Model name: model_name=EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.615000158548355
cohesive_energy=3.5402784227038655
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013691632835821805
Energy: 0.014582633103451969
Energy: 0.806179628302219
Energy: 0.014582633103451969
Energy: 0.014582633103451969
Energy: 0.789410589785145
Energy: 0.014582633103451969
Energy: 0.789410589785145
Energy: 0.806179628302219
Energy: 0.014582633103451969
Energy: 0.013691632835821805
Energy: 0.014582633103451969
Energy: 0.014582633103451969
Energy: 0.789410589785145
Energy: 0.014582633103451969
Energy: 0.789410589785145

minimum gb energy = 0.013691632835821805 eV
minimum distance =  2.465839751811 Angstroms
sigma value = 1


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

Energy: 0.9221902017651072
Energy: 0.9038049441088042
Energy: 0.8422329783273662
Energy: 0.9038049441088042
Energy: 0.8512969405364613
Energy: 0.8988816085940183
Energy: 0.8451257878197523
Energy: 0.8988816085940183
Energy: 0.8090493311607687
Energy: 0.8931403209196698
Energy: 0.8439884226067667
Energy: 0.8931403209204305
Energy: 0.8360807449916966
Energy: 0.9137691821626601
Energy: 0.8320826379449038
Energy: 0.9137691821611388
Energy: 0.8388674498899331
Energy: 0.9049674035181916
Energy: 0.8474715328284372
Energy: 0.9049674035181916
Energy: 0.8092426335322161
Energy: 0.8860527488000561
Energy: 0.8103134109050839
Energy: 0.8860527487985348
Energy: 0.854345025260254
Energy: 0.8929528900366327
Energy: 0.810264394273759
Energy: 0.8929528900358721
Energy: 0.7619372929796089
Energy: 0.904793476040296
Energy: 0.8080505875221771
Energy: 0.9047934760395353
Energy: 0.8332018529050377
Energy: 0.8465291284985456
Energy: 0.8455301294303361
Energy: 0.8465291284993062
Energy: 0.8067587455909975
Energy: 0.8926291163831209
Energy: 0.7555782819610903
Energy: 0.892629116382395
Energy: 0.8465565398510402
Energy: 0.8920962155365426
Energy: 0.8333291636246558
Energy: 0.8920962155350213
Energy: 0.8349526277202495
Energy: 0.9048213405950203
Energy: 0.8161531480212847
Energy: 0.9048213405942597
Energy: 0.8433923121180905
Energy: 0.8926912993907626
Energy: 0.8544692559919651
Energy: 0.8926912993900019
Energy: 0.8490862076283409
Energy: 0.9001471627317802
Energy: 0.8264597248174527
Energy: 0.9001471627310196
Energy: 0.8409078158792812
Energy: 0.9052124445445627
Energy: 0.8434579911155342
Energy: 0.9052124445453232
Energy: 0.8412026708874591
Energy: 0.9054066079098949
Energy: 0.8433542219045327
Energy: 0.9054066079091343
Energy: 0.8438993973880448
Energy: 0.8931689899318558
Energy: 0.7845518816079733
Energy: 0.8931689899318558
Energy: 0.8452821454589055
Energy: 0.8934487284803249
Energy: 0.8518077721298805
Energy: 0.8934487284803249
Energy: 0.8070600022178717
Energy: 0.9042754884109175
Energy: 0.8158692092247191
Energy: 0.9042754884109175
Energy: 0.8450721546513835
Energy: 0.8462305023945595
Energy: 0.8356563121853481
Energy: 0.8462305023937987
Energy: 0.8080309425555415
Energy: 0.8929277568567983
Energy: 0.7811003245547921
Energy: 0.8929277568583195
Energy: 0.8323991446926713
Energy: 0.9014360636028603
Energy: 0.8414321123076298
Energy: 0.9014360636028603
Energy: 0.840731983954627
Energy: 0.9052818751650454
Energy: 0.7999140136440357
Energy: 0.9052818751650454
Energy: 0.8280042648365679
Energy: 0.8942993929652474
Energy: 0.8090327694848004
Energy: 0.8942993929644867
Energy: 0.8103813581241023
Energy: 0.8858154237218911
Energy: 0.8541299705485159
Energy: 0.8858154237218911
Energy: 0.8412669116069945
Energy: 0.9050655043240681
Energy: 0.7993530212398938
Energy: 0.9050655043240681
Energy: 0.8422411081889916
Energy: 0.8990435489046313
Energy: 0.8329711959114489
Energy: 0.8990435489061526
Energy: 0.7971698943408319
Energy: 0.8927414541788175
Energy: 0.8441454691461602
Energy: 0.8927414541780568
Energy: 0.8503493447181564
Energy: 0.9039978186333556
Energy: 0.8401457994716651
Energy: 0.9039978186333556
Energy: 0.8573974049488619
Energy: 0.9040887752556386
Energy: 0.838144758449097
Energy: 0.9040887752563993
Energy: 0.8520542648817364
Energy: 0.8986480568329448
Energy: 0.8432049859765054
Energy: 0.8986480568321842
Energy: 0.8300101970540082
Energy: 0.893467159967827
Energy: 0.8490426199523966
Energy: 0.893467159967827
Energy: 0.8388109256592385
Energy: 0.9126854641159012
Energy: 0.833131326452536
Energy: 0.9126854641159012

minimum gb energy = 0.7555782819610903 eV
minimum distance =  2.28439747717808 Angstroms
sigma value = 1


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

Energy: 0.9887927766311719
Energy: 0.9671264067159486
Energy: 0.8826675795082752
Energy: 0.9671264067159486
Energy: 0.8815587041373958
Energy: 0.9423693447624025
Energy: 0.885550139134989
Energy: 0.9423693447676063
Energy: 0.8434758741847985
Energy: 0.9666793642369786
Energy: 0.8849478875984477
Energy: 0.9666793642361114
Energy: 0.8643593862497073
Energy: 0.9180654596924503
Energy: 0.8455149678010151
Energy: 0.9180654596985217
Energy: 0.8647262790183112
Energy: 0.9516030200885254
Energy: 0.8836871399560572
Energy: 0.9516030200859235
Energy: 0.899648325292973
Energy: 0.9521892005515655
Energy: 0.8754614958832346
Energy: 0.952189200547229
Energy: 0.8814020342776332
Energy: 0.9190398839755672
Energy: 0.86348027547536
Energy: 0.9190398839729654
Energy: 0.7913117437082402
Energy: 0.9671725014158029
Energy: 0.8547008680406682
Energy: 0.9671725014175375
Energy: 0.8654503602516137
Energy: 0.9008396755060055
Energy: 0.8855875721398876
Energy: 0.9008396755068727
Energy: 0.8575468799959131
Energy: 0.9674653381443215
Energy: 0.8247002488913696
Energy: 0.967465338143454
Energy: 0.8812474248331341
Energy: 0.9269926890007348
Energy: 0.8894305808622205
Energy: 0.9269926889963982
Energy: 0.8288790156545994
Energy: 0.9584500604112278
Energy: 0.8880873360722529
Energy: 0.9584500604129624
Energy: 0.9011954306758829
Energy: 0.9500331463734235
Energy: 0.8727804008190091
Energy: 0.950033146375158
Energy: 0.9009167157240638
Energy: 0.950034654984655
Energy: 0.8633143916541386
Energy: 0.9500346549829204
Energy: 0.8287457227833467
Energy: 0.9584098096936572
Energy: 0.8848224435819703
Energy: 0.9584098096945244
Energy: 0.8812558338933406
Energy: 0.9270272941812336
Energy: 0.8855554136271298
Energy: 0.9270272941786318
Energy: 0.8575433636097095
Energy: 0.9677978363752376
Energy: 0.8111776080461651
Energy: 0.9677978363726358
Energy: 0.8654335759714836
Energy: 0.9007440731872178
Energy: 0.885838006440974
Energy: 0.9007440731828813
Energy: 0.7913072416472944
Energy: 0.9674245426872444
Energy: 0.8546879065635121
Energy: 0.9674245426872444
Energy: 0.8814576830074793
Energy: 0.9188638993262568
Energy: 0.8501789174156024
Energy: 0.9188638993262568
Energy: 0.899608471472804
Energy: 0.9522425504870377
Energy: 0.8433396354446521
Energy: 0.9522425504896396
Energy: 0.8646467093059776
Energy: 0.9514510782830933
Energy: 0.8622535899477453
Energy: 0.9514510782839606
Energy: 0.864342836196971
Energy: 0.9181661991475205
Energy: 0.8456299267452524
Energy: 0.9181661991449185
Energy: 0.8436174806413616
Energy: 0.966625848617215
Energy: 0.8848564990467928
Energy: 0.9666258486224188
Energy: 0.8816437773789875
Energy: 0.9425813803290948
Energy: 0.8855644197472952
Energy: 0.9425813803299621
Energy: 0.9887927766311719
Energy: 0.9671264067159486
Energy: 0.8826675795074079
Energy: 0.9671264067159486
Energy: 0.8815587041373958
Energy: 0.9423693447632698
Energy: 0.885550139134989
Energy: 0.9423693447676063
Energy: 0.8434758741847985
Energy: 0.9666793642369786
Energy: 0.8849478875984477
Energy: 0.9666793642361114
Energy: 0.8643593862488399
Energy: 0.9180654596933178
Energy: 0.8499854036906979
Energy: 0.9180654596985217

minimum gb energy = 0.7913072416472944 eV
minimum distance =  2.27187772264304 Angstroms
sigma value = 25


