Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_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=3.620000004768371
cohesive_energy=3.540278409563981
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: 0.01365143610173867
Energy: 0.014128671643761945
Energy: 0.3312201894943986
Energy: 0.014128671643761945
Energy: 0.014128671643761945
Energy: 0.611944279630455
Energy: 0.014128671643761945
Energy: 0.611944279630455
Energy: 0.3312201894943986
Energy: 0.014128671643761945
Energy: 0.01365143610173867
Energy: 0.014128671643761945
Energy: 0.014128671643761945
Energy: 0.611944279630455
Energy: 0.014128671643761945
Energy: 0.611944279630455

minimum gb energy = 0.01365143610173867 eV
minimum distance =  2.43555218888612 Angstroms
sigma value = 1


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

Energy: 0.9267578071494914
Energy: 0.8778429044599556
Energy: 0.9798173455651277
Energy: 0.8778429044599556
Energy: 0.8487831148003404
Energy: 0.8897545994271095
Energy: 0.8498573901029838
Energy: 0.8897545994271095
Energy: 0.8146826024954884
Energy: 0.8680573495263837
Energy: 0.8808572188857311
Energy: 0.8680573495263837
Energy: 0.8421572354688205
Energy: 0.915610192384624
Energy: 0.8289587422925053
Energy: 0.915610192384624
Energy: 0.8334909427740106
Energy: 0.8788995878821275
Energy: 0.8761842966865702
Energy: 0.8788995878821275
Energy: 0.8131081883339877
Energy: 0.9809918582179094
Energy: 0.811968492166763
Energy: 0.9809918582171507
Energy: 0.8523390519219349
Energy: 0.8686948751745577
Energy: 0.8145747849646116
Energy: 0.8686948751745577
Energy: 0.7807576518154673
Energy: 0.8791858346374638
Energy: 0.8001529683998639
Energy: 0.8791858346374638
Energy: 0.8282829064925715
Energy: 1.025192209415611
Energy: 0.9310673794847458
Energy: 1.025192209415611
Energy: 0.799266676041662
Energy: 0.8678957316296154
Energy: 0.7774863809539079
Energy: 0.8678957316296154
Energy: 0.8573601533214131
Energy: 0.8910667989498415
Energy: 0.8284158707276303
Energy: 0.8910667989498415
Energy: 0.8995499865177853
Energy: 0.8789981967128969
Energy: 0.807638296256707
Energy: 0.8789981967128969
Energy: 0.8482199043108863
Energy: 0.8673710070135576
Energy: 0.852051185611486
Energy: 0.8673710070135576
Energy: 0.8388503159023708
Energy: 0.8730648826844146
Energy: 0.8179344433266779
Energy: 0.8730648826844146
Energy: 0.8879636526419421
Energy: 0.8778338891039802
Energy: 0.834342577897698
Energy: 0.8778338891039802
Energy: 0.8417489279873938
Energy: 0.8778585851065891
Energy: 0.8483996233359704
Energy: 0.8778585851058305
Energy: 0.8808730153840455
Energy: 0.8680355696079969
Energy: 0.80431265460215
Energy: 0.8680355696072382
Energy: 0.8498102348212272
Energy: 0.8640220690852012
Energy: 0.9545540204185031
Energy: 0.8640220690852012
Energy: 0.7875667659171064
Energy: 0.8787282175451677
Energy: 0.8067319549478154
Energy: 0.8787282175459263
Energy: 0.9412229936204829
Energy: 0.9857596884526564
Energy: 0.8299136522208557
Energy: 0.9857596884526564
Energy: 0.8025277392358828
Energy: 0.8678045713095829
Energy: 0.775953811901298
Energy: 0.8678045713095829
Energy: 0.8287817961971476
Energy: 0.9668820754228704
Energy: 0.9187371014874234
Energy: 0.9668820754228704
Energy: 0.9686882716649016
Energy: 0.8793307630868841
Energy: 0.8064924218794624
Energy: 0.8793307630868841
Energy: 0.900429833130993
Energy: 0.8677979181864498
Energy: 0.8138145565744942
Energy: 0.8677979181864498
Energy: 0.8146788566069356
Energy: 0.9781832229136161
Energy: 0.9240938017367614
Energy: 0.9781832229136161
Energy: 0.8355673009848726
Energy: 0.8788338533833959
Energy: 0.816971383085708
Energy: 0.8788338533833959
Energy: 0.8411512925636841
Energy: 1.0172662331328988
Energy: 0.8282082248349051
Energy: 1.0172662331328988
Energy: 0.9134331470449643
Energy: 0.8673409453339513
Energy: 0.9149345937700205
Energy: 0.8673409453347098
Energy: 0.8479014152964741
Energy: 0.8909494481963863
Energy: 0.847978684298852
Energy: 0.8909494481963863
Energy: 0.9272914110323572
Energy: 0.8780875988180686
Energy: 0.8944015832504484
Energy: 0.8780875988188271
Energy: 0.8516877858008264
Energy: 0.874288840524331
Energy: 0.8481470583722891
Energy: 0.874288840524331
Energy: 0.8300208977112342
Energy: 0.8686202766868516
Energy: 0.8394914930037339
Energy: 0.8686202766868516
Energy: 0.8334584519111408
Energy: 0.9149773756915218
Energy: 0.8243118833192054
Energy: 0.9149773756915218

minimum gb energy = 0.775953811901298 eV
minimum distance =  2.2744155399721 Angstroms
sigma value = 1


