027161
Energy: 0.8771447026330622
Energy: 0.8995302142314485
Energy: 0.8858312459747647
Energy: 0.9495523646644674
Energy: 0.9066449894029192
Energy: 0.879344024536786
Energy: 0.9311355213252528
Energy: 0.8814710716173637
Energy: 0.9250965104490781
Energy: 0.8988570822549987
Energy: 0.9054323748728663
Energy: 0.8697670803324521
Energy: 0.893811026714157
Energy: 0.8631425315688562
Energy: 0.8923905730931808
Energy: 0.8973650573570979
Energy: 0.9057687057746958
Energy: 0.8809513337427328
Energy: 0.9014610569987611
Energy: 0.8632696069028428
Energy: 0.8857393630390057
Energy: 0.9108829535058154
Energy: 0.9062609478530924
Energy: 0.8795440243856498
Energy: 0.8934076475152557
Energy: 0.8813522184653869
Energy: 0.8753917745083185
Energy: 0.8762399140982601
Energy: 0.9072112511581296
Energy: 0.8758824571268288
Energy: 0.8579054726501864
Energy: 0.896234798072697
Energy: 0.8718013802398795
Energy: 0.9319695808300494
Energy: 0.9302361678504701
Energy: 0.8720112463692592
Energy: 0.9318876348993593
Energy: 0.8846469975874021
Energy: 0.9049803083847807
Energy: 0.8975259081377213
Energy: 0.9030587397444585
Energy: 0.8583566871115638
Energy: 1.0147772278314668
Energy: 0.9015219838231706
Energy: 0.8594009783438981
Energy: 0.8979302974328893
Energy: 0.9035552655745369
Energy: 0.8595551519220649
Energy: 0.917226196647584
Energy: 0.8596583972583938
Energy: 0.8594239087114774
Energy: 0.9019744373123213
Energy: 0.8985571142526927
Energy: 0.8606945171503471
Energy: 0.907881845670341
Energy: 0.859861177193259
Energy: 0.8596962457974892
Energy: 0.9206915120682437
Energy: 0.9006223857004415
Energy: 0.8596745009210206
Energy: 0.8929555993785
Energy: 0.8986634220051989
Energy: 1.0652146044403772
Energy: 0.9347995315968634
Energy: 0.8903968531386312
Energy: 0.8629047775482481
Energy: 0.9547138213549353
Energy: 0.9018716409954357
Energy: 0.8948602232932582
Energy: 0.885271877866197
Energy: 0.8890234879785763
Energy: 0.8949888003611238
Energy: 0.8841743101233336
Energy: 0.8995898372047989
Energy: 0.9057960832435534
Energy: 0.8611981358238965
Energy: 0.861925469209806
Energy: 0.9058449267970586
Energy: 0.8612866755591649
Energy: 0.8969052950857359
Energy: 0.9411791646972748
Energy: 0.8608892848982101
Energy: 0.8986160518507712
Energy: 0.8904697468469877
Energy: 0.8804764306904431
Energy: 0.8922207057823563
Energy: 0.8838905762706826
Energy: 0.8915102355471797
Energy: 0.8910751984691019
Energy: 0.8701569501784449
Energy: 0.8905284037713036
Energy: 0.899201456175477
Energy: 0.8723725853911223
Energy: 0.8879843455718924
Energy: 0.9038828998222176
Energy: 0.8581578829869723
Energy: 0.9085988328089134
Energy: 0.857754351016333
Energy: 0.9406625479628061
Energy: 0.8954482893451368
Energy: 0.9351742451057689
Energy: 0.8980444324205334
Energy: 0.8951909812237696
Energy: 0.9000422025547803
Energy: 0.9402643597044139
Energy: 0.8910961715362568
Energy: 0.9020747071314995
Energy: 0.940332888499013
Energy: 0.8706008473747242
Energy: 0.891849037061435
Energy: 0.9588804900630495
Energy: 0.8954460716945937
Energy: 0.8908714816639759
Energy: 0.8951767337027099
Energy: 0.8595926825579945
Energy: 0.9002568445830396
Energy: 0.9426393440445742
Energy: 0.8588502084490105
Energy: 0.8595594348326651