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

Energy: 0.9404238618043472
Energy: 1.0165207149075457
Energy: 0.9026251026304067
Energy: 1.0165207149075457
Energy: 0.889330525897566
Energy: 0.9856730134988965
Energy: 0.9202988117987491
Energy: 0.9856730134988965
Energy: 0.8939905173938518
Energy: 1.0431332051092552
Energy: 0.919866074606519
Energy: 1.0431332051092552
Energy: 0.915321285539487
Energy: 0.9915989256339522
Energy: 0.8875871742437839
Energy: 0.9915989256349604
Energy: 0.8889447228694819
Energy: 1.0167470396667906
Energy: 0.8703166581947274
Energy: 1.0167470396667906
Energy: 0.9611768228133055
Energy: 1.0432731585627704
Energy: 0.8869675651289943
Energy: 1.0432731585627704
Energy: 0.9237580102103835
Energy: 0.922354899888914
Energy: 0.9100159046624104
Energy: 0.922354899888914
Energy: 0.9825861621743529
Energy: 1.0172065065357438
Energy: 0.847733550076081
Energy: 1.0172065065347358
Energy: 0.910407276010101
Energy: 0.9807860071626013
Energy: 0.9228712156040241
Energy: 0.9807860071626013
Energy: 0.9196040446345197
Energy: 1.043098102127024
Energy: 0.8781167852052629
Energy: 1.043098102127024
Energy: 0.8839645711101061
Energy: 1.016315092732836
Energy: 0.9192238947312888
Energy: 1.016315092732836
Energy: 0.8883877140694839
Energy: 1.016313528894954
Energy: 0.9193825053265839
Energy: 1.0163135288959622
Energy: 0.9196759760668585
Energy: 0.9926602220921439
Energy: 0.8793712500536147
Energy: 0.9926602220911356
Energy: 0.9105891892789716
Energy: 0.9197258663107163
Energy: 0.943489222820983
Energy: 0.9197258663117246
Energy: 0.8548776458257044
Energy: 1.0171000059801447
Energy: 0.8454226812445585
Energy: 1.0171000059801447
Energy: 0.9201121316740083
Energy: 0.9238437961476631
Energy: 0.8883764031245283
Energy: 0.9238437961476631
Energy: 0.8320238256390758
Energy: 1.04304129794041
Energy: 0.8316262352199204
Energy: 1.04304129794041
Energy: 0.8876439985354906
Energy: 0.9924489647548552
Energy: 0.9332627936695487
Energy: 0.9924489647558635
Energy: 0.877624253413844
Energy: 0.9911244361757018
Energy: 0.8893189937529422
Energy: 0.9911244361746936
Energy: 0.8907944626816421
Energy: 1.0430495347619018
Energy: 0.9211486855469494
Energy: 1.0430495347608935
Energy: 0.9294838309504069
Energy: 0.9766814867938849
Energy: 0.9245747232349381
Energy: 0.9766814867948932
Energy: 0.9398554463297968
Energy: 1.0166107480865432
Energy: 0.9517421895080889
Energy: 1.0166107480875515
Energy: 0.9211347132643588
Energy: 0.9857389895353985
Energy: 0.9199284817146374
Energy: 0.9857389895364068
Energy: 0.8796744312066814
Energy: 1.04335499467605
Energy: 0.9197158826474525
Energy: 1.04335499467605
Energy: 0.9197117843176361
Energy: 0.9368172918867216
Energy: 0.8871520976447956
Energy: 0.9368172918877298

minimum gb energy = 0.8316262352199204 eV
minimum distance =  2.27636597943414 Angstroms
sigma value = 9


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

Energy: 1.0004868662964257
Energy: 0.9991337862073136
Energy: 0.992955501094854
Energy: 0.9991337862073136
Energy: 0.954275384923734
Energy: 1.052899919609772
Energy: 0.9798802250656516
Energy: 1.052899919606164
Energy: 0.8826311629718181
Energy: 0.9973209226354989
Energy: 0.986883626472977
Energy: 0.9973209226354989
Energy: 0.9897937900926107
Energy: 1.0737739177584338
Energy: 0.9021487949138433
Energy: 1.0737739177560284
Energy: 1.0361003658697654
Energy: 1.0524741326152574
Energy: 0.9679590759019323
Energy: 1.0524741326140548
Energy: 0.8733488478402303
Energy: 0.9919521918608117
Energy: 0.9026435766869245
Energy: 0.9919521918584063
Energy: 0.9875969390655044
Energy: 0.9023598728812013
Energy: 0.9034799525284225
Energy: 0.9023598728824043
Energy: 0.9577382974812767
Energy: 0.9921198297007582
Energy: 0.8950383560014024
Energy: 0.9921198296983526
Energy: 0.9868140310908724
Energy: 1.0527024141234094
Energy: 0.9829266098955156
Energy: 1.052702414121004
Energy: 0.9942218457940363
Energy: 0.9992698708838209
Energy: 0.9022194204165659
Energy: 0.9992698708838209
Energy: 0.9297054889872336
Energy: 1.053530234565317
Energy: 0.9866213847819794
Energy: 1.053530234565317
Energy: 0.9896912328429514
Energy: 1.0140515469790345
Energy: 0.9022595888072303
Energy: 1.0140515469778317
Energy: 0.873312217241198
Energy: 0.9994649746224027
Energy: 0.941711440593229
Energy: 0.9994649746212001
Energy: 0.9479310234807562
Energy: 0.9918952568750325
Energy: 0.9797967738330304
Energy: 0.9918952568726545
Energy: 0.8733199993437986
Energy: 0.999540965969382
Energy: 0.9577364408342242
Energy: 0.999540965969382
Energy: 0.9897963722562383
Energy: 1.0142625051119696
Energy: 0.902203973078744
Energy: 1.0142625051107665
Energy: 0.9297364792669507
Energy: 1.053700142070516
Energy: 0.98663469547595
Energy: 1.053700142071719
Energy: 0.9942255448612598
Energy: 0.999293657717523
Energy: 0.9024621267295553
Energy: 0.9992936577199284
Energy: 0.9867530254680266
Energy: 1.0526852845241568
Energy: 0.9828936301132404
Energy: 1.052685284522954
Energy: 0.9581859585856523
Energy: 0.9921750645591514
Energy: 0.8950615405551965
Energy: 0.9921750645615568
Energy: 0.9859227458863559
Energy: 0.9024047908329329
Energy: 0.9034854183731681
Energy: 0.9024047908329329

minimum gb energy = 0.873312217241198 eV
minimum distance =  2.35750778912786 Angstroms
sigma value = 25


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

Energy: 0.9432848227952663
Energy: 1.0214400177112801
Energy: 1.0310895719797772
Energy: 1.0214400177112801
Energy: 0.9282698951995972
Energy: 1.0676539274472256
Energy: 0.9168361507339655
Energy: 1.0676539274472256
Energy: 0.9176352764572678
Energy: 1.0052036618143476
Energy: 0.916603423870392
Energy: 1.0052036618158349
Energy: 0.9439230897950962
Energy: 0.9307576325374582
Energy: 1.034553437681616
Energy: 0.9307576325359709
Energy: 1.0327227186322019
Energy: 0.9285079527274904
Energy: 0.9519667373853127
Energy: 0.9285079527274904
Energy: 0.9208969669380317
Energy: 1.0684943125462378
Energy: 0.9200053498981656
Energy: 1.0684943125447504
Energy: 0.9685419899604266
Energy: 1.0621878709864714
Energy: 0.9171273361343675
Energy: 1.0621878709849841
Energy: 1.032298975001414
Energy: 0.9180165621599881
Energy: 0.9421809856789033
Energy: 0.9180165621778371
Energy: 0.9167407214800556
Energy: 1.0638025996981901
Energy: 0.9303599490791535
Energy: 1.0638025996996774
Energy: 1.0689641879325469
Energy: 1.0046006984345903
Energy: 0.9194260737182168
Energy: 1.004600698433103
Energy: 0.9441822483349221
Energy: 1.0622420932345675
Energy: 1.136834261645753
Energy: 1.0622420932345675
Energy: 0.917124985121359
Energy: 0.9527317349344002
Energy: 1.0666763258745375
Energy: 0.9527317349373752
Energy: 1.0220427534323644
Energy: 1.0053223880937174
Energy: 0.9169812362200755
Energy: 1.0053223880922302
Energy: 0.9168928350053097
Energy: 0.9301034090766881
Energy: 0.9418259275557836
Energy: 0.9301034090752007
Energy: 0.952841904840848
Energy: 1.0526204317489938
Energy: 1.0246788939048888
Energy: 1.0526204317489938
Energy: 0.9280372734497659
Energy: 0.9834607567052746
Energy: 0.9207144655995472
Energy: 0.9834607567052746
Energy: 0.9171020619708491
Energy: 0.9996410040335436
Energy: 1.0671181572379587
Energy: 0.9996410040335436

minimum gb energy = 0.916603423870392 eV
minimum distance =  2.33888091197812 Angstroms
sigma value = 17