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

Energy: 0.9856894985794996
Energy: 0.9348348438939097
Energy: 1.0443994320230536
Energy: 0.9348348438939097
Energy: 0.8780850919915052
Energy: 0.9158370452414542
Energy: 0.8823429987477625
Energy: 0.9158370452405894
Energy: 0.8520881258034992
Energy: 0.9338447796942658
Energy: 0.9325628059476354
Energy: 0.9338447796942658
Energy: 0.863621652488165
Energy: 0.8898376307946738
Energy: 0.842036724007452
Energy: 0.8898376307946738
Energy: 0.863319863275767
Energy: 0.9193292719849826
Energy: 0.9464511404109428
Energy: 0.9193292719849826
Energy: 0.9561105676650969
Energy: 0.9169624506456603
Energy: 0.9133633119456667
Energy: 0.9169624506447954
Energy: 0.9472834058206705
Energy: 1.0118215376005832
Energy: 0.8418925519963782
Energy: 1.0118215376005832
Energy: 0.8076363514008738
Energy: 0.9337054678627127
Energy: 0.8413661965554162
Energy: 0.9337054678627127
Energy: 0.8575031168040881
Energy: 1.221239888723934
Energy: 0.9968971461723373
Energy: 1.2212398887230689
Energy: 0.8396188547052699
Energy: 0.9339446417274988
Energy: 0.8163343781475261
Energy: 0.9339446417274988
Energy: 0.8842542024708835
Energy: 0.9013409983363067
Energy: 0.882297084253956
Energy: 0.9013409983363067
Energy: 0.8332225207109751
Energy: 0.9249361737416874
Energy: 0.9325309619209555
Energy: 0.9249361737416874
Energy: 0.8778930828817015
Energy: 0.9178422907490728
Energy: 0.8761037363677808
Energy: 0.9178422907490728
Energy: 0.8778677401944398
Energy: 0.9178573922646304
Energy: 0.8703483945665812
Energy: 0.9178573922646304
Energy: 0.83330689777757
Energy: 0.9249020626445674
Energy: 0.9324467949442474
Energy: 0.9249020626437026
Energy: 0.8847004036061396
Energy: 0.9013346019851994
Energy: 0.8822264757431232
Energy: 0.9013346019851994
Energy: 0.839655671431634
Energy: 0.9340304532564475
Energy: 0.8188525039140822
Energy: 0.9340304532564475
Energy: 0.857542063234278
Energy: 1.221625260765137
Energy: 0.9968501443467244
Energy: 1.221625260765137
Energy: 0.8076355766876515
Energy: 0.9339735035969742
Energy: 0.8423365458489974
Energy: 0.9339735035978391
Energy: 0.9460270549924624
Energy: 1.0121079814684515
Energy: 0.8465509835981005
Energy: 1.0121079814667218
Energy: 0.9560300500322623
Energy: 0.916949714995414
Energy: 0.842227196511798
Energy: 0.916949714996279
Energy: 0.8633336062267467
Energy: 0.9194480086029051
Energy: 0.8626836698949417
Energy: 0.9194480086029051
Energy: 0.8632385009582341
Energy: 0.8896921403313698
Energy: 0.842107705094549
Energy: 0.8896921403322346
Energy: 0.8520322629537007
Energy: 0.9339173708025732
Energy: 0.9325050129089311
Energy: 0.9339173708025732
Energy: 0.8781523906552572
Energy: 0.9160692001331445
Energy: 0.8822578444279734
Energy: 0.9160692001340094
Energy: 0.9856894985794996
Energy: 0.9348348438939097
Energy: 1.085577709384489
Energy: 0.9348348438939097
Energy: 0.8780850919906402
Energy: 0.9158370452405894
Energy: 0.8823429987477625
Energy: 0.9158370452414542
Energy: 0.8520881258034992
Energy: 0.9338447796942658
Energy: 0.9325628059485004
Energy: 0.9338447796942658
Energy: 0.863621652488165
Energy: 0.8898376307946738
Energy: 0.8455029058917447
Energy: 0.8898376307946738

minimum gb energy = 0.8076355766876515 eV
minimum distance =  2.25480102684726 Angstroms
sigma value = 25


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

Energy: 0.9077609734388442
Energy: 0.9729520157185805
Energy: 1.120254076729324
Energy: 0.9729520157185805
Energy: 0.924365434671615
Energy: 0.9720048982003339
Energy: 0.898568902150639
Energy: 0.9720048981993283
Energy: 0.891665439388899
Energy: 0.99858227702874
Energy: 0.8874591669470757
Energy: 0.99858227702874
Energy: 0.9042510766911601
Energy: 0.9561459176381424
Energy: 0.873413921880596
Energy: 0.9561459176371371
Energy: 0.8745595931607282
Energy: 0.9855746983641281
Energy: 1.0104135937929086
Energy: 0.9855746983641281
Energy: 1.0128339962880701
Energy: 0.9972531062974537
Energy: 1.0163449307541856
Energy: 0.9972531062974537
Energy: 0.9231770937420294
Energy: 0.9044305964643581
Energy: 0.893218962371928
Energy: 0.9044305964643581
Energy: 1.1178344921434347
Energy: 0.9761560131294414
Energy: 0.8484573332862767
Energy: 0.9761560131294414
Energy: 0.893060223120561
Energy: 0.9472678931341291
Energy: 0.9224128312932767
Energy: 0.9472678931341291
Energy: 0.8892122152208201
Energy: 0.9983039488716903
Energy: 0.8700277854531389
Energy: 0.9983039488716903
Energy: 0.9182949043236821
Energy: 0.9723752607731864
Energy: 0.8967325411014735
Energy: 0.9723752607731864
Energy: 0.8986042970562371
Energy: 0.9733046034293045
Energy: 0.89676296078414
Energy: 0.973304603428299
Energy: 0.887677504738304
Energy: 0.9579400511345816
Energy: 0.868526796993044
Energy: 0.9579400511335762
Energy: 0.8927047657982792
Energy: 0.8871845318270656
Energy: 0.9249808277696817
Energy: 0.8871845311597276
Energy: 0.8430338633408434
Energy: 0.9734205351068994
Energy: 0.8466307231053714
Energy: 0.9734205351068994
Energy: 0.9236492771592328
Energy: 0.9035378810310251
Energy: 0.8761833897080539
Energy: 0.9035378810310251
Energy: 0.8373076313673371
Energy: 0.9986671845541836
Energy: 0.8370475583827869
Energy: 0.9986671845541836
Energy: 0.8738436433202441
Energy: 0.9869306954344175
Energy: 0.925279675676087
Energy: 0.9869306954344175
Energy: 0.8833059730276981
Energy: 0.9562319451606466
Energy: 0.8745091432586882
Energy: 0.9562319451616521
Energy: 0.9256496763368306
Energy: 0.9972786346922349
Energy: 0.9048856441834993
Energy: 0.9972786346932403
Energy: 0.9016048558030135
Energy: 0.9434753118411038
Energy: 0.8967636508750683
Energy: 0.9434753118411038
Energy: 0.9091177026429704
Energy: 0.9739681952164987
Energy: 1.015967740096709
Energy: 0.9739681952164987
Energy: 0.922550634329558
Energy: 0.9547485492805646
Energy: 0.8976371103270592
Energy: 0.9547485492805646
Energy: 1.0362523180677823
Energy: 1.0015040553442507
Energy: 0.8890153453385631
Energy: 1.0015040553442507
Energy: 1.0485740354783128
Energy: 0.9504454204283567
Energy: 0.8745427582753736
Energy: 0.9504454204283567