Energy: 0.9067187240214049
Energy: 0.8612894131243475
Energy: 0.8600836610010651
Energy: 0.950116115876644
Energy: 0.8603236764217482
Energy: 0.8595115468723168
Energy: 0.9221460241175431
Energy: 0.8596310664487201
Energy: 0.9000228529383337
Energy: 1.0147397972459964
Energy: 0.8898182699274179
Energy: 0.8973808620020528
Energy: 1.0146566088407745
Energy: 0.8619375088445415
Energy: 0.8941261517119603
Energy: 1.0159901697918947
Energy: 0.8724594729641589
Energy: 0.8719093091838326
Energy: 0.9388406701446723
Energy: 0.8721290979656308
Energy: 0.9128589197173559
Energy: 0.8610297643651328
Energy: 0.8776147295230606
Energy: 0.8932839407805345
Energy: 0.8614098072611814
Energy: 0.8758727786368288
Energy: 0.901209894381578

minimum gb energy = 0.857713189393328 eV
minimum distance =  2.35316874783854 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.1866548344962033
Energy: 0.9051893906509301
Energy: 0.9063987076217542
Energy: 0.9056108024820149
Energy: 1.4987036776969045
Energy: 0.9063324416120168
Energy: 0.8576541877437154
Energy: 0.8803786240976169
Energy: 0.8786463527995346
Energy: 0.8859853895788415
Energy: 0.8794111887295476
Energy: 0.8784106452915907
Energy: 0.947921820588476
Energy: 0.8740293706426111
Energy: 0.8741302256390067
Energy: 0.9492737125215229
Energy: 0.8918303023578569
Energy: 0.8781331517765689
Energy: 0.8855645083171578
Energy: 0.8923704884016809
Energy: 0.877996246103574
Energy: 0.886802606316045
Energy: 0.8800306557152346
Energy: 0.8783205804242995
Energy: 0.8944916400011659
Energy: 0.8847465020865835
Energy: 0.8787001566391943
Energy: 0.8949419484128682
Energy: 0.8876805375993947
Energy: 0.878557486691034
Energy: 0.8832838360278202
Energy: 0.9097042510602752
Energy: 0.8780728307860692
Energy: 0.8963500160768981
Energy: 0.9389168615902079
Energy: 0.8780490260089721
Energy: 0.9382925173252218
Energy: 0.9124739757803448
Energy: 0.9165610698212755
Energy: 0.9389255184003693
Energy: 0.9053505150103663
Energy: 0.8890702931191199
Energy: 0.9467385874305365
Energy: 0.8904514157402091
Energy: 0.8944645166492354
Energy: 0.8777212635792053
Energy: 0.8951208179546859
Energy: 0.8779641891000723
Energy: 0.8581875051485301
Energy: 0.8862081581530982
Energy: 0.8587469296980464
Energy: 0.8578562541385777
Energy: 0.8888195274737262
Energy: 0.8583547591052674
Energy: 0.8588468619489362
Energy: 0.8862632233409093
Energy: 0.8584886096399027
Energy: 0.8578395896927159
Energy: 0.8870898276007696
Energy: 0.8582096550259067
Energy: 0.9465442982906227
Energy: 0.8915885491799521
Energy: 0.8929706414893785
Energy: 0.8777834083907202
Energy: 0.8957300269578649
Energy: 0.8779349134835379
Energy: 0.9244675953955235
Energy: 0.8924028953761334
Energy: 0.8926803853689568
Energy: 0.9247558798343627
Energy: 0.8916042665377308
Energy: 0.8782590320767247
Energy: 0.8963298152318304
Energy: 0.8808318702784843
Energy: 0.8782000082145486
Energy: 0.8969021601626868
Energy: 0.9018195651318982
Energy: 0.8775154029442055
Energy: 0.8853520442902163
Energy: 0.8878304178630052
Energy: 0.8794172307897654
Energy: 0.896284028193496
Energy: 0.9381555311279186
Energy: 0.8784859758149807
Energy: 0.8950306047103388
Energy: 0.8585939465901758
Energy: 0.878123527733539