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

Energy: 1.0498142683270697
Energy: 1.0483942134927295
Energy: 1.1702907043502508
Energy: 1.0483942134927295
Energy: 1.056757092918541
Energy: 1.0087176063614727
Energy: 0.9454733217355689
Energy: 1.0087176063606302
Energy: 1.049756012786239
Energy: 1.0457444222816812
Energy: 0.9453528170848767
Energy: 1.0457444222816812
Energy: 0.9474443412940455
Energy: 1.0474578798222196
Energy: 1.0147007931851095
Energy: 1.0474578798213774
Energy: 1.0785999585651018
Energy: 1.012718881817988
Energy: 0.9460633107184522
Energy: 1.012718881817988
Energy: 0.9572847926085583
Energy: 0.9802364416735349
Energy: 1.04837220731916
Energy: 0.98023644167185
Energy: 0.9499958263183794
Energy: 1.0535133073399272
Energy: 0.9459024814747236
Energy: 1.0535133073399272
Energy: 1.0421409549371057
Energy: 1.0463430323330596
Energy: 0.9542150582016896
Energy: 1.0463430323330596
Energy: 0.9600986324919436
Energy: 1.0923809936373399
Energy: 1.0820716269849384
Energy: 1.0923809936381823
Energy: 1.1430410867526428
Energy: 1.018589919024999
Energy: 0.9458621953665722
Energy: 1.018589919024999
Energy: 0.9501505177485684
Energy: 0.9563059343117155
Energy: 1.0522335338161826
Energy: 0.9563059343125581
Energy: 0.9550472222641164
Energy: 1.0499305712382327
Energy: 0.9547122373511909
Energy: 1.0499305712382327
Energy: 1.068572700220023
Energy: 0.9563597886641029
Energy: 1.0443718279981742
Energy: 0.9563597886624181
Energy: 0.9454471809961734
Energy: 1.0439546761650274
Energy: 1.0590462039183652
Energy: 1.0439546761574459
Energy: 1.0269343856238047
Energy: 1.0548131575198014
Energy: 0.9587970867599478
Energy: 1.0548131575181166
Energy: 1.055903709689975
Energy: 1.0467694345285892
Energy: 1.0423240602608204
Energy: 1.0467694345302738
Energy: 0.9459753854589026
Energy: 1.0380265430108482
Energy: 1.1541207580336585
Energy: 1.0380265430100057
Energy: 1.0489345453723284
Energy: 1.0429475429416462
Energy: 0.9573260069401506
Energy: 1.0429475429424888
Energy: 0.9686304731878952
Energy: 1.058518428706563
Energy: 1.0099534616393655
Energy: 1.0585184287057203
Energy: 0.9457688161729397
Energy: 1.0469413888484653
Energy: 0.9477080814801593
Energy: 1.046941388847623
Energy: 0.9952105159054649
Energy: 1.0450955644568594
Energy: 1.049491224208251
Energy: 1.0450955644577018
Energy: 0.9459606557139585
Energy: 1.1060000725848542
Energy: 1.145462252103185
Energy: 1.1060000725848542
Energy: 1.0691495106002196
Energy: 1.049130906680474
Energy: 0.9457725839611661
Energy: 1.049130906682159
Energy: 0.9542921751999962
Energy: 1.0538491380013082
Energy: 1.0499388612137914
Energy: 1.0538491380004658
Energy: 0.954314691317835
Energy: 1.0451367590387104
Energy: 1.0637551759573072
Energy: 1.0451367590378682
Energy: 1.0737656530825357
Energy: 1.04812011333624
Energy: 0.9469388834957364
Energy: 1.0481201133353977
Energy: 0.9460729040977854
Energy: 1.0847834010431283
Energy: 1.1711347741196907
Energy: 1.0847834010439708
Energy: 1.048690886974566
Energy: 0.9868603982017098
Energy: 1.0497865742175692
Energy: 0.9868603982017098
Energy: 1.1211140057869098
Energy: 1.067263633404916
Energy: 0.950051508043317
Energy: 1.067263633404916
Energy: 0.9546853416214001
Energy: 1.0917175013262452
Energy: 1.049692411352152
Energy: 1.0917175013254028

minimum gb energy = 0.9453528170848767 eV
minimum distance =  2.25396997734577 Angstroms
sigma value = 53


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

Energy: 0.9114224829157325
Energy: 0.9101695387851656
Energy: 1.1344625214375041
Energy: 0.9101695387851656
Energy: 1.081436439913134
Energy: 0.9861180620658899
Energy: 0.9517421546020597
Energy: 0.9861180620639506
Energy: 0.911803284819791
Energy: 0.9099457367678214
Energy: 1.0608657809940871
Energy: 0.9099457367697608
Energy: 0.9119615180177097
Energy: 0.9100107336188136
Energy: 0.9898644639428948
Energy: 0.9100107336149349
Energy: 1.0814146159359694
Energy: 0.9860331970821791
Energy: 1.0082520377419057
Energy: 0.9860331970821791
Energy: 0.9114224829157325
Energy: 0.9101695387851656
Energy: 1.182783550692598
Energy: 0.9101695387871049
Energy: 1.0814364399150733
Energy: 0.9861180620658899
Energy: 0.9899360623054435
Energy: 0.9861180620639506
Energy: 0.911803284819791
Energy: 0.9099457367678214
Energy: 1.0608657809940871
Energy: 0.9099457367697608
Energy: 0.9119615180177097
Energy: 0.910010733620753
Energy: 1.050338204770373
Energy: 0.9100107336168742
Energy: 1.0814146159359694
Energy: 0.9860331970841185
Energy: 1.0641158508323756
Energy: 0.9860331970821791
Energy: 0.9114224829157325
Energy: 0.9101695387851656
Energy: 1.1827835499404806
Energy: 0.9101695387851656
Energy: 1.081436439913134
Energy: 0.9861180620658899
Energy: 1.05067655596171
Energy: 0.9861180620639506
Energy: 0.911803284819791
Energy: 0.9099457367678214
Energy: 1.0608657809960265
Energy: 0.9099457367697608

minimum gb energy = 0.9099457367678214 eV
minimum distance =  2.31943256345868 Angstroms
sigma value = 9


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

Energy: 1.0011968160243399
Energy: 1.1381458389579302
Energy: 1.2430959836904616
Energy: 1.138145838958648
Energy: 1.1078529021733656
Energy: 1.0388150014139943
Energy: 0.9997977891806119
Energy: 1.0388150014139943
Energy: 0.978476073105247
Energy: 0.9903568130885478
Energy: 0.9962394015046804
Energy: 0.9903568130892657
Energy: 1.0745392137095906
Energy: 1.1521669368641836
Energy: 0.9989689634460115
Energy: 1.1521669368649012
Energy: 1.101345617678855
Energy: 1.0430848090641394
Energy: 0.9931949738629795
Energy: 1.043084809065575
Energy: 0.9911270876062567
Energy: 0.9895268674878828
Energy: 1.070979385605861
Energy: 0.9895268674871649
Energy: 1.2490373293712067
Energy: 1.0393700803542607
Energy: 0.9960156892376937
Energy: 1.0393700803549786
Energy: 0.9847207260523061
Energy: 1.156914787281679
Energy: 1.0869179615650084
Energy: 1.156914787281679
Energy: 0.9805871234442953
Energy: 1.1575313590648646
Energy: 0.9985376214314389
Energy: 1.1575313590655822
Energy: 0.979935684814712
Energy: 1.0351437111364061
Energy: 0.9891644840144865
Energy: 1.0351437111364061
Energy: 0.9862651539663349
Energy: 1.145122042995899
Energy: 1.2257005910508032
Energy: 1.1451220429973346
Energy: 1.1001434080567187
Energy: 1.1196135485312886
Energy: 0.9838269539863855
Energy: 1.1196135485320065
Energy: 0.9806446196020003
Energy: 1.0635821072122078
Energy: 1.164764306068589
Energy: 1.0635821072136435
Energy: 1.0779171772613867
Energy: 1.0874019556496903
Energy: 1.0058044717228036
Energy: 1.0874019556496903
Energy: 0.9871329694992591
Energy: 1.1081037675158274
Energy: 1.085513611016626
Energy: 1.1081037675158274
Energy: 0.9843055676857413
Energy: 1.156113173248528
Energy: 1.0759023976968285
Energy: 1.156113173248528
Energy: 1.0409980751395254
Energy: 1.108169176000918
Energy: 0.9870962141323649
Energy: 1.1081691760023535
Energy: 0.9893350275133521
Energy: 1.0394006691526263
Energy: 1.0997690464303305
Energy: 1.0394006691526263
Energy: 1.10333555758285
Energy: 1.0648939659605856
Energy: 0.9924982156971845
Energy: 1.0648939659605856
Energy: 0.9840950001323902
Energy: 1.0456351809793545
Energy: 1.0519268794630672
Energy: 1.0456351809793545
Energy: 1.0817175643560426
Energy: 1.1441988533659688
Energy: 1.0758790681498762
Energy: 1.1441988533659688
Energy: 1.0583341313546615
Energy: 1.0919500593932157
Energy: 0.9797165742591827
Energy: 1.0919500593946512
Energy: 0.9983984562598155
Energy: 1.1145876857333987
Energy: 0.9806051559920853
Energy: 1.1145876857333987
Energy: 1.2507409553058542
Energy: 1.0467798140671436
Energy: 0.9842520088535014
Energy: 1.0467798140664255
Energy: 0.996912133073029
Energy: 1.1322412279785106
Energy: 1.18497274757876
Energy: 1.1322412279777925
Energy: 1.0345616078744788
Energy: 0.9900406748497487
Energy: 0.9792115656772217
Energy: 0.9900406748490309
Energy: 1.0452949029372973
Energy: 1.1114171518807383
Energy: 1.0739860955472393
Energy: 1.1114171518807383
Energy: 1.0109408638068362
Energy: 1.1480936079203259
Energy: 1.07471952332836
Energy: 1.1480936079188904
Energy: 1.0361026323388267
Energy: 0.9897751183698288
Energy: 0.978336054874291
Energy: 0.9897751183712643
Energy: 0.9991560498566296
Energy: 1.1310702531593924
Energy: 1.1838877209281926
Energy: 1.1310702531579568
Energy: 1.1855950634754937
Energy: 1.0583782795177559
Energy: 0.983480290809402
Energy: 1.058378279517038
Energy: 1.0001743667324563
Energy: 1.041084210602024
Energy: 0.979217247974881
Energy: 1.041084210601306
Energy: 0.9990957314507376
Energy: 1.0909512688129663
Energy: 0.9788460163101416
Energy: 1.0909512688136842
Energy: 1.080794302792645
Energy: 1.1472941736586364
Energy: 1.0740624528757952
Energy: 1.1472941736600721
Energy: 0.9928412463436068
Energy: 1.1351645591090347
Energy: 1.2491485778184495
Energy: 1.1351645591090347

minimum gb energy = 0.978336054874291 eV
minimum distance =  2.28148482137206 Angstroms
sigma value = 73