minimum gb energy = 0.8370475583827869 eV
minimum distance =  2.26050378594382 Angstroms
sigma value = 9


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

Energy: 0.9454310831445651
Energy: 0.9451176435299546
Energy: 1.2077059354970394
Energy: 0.9451176435299546
Energy: 0.9150836593534648
Energy: 0.9939410655999309
Energy: 0.9275683095877055
Energy: 0.9939410655999309
Energy: 0.9236050694534826
Energy: 0.957753646165684
Energy: 0.9502553315297178
Energy: 0.957753646165684
Energy: 1.0937576239848366
Energy: 1.0318890698164798
Energy: 0.8845547560932893
Energy: 1.0318890698164798
Energy: 1.0740490196534722
Energy: 0.9982163990130122
Energy: 1.0914854415659665
Energy: 0.9982163990130122
Energy: 0.8587546823136873
Energy: 0.9611048467613899
Energy: 1.1315303819135638
Energy: 0.9611048467613899
Energy: 0.9267113868056474
Energy: 0.9797488158693678
Energy: 0.8855312435637084
Energy: 0.9797488158693678
Energy: 1.027082903980782
Energy: 0.9611301779970682
Energy: 0.8761663685999054
Energy: 0.9611301779970682
Energy: 0.9272107531512662
Energy: 0.9986490465908967
Energy: 0.9427471635804863
Energy: 0.9986490465908967
Energy: 0.9451463183633438
Energy: 0.9606860409200151
Energy: 0.9386889098789687
Energy: 0.9606860409200151
Energy: 0.8930412857354701
Energy: 1.0143297054875915
Energy: 0.9504088662714784
Energy: 1.0143297054887908
Energy: 0.9447979903238207
Energy: 1.0556225348178558
Energy: 0.8848717613858426
Energy: 1.0556225348178558
Energy: 0.8585034536499453
Energy: 0.9451246122163242
Energy: 0.8877955278527376
Energy: 0.9451246122151249
Energy: 0.9274671424431834
Energy: 0.9367092662539739
Energy: 0.9272037268963221
Energy: 0.9367092662539739
Energy: 0.8585163110264303
Energy: 0.9445223983357233
Energy: 0.8677043551338459
Energy: 0.9445223983369228
Energy: 0.9449024200056355
Energy: 1.0556844095270699
Energy: 0.8848208246647483
Energy: 1.0556844095270699
Energy: 0.8930630478140502
Energy: 1.0141481306788425
Energy: 0.9502749432631395
Energy: 1.0141481306788425
Energy: 0.9452549291718765
Energy: 0.9605845963201486
Energy: 0.9387646243261906
Energy: 0.9605845963201486
Energy: 0.9272246995972167
Energy: 0.9986360747352798
Energy: 0.9428090007681889
Energy: 0.9986360747352798
Energy: 1.0271143345074834
Energy: 0.9612138038522271
Energy: 0.8760690293596397
Energy: 0.9612138038534265
Energy: 0.926679591588937
Energy: 0.9797049394654456
Energy: 0.8855697400531304
Energy: 0.9797049394654456

minimum gb energy = 0.8585034536499453 eV
minimum distance =  2.26413810744414 Angstroms
sigma value = 25


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

Energy: 0.8896247862177586
Energy: 1.0557503781825353
Energy: 1.197362124297175
Energy: 1.0557503781825353
Energy: 0.8752276343870006
Energy: 1.015650380702861
Energy: 0.8644870227504153
Energy: 1.015650380702861
Energy: 0.8648739140827183
Energy: 1.0564446698408123
Energy: 0.8641090883051281
Energy: 1.0564446698422956
Energy: 0.8890690611288207
Energy: 1.0390442337586259
Energy: 1.085892331023775
Energy: 1.0390442337586259
Energy: 1.0850775720485026
Energy: 0.944958018892243
Energy: 0.8640295304793943
Energy: 0.944958018892243
Energy: 0.8677253702808663
Energy: 1.057104366149588
Energy: 1.1940397635647397
Energy: 1.057104366149588
Energy: 0.8646264653672718
Energy: 0.9509708870263585
Energy: 0.8641144215436949
Energy: 0.9509708870263585
Energy: 0.8768346463384987
Energy: 1.057282008889079
Energy: 0.8880360294670361
Energy: 1.057282008889079
Energy: 0.8644498991212083
Energy: 0.9495145054091032
Energy: 0.8765849441514383
Energy: 0.9495145054091032
Energy: 1.1131104399770073
Energy: 1.056885522128404
Energy: 0.865786787299257
Energy: 1.056885522128404
Energy: 0.868641999497587
Energy: 1.0389430050447783
Energy: 1.290530220934985
Energy: 1.0389430050447783
Energy: 0.8659236817519675
Energy: 0.9574788688951651
Energy: 1.1153933423529103
Energy: 0.9574788688951651
Energy: 1.0748148108561804
Energy: 1.0578613670387274
Energy: 0.8639800074756518
Energy: 1.0578613670402106
Energy: 0.8640610238693001
Energy: 1.0379854195596359
Energy: 0.8889892992617632
Energy: 1.0379854195596359
Energy: 1.0024850805925967
Energy: 1.0543364450735444
Energy: 0.8769004332505745
Energy: 1.0543364450735444
Energy: 0.8747211580301665
Energy: 1.0577180473404315
Energy: 0.8676485714288884
Energy: 1.0577180473404315
Energy: 0.8639199138201149
Energy: 0.9466742402480278
Energy: 1.1138931140814228
Energy: 0.9466742402480278

minimum gb energy = 0.8639199138201149 eV
minimum distance =  2.3399262641239 Angstroms
sigma value = 17