Energy: 0.8952732579214869
Energy: 0.9156354656271787
Energy: 0.8785012767529968
Energy: 0.9493339057067041
Energy: 0.8958272914007981
Energy: 0.8576904885138739
Energy: 0.9506458632043017
Energy: 0.9027848696364011
Energy: 0.8780313714834076
Energy: 0.8574404399609247
Energy: 0.8792938562840812
Energy: 0.8789432500492363
Energy: 0.8574871221979671
Energy: 0.8976174606047077
Energy: 0.8931444442609506

minimum gb energy = 0.8574404399609247 eV
minimum distance =  2.36245848068801 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.4353733468521148
Energy: 1.2488653695744851
Energy: 1.004738213109436
Energy: 0.9297678805908111
Energy: 1.0082842790024997
Energy: 1.0033255826722087
Energy: 0.9740640027614101
Energy: 0.9139046698874354
Energy: 0.9123038667292376
Energy: 0.9374327644178815
Energy: 0.945232375826872
Energy: 0.9220600745346893
Energy: 0.9726525018522404
Energy: 0.924680380549691
Energy: 0.9117340914190213
Energy: 0.9727849352198109
Energy: 0.9198888771772109
Energy: 0.9209693355366906
Energy: 0.9267758464360504
Energy: 0.9223471012491427
Energy: 0.9203982323044795
Energy: 0.9267564773734353
Energy: 0.9255097822835748
Energy: 0.9209444589278726
Energy: 0.958455237281044
Energy: 0.9161419701756542
Energy: 0.9156117518283731
Energy: 0.9141278329231693
Energy: 0.9256516284542644
Energy: 0.9174338439852336
Energy: 0.9280803604096289
Energy: 0.9141779632377351
Energy: 0.9116727242701702
Energy: 0.9290986647903346
Energy: 0.9156518436242764
Energy: 0.9113863728737069
Energy: 0.9278025422653196
Energy: 0.9088577615048169
Energy: 0.9107602128435894
Energy: 0.9282857122349092
Energy: 0.9130786999029264
Energy: 0.9310699321696405
Energy: 0.9572825115772038
Energy: 0.9193268647857206
Energy: 0.912865264969354
Energy: 0.9454271964242229
Energy: 0.9194301635101981
Energy: 0.9119258504483958
Energy: 1.0392354501670855
Energy: 0.9243658753399155
Energy: 0.9123031845697875
Energy: 0.9188001029050551
Energy: 0.9386690245714105
Energy: 0.9099409481486125
Energy: 0.9578953731067334
Energy: 0.9121630069977381
Energy: 0.91227301155408
Energy: 0.9184564858143676
Energy: 0.928636493477088
Energy: 0.9126415942844149
Energy: 0.9567856248655516
Energy: 0.9142331679669888
Energy: 0.9115433040727529
Energy: 0.924257099682032
Energy: 0.9121491691395887
Energy: 0.9102243637908902
Energy: 0.9525333401303443
Energy: 0.9264898582755309
Energy: 0.9234523473329758
Energy: 0.9428326603392739
Energy: 0.9219273248224523
Energy: 0.9217950971719318
Energy: 1.0954116131766076
Energy: 0.9217509706500258
Energy: 0.920570896294239
Energy: 0.8976279703376587
Energy: 0.9286135710856298
Energy: 0.9097661595823826
Energy: 0.9742974040873644
Energy: 0.9224891579568905
Energy: 0.9211174738057561
Energy: 0.9278993353487236
Energy: 0.9757916790197397
Energy: 0.9205291462292794
Energy: 0.9502134257877288
Energy: 0.9120583791283701
Energy: 0.9103466023620722
Energy: 0.9509712275846265
Energy: 0.9106784255823401
Energy: 0.9190025070476388
Energy: 0.9450478295265428
Energy: 0.9115453671748214
Energy: 0.9162652479837549
Energy: 0.9536077109904293
Energy: 0.91449650934451
Energy: 0.9107041004603735
Energy: 0.9500995770844931
Energy: 0.9224461473249893
Energy: 0.9212979654912111
Energy: 0.9510258854783674