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

Energy: 1.0678360529506545
Energy: 1.064545380967866
Energy: 1.1431318012730687
Energy: 1.0645453809690049
Energy: 1.0548863431539885
Energy: 1.079270904902562
Energy: 1.0002249857254792
Energy: 1.079270904901423
Energy: 0.9892415022970874
Energy: 0.995919123385211
Energy: 0.9949967316847517
Energy: 0.9959191233886275
Energy: 0.9776221514550321
Energy: 1.135091729500505
Energy: 1.0073509219370682
Energy: 1.135091729500505
Energy: 1.0309833259337162
Energy: 1.0743662039486226
Energy: 0.9950623424541286
Energy: 1.0743662039486226
Energy: 1.0013475515476444
Energy: 0.9918033931119612
Energy: 1.1391084305734647
Energy: 0.9918033931131
Energy: 1.2394725113680345
Energy: 1.1280016118775844
Energy: 0.9936658511361963
Energy: 1.128001611875307
Energy: 0.9850120511742142
Energy: 0.994205595197211
Energy: 1.1627802686307456
Energy: 0.9942055951994886
Energy: 1.1963376967111288
Energy: 0.9960233202939077
Energy: 0.9997806518558462
Energy: 0.9960233202927689
Energy: 0.9914094247546494
Energy: 1.0616768168290465
Energy: 0.9916608301371418
Energy: 1.0616768168301853
Energy: 0.9871254233420448
Energy: 0.9955411959969105
Energy: 1.1441105275943513
Energy: 0.9955411959969105
Energy: 1.1067498713768065
Energy: 1.0024041486562194
Energy: 0.9779828230749144
Energy: 1.0024041486550805
Energy: 1.004230960434381
Energy: 1.0609020341147049
Energy: 1.16748985211912
Energy: 1.0609020341135662
Energy: 1.176428736989724
Energy: 1.122752080155097
Energy: 1.0037525068149136
Energy: 1.1227520801562358
Energy: 0.9760590909656932
Energy: 1.1422624055829953
Energy: 1.152222209316946
Energy: 1.1422624055829953
Energy: 1.143496420451343
Energy: 0.9948941063073921
Energy: 0.985131550415489
Energy: 0.9948941063085309
Energy: 1.0561565716760228
Energy: 1.0571885123613083
Energy: 0.9895426093524388
Energy: 1.0571885123624212
Energy: 1.0578719980251396
Energy: 1.1403020090256164
Energy: 0.9901850714055142
Energy: 1.1403020090256164
Energy: 1.0956120541124605
Energy: 0.9946557948576703
Energy: 0.9833965257831692
Energy: 0.9946557948610869
Energy: 1.0006626597861572
Energy: 1.077904422659623
Energy: 1.192039081079212
Energy: 1.0779044226584844
Energy: 1.1615357841509943
Energy: 0.9929324812055865
Energy: 1.0009324463469118
Energy: 0.9929324812078643
Energy: 1.0073810284980782
Energy: 1.0755691122054651
Energy: 1.0614012117418206
Energy: 1.0755691122077427

minimum gb energy = 0.9760590909656932 eV
minimum distance =  2.28486255337207 Angstroms
sigma value = 7


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

Energy: 1.0214018587061346
Energy: 1.0196208892793275
Energy: 1.251665428928498
Energy: 1.019620889280938
Energy: 1.2135734261048297
Energy: 1.0619760838520957
Energy: 1.0016809865062382
Energy: 1.0619760838472638
Energy: 0.9911645883212804
Energy: 1.0195694001723485
Energy: 1.0097801611010695
Energy: 1.0195694001747644
Energy: 1.0099864858812466
Energy: 1.0801575961499308
Energy: 1.0016529311808016
Energy: 1.0801575961499308
Energy: 0.9918188409844688
Energy: 1.060779703113432
Energy: 1.0120262574188572
Energy: 1.060779703113432
Energy: 0.990792875576885
Energy: 1.0210055351657608
Energy: 1.1796579074401132
Energy: 1.0210055351649554
Energy: 1.11254293633449
Energy: 1.1042094767219381
Energy: 1.0116270281301878
Energy: 1.1042094767259645
Energy: 0.9907407237944886
Energy: 1.0203081117031532
Energy: 1.2078508066723832
Energy: 1.0203081117055688
Energy: 1.1217162784165597
Energy: 1.0685052164491755
Energy: 1.0008354328192155
Energy: 1.0685052164483702
Energy: 0.9917889666836001
Energy: 1.081535482017621
Energy: 1.097645879563588
Energy: 1.081535482024063
Energy: 1.0152547120236382
Energy: 1.1562158452289168
Energy: 1.0127921589985573
Energy: 1.1562158452321383
Energy: 1.025716333765434
Energy: 1.0610644130501212
Energy: 1.0118032298285964
Energy: 1.0610644130469
Energy: 1.024870604613951
Energy: 1.022335099177565
Energy: 1.0131786468757902
Energy: 1.0223350991759546
Energy: 1.0149517003340243
Energy: 1.0141183050053386
Energy: 1.0106278187059727
Energy: 1.014118305006144
Energy: 0.991781888485504
Energy: 1.1571468061062196
Energy: 1.116716233031882
Energy: 1.157146806107025
Energy: 1.2595026424317775
Energy: 1.013216463210808
Energy: 1.0006322700253611
Energy: 1.0132164632156395
Energy: 0.9914590615446451
Energy: 1.0618569713687303
Energy: 1.0452800751209723
Energy: 1.061856971365509
Energy: 1.007882616208781
Energy: 1.1467071560763422
Energy: 1.0112702589380431
Energy: 1.1467071560787578
Energy: 0.9919237815116303
Energy: 1.0214719424560623
Energy: 1.0129982274038838
Energy: 1.0214719424592835
Energy: 0.9920460722250074
Energy: 1.0612406975161375
Energy: 1.0118209026034415
Energy: 1.0612406975161375
Energy: 1.0151584009540084
Energy: 1.157014101851218
Energy: 1.0008817309064446
Energy: 1.1570141018560498
Energy: 0.9912255861086481
Energy: 1.0197519386224017
Energy: 1.0994496435072543
Energy: 1.019751938624012
Energy: 1.1956257237896795
Energy: 1.0684083681511338
Energy: 1.01101425496117
Energy: 1.0684083681503285
Energy: 1.0223766402325696
Energy: 1.0202980562777735
Energy: 1.1790323797073425
Energy: 1.0202980562801893
Energy: 1.0223198234441544
Energy: 1.0616762502222878
Energy: 1.0078906756914812
Energy: 1.0616762502182615
Energy: 1.0101062161183105
Energy: 1.0200111793972106
Energy: 1.0160617908442373
Energy: 1.0200111794020426
Energy: 0.9918080432154526
Energy: 1.0808087989115656
Energy: 1.007999365728432
Energy: 1.0808087989091495
Energy: 1.0099962823224324
Energy: 1.061512310451106
Energy: 1.001403101120037
Energy: 1.061512310453522
Energy: 0.9900150170606477
Energy: 1.0203353523696885
Energy: 1.0912161183191704
Energy: 1.0203353523696885
Energy: 1.0209424522872266
Energy: 1.016227534543689
Energy: 1.0018082052192856
Energy: 1.016227534543689
Energy: 0.9900532043010482
Energy: 1.0201818555829887
Energy: 1.1618928596461464
Energy: 1.0201818555821833

minimum gb energy = 0.9900150170606477 eV
minimum distance =  2.2697541582634 Angstroms
sigma value = 29


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

Energy: 0.9815805371710885
Energy: 0.9629305500439775
Energy: 0.9749981443742138
Energy: 0.9629305500434165
Energy: 0.9490537594523185
Energy: 0.9828658168583396
Energy: 0.9648925749887274
Energy: 0.9828658168594617
Energy: 0.9609749825613846
Energy: 1.0373059736523031
Energy: 1.0651473599705528
Energy: 1.0373059736528643
Energy: 0.9828537138663291
Energy: 0.9490897058140468
Energy: 0.9642774642088696
Energy: 0.949089705813486
Energy: 0.9820565418411306
Energy: 1.0104802516842213
Energy: 1.073536827465629
Energy: 1.0104802516839717
Energy: 0.9642283561697255
Energy: 1.0315934429827858
Energy: 0.9639997860202899
Energy: 1.0315934429830662
Energy: 0.9522684621637908
Energy: 1.0103147074177574
Energy: 0.9820384431047939
Energy: 1.0103147074171963
Energy: 0.9643220562093502
Energy: 0.9487246609219688
Energy: 0.9829554204995311
Energy: 0.9487246609214389
Energy: 1.0652691899581679
Energy: 1.0307918987750522
Energy: 0.9780310039790523
Energy: 1.0307918987750522

minimum gb energy = 0.9487246609214389 eV
minimum distance =  2.31199887097235 Angstroms
sigma value = 5


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

Energy: 0.9386258316701952
Energy: 0.9557539334284126
Energy: 1.0943614163760793
Energy: 0.9557539334268914
Energy: 1.074313602485825
Energy: 0.9716670276438295
Energy: 0.9055260626619955
Energy: 0.9716670276430688
Energy: 0.9120774692391911
Energy: 0.9471282805361687
Energy: 1.0778163996934302
Energy: 0.9471282805369295
Energy: 0.9038558328860801
Energy: 0.990315653514577
Energy: 0.9164145722952274
Energy: 0.9903156535153377
Energy: 0.9234159942435802
Energy: 0.9957388749505953
Energy: 1.0988783685854657
Energy: 0.9957388749521168
Energy: 0.94731959136755
Energy: 0.9585234772818244
Energy: 0.904771772318635
Energy: 0.9585234772810637
Energy: 0.9116072250897206
Energy: 0.9957940720583174
Energy: 0.919053747218495
Energy: 0.9957940720583174
Energy: 0.9085349686188974
Energy: 0.95964399094652
Energy: 0.9139802458440054
Energy: 0.9596439909472807
Energy: 0.9231622969667962
Energy: 0.9957130055318002
Energy: 0.9243407644425023
Energy: 0.9957130055310396
Energy: 0.919928387669291
Energy: 0.9959197799205677
Energy: 0.9047241863360327
Energy: 0.9959197799213283
Energy: 0.9268896234179187
Energy: 0.959224199461349
Energy: 0.9125600721060649
Energy: 0.959224199461349
Energy: 0.9128392779190986
Energy: 1.0083394512540418
Energy: 0.9688477181747303
Energy: 1.0083394512548027
Energy: 0.9474966648643166
Energy: 0.9566721057838333
Energy: 0.9591313248055959
Energy: 0.956672105784594
Energy: 0.9239154044693348
Energy: 0.9570468940880876
Energy: 0.9398880650154003
Energy: 0.9570468940880876
Energy: 1.096530959913304
Energy: 0.9916442671513312
Energy: 0.9125841985018541
Energy: 0.9916442671528526
Energy: 0.9185916335186538
Energy: 0.9469635925018288
Energy: 0.9276395993892519
Energy: 0.9469635925018288
Energy: 1.0522544311607211
Energy: 1.0104547453508776
Energy: 0.9131419754061753
Energy: 1.0104547453508776
Energy: 0.9244866626897114
Energy: 0.9566472964777969
Energy: 1.005364212149351
Energy: 0.9566472964777969
Energy: 0.9113114744741813
Energy: 0.9970702372577404
Energy: 0.9060455904883075
Energy: 0.9970702372585012
Energy: 0.9120672759350699
Energy: 0.9899115366069227
Energy: 0.9415655138969888
Energy: 0.9899115366061619
Energy: 0.9028367491353421
Energy: 0.9909041899307234
Energy: 0.917742137284369
Energy: 0.9909041899299628
Energy: 0.9236069183001128
Energy: 0.9960643310447471
Energy: 0.9271225136261625
Energy: 0.9960643310447471
Energy: 0.9053377820272372
Energy: 0.9581590377590858
Energy: 0.9024160640191896
Energy: 0.9581590377590858
Energy: 0.9554984381301519
Energy: 0.9568668061907646
Energy: 0.9124399549550878
Energy: 0.9568668061900039
Energy: 0.9655819923710751
Energy: 0.9463436013857138
Energy: 0.9062044132852125
Energy: 0.9463436013857138
Energy: 0.9457575120424422
Energy: 0.9573934263460467
Energy: 0.9231153322988522
Energy: 0.9573934263460467
Energy: 0.9085305684853712
Energy: 0.9827398338710893
Energy: 0.9325574430489202
Energy: 0.9827398338710893
Energy: 0.954340724976537
Energy: 0.9967172320616803
Energy: 0.9186045208961255
Energy: 0.9967172320624409
Energy: 0.912759693567937
Energy: 0.9729267202492805
Energy: 1.0856012513018134
Energy: 0.9729267202492805
Energy: 1.0259026581957902
Energy: 0.9562159368397306
Energy: 0.9244096810509472
Energy: 0.9562159368389699
Energy: 0.911769237035973
Energy: 0.9306378307291207
Energy: 1.0248720137267815
Energy: 0.9306378307283599
Energy: 1.0530128949760367
Energy: 0.9718852023157198
Energy: 0.9122732028296009
Energy: 0.9718852023157198
Energy: 0.9172134557573292
Energy: 0.9915820352211343
Energy: 0.904224995308008
Energy: 0.9915820352211343