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

Energy: 0.9569437866160808
Energy: 0.9565590228727885
Energy: 1.3270314202240412
Energy: 0.9565590228727885
Energy: 0.9702262333879144
Energy: 0.9696665284267317
Energy: 0.8722047396700102
Energy: 0.9696665284275718
Energy: 0.9658391726559543
Energy: 0.9518572411041964
Energy: 0.8724325145376222
Energy: 0.9518572411041964
Energy: 0.8734573809128037
Energy: 1.078518780482368
Energy: 0.9712598587441693
Energy: 1.0785187804832082
Energy: 0.9840584230039611
Energy: 0.9718402605809761
Energy: 0.9318409164916087
Energy: 0.9718402605818162
Energy: 0.8825269813234644
Energy: 0.9740520656526368
Energy: 1.2233501522632388
Energy: 0.9740520656517967
Energy: 0.8741477340062259
Energy: 0.9717633744028213
Energy: 0.9279554266226827
Energy: 0.9717633744036615
Energy: 0.9663822880454229
Energy: 0.9738764331711287
Energy: 0.880931857947254
Energy: 0.9738764331702886
Energy: 0.8841618880129369
Energy: 1.0029630363773472
Energy: 1.1157203807789893
Energy: 1.0029630363781872
Energy: 1.139706893671172
Energy: 0.9358267120523044
Energy: 0.8731584400687932
Energy: 0.9358267120531446
Energy: 0.8761189503974548
Energy: 0.9586501201536959
Energy: 1.2165292228184177
Energy: 0.9586501201528558
Energy: 0.9347617578658495
Energy: 0.9694866374887036
Energy: 0.9334798146247035
Energy: 0.9694866374895437
Energy: 1.1621812775546299
Energy: 0.9592564984020205
Energy: 0.9617129151551131
Energy: 0.9592564984020205
Energy: 0.8721784014960214
Energy: 1.0134000150070366
Energy: 0.9725801725546503
Energy: 1.0134000150070366
Energy: 0.9471859950076444
Energy: 1.007754637784116
Energy: 0.9339948319812533
Energy: 1.0077546377832758
Energy: 0.967248014587156
Energy: 0.9573331010472153
Energy: 0.9670958207972282
Energy: 0.9573331010472153
Energy: 0.9272851646412483
Energy: 1.0026113831577028
Energy: 1.1153903502984504
Energy: 1.0026113831585048
Energy: 1.0798328288313677
Energy: 0.9544197090593568
Energy: 0.8823740153227725
Energy: 0.9544197090585167
Energy: 0.9249413950158473
Energy: 1.0054398660404888
Energy: 0.9406271292423728
Energy: 1.0054398660404888
Energy: 0.9702539027713937
Energy: 1.078774698077286
Energy: 0.8751137867702562
Energy: 1.078774698077286
Energy: 0.9182374953979286
Energy: 0.9525507617366827
Energy: 0.9657181414061933
Energy: 0.9525507617358426
Energy: 0.9283546215688765
Energy: 1.029723907911781
Energy: 0.9922277434569362
Energy: 1.029723907912621
Energy: 1.1065300685149246
Energy: 0.9568810179385124
Energy: 0.871480154309851
Energy: 0.9568810179410328
Energy: 0.9370084709585924
Energy: 1.0059033010155005
Energy: 0.9670533493087589
Energy: 1.0059033010155005
Energy: 0.9715409635823523
Energy: 0.9538682337652529
Energy: 0.965325778668963
Energy: 0.953868233766933
Energy: 1.1491594669236702
Energy: 0.9565912055244837
Energy: 0.872727022831833
Energy: 0.9565912055429655
Energy: 0.9306050474558264
Energy: 1.094475450960222
Energy: 1.1571702791129292
Energy: 1.094475450960222
Energy: 0.9693425487687276
Energy: 0.9733485018459849
Energy: 0.9674850283024462
Energy: 0.9733485018476651
Energy: 1.0557843506206028
Energy: 0.95684132017346
Energy: 0.874560761958564
Energy: 0.9568413201172131
Energy: 0.8809095045618357
Energy: 1.0033080683157056
Energy: 1.042127330269098
Energy: 1.0033080683157056

minimum gb energy = 0.871480154309851 eV
minimum distance =  2.2448299664797 Angstroms
sigma value = 53


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

Energy: 0.799996743127221
Energy: 0.7992602786451658
Energy: 1.3719519945202023
Energy: 0.7992602786451658
Energy: 1.1071004704142617
Energy: 0.921974161795115
Energy: 0.8157342933830709
Energy: 0.921974161795115
Energy: 0.8164921398421495
Energy: 0.7995126884118867
Energy: 0.9313512268432709
Energy: 0.7995126884118867
Energy: 0.8163621874647305
Energy: 0.7992544365337201
Energy: 0.9187476384065616
Energy: 0.7992544365337201
Energy: 1.1065182755307856
Energy: 0.922109856413894
Energy: 0.8156180532975205
Energy: 0.922109856413894
Energy: 0.799996743127221
Energy: 0.7992602786451658
Energy: 1.203924590008126
Energy: 0.7992602786432318
Energy: 1.107100470416196
Energy: 0.921974161795115
Energy: 0.9193192704954959
Energy: 0.921974161795115
Energy: 0.8164921398421495
Energy: 0.7995126884118867
Energy: 1.0774801184966996
Energy: 0.7995126884118867
Energy: 0.8163621874647305
Energy: 0.7992544365337201
Energy: 0.9635843386262244
Energy: 0.7992544365337201
Energy: 1.1065182755307856
Energy: 0.922109856413894
Energy: 1.010200328071436
Energy: 0.922109856413894
Energy: 0.799996743127221
Energy: 0.7992602786432318
Energy: 1.2444839080434642
Energy: 0.7992602786451658
Energy: 1.107100470416196
Energy: 0.921974161795115
Energy: 0.9632389830913554
Energy: 0.921974161795115
Energy: 0.8164921398421495
Energy: 0.7995126884118867
Energy: 1.0774801184966996
Energy: 0.7995126884118867

minimum gb energy = 0.7992544365337201 eV
minimum distance =  2.31744254917539 Angstroms
sigma value = 9