Energy: 0.9214011344562183
Energy: 0.9208811209104788
Energy: 1.0328323462211888
Energy: 0.9155931069616352
Energy: 0.9229770106070169
Energy: 0.9450610852461692
Energy: 0.9429622541452556
Energy: 0.9241968388389301
Energy: 0.9422305976600102
Energy: 0.9232745811342628
Energy: 0.9240183787194274
Energy: 0.9422007399948698
Energy: 0.9158572532486134
Energy: 0.9223924872324059
Energy: 0.9505614925749515
Energy: 0.9250353139828249
Energy: 0.9225158823499021
Energy: 0.9277109106416555
Energy: 0.9245077471586931
Energy: 0.9212834593054305
Energy: 0.9386115054676557
Energy: 0.9352406640327235
Energy: 0.9130733753357277
Energy: 0.9076787340759378
Energy: 0.9416144376610446
Energy: 0.9132628117132621

minimum gb energy = 0.8976279703376587 eV
minimum distance =  2.34825925733276 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.1660627782180981
Energy: 0.9115343769536386
Energy: 0.9095270496480996
Energy: 1.1102157418792709
Energy: 1.4095556672147347
Energy: 0.9191005580329086
Energy: 0.9341829354506462
Energy: 0.9240522104890027
Energy: 0.9264411373965606
Energy: 0.9559723106783773
Energy: 0.9249535649398851
Energy: 0.9550501392805553
Energy: 0.991291792040632
Energy: 0.9494157465962119
Energy: 0.9476024653254178
Energy: 0.9806799762083027
Energy: 0.9220625420570785
Energy: 0.8888644489598801
Energy: 0.9526859642109774
Energy: 0.944149145297991
Energy: 0.9407354732027776
Energy: 0.9534793157750037
Energy: 0.945900557314115
Energy: 0.9406337339772177
Energy: 0.9215767345459632
Energy: 0.9356627210227096
Energy: 0.8913310007344254
Energy: 0.9221128719099975
Energy: 0.9661649448441936
Energy: 0.8913710754714314
Energy: 0.9611530124542654
Energy: 0.9446290560322699
Energy: 0.9445016129934358
Energy: 0.9617772583648033
Energy: 0.9580647493539047
Energy: 0.9448975160023619
Energy: 0.9118782284277923
Energy: 0.8874590714434272
Energy: 0.9712779144226261
Energy: 0.9121020234548229
Energy: 0.8870853865404443
Energy: 0.9707617544204576
Energy: 1.0165275356654442
Energy: 0.8990309474496794
Energy: 0.9526438522323829
Energy: 0.9745028338348558
Energy: 0.8969668540514494
Energy: 0.9522515562349851
Energy: 1.0105689239615443
Energy: 0.8918617453214455
Energy: 0.8955725738782566
Energy: 0.9303658405598425
Energy: 0.9087552998658872
Energy: 0.8947909927506509
Energy: 0.9782060000375546
Energy: 0.8454352497021079
Energy: 0.8458245006307558
Energy: 0.9002813723383586
Energy: 0.8632991097858579
Energy: 0.8490295416870449
Energy: 0.967837286495852
Energy: 0.8966453934300834
Energy: 0.8992345549549017
Energy: 0.968147037648779
Energy: 0.8942256573411637
Energy: 0.89404891570317
Energy: 0.8600728780941903
Energy: 0.8443925625127501
Energy: 0.8503432226163826
Energy: 0.8610978687800606
Energy: 0.8450607189632974
Energy: 0.8497620334336211
Energy: 0.8727342828464318
Energy: 0.8503239304361707
Energy: 0.8508729564808725
Energy: 0.8733588106718456
Energy: 0.8561418224643775
Energy: 0.8520468839587181
Energy: 0.8731873074312663
Energy: 0.8443725180037063
Energy: 0.8647409595962259
Energy: 0.8628633350396365
Energy: 0.84877812666531
Energy: 0.8656693297296131
Energy: 0.8592861427617391
Energy: 0.8473760195752208
Energy: 0.8466140557437957
Energy: 0.8591668468450465