minimum gb energy = 0.9024160640191896 eV
minimum distance =  2.28326925784516 Angstroms
sigma value = 1


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

Energy: 0.9134038172199425
Energy: 0.9119484772516459
Energy: 1.0553283699559401
Energy: 0.9119484772495424
Energy: 0.908010878355167
Energy: 0.9245153711246464
Energy: 0.8692890266108154
Energy: 0.9245153711235947
Energy: 0.8564621016143934
Energy: 0.9123058738018235
Energy: 1.033230925817203
Energy: 0.91230587379972
Energy: 0.8817703764500496
Energy: 0.9652797326394382
Energy: 0.8686759557100401
Energy: 0.9652797326404899
Energy: 0.8558841528196285
Energy: 0.9975850940735975
Energy: 1.0802959184679197
Energy: 0.9975850940767526
Energy: 0.8550938388757034
Energy: 0.915923656893086
Energy: 0.869265999515224
Energy: 0.915923656893086
Energy: 0.8558973338687342
Energy: 0.9970368576307838
Energy: 0.9027705462875074
Energy: 0.9970368576318356
Energy: 0.8561332516114066
Energy: 0.9156660632630308
Energy: 0.9212766439777164
Energy: 0.915666063266186
Energy: 0.9113809157823044
Energy: 0.9078065788913362
Energy: 0.9054605771940188
Energy: 0.9078065788923879
Energy: 0.9114913517295181
Energy: 0.9078377542348264
Energy: 0.9015445935906561
Energy: 0.9078377542348264
Energy: 0.8560061273439186
Energy: 0.9157140002810323
Energy: 0.9212233656976138
Energy: 0.9157140002810323
Energy: 0.8559158667528168
Energy: 0.9969724477704626
Energy: 0.8875382115814233
Energy: 0.9969724477704626
Energy: 0.8556862410605841
Energy: 0.9158656768755689
Energy: 0.8692472498348731
Energy: 0.9158656768766206
Energy: 0.8558933584793882
Energy: 0.9974925644325338
Energy: 1.0313732091503445
Energy: 0.9974925644304302
Energy: 0.8818278849001072
Energy: 0.9653465536713832
Energy: 0.8686601609139835
Energy: 0.9653465536703315
Energy: 0.8562972020187761
Energy: 0.912282097290577
Energy: 0.9400690440965812
Energy: 0.9122820972895251
Energy: 0.9078990676296305
Energy: 0.9245993393835557
Energy: 0.8692331094146567
Energy: 0.9245993393835557
Energy: 0.9134038172199425
Energy: 0.9119484772516459
Energy: 1.061624166588894
Energy: 0.9119484772495424
Energy: 0.9080108783530635
Energy: 0.9245153711246464
Energy: 0.8692890266108154
Energy: 0.9245153711246464
Energy: 0.8564621016143934
Energy: 0.9123058738018235
Energy: 1.2013781016709606
Energy: 0.91230587379972
Energy: 0.8817703764489979
Energy: 0.9652797326394382
Energy: 0.8686759557100401
Energy: 0.9652797326415418
Energy: 0.8558841528196285
Energy: 0.9975850940735975
Energy: 1.0596197455524148
Energy: 0.9975850940767526
Energy: 0.8550938388757034
Energy: 0.915923656893086
Energy: 0.869265999515224
Energy: 0.9159236568920341
Energy: 0.8558973338697861
Energy: 0.9970368576307838
Energy: 0.8851540807442863
Energy: 0.9970368576318356

minimum gb energy = 0.8550938388757034 eV
minimum distance =  2.29402642790416 Angstroms
sigma value = 17


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

Energy: 0.9002506886936351
Energy: 0.8986102769836668
Energy: 1.0601856783604686
Energy: 0.8986102769836668
Energy: 1.0001155668657213
Energy: 0.8865032192635421
Energy: 0.8595309142816776
Energy: 0.8865032192622421
Energy: 0.8639041144109657
Energy: 0.8876262645771525
Energy: 1.085901246413773
Energy: 0.8876262645784528
Energy: 0.8949523571789352
Energy: 0.8574500479418519
Energy: 0.8587411553029058
Energy: 0.8574500479418519
Energy: 0.8563998413760222
Energy: 0.9540236804281923
Energy: 0.8860579062266632
Energy: 0.9540236804288423
Energy: 0.8519816370785458
Energy: 0.8764862551217224
Energy: 0.8729168992503606
Energy: 0.8764862551217224
Energy: 0.8676375733351415
Energy: 0.9385372296191739
Energy: 0.8978745350812353
Energy: 0.9385372296191739
Energy: 0.8535425196048824
Energy: 0.9299394342789081
Energy: 0.851738536244049
Energy: 0.929939434321754
Energy: 0.9008978090275266
Energy: 0.9237307901362221
Energy: 0.8982850274387407
Energy: 0.9237307901388223
Energy: 0.8980193829609745
Energy: 0.9262311288933681
Energy: 0.8666457381041143
Energy: 0.9262311288959684
Energy: 0.8636633571511041
Energy: 0.9083133393126478
Energy: 0.8518450858694075
Energy: 0.9083133393119978
Energy: 0.8668876998300793
Energy: 0.9314347535217257
Energy: 0.8591798482471562
Energy: 0.9314347535230258
Energy: 0.8500626689755801
Energy: 0.9183822910327281
Energy: 0.8592340382312527
Energy: 0.9183822910327281
Energy: 0.8567908664208735
Energy: 0.9529902606324892
Energy: 0.9162886101423843
Energy: 0.952990260631839
Energy: 0.8523098536557958
Energy: 0.867160082689638
Energy: 0.9064584420866917
Energy: 0.8671600826909381
Energy: 0.8637986361984888
Energy: 0.8888889626892441
Energy: 1.0196948933335452
Energy: 0.8888889626905443
Energy: 0.8706640167238024
Energy: 0.8689959416800551
Energy: 0.8590400822742313
Energy: 0.8689959416768048
Energy: 0.8594261012365566
Energy: 0.89939506534976
Energy: 0.8672827007853614
Energy: 0.8993950653478097
Energy: 0.9919950722346436
Energy: 0.932930799485299
Energy: 0.8658932415035281
Energy: 0.9329307994859491
Energy: 0.8727629467179974
Energy: 0.8876918314524463
Energy: 0.8972512424042719
Energy: 0.8876918314524463
Energy: 0.8632623880614675
Energy: 0.8783600884609111
Energy: 0.8598248693726219
Energy: 0.8783600884628612
Energy: 0.8598670048503193
Energy: 0.900078900117997
Energy: 1.015536378482482
Energy: 0.9000789001199472
Energy: 0.883274819468775
Energy: 0.8694509706491229
Energy: 0.8737127188606856
Energy: 0.8694509706510731
Energy: 0.8641785940737962
Energy: 0.9400031695619265
Energy: 1.0168294748770759
Energy: 0.9400031695632266
Energy: 0.881835278955992
Energy: 0.9000130690758432
Energy: 0.8595623811042682
Energy: 0.900013069074543
Energy: 0.8589411510333371
Energy: 0.9549139691572516
Energy: 0.8707315637110259
Energy: 0.9549139691579016
Energy: 1.0118680249134393
Energy: 0.9187350625934124
Energy: 0.8648381652043263
Energy: 0.9187350625927623
Energy: 0.9098015078299246
Energy: 1.0372065205379286
Energy: 0.8520813276968201
Energy: 1.0372065205990355
Energy: 0.9129358878881213
Energy: 0.952516656494982
Energy: 0.8578225953057818
Energy: 0.9525166564930317
Energy: 0.8590493337515908
Energy: 0.9174820891840663
Energy: 0.8826036373046636
Energy: 0.9174820891860164
Energy: 0.8624213682824567
Energy: 0.9528929937560439
Energy: 0.8717372989188531
Energy: 0.9528929937553937
Energy: 0.8515293106864865
Energy: 0.9041183263411181
Energy: 0.861197710073969
Energy: 0.904118326339818
Energy: 0.8649525742772166
Energy: 0.9259040164245694
Energy: 1.037065007802427
Energy: 0.92590401642847
Energy: 0.8974379076164015
Energy: 1.0532618729452217
Energy: 0.8743764606269953
Energy: 1.0532618729458718
Energy: 0.8571732077015932
Energy: 0.9001909047850836
Energy: 0.8896637084581543
Energy: 0.9001909047850836
Energy: 0.9068222916816001
Energy: 0.9396551057044802
Energy: 0.8658033883896552
Energy: 0.9396551057031801
Energy: 0.8736998021457836
Energy: 0.8710800110031522
Energy: 0.8522720782869274
Energy: 0.8710800110038022
Energy: 0.868882420629913
Energy: 0.9550675292168436
Energy: 0.8602162464176673
Energy: 0.9550675292142433

minimum gb energy = 0.8500626689755801 eV
minimum distance =  2.28165840996948 Angstroms
sigma value = 89