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

Energy: 0.8961374007308085
Energy: 1.06067267013536
Energy: 1.3130532063069207
Energy: 1.06067267013536
Energy: 1.057194109090311
Energy: 0.9482284125749684
Energy: 0.9067028253860672
Energy: 0.9482284125749684
Energy: 0.901613689678802
Energy: 0.888777745318548
Energy: 0.8944271902468929
Energy: 0.8887777453192639
Energy: 1.0555167957011835
Energy: 1.0915785825132902
Energy: 0.9078136113445793
Energy: 1.0915785825132902
Energy: 1.0717758374650173
Energy: 0.9405040552873366
Energy: 0.9041619924333999
Energy: 0.9405040552866207
Energy: 0.8870790876883377
Energy: 0.8868183040490413
Energy: 1.2664690389923698
Energy: 0.8868183040483254
Energy: 1.216638007491477
Energy: 0.9375562900861236
Energy: 0.9068092240385288
Energy: 0.9375562900861236
Energy: 0.9064576084927248
Energy: 1.1079833310177611
Energy: 1.0677911417874042
Energy: 1.1079833310177611
Energy: 0.9202081529231401
Energy: 1.09910538245084
Energy: 0.8948306451408143
Energy: 1.09910538245084
Energy: 0.9025196004450527
Energy: 0.9451130711335028
Energy: 0.9082396129322252
Energy: 0.945113071132787
Energy: 0.9083174131577327
Energy: 1.1269082152072285
Energy: 1.271652574238307
Energy: 1.1269082152079444
Energy: 1.1249662779673562
Energy: 1.0729846116964366
Energy: 0.9066170901888577
Energy: 1.0729846116942892
Energy: 0.9047808780967667
Energy: 0.9768649409031153
Energy: 1.1907854820604702
Energy: 0.976864940903831
Energy: 1.2025620933726284
Energy: 1.1280860857405492
Energy: 0.9021910683339195
Energy: 1.1280860857405492
Energy: 0.9089586922086732
Energy: 1.0268335905680737
Energy: 1.0603051978274352
Energy: 1.0268335905680737
Energy: 0.9078850599926355
Energy: 1.1037754550269
Energy: 1.055860520498913
Energy: 1.103775455027616
Energy: 0.9934564594603414
Energy: 1.0270006837620378
Energy: 0.9088722917532643
Energy: 1.0270006837620378
Energy: 0.9091757544583255
Energy: 0.9377899471480142
Energy: 1.1752075912101696
Energy: 0.9377899471480142
Energy: 1.1665059522532686
Energy: 0.9781046783303989
Energy: 0.8893263541193679
Energy: 0.9781046783311147
Energy: 0.9046177289544686
Energy: 0.9539096396268646
Energy: 0.996502429619936
Energy: 0.9539096396261488
Energy: 1.0521575707073472
Energy: 1.0959281668793568
Energy: 1.0536234570455536
Energy: 1.0959281668786411
Energy: 1.003762079226713
Energy: 1.0311556511117557
Energy: 0.9040992189337587
Energy: 1.0311556511117557
Energy: 0.893537637182943
Energy: 1.018184621552247
Energy: 0.902927854427313
Energy: 1.0181846215536787
Energy: 1.3068582473355665
Energy: 0.982752618717889
Energy: 0.9059267911302508
Energy: 0.982752618528298
Energy: 0.9064075493985114
Energy: 1.1989484633924878
Energy: 1.221232664895625
Energy: 1.1989484633932037
Energy: 0.985611248087174
Energy: 0.8872217592719733
Energy: 0.9033501414841852
Energy: 0.8872217592705417
Energy: 1.0164454768694644
Energy: 1.0290611112164176
Energy: 1.0532010902746878
Energy: 1.0290611112164176
Energy: 0.8945923049020315
Energy: 1.091797601445497
Energy: 1.0530649415683684
Energy: 1.0917976014462127
Energy: 0.9664620265439763
Energy: 0.8865901736817957
Energy: 0.9020017945245423
Energy: 0.8865901736825115
Energy: 0.9057708995897823
Energy: 1.085469228895698
Energy: 1.2199215169047664
Energy: 1.0854692288942662
Energy: 1.2402476986578381
Energy: 1.07119615788357
Energy: 0.9052060640412682
Energy: 1.0711961578828542
Energy: 0.8868722092745857
Energy: 0.9389404810350441
Energy: 0.9193833686711815
Energy: 0.9389404810350441
Energy: 0.8871657638980882
Energy: 1.0307726848123449
Energy: 0.9018035789051345
Energy: 1.0307726848123449
Energy: 1.0599737717585616
Energy: 1.0921014958263147
Energy: 1.051077420883825
Energy: 1.0921014958263147
Energy: 0.9036781484107747
Energy: 1.0640109126384316
Energy: 1.2296853390347386
Energy: 1.0640109126384316

minimum gb energy = 0.8865901736817957 eV
minimum distance =  2.26546363362916 Angstroms
sigma value = 73