Energy: 0.8445304799524839
Energy: 0.8467895477855892
Energy: 0.9750206555873847
Energy: 0.9356279667657519
Energy: 0.934758012086123
Energy: 0.9416986428887482
Energy: 0.8929278896244974
Energy: 0.9294238541807142
Energy: 0.9309834369473935
Energy: 0.8708080316051346
Energy: 0.8676727780366685
Energy: 0.9199608973515294
Energy: 0.8696270541277262
Energy: 0.8661085821085768
Energy: 0.9705357062131172
Energy: 0.9423335377084283
Energy: 0.9426001563402828
Energy: 0.9411715027383627
Energy: 0.9502026699502201
Energy: 0.9310763348353136
Energy: 0.9606880038882183
Energy: 0.8917309330382063
Energy: 0.8904502647775252
Energy: 0.9612677436066958
Energy: 0.8921420431914653
Energy: 0.8895921679104897
Energy: 0.9827885688767881
Energy: 0.8919058552596688
Energy: 0.8903291326492004
Energy: 0.9835810972987657
Energy: 0.8934413651747537
Energy: 0.88959705227556
Energy: 1.0006213914140758
Energy: 0.9509922393332129
Energy: 0.94069338711834
Energy: 0.9509677945378049
Energy: 0.9636303286724918
Energy: 0.9410139502790231
Energy: 0.9209022695956728
Energy: 0.9597232342670062
Energy: 0.8904227886110896
Energy: 0.9219492444371036
Energy: 1.00638623786774
Energy: 0.8879550479839297
Energy: 1.0134474058997063
Energy: 0.9486283112484055
Energy: 0.9483524218150406
Energy: 0.9606334595048803
Energy: 0.9517726871297751
Energy: 0.949173619725685
Energy: 0.9142115958615248
Energy: 0.9423969680883553
Energy: 0.93945128140014
Energy: 0.9042848922421542
Energy: 0.9416191847756183
Energy: 0.9386398978630638
Energy: 0.974846543411146
Energy: 0.9283590598710932
Energy: 0.9323666186007858
Energy: 0.8988686482897114
Energy: 1.0639656857141966
Energy: 0.8986047804316217

minimum gb energy = 0.8443725180037063 eV
minimum distance =  2.34245645806095 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.367959066705943
Energy: 0.8734023757309345
Energy: 0.8724087129003435
Energy: 0.8941911035014817
Energy: 0.8840036063389674
Energy: 0.8712238763030749
Energy: 0.9677467035374625
Energy: 0.8857248391673951
Energy: 0.8920887307989936
Energy: 0.8877359361269035
Energy: 0.9004829910381936
Energy: 0.8930173301532944
Energy: 0.9212120218857863
Energy: 0.8851152888462273
Energy: 0.8842195850791718
Energy: 0.9124043311746298
Energy: 0.8843790598883446
Energy: 0.8847270059877758
Energy: 0.9190558094125305
Energy: 0.8958714809699126
Energy: 0.8957942209525713
Energy: 0.9004009656564007
Energy: 0.8956428954255549
Energy: 0.8949903696502363
Energy: 0.9021438819862506
Energy: 0.8901149786187315
Energy: 0.8885803574915468
Energy: 0.9033261780332895
Energy: 0.912609854247035
Energy: 0.9714971659675435
Energy: 0.9176739296299884
Energy: 0.8950127341655844
Energy: 0.8961252847851943
Energy: 0.9007604301139486
Energy: 0.8951665647655386
Energy: 0.8950916662431284
Energy: 0.8966909798002611
Energy: 0.8819064706749138
Energy: 0.8817873733487043
Energy: 0.8930392806902663
Energy: 0.8812363729202164
Energy: 0.881423704424263
Energy: 0.9180440721948558
Energy: 0.8872670078819067
Energy: 0.8867346401281262
Energy: 0.9104349819778434
Energy: 0.8831425981565859
Energy: 0.8891923602852805
Energy: 0.8901457471183515
Energy: 0.8867517285691218
Energy: 0.886023958551676
Energy: 0.8904345460786046