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

Energy: 0.7925061700512782
Energy: 0.7918481116152176
Energy: 0.9879515141473648
Energy: 0.7918481116152176
Energy: 0.7945637006289461
Energy: 0.8197207335593455
Energy: 0.8008841338679039
Energy: 0.8197207335576446
Energy: 0.7996684384339222
Energy: 0.9355869903007663
Energy: 1.3331265299392998
Energy: 0.9355869903007663
Energy: 0.7838124503600078
Energy: 0.8196499662277122
Energy: 0.8009391604293445
Energy: 0.8196499662277122
Energy: 0.7929067781799374
Energy: 0.8706901515033516
Energy: 0.79487894055354
Energy: 0.8706901515033516
Energy: 0.7940823066912537
Energy: 0.793379320001101
Energy: 0.7961803640756461
Energy: 0.793379320001101
Energy: 0.8000360970576207
Energy: 0.9356576632931899
Energy: 0.8020648826943486
Energy: 0.9356576632914889
Energy: 0.7899381665969509
Energy: 0.9350414293647171
Energy: 0.8010609945576891
Energy: 0.9350414293647171
Energy: 0.7932324635785665
Energy: 0.8713153544641308
Energy: 0.7853729838060796
Energy: 0.8713153544641308
Energy: 0.8206653886034204
Energy: 0.8672998784915178
Energy: 0.7948955052137143
Energy: 0.8672998784898168
Energy: 0.7914166552077377
Energy: 0.8204816850898832
Energy: 0.801862368568938
Energy: 0.8204816850898832
Energy: 0.7916405923604323
Energy: 0.9368741641277986
Energy: 0.8009875783657956
Energy: 0.9368741641277986
Energy: 0.7933741402520926
Energy: 0.7947952212872287
Energy: 0.7881869459525772
Energy: 0.7947952212872287
Energy: 0.7953251945349539
Energy: 0.8686360334915374
Energy: 0.7952834965644023
Energy: 0.8686360334915374
Energy: 0.7861437919746131
Energy: 0.7948092056329824
Energy: 0.7932124238813689
Energy: 0.7948092056329824

minimum gb energy = 0.7838124503600078 eV
minimum distance =  2.30661472568 Angstroms
sigma value = 13


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

Energy: 0.7826475018970164
Energy: 0.7513805501375611
Energy: 0.9554364631692266
Energy: 0.7513805501411257
Energy: 0.9053468862529803
Energy: 0.7710011480413514
Energy: 0.7457345078395805
Energy: 0.7710011480385647
Energy: 0.75302737673304
Energy: 0.7518883892680538
Energy: 0.9043471854616633
Energy: 0.7518883892680538
Energy: 0.7574168531431417
Energy: 0.7708597468449977
Energy: 0.7415649788539962
Energy: 0.7708597468442847
Energy: 0.7615445773230051
Energy: 0.8107939236150475
Energy: 0.7577834719499835
Energy: 0.8107939236136217
Energy: 0.7485265040610685
Energy: 0.7717245421640483
Energy: 0.7637828952539742
Energy: 0.7717245421626227
Energy: 0.7614592329380129
Energy: 0.8123573406741964
Energy: 0.8320435220225368
Energy: 0.8123573406706319
Energy: 0.7341488509190488
Energy: 0.7710616338590626
Energy: 0.7638748001333914
Energy: 0.7710616338576366
Energy: 0.7614461056788244
Energy: 0.812175641726513
Energy: 0.9574674437917092
Energy: 0.8121756417222357
Energy: 0.9025908908356398
Energy: 0.8278355600480813
Energy: 0.7418094686539294
Energy: 0.8278355600438038
Energy: 0.7615061519596711
Energy: 0.8293103210097847
Energy: 0.7429496408778622
Energy: 0.8293103210119235
Energy: 0.7783718845003383
Energy: 0.8279022006835564
Energy: 0.7410989762082121
Energy: 0.8279022006842692
Energy: 0.7907095480693319
Energy: 0.7668197979336387
Energy: 0.7450701723127556
Energy: 0.7668197979421291
Energy: 1.019229503636343
Energy: 0.8284291756109964
Energy: 0.7416275887644547
Energy: 0.8284291756095706
Energy: 0.7613093885877258
Energy: 0.7521461766432621
Energy: 0.7451224728504537
Energy: 0.752146176641901
Energy: 0.7690251438038351
Energy: 0.8286487301708934
Energy: 0.7446600703818536
Energy: 0.8286487301751708
Energy: 0.7627960344478234
Energy: 0.8093284562641454
Energy: 0.7455175836804792
Energy: 0.8093284562662841
Energy: 0.7651785321193296
Energy: 0.8098491598823955
Energy: 0.7716893922646779
Energy: 0.8098491598873211
Energy: 0.7627509314883129
Energy: 0.7674163286670086
Energy: 0.7715651972729141
Energy: 0.7674163286627309
Energy: 0.762658950353718
Energy: 0.7673141014168474
Energy: 0.7717106841446478
Energy: 0.767314101420412
Energy: 0.7651849763409363
Energy: 0.8097564782599823
Energy: 0.7715678266054296
Energy: 0.8097564782578436
Energy: 0.7627777192296608
Energy: 0.809802803573314
Energy: 0.7452647734358154
Energy: 0.809802803573314
Energy: 0.7782779578178808
Energy: 0.8287242259014033
Energy: 0.745144337187664
Energy: 0.8287242259021161
Energy: 0.7609854281969837
Energy: 0.751916459385374
Energy: 0.7458759495298715
Energy: 0.7519164593832353
Energy: 1.019433458398966
Energy: 0.8283783508417812
Energy: 0.7413870061751229
Energy: 0.8283783508439199
Energy: 0.7907127843731048
Energy: 0.7667247651112653
Energy: 0.7443582110687884
Energy: 0.7667247651126912
Energy: 0.7783319448480159
Energy: 0.8278371085699364
Energy: 0.7410059133450383
Energy: 0.8278371085720753
Energy: 0.761458467297472
Energy: 0.8289680663600569
Energy: 0.743892606612305
Energy: 0.828968066349363
Energy: 0.9025069526025477
Energy: 0.8279592459242476
Energy: 0.7418124616814962
Energy: 0.82795924591997
Energy: 0.7614770756192804
Energy: 0.8122100300590406
Energy: 0.8851671587534564
Energy: 0.8122100300561889
Energy: 0.7341406195235838
Energy: 0.7711628988432032
Energy: 0.7639166887102965
Energy: 0.7711628988432032
Energy: 0.7614466781207696
Energy: 0.8123454343908815
Energy: 1.0205589780366888
Energy: 0.8123454343915945
Energy: 0.7491686940639077
Energy: 0.7715911630888985
Energy: 0.7638759033669859
Energy: 0.7715911630867598
Energy: 0.7613669727858038
Energy: 0.8107246804068224
Energy: 1.0271543543264778
Energy: 0.8107246804068224
Energy: 0.7573175856283481
Energy: 0.7708897123859064
Energy: 0.7416010173956673
Energy: 0.7708897123844807

minimum gb energy = 0.7341406195235838 eV
minimum distance =  2.3187055735342 Angstroms
sigma value = 37


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

Energy: 0.7163475890648096
Energy: 0.7153371967143611
Energy: 0.6858391701671762
Energy: 0.7153371967143611
Energy: 0.7043268252670898
Energy: 0.7152367403335743
Energy: 0.6794014292960185
Energy: 0.7152367403348009
Energy: 0.6929015157569375
Energy: 0.8100818086416269
Energy: 1.1832990093455331
Energy: 0.8100818086428535
Energy: 0.6742462307655777
Energy: 0.7151580911443027
Energy: 0.6793683213537972
Energy: 0.7151580911443027
Energy: 0.6783119641557347
Energy: 0.7148572894762063
Energy: 0.6755935920843846
Energy: 0.7148572894774328
Energy: 0.6679052504678099
Energy: 0.7151224949301509
Energy: 0.6759846965472011
Energy: 0.7151224949301509
Energy: 0.7005051467152545
Energy: 0.7497521192667408
Energy: 0.918775131289215
Energy: 0.7497521192655143
Energy: 0.6742423236754777
Energy: 0.7159017978509399
Energy: 0.7183076649646248
Energy: 0.7159017978509399
Energy: 0.6785455815568298
Energy: 0.7150661347722538
Energy: 0.9248286061371415
Energy: 0.7150661347722538
Energy: 0.970234959857594
Energy: 0.7994296650869468
Energy: 0.6760785083704796
Energy: 0.7994296650881734
Energy: 0.7004590987906062
Energy: 0.7492416374142553
Energy: 0.6768933766785736
Energy: 0.7492416374142553
Energy: 0.9667722706574429
Energy: 0.7153285108446675
Energy: 0.6793785340410383
Energy: 0.7153285108446675
Energy: 0.6784436703548191
Energy: 0.715090536169306
Energy: 0.6680982339622886
Energy: 0.715090536169306
Energy: 0.9174795528069486
Energy: 0.7492838738728413
Energy: 0.6744831569457936
Energy: 0.7492838738740678
Energy: 0.7149351366575453
Energy: 0.7499330863592321
Energy: 0.6764739600322103
Energy: 0.7499330863592321
Energy: 0.7153044359002569
Energy: 0.7154922238900122
Energy: 0.6795585930584356
Energy: 0.7154922238900122
Energy: 0.6784997899618406
Energy: 0.8003716857705511
Energy: 0.6734702678265846
Energy: 0.8003716857705511
Energy: 0.6896097964450818
Energy: 0.8308326816894842
Energy: 0.6744327806378291
Energy: 0.8308326816894842
Energy: 0.6799934324090444
Energy: 0.716870406077429
Energy: 0.6798635946667017
Energy: 0.716870406077429
Energy: 0.6742149539296713
Energy: 0.715763543282322
Energy: 0.6734235498723368
Energy: 0.715763543282322

minimum gb energy = 0.6679052504678099 eV
minimum distance =  2.32856409398425 Angstroms
sigma value = 25