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

Energy: 0.8910403221963675
Energy: 0.8902295958330377
Energy: 1.3942855746663414
Energy: 0.8902295958330377
Energy: 0.948351644557074
Energy: 0.9778636840166052
Energy: 0.9198620252534531
Energy: 0.9778636840166052
Energy: 0.9190327379677491
Energy: 1.0738517830424563
Energy: 0.9011753612634525
Energy: 1.0738517830424563
Energy: 0.9169228612063834
Energy: 0.9790423541586919
Energy: 0.9199318473714662
Energy: 0.9790423541586919
Energy: 0.9424014700049942
Energy: 0.963387524182143
Energy: 0.9256328971018916
Energy: 0.963387524182143
Energy: 0.9237847665259211
Energy: 1.0726076730822016
Energy: 1.2126496542627145
Energy: 1.0726076730822016
Energy: 1.2128208214109402
Energy: 1.1439426321354393
Energy: 0.920741669432473
Energy: 1.1439426321343034
Energy: 0.9178366940786882
Energy: 0.8898617522907742
Energy: 1.1947013139378164
Energy: 0.8898617522907742
Energy: 1.208884081320024
Energy: 0.8907587408718719
Energy: 0.889703621266559
Energy: 0.8907587408718719
Energy: 0.9194534299511019
Energy: 0.9716974058258449
Energy: 0.9192497307748159
Energy: 0.9716974058258449
Energy: 0.91551031459909
Energy: 1.07256545624368
Energy: 1.1928086982531259
Energy: 1.07256545624368
Energy: 1.05309726333539
Energy: 0.9891843643189578
Energy: 0.915810098031074
Energy: 0.9891843643189578
Energy: 0.9198232002510769
Energy: 0.9627741695825444
Energy: 1.1138416916535887
Energy: 0.9627741695825444
Energy: 1.2266343928680836
Energy: 0.9636154972533524
Energy: 0.9236850841512604
Energy: 0.9636154972522166
Energy: 0.9169370971339698
Energy: 0.9385915265256786
Energy: 1.0713173635753266
Energy: 0.9385915265256786
Energy: 1.1917166084780781
Energy: 0.8906066528948182
Energy: 0.9174136919835457
Energy: 0.8906066528948182
Energy: 0.8901476012311811
Energy: 0.9196067330317619
Energy: 0.9227076721225919
Energy: 0.9196067330317619
Energy: 0.8901189727856715
Energy: 0.8911616791636027
Energy: 0.9193002343823421
Energy: 0.8911616791636027
Energy: 1.0503001241092846
Energy: 0.8905286294699047
Energy: 0.9154870078544144
Energy: 0.8905286294710404
Energy: 0.9197392648016282
Energy: 0.9382027499718038
Energy: 1.211784129494067
Energy: 0.9382027499718038
Energy: 1.3148410915736088
Energy: 0.9090743490950459
Energy: 0.9228712397461419
Energy: 0.9090743490950459
Energy: 0.9198246220927041
Energy: 0.9608366559299759
Energy: 1.010620502253842
Energy: 0.9608366559288402

minimum gb energy = 0.889703621266559 eV
minimum distance =  2.28103675365426 Angstroms
sigma value = 7


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

Energy: 0.9159043602789011
Energy: 0.9151061843059926
Energy: 1.3613954721700494
Energy: 0.9151061843067956
Energy: 1.2161002118163355
Energy: 0.994198544560459
Energy: 0.9281467781270887
Energy: 0.994198544561262
Energy: 0.9139419635977324
Energy: 1.0603764855571347
Energy: 0.9145334829541443
Energy: 1.0603764855571347
Energy: 0.9846166141855547
Energy: 0.9784225366356399
Energy: 0.943853008157054
Energy: 0.9784225366364431
Energy: 0.9261138300010479
Energy: 0.9697194431610031
Energy: 0.9536153917353186
Energy: 0.9697194431610031
Energy: 0.9168256453809787
Energy: 0.9157792441712175
Energy: 1.167466894458081
Energy: 0.9157792441704146
Energy: 1.0617115652665283
Energy: 1.0825093262708674
Energy: 0.9554395291353924
Energy: 1.0825093262708674
Energy: 0.9170667173021153
Energy: 0.9177039683494909
Energy: 1.216076035362421
Energy: 0.9177039683494909
Energy: 1.1292450173887179
Energy: 0.9698203593225058
Energy: 0.9362589146077864
Energy: 0.9698203593225058
Energy: 0.9233712793583626
Energy: 1.0095249705266833
Energy: 1.0249106189786001
Energy: 1.0095249705258802
Energy: 0.9534046382556298
Energy: 1.0622784807635872
Energy: 0.9796014668619504
Energy: 1.0622784807635872
Energy: 0.917302001603539
Energy: 0.9700906374832845
Energy: 0.9790262357497379
Energy: 0.9700906374832845
Energy: 0.9153020679382066
Energy: 0.9160908461036903
Energy: 0.9818388981253949
Energy: 0.9160908461044933
Energy: 0.9483984836003845
Energy: 0.9120435442931752
Energy: 0.9789859192171285
Energy: 0.9120435442931752
Energy: 0.9220996477367925
Energy: 1.0892095738885004
Energy: 1.0549440509536379
Energy: 1.0892095738876975
Energy: 1.3321841887361745
Energy: 0.9114385904084839
Energy: 0.9200313059611607
Energy: 0.9114385904084839
Energy: 0.9382052758123384
Energy: 0.9878290871593678
Energy: 1.182955836314847
Energy: 0.9878290871585648
Energy: 0.9141650942983683
Energy: 1.0947926438819235
Energy: 0.9590638286205599
Energy: 1.0947926438819235
Energy: 0.9373598853671787
Energy: 1.0616802377121863
Energy: 0.9588561588627741
Energy: 1.0616802377121863
Energy: 0.9234547130423286
Energy: 0.9694107273760226
Energy: 0.9783731200810495
Energy: 0.9694107273752196
Energy: 0.9586313188068508
Energy: 1.0638555393999758
Energy: 0.922645910344601
Energy: 1.0638555393999758
Energy: 0.9239933392610978
Energy: 1.0649056564288557
Energy: 1.053663236613483
Energy: 1.0649056564288557
Energy: 1.1633373757792742
Energy: 1.0213078391258734
Energy: 0.9793080267971705
Energy: 1.0213078391258734
Energy: 0.9197427066148893
Energy: 0.9167865222271876
Energy: 1.1798333909018595
Energy: 0.9167865222263846
Energy: 0.9625853408778273
Energy: 0.9701445944222026
Energy: 0.9523394752572718
Energy: 0.9701445944238087
Energy: 0.984485908292283
Energy: 1.0620589659592958
Energy: 0.948773704409806
Energy: 1.0620589659584927
Energy: 0.9264545234246468
Energy: 1.009982572066588
Energy: 1.0211839526728215
Energy: 1.0099825720673912
Energy: 1.0076081396916643
Energy: 0.9869918906463562
Energy: 0.9438650346646826
Energy: 0.9869918906463562
Energy: 0.9129619310672318
Energy: 0.9161400302464668
Energy: 1.1134095034454545
Energy: 0.9161400302472699
Energy: 1.1658212505706835
Energy: 0.9379054575033136
Energy: 0.927872701294394
Energy: 0.9379054575025106
Energy: 0.9129735959185143
Energy: 0.9159903912969644
Energy: 1.1943345244109198
Energy: 0.9159903912977675