Energy: 0.891076668351319
Energy: 0.8859894678929933
Energy: 0.890611593584414
Energy: 0.88916963869132
Energy: 0.8870867922633733
Energy: 0.8845214073890045
Energy: 0.8961660555770755
Energy: 0.8873050091977234
Energy: 0.9174616487615269
Energy: 0.8778135488416395
Energy: 1.0466750478147908
Energy: 0.9103386850526353
Energy: 0.8809385407165836
Energy: 1.0440508216141102
Energy: 0.9543736867056836
Energy: 0.8894341943734566
Energy: 0.887351739198828
Energy: 0.9430678796049057
Energy: 0.8846036889177786
Energy: 0.886469690152294
Energy: 0.9195624655440198
Energy: 0.8796174751664566
Energy: 0.883869551243255
Energy: 0.8824390744412841
Energy: 0.9009980544086734
Energy: 0.8836732215227766
Energy: 0.9305378239577506
Energy: 0.9049405010390211
Energy: 0.9052876802301527
Energy: 0.8857237668263005
Energy: 0.8837249636066948
Energy: 0.8840115746361272
Energy: 0.9103257571380494
Energy: 0.8712186682743348
Energy: 0.8710044967581981
Energy: 0.8972391938940957
Energy: 0.8739805589247026
Energy: 0.8773296818466406
Energy: 0.9271914730051042
Energy: 0.8734323947939733
Energy: 0.8768501174083301
Energy: 0.9177138804440541
Energy: 0.881431514051768
Energy: 0.8760003912277105
Energy: 1.1109906080371854
Energy: 0.8859581577652194
Energy: 0.8927375313512554
Energy: 1.0423213351489409
Energy: 0.9092429283068105
Energy: 0.892853560462517
Energy: 0.9187229013229203
Energy: 0.8835723178447481
Energy: 0.87501975380651
Energy: 0.899256828361308
Energy: 0.8924953769619776
Energy: 0.874742809011244
Energy: 0.9192967881672622
Energy: 0.8830837968769266
Energy: 0.886944708813542
Energy: 0.9161020775739518
Energy: 0.8827918910890384
Energy: 0.876268440513457
Energy: 0.9129757665614616
Energy: 0.8833361410939115
Energy: 0.8880751686938837
Energy: 0.9138698430235234
Energy: 0.8830845482861739
Energy: 0.8722824705276195
Energy: 0.8814482502316534
Energy: 0.8740253394843981
Energy: 0.8733852508121253
Energy: 0.881760956249748
Energy: 0.873036524155052
Energy: 0.8737120065387384
Energy: 0.8750132380626483
Energy: 0.8727336181694513
Energy: 0.8844266757125758
Energy: 0.8740399555054446
Energy: 0.875469758657453
Energy: 0.8841119435941991
Energy: 0.9154808152064323
Energy: 0.8921340966385573
Energy: 0.893784325439618
Energy: 0.9158710951868783
Energy: 0.8917469030729628
Energy: 0.8770238173859193
Energy: 0.9153176372516144
Energy: 0.8964534438767592
Energy: 0.874219267869706
Energy: 0.9159321651540261
Energy: 0.8967080452849572
Energy: 0.8747170931997459
Energy: 0.9061379529599245
Energy: 0.8738822034956042
Energy: 0.8816904789827512
Energy: 0.8920156818128953
Energy: 0.896384412389903
Energy: 0.8822628301855023
Energy: 0.8986667219999913
Energy: 0.8857434453557479
Energy: 0.8888449313862764
Energy: 0.8909605779979084
Energy: 0.8998473189787557
Energy: 0.8860556135874968
Energy: 0.9235186560373471
Energy: 0.8835618660005903
Energy: 0.8847727660944726
Energy: 0.9124338513987192
Energy: 0.884509855824032
Energy: 0.8834690864270331
Energy: 0.9209434345963257
Energy: 0.8854573005630881
Energy: 0.8918069147557353
Energy: 0.9004900596262483
Energy: 0.8912096485842489
Energy: 0.8890930800753095
Energy: 0.9379978080330437
Energy: 0.9228105546619355
Energy: 0.9248629912402194
Energy: 0.8913945280272627