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

Energy: 0.6554971653206444
Energy: 0.6177958836059216
Energy: 0.6021912486509177
Energy: 0.6177958836068794
Energy: 0.8147969642900109
Energy: 0.6341824900947264
Energy: 0.6202417960386837
Energy: 0.6341824900956841
Energy: 0.6160819848113498
Energy: 0.6157725583059248
Energy: 0.8465840683705637
Energy: 0.6157725583059248
Energy: 0.6175892069618374
Energy: 0.6343106969289681
Energy: 0.6209641402403241
Energy: 0.634310696929926
Energy: 0.62027343115642
Energy: 0.6341853387084685
Energy: 0.6105860441700464
Energy: 0.6341853387084685
Energy: 0.5947189437945039
Energy: 0.6344190481112695
Energy: 0.6208873952339656
Energy: 0.6344190481122272
Energy: 0.6207058780621042
Energy: 0.6158948606147759
Energy: 0.6180952274382909
Energy: 0.6158948606166915
Energy: 0.5908681000639308
Energy: 0.6551550794556453
Energy: 0.6171788332868067
Energy: 0.6551550794566031
Energy: 0.620229716206838
Energy: 0.634096133521038
Energy: 0.8146552815694617
Energy: 0.634096133521038
Energy: 0.5945066578761876
Energy: 0.6177953965260424
Energy: 0.6567109205053061
Energy: 0.6177953965250846
Energy: 0.6206799821404498
Energy: 0.6158236304953819
Energy: 0.995767310673313
Energy: 0.6158236304953819
Energy: 0.8415843701574753
Energy: 0.7256827133547125
Energy: 0.6172595192377782
Energy: 0.7256827133547125
Energy: 0.6203663591945523
Energy: 0.6341298505428208
Energy: 0.7955556874939125
Energy: 0.6341298505437786
Energy: 0.8436800998969394
Energy: 0.6160039204269719
Energy: 0.6214640367867974
Energy: 0.6160039204336765
Energy: 0.6206538754275621
Energy: 0.6157836549510698
Energy: 0.5947499434510064
Energy: 0.6157836549520276
Energy: 0.8254868382656586
Energy: 0.7260851782946065
Energy: 0.6234032552605459
Energy: 0.7260851782888599
Energy: 0.6204065027133865
Energy: 0.6547138469085764
Energy: 0.5908949504305815
Energy: 0.6547138469085764
Energy: 0.8228918637800221
Energy: 0.6340386124850462
Energy: 0.6212090313377521
Energy: 0.6340386124850462
Energy: 0.6595033140497284
Energy: 0.6156720045388193
Energy: 0.6040068320684977
Energy: 0.6156720045388193
Energy: 0.9924377368889631
Energy: 0.7240653122923051
Energy: 0.6235397653971719
Energy: 0.7240653122923051
Energy: 0.6204196945755844
Energy: 0.721339041563437
Energy: 0.5910668223190493
Energy: 0.721339041563437
Energy: 0.6170361066851917
Energy: 0.6343940902897538
Energy: 0.620790620453941
Energy: 0.634394090288796
Energy: 0.6210071272310167
Energy: 0.6163481015539961
Energy: 0.8405687278282307
Energy: 0.6163481015520805
Energy: 0.5994782787456561
Energy: 0.7243007498366263
Energy: 0.6237236968560056
Energy: 0.7243007498366263
Energy: 0.6193005551979871
Energy: 0.7230995828648393
Energy: 0.8300754131509004
Energy: 0.7230995828638817
Energy: 0.594727721644003
Energy: 0.6551435011109483
Energy: 0.6214120980997189
Energy: 0.6551435011099904

minimum gb energy = 0.5908681000639308 eV
minimum distance =  2.33024676213533 Angstroms
sigma value = 41


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

Energy: 0.8779319556301712
Energy: 0.5723720627989118
Energy: 0.7910088943464598
Energy: 0.5723720627981267
Energy: 0.8856758660290156
Energy: 0.559271629425542
Energy: 0.551448102456092
Energy: 0.559271629425542
Energy: 0.571560266019696
Energy: 0.5492183991984136
Energy: 0.5413541007296471
Energy: 0.5492183992007693
Energy: 0.7201228232843427
Energy: 0.5598523487877571
Energy: 0.551491175319183
Energy: 0.5598523487885424
Energy: 0.5483134793859962
Energy: 0.587321642423593
Energy: 0.5512918828567687
Energy: 0.587321642423593
Energy: 0.555147716611973
Energy: 0.5599785933447786
Energy: 0.5513065098658484
Energy: 0.5599785933455639
Energy: 0.5507044112037557
Energy: 0.5593633998953887
Energy: 0.5554203789583889
Energy: 0.5593633998953887
Energy: 0.5361187117091447
Energy: 0.5723174591701665
Energy: 0.548837317751263
Energy: 0.5723174591693813
Energy: 0.5531368052187258
Energy: 0.5724337157601889
Energy: 0.7981593684105214
Energy: 0.5724337157609742
Energy: 0.5343300035435891
Energy: 0.5495718701129347
Energy: 0.5723685447628845
Energy: 0.5495718701113643
Energy: 0.5507591751688574
Energy: 0.5594444497532686
Energy: 1.008014439432299
Energy: 0.5594444497532686
Energy: 0.5363310140166516
Energy: 0.5727761647567527
Energy: 0.8778320541714048
Energy: 0.5727761647559676
Energy: 0.5532867050137598
Energy: 0.574462312874958
Energy: 1.0074976280337922
Energy: 0.5744623128741728
Energy: 0.7459343734979168
Energy: 0.6286940044078148
Energy: 0.5721765733209792
Energy: 0.6286940044031034
Energy: 0.5507537337763784
Energy: 0.5593785591327297
Energy: 0.8746091143208444
Energy: 0.5593785591327297
Energy: 0.7505938162826618
Energy: 0.5735780804240155
Energy: 0.548829428514471
Energy: 0.5735780804248007
Energy: 0.5531997364103268
Energy: 0.5724495062918247
Energy: 0.7909213539889964
Energy: 0.5724495062894689
Energy: 0.7386603538213812
Energy: 0.6288179067362385
Energy: 0.5513208715915092
Energy: 0.6288179067268159
Energy: 0.5508654274845988
Energy: 0.5720873316434026
Energy: 0.5455323397535033
Energy: 0.5720873316434026
Energy: 0.7438937694919002
Energy: 0.5734307781377663
Energy: 0.5562184136806978
Energy: 0.5734307781385515
Energy: 0.5741922049995081
Energy: 0.5721530110245877
Energy: 0.5483633987367552
Energy: 0.572153011026158
Energy: 1.0066155866675812
Energy: 0.5871213304441047
Energy: 0.5514082821894571
Energy: 0.5871213304425343
Energy: 0.878434808273627
Energy: 0.5714632550112315
Energy: 0.54612893701793
Energy: 0.5714632550104463
Energy: 0.8921018104458104
Energy: 0.5728341114747884
Energy: 0.5560927200853778
Energy: 0.5728341114724326
Energy: 0.5741247995344053
Energy: 0.6293752158352283
Energy: 0.5437321985090838
Energy: 0.6293752158367988
Energy: 0.8741197461513336
Energy: 0.5864025253942211
Energy: 0.5514757284060253
Energy: 0.5864025254099255
Energy: 0.5505840540907575
Energy: 0.5721880845417014
Energy: 0.7471395093759069
Energy: 0.5721880845409163
Energy: 0.5571402324681044
Energy: 0.571984938158186
Energy: 0.5562322371957388
Energy: 0.5719849381589713
Energy: 0.5534150073007145
Energy: 0.6296743375612888
Energy: 0.7351601505627403
Energy: 0.6296743375612888
Energy: 0.545920061612447
Energy: 0.6044353800007928
Energy: 0.5536415749255049
Energy: 0.6044353799992221
Energy: 0.5550849191441892
Energy: 0.5717583872661253
Energy: 0.7482530368298356
Energy: 0.5717583872676956
Energy: 0.5362680955651393
Energy: 0.5726411209129174
Energy: 0.5773000358163916
Energy: 0.572641120915273

minimum gb energy = 0.5343300035435891 eV
minimum distance =  2.3267927783792 Angstroms
sigma value = 15