minimum gb energy = 0.9114385904084839 eV
minimum distance =  2.26606432973595 Angstroms
sigma value = 29


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

Energy: 0.8683638399994555
Energy: 0.8625399990066425
Energy: 1.3227429665497323
Energy: 0.8625399990063627
Energy: 0.838166957599325
Energy: 0.8380138270566337
Energy: 0.8663240709274688
Energy: 0.838013827057162
Energy: 1.021299141244362
Energy: 0.9130869539730677
Energy: 1.0293316353027473
Energy: 0.9130869539733476
Energy: 0.866507991323989
Energy: 0.8968098564731045
Energy: 0.8380292790694983
Energy: 0.8968098564731045
Energy: 0.868841829589924
Energy: 0.897340409918919
Energy: 0.9486772669072087
Energy: 0.8973404099191988
Energy: 0.861542534035576
Energy: 0.9145085015699826
Energy: 0.8617279921177805
Energy: 0.9145085015699826
Energy: 0.9511128168989299
Energy: 0.897300376163155
Energy: 0.8688102517539765
Energy: 0.8973003761634347
Energy: 0.8382080307037114
Energy: 0.8969290793882411
Energy: 0.8665639777149428
Energy: 0.896929079387433
Energy: 1.029247231545392
Energy: 0.9133697711461841
Energy: 1.02128662315799
Energy: 0.9133697711461841

minimum gb energy = 0.8380138270566337 eV
minimum distance =  2.30665011955314 Angstroms
sigma value = 5


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

Energy: 0.8894918506743036
Energy: 0.8848256192601653
Energy: 1.348896727453435
Energy: 0.884825619260924
Energy: 0.9961421593417007
Energy: 0.8662791785891677
Energy: 0.8712435143453576
Energy: 0.8662791785891677
Energy: 0.8639395865949879
Energy: 0.8839699333192873
Energy: 1.0237834010376303
Energy: 0.8839699333192873
Energy: 0.9058497115711291
Energy: 0.92863526136503
Energy: 0.876465144305267
Energy: 0.92863526136503
Energy: 0.8801777573961298
Energy: 0.9336318492653626
Energy: 1.061750438982251
Energy: 0.9336318492653626
Energy: 0.9056152306518244
Energy: 0.8877500836497988
Energy: 0.8666685482312659
Energy: 0.8877500836497988
Energy: 0.8724004648719317
Energy: 0.9373786471078013
Energy: 0.8670890882982575
Energy: 0.9373786471078013
Energy: 0.8711563848969782
Energy: 0.888358002135519
Energy: 0.8649104315488907
Energy: 0.888358002135519
Energy: 0.8772795868064373
Energy: 1.0154513259432145
Energy: 0.8670453981444755
Energy: 1.0154513259432145
Energy: 0.877253521788401
Energy: 0.9292068985064468
Energy: 0.8691914171652018
Energy: 0.9292068985056882
Energy: 0.8777455346231746
Energy: 0.9302452108338783
Energy: 0.8639858384169893
Energy: 0.9302452108331198
Energy: 0.8828248962273683
Energy: 0.9053386598707226
Energy: 0.9579845947118979
Energy: 0.9053386598714811
Energy: 0.9602262471162221
Energy: 0.8871293777178806
Energy: 0.8896441786452748
Energy: 0.8871293777171221
Energy: 0.8726113869671143
Energy: 0.8871483229432434
Energy: 1.0267280786542656
Energy: 0.8871483229432434
Energy: 1.071595928116014
Energy: 0.8595242804711319
Energy: 0.8639223015892179
Energy: 0.8595242804718904
Energy: 0.8743504976116722
Energy: 0.8792039218506972
Energy: 0.9370464004760013
Energy: 0.8792039218514557
Energy: 1.0092748842768302
Energy: 0.8679922583202614
Energy: 0.8877833716075564
Energy: 0.8679922583179857
Energy: 0.8696962724521259
Energy: 0.8873644140293062
Energy: 0.974902848586639
Energy: 0.8873644140300648
Energy: 0.8925417879956569
Energy: 0.9386256010913688
Energy: 0.8692176685380716
Energy: 0.9386256010906103
Energy: 0.8631745072846159
Energy: 0.9817998680670756
Energy: 0.8802889413051351
Energy: 0.9817998680678341
Energy: 0.8772930168770062
Energy: 0.9273301952264513
Energy: 0.8754514567376779
Energy: 0.9273301952264513
Energy: 0.8807412132585936
Energy: 0.930536728599689
Energy: 0.8705986909976169
Energy: 0.9305367285989304
Energy: 0.8713859924464242
Energy: 0.927778301510396
Energy: 0.8624435243895627
Energy: 0.9277783015111546
Energy: 0.955046267168411
Energy: 0.9253316979790045
Energy: 0.8636430487936404
Energy: 0.925331697979763
Energy: 0.9617133247806346
Energy: 0.8794683052398742
Energy: 0.8800364667391471
Energy: 0.8794683052398742
Energy: 0.8770916780603213
Energy: 0.8873918612607542
Energy: 0.8659615148126869
Energy: 0.8873918612599955
Energy: 0.8757573127722711
Energy: 0.8579673996288667
Energy: 0.965522582334958
Energy: 0.8579673996288667
Energy: 0.8967527717181467
Energy: 0.8639270858943431
Energy: 0.8731908642591506
Energy: 0.8639270858943431
Energy: 0.8767211367277923
Energy: 0.8639834982311182
Energy: 1.1576064072202206
Energy: 0.8639834982303597
Energy: 0.9583226469050468
Energy: 0.8866359368300225
Energy: 0.8695042515995981
Energy: 0.8866359368300225
Energy: 0.8691833906427839
Energy: 0.8808784993834471
Energy: 0.9815824036755502
Energy: 0.8808784993834471
Energy: 1.009813984857007
Energy: 0.9333766865367604
Energy: 0.880321588445524
Energy: 0.9333766865360019
Energy: 0.8772493158825212
Energy: 0.9299845998022538
Energy: 0.9302946202620513
Energy: 0.9299845998022538