Energy: 0.9223370866395413
Energy: 0.8749707816284111

minimum gb energy = 0.8710044967581981 eV
minimum distance =  2.35150246706122 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.229074969644818
Energy: 0.8740242257597012
Energy: 0.8722233287836144
Energy: 1.1292527235606047
Energy: 0.8694841652038354
Energy: 1.1320244539378839
Energy: 0.9116460640803918
Energy: 0.8597277016025258
Energy: 0.8580498636432139
Energy: 0.8609007485990532
Energy: 0.8563993383423621
Energy: 0.8578729951084102
Energy: 0.9102620772710237
Energy: 0.8635594809453428
Energy: 0.8626995713530441
Energy: 0.8902690540150136
Energy: 0.8550902760622003
Energy: 0.8629515147084884
Energy: 0.8740630377107464
Energy: 0.8595922225824495
Energy: 0.8571826975999063
Energy: 0.8571108476160431
Energy: 0.8580933117129171
Energy: 0.8566780955565023
Energy: 0.8566592578060407
Energy: 0.8587622225268231
Energy: 0.8569373466107751
Energy: 0.8583874486761913
Energy: 0.894733390360024
Energy: 0.8657549374932726
Energy: 0.8547352473127836
Energy: 0.8597077540527636
Energy: 0.8578819331817333
Energy: 0.8554762527706752
Energy: 0.8832520786997814
Energy: 0.8574825348766022
Energy: 0.9077741516443715
Energy: 0.8518452241607943
Energy: 0.8515295470169106
Energy: 0.8669416104558684
Energy: 0.8529175184753721
Energy: 0.8583248442106619
Energy: 0.8864870027099954
Energy: 0.8536648739306181
Energy: 0.8582328273897396
Energy: 0.8710518696154216
Energy: 0.8580600733187892
Energy: 0.8579089375597602
Energy: 0.8455109627322538
Energy: 0.8624250824852238
Energy: 0.8554542026006422
Energy: 0.843845005767165
Energy: 0.8582864506977589
Energy: 0.8546845206852264
Energy: 0.8437793942001612
Energy: 0.8622935655593542
Energy: 0.8597632837695152
Energy: 0.8509396715024885
Energy: 0.8605709695293755
Energy: 0.8595747576594092
Energy: 1.019771113176975
Energy: 0.8361183754350971
Energy: 0.8373617279155771
Energy: 0.885539552121381
Energy: 0.8348090804735594
Energy: 1.1329149312582485
Energy: 0.8880521303261774
Energy: 0.8635703510018514
Energy: 0.8607742929873324
Energy: 0.8881588698654356
Energy: 0.866445000296363
Energy: 0.8602749639760487
Energy: 1.0436566679259662
Energy: 0.8591137638152738
Energy: 0.8603094360521246
Energy: 0.8502783568589861
Energy: 0.8586860521165672
Energy: 0.8532853280770694
Energy: 0.8574053761462349
Energy: 0.8598205484789411
Energy: 0.8612734293084015
Energy: 0.8459053030683381
Energy: 0.8441854691621602
Energy: 0.8610822744372907
Energy: 0.9095963552241655
Energy: 0.8547235898545427
Energy: 0.85550727106805
Energy: 0.8590164595183025
Energy: 0.8496267210346524
Energy: 0.8584291988876553
Energy: 0.9631498155266722
Energy: 0.8454454713563297
Energy: 0.8575791719687521
Energy: 0.8677925018409084
Energy: 0.8445129998023845
Energy: 0.8570972064824819
Energy: 1.2326482255712972
Energy: 0.8611406488635809
Energy: 0.8631567353866421
Energy: 0.8487820836803606
Energy: 0.85338482063741
Energy: 0.8421593264941288
Energy: 0.909684961417089
Energy: 0.8616726738731704
Energy: 0.8544614383249948
Energy: 0.878607355961203
Energy: 0.9021928932179792
Energy: 0.8621808948663157
Energy: 0.9097786352698117
Energy: 0.853739340316327
Energy: 0.8538431001875831
Energy: 0.8888577608954246