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

Energy: 0.7906835749843446
Energy: 0.5167047378296407
Energy: 0.7524782216318955
Energy: 0.5167047378269799
Energy: 0.9076587626433897
Energy: 0.5143774503858488
Energy: 0.5155188020652692
Energy: 0.5143774503845184
Energy: 0.5347361522305369
Energy: 0.5142916521464923
Energy: 1.0016427568498776
Energy: 0.5142916521471574
Energy: 0.7920993370025434
Energy: 0.5153519141640793
Energy: 0.5153665653418457
Energy: 0.5153519141667401
Energy: 0.5134875853246953
Energy: 0.5204438195442163
Energy: 0.5047726882524044
Energy: 0.5204438194710449
Energy: 0.7874630101397379
Energy: 0.5145177602005874
Energy: 0.5153731494066122
Energy: 0.514517760205909
Energy: 0.5151479016503685
Energy: 0.5249274454875542
Energy: 0.5099196118336435
Energy: 0.5249274454855586
Energy: 0.647884564798225
Energy: 0.524443539912663
Energy: 0.5154125520044435
Energy: 0.524443539912663
Energy: 0.5166633097721328
Energy: 0.5257898020282659
Energy: 0.6500206319118813
Energy: 0.5257898020302615
Energy: 0.5053113436267697
Energy: 0.5144928877457645
Energy: 0.5137876253688298
Energy: 0.514492887743769
Energy: 0.5150555717754749
Energy: 0.51467115421073
Energy: 0.7919039342586717
Energy: 0.5146711542120603
Energy: 0.506693008938402
Energy: 0.5143189736218097
Energy: 0.5347121565045733
Energy: 0.5143189736231402
Energy: 0.5168110748398576
Energy: 0.5259765147684603
Energy: 1.0706189572197484
Energy: 0.5259765147691255
Energy: 0.5082351175591127
Energy: 0.517069394463373
Energy: 0.7908354890479303
Energy: 0.5170693944640381
Energy: 0.5151094633258939
Energy: 0.5142113233091564
Energy: 1.016818656301693
Energy: 0.5142113239308101
Energy: 0.6688146899938754
Energy: 0.5141840036682616
Energy: 0.5348945728629877
Energy: 0.5141840036669312
Energy: 0.5169135395736643
Energy: 0.5248261265968991
Energy: 0.8993638072519156
Energy: 0.5248261265949035
Energy: 0.6707681879130254
Energy: 0.7079475199427453
Energy: 0.5138415570139142
Energy: 0.7079475199400845
Energy: 0.5150490416047547
Energy: 0.5139795965534201
Energy: 0.7847159265296167
Energy: 0.5139795965607371
Energy: 0.671129456014436
Energy: 0.5148015631808793
Energy: 0.5154603700814588
Energy: 0.5148015631808793
Energy: 0.516827880020764
Energy: 0.5347046099251012
Energy: 0.712495738784448
Energy: 0.5347046100082503
Energy: 0.6746805152858039
Energy: 0.524430253199913
Energy: 0.5188647605304507
Energy: 0.5244302531952566
Energy: 0.5150454002148676
Energy: 0.5137553681880517
Energy: 0.5039383327951783
Energy: 0.5137553681900473
Energy: 0.9346269822309587
Energy: 0.515196334445795
Energy: 0.5154949787960086
Energy: 0.5151963344444646
Energy: 0.5361671021143172
Energy: 0.534379303940059
Energy: 0.5055567140058522
Energy: 0.5343793039387286
Energy: 0.9133004198570508
Energy: 0.5237646981921398
Energy: 0.5185867914461036
Energy: 0.5237646981921398
Energy: 0.7914787953738429
Energy: 0.5140618534162597
Energy: 0.5043693285433333
Energy: 0.5140618534189204
Energy: 1.0145205729535145
Energy: 0.5155773178369265
Energy: 0.5155553748388
Energy: 0.5155773149585734
Energy: 0.5359780659455671
Energy: 0.582691457231017
Energy: 0.5030073157299879
Energy: 0.5826914572283562
Energy: 0.796192146678736
Energy: 0.5245204034152098
Energy: 0.5186301996172216
Energy: 0.5245204034138793
Energy: 0.5150291934504121
Energy: 0.7068408232654322
Energy: 0.676144087573943
Energy: 0.7068408232660972
Energy: 0.7836532050300955
Energy: 0.5132974481894754
Energy: 0.5154175795915243
Energy: 0.5132974482093707
Energy: 0.516655648846122
Energy: 0.5879202283286186
Energy: 0.6674418529616502
Energy: 0.5879202283106583
Energy: 0.5127245005922392
Energy: 0.5342785389595045
Energy: 0.5188979149954169
Energy: 0.5342785389608349
Energy: 0.5101235898520468
Energy: 0.5619827414715194
Energy: 0.6712750967817294
Energy: 0.5619827414768409
Energy: 0.5052412244194341
Energy: 0.5138135085747516
Energy: 0.5169454861199141
Energy: 0.5138135085740865
Energy: 0.5168072141512409
Energy: 0.5886673415745689
Energy: 0.9324430381896414
Energy: 0.5886673415765643

minimum gb energy = 0.5030073157299879 eV
minimum distance =  2.32509864962082 Angstroms
sigma value = 85


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

Energy: 0.8009647949647604
Energy: 0.511802257215653
Energy: 0.5837585649906862
Energy: 0.5118022570403468
Energy: 0.9729961027993177
Energy: 0.5022018250683168
Energy: 0.47127006476122585
Energy: 0.5022018250683168
Energy: 0.7727059488669925
Energy: 0.5075486281873772
Energy: 0.46410920742135847
Energy: 0.5075486281862235
Energy: 0.8709380089183083
Energy: 0.4989440329042957
Energy: 0.47114302774273376
Energy: 0.4989440329025649
Energy: 0.5576650432533876
Energy: 0.47777532660194505
Energy: 0.46269664286250317
Energy: 0.47777532660252187
Energy: 0.8453631729850227
Energy: 0.5068530992518226
Energy: 0.4710627057399002
Energy: 0.5068530992523996
Energy: 0.5292977625869271
Energy: 0.5144760001062627
Energy: 0.5292533000771891
Energy: 0.5144760001079934
Energy: 0.7366705900039119
Energy: 0.4975955527960096
Energy: 0.47846129973152934
Energy: 0.4975955527977404
Energy: 0.4777331129371277
Energy: 0.4835256536517648
Energy: 0.6543781861942584
Energy: 0.4835256536558033
Energy: 0.6198478378763732
Energy: 0.5086047747121077
Energy: 0.5297115763141056
Energy: 0.5086047747149661
Energy: 0.4725756441227237
Energy: 0.4980159681009914
Energy: 0.7685351773712947
Energy: 0.4980159680981068
Energy: 0.5000694535664033
Energy: 0.5031488081547058
Energy: 0.5581102555562225
Energy: 0.5031488081547058
Energy: 0.4708077701784178
Energy: 0.4826058843540454
Energy: 0.8711639201357686
Energy: 0.4826058843557762
Energy: 0.43962081875985676
Energy: 0.5077498890321964
Energy: 0.7727060344075597
Energy: 0.5077498890287349
Energy: 0.4724976373832453
Energy: 0.4981991782300793
Energy: 1.0528416614371559
Energy: 0.4981991782283486
Energy: 0.4387099684849849
Energy: 0.501048219186158
Energy: 0.7381889540702267
Energy: 0.5010482191838503
Energy: 0.4708476165829095
Energy: 0.4835570411000336
Energy: 1.0009073300187588
Energy: 0.48355704110061054
Energy: 0.5854792507683962
Energy: 0.5076188429125154
Energy: 0.7726873579545637
Energy: 0.5076188429107846
Energy: 0.47259124529809826
Energy: 0.49875881130143823
Energy: 0.9495934888969692
Energy: 0.4987588112997075
Energy: 0.5919735599765955
Energy: 0.5011081614644907
Energy: 0.5580852693803215
Energy: 0.5011081614656445
Energy: 0.4715563933589279
Energy: 0.49057228519501633
Energy: 0.8448861806635009
Energy: 0.4905722851944394
Energy: 0.6465293679741094
Energy: 0.49821493212659795
Energy: 0.529771241311102
Energy: 0.4982149321260211
Energy: 0.47938646984292704
Energy: 0.497332102815544
Energy: 0.7367788918560505
Energy: 0.4973321028126594
Energy: 0.6577260898657487
Energy: 0.5157500716291987
Energy: 0.47861406821502667
Energy: 0.5157500716274681
Energy: 0.5309786303228373
Energy: 0.49895094059448397
Energy: 0.6214908660814347
Energy: 0.49895094063717627
Energy: 0.88080901395673
Energy: 0.4981387501613313
Energy: 0.47323139972506806
Energy: 0.49813875016248516
Energy: 0.5593385191798582
Energy: 0.4973535658174023
Energy: 0.49831300846820614
Energy: 0.49735356581913315
Energy: 0.8911957096758469
Energy: 0.51872113343017
Energy: 0.47142256148903017
Energy: 0.51872113343017
Energy: 0.7727447783888025
Energy: 0.5086930916879626
Energy: 0.5007083206110137
Energy: 0.5086930916914242
Energy: 1.0529976533256906
Energy: 0.49803839478163686
Energy: 0.4728982382598782
Energy: 0.4980383947833414
Energy: 0.8012826985637426
Energy: 0.5067648229309872
Energy: 0.43669604375758997
Energy: 0.5067648229332951
Energy: 0.9684004684138772
Energy: 0.5137858433338359
Energy: 0.4713567232011233
Energy: 0.5137858433338359
Energy: 0.7727412110587321
Energy: 0.5086724052132876
Energy: 0.439503560627905
Energy: 0.5086724052132876
Energy: 0.9495128322436477
Energy: 0.4987690510581004
Energy: 0.47305714653165065
Energy: 0.4987690510598311
Energy: 0.5591263583621648
Energy: 0.497190993529169
Energy: 0.5950266266638448
Energy: 0.49719099353089985
Energy: 0.7549460339077892
Energy: 0.5228166843695872
Energy: 0.47280834962182505
Energy: 0.5228166843695872
Energy: 0.5310376017226385
Energy: 0.4984037585060111
Energy: 0.6469948665726803
Energy: 0.49840375850543417
Energy: 0.7366849217179311
Energy: 0.49726216081032176
Energy: 0.48054156415454236
Energy: 0.49726216080916796
Energy: 0.4792426839453071
Energy: 0.49723323758493176
Energy: 0.6579508738211437
Energy: 0.4972332375843549
Energy: 0.5114414515182291
Energy: 0.5307903569936124
Energy: 0.5327584793085125
Energy: 0.5307903569913046
Energy: 0.4736390021779449
Energy: 0.4984769181247971
Energy: 0.8806150497902676
Energy: 0.4984769181242202
Energy: 0.4986220758060769
Energy: 0.49716204016311355
Energy: 0.5614495790823936
Energy: 0.497162040187895
Energy: 0.4726338578057257
Energy: 0.497376740323282
Energy: 0.8912345900706754
Energy: 0.49737674032270507

minimum gb energy = 0.43669604375758997 eV
minimum distance =  2.33768704331157 Angstroms
sigma value = 113


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

Energy: 0.015485465609495657
Energy: 0.0161696028793064
Energy: 1.473044287777903
Energy: 0.0161696028793064
Energy: 0.5962925489746764
Energy: 0.22697574404695256
Energy: 0.22662070456307176
Energy: 0.22697574404695256
Energy: 0.015485465609495657
Energy: 0.0161696028793064
Energy: 0.596405435918926
Energy: 0.016169602879725267
Energy: 0.5962925489750953
Energy: 0.22697574404695256
Energy: 0.2266206857842631
Energy: 0.22697574404739607
Energy: 0.015485465609495657
Energy: 0.0161696028793064
Energy: 0.5964054359180637
Energy: 0.016169602879725267
Energy: 0.5962925489750953
Energy: 0.22697574404695256
Energy: 0.2266206912593069
Energy: 0.22697574404695256

minimum gb energy = 0.015485465609495657 eV
minimum distance =  2.5416026402885 Angstroms
sigma value = 1