Energy: 0.8551208902770457
Energy: 0.8539718454101538
Energy: 0.8984235284193461
Energy: 0.8538051135282808
Energy: 0.8579625359664409
Energy: 0.8483129631652206
Energy: 0.8543381402307203
Energy: 0.8576136312296914
Energy: 0.8593746498273604
Energy: 0.8611682109549145
Energy: 0.8611689149828629
Energy: 0.8582502282704871
Energy: 0.8868106446224374
Energy: 0.8683092427677918
Energy: 0.8826191818286124
Energy: 0.859636500135599
Energy: 0.8577024235044086
Energy: 0.8833970780795558
Energy: 0.869156786714645
Energy: 0.8574990591247043
Energy: 0.8646728879396366
Energy: 0.8520615584478037
Energy: 0.8515129524480098
Energy: 0.8648265442686054
Energy: 0.8457910216324745
Energy: 0.8519160124693491
Energy: 0.886902706262149
Energy: 0.8567757008720188
Energy: 0.855353379651053
Energy: 0.8637394196996909
Energy: 0.8511848454945357
Energy: 0.8675848947712412
Energy: 0.8515882762583463
Energy: 0.8597046669636199
Energy: 0.8578187564239288
Energy: 0.852086585500419
Energy: 0.8588643904408304
Energy: 0.8542432262514609
Energy: 0.8452803858911855
Energy: 0.8621482509677301
Energy: 0.8599742914002744
Energy: 0.8448953995300049
Energy: 0.8688773666060933
Energy: 0.8603183743084922
Energy: 0.9017002533801911
Energy: 0.8395538554220148
Energy: 0.8416572103917712
Energy: 0.886561773657954
Energy: 0.8392521335928557
Energy: 0.8431907091159414
Energy: 0.9117545535254422
Energy: 0.8558125417203262
Energy: 0.8543599071062483
Energy: 0.9126840341291995
Energy: 0.8357735305899908
Energy: 0.860808881676812
Energy: 0.8565840152012902
Energy: 0.8729179531619864
Energy: 0.8627434382279702
Energy: 0.8400963824491807
Energy: 0.8612265847666452
Energy: 0.8581917475244671
Energy: 0.8577561569280353
Energy: 0.8585617576949528
Energy: 0.856929048001703
Energy: 0.842015973136249
Energy: 0.8535822960243385
Energy: 0.8538147231566867
Energy: 0.9123295683399172
Energy: 0.8588057153758757
Energy: 0.8598464059987725
Energy: 0.8949011739933953
Energy: 0.8512849721819027
Energy: 0.8604810663677378
Energy: 0.9101458148074622
Energy: 0.8541423069123638
Energy: 0.8545298158355341
Energy: 0.873154604426383
Energy: 0.8706464364173304
Energy: 0.8571267744278436
Energy: 0.8557673576523059
Energy: 0.8519486002925833
Energy: 0.8568705567646167
Energy: 0.8240817723638586
Energy: 0.8434385678992428
Energy: 0.8574277600589076

minimum gb energy = 0.8240817723638586 eV
minimum distance =  2.35471816014009 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015405948042139328
Energy: 0.016172530686179912
Energy: 0.015931316125858686
Energy: 0.017024418684928655
Energy: 0.7492448352307405
Energy: 0.01592199792818352
Energy: 0.016220704782137517
Energy: 0.11004228736680957
Energy: 0.10975868893063205
Energy: 0.11116304196813938
Energy: 0.11148420738441638
Energy: 0.10961102065695878
Energy: 1.0477994360606417
Energy: 0.7554363021785856
Energy: 0.7543465200070019
Energy: 0.7566068854467285
Energy: 0.757269219206721
Energy: 0.7539812834112384
Energy: 0.3997383203559234
Energy: 0.11004228736725184
Energy: 0.10975868893018977
Energy: 0.11116304196855709
Energy: 0.11148420738441638
Energy: 0.10961102065695878

minimum gb energy = 0.015405948042139328 eV
minimum distance =  2.52574800048564 Angstroms
sigma value = 1