minimum gb energy = 0.8579673996288667 eV
minimum distance =  2.27710278413863 Angstroms
sigma value = 1


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

Energy: 0.8541947360583708
Energy: 0.8541301539763354
Energy: 1.1368892040889576
Energy: 0.8541301539763354
Energy: 1.0799950539855456
Energy: 0.8208194805856425
Energy: 0.8354991839018441
Energy: 0.8208194805856425
Energy: 0.8238372623990392
Energy: 0.8544324479143073
Energy: 0.9564270282523417
Energy: 0.8544324479153561
Energy: 0.8354213553862095
Energy: 0.9094476261597021
Energy: 0.8263102510257366
Energy: 0.9094476261597021
Energy: 0.8239800990933633
Energy: 0.8478720563551337
Energy: 1.0081842086099588
Energy: 0.8478720563551337
Energy: 0.8251642991132708
Energy: 0.9112232185469253
Energy: 0.8258815685060149
Energy: 0.9112232185479742
Energy: 0.8242331207529248
Energy: 0.9345650530960845
Energy: 0.897899822453339
Energy: 0.9345650530960845
Energy: 0.8240347005924197
Energy: 0.9082348768221867
Energy: 0.9053619667407107
Energy: 0.9082348768221867
Energy: 0.8535130586739592
Energy: 0.8495328047321482
Energy: 0.8707469604435646
Energy: 0.8495328047321482
Energy: 0.8533842987550438
Energy: 0.8493533561255974
Energy: 0.8611961705855252
Energy: 0.8493533561255974
Energy: 0.8200509170994416
Energy: 0.9084140900243386
Energy: 0.9054901871474873
Energy: 0.9084140900232898
Energy: 0.8239128268311783
Energy: 0.9344714028963579
Energy: 0.8346798071496244
Energy: 0.9344714028963579
Energy: 0.8250534020460356
Energy: 0.9111124061983379
Energy: 0.8262578723315237
Energy: 0.9111124061983379
Energy: 0.8244900428602061
Energy: 0.8477766722137483
Energy: 0.9477674281132
Energy: 0.8477766722137483
Energy: 0.8354130413603948
Energy: 0.9100131357503506
Energy: 0.8259813996451816
Energy: 0.9100131357503506
Energy: 0.8240028759176097
Energy: 0.85393267219805
Energy: 0.9399802089670725
Energy: 0.85393267219805
Energy: 1.0804358800916396
Energy: 0.8208644132271395
Energy: 0.8355115454252801
Energy: 0.8208644132271395
Energy: 0.8541947360583708
Energy: 0.8541301539763354
Energy: 1.1070735063322974
Energy: 0.8541301539763354
Energy: 1.0799950539855456
Energy: 0.8208194805856425
Energy: 0.8354991839018441
Energy: 0.8208194805856425
Energy: 0.8238372623990392
Energy: 0.8544324479143073
Energy: 1.1925087722897973
Energy: 0.8544324479143073
Energy: 0.8354213552415383
Energy: 0.9094476261597021
Energy: 0.8263102510257366
Energy: 0.9094476261597021
Energy: 0.8239800990923145
Energy: 0.8478720563561826
Energy: 0.995006486018629
Energy: 0.8478720563551337
Energy: 0.8251642991143197
Energy: 0.9112232185469253
Energy: 0.8258815685060149
Energy: 0.9112232185469253
Energy: 0.8242331207529248
Energy: 0.9345650530960845
Energy: 0.8828563165395124
Energy: 0.9345650530960845

minimum gb energy = 0.8200509170994416 eV
minimum distance =  2.28314266968611 Angstroms
sigma value = 17


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

Energy: 0.9075057286562186
Energy: 0.8506460744988448
Energy: 1.1020512523557533
Energy: 0.850646074499493
Energy: 0.9841863045080785
Energy: 0.8352769245549275
Energy: 0.8334043540813219
Energy: 0.8352769245542792
Energy: 0.8306923564865067
Energy: 0.8439928107226602
Energy: 1.0072514988639159
Energy: 0.8439928107220119
Energy: 0.9205508097790965
Energy: 0.8313444282107756
Energy: 0.836833233358358
Energy: 0.8313444282114238
Energy: 0.8361802543406675
Energy: 0.8478847804855221
Energy: 1.079825579080754
Energy: 0.8478847804868187
Energy: 0.8283104261327474
Energy: 0.8306306438919598
Energy: 0.8466150095806431
Energy: 0.8306306438887183
Energy: 0.8370956512789957
Energy: 0.8925447847251247
Energy: 0.9453260490288472
Energy: 0.8925447847244764
Energy: 0.8270215292205347
Energy: 1.0108383234651097
Energy: 0.829819059243838
Energy: 1.010838323465758
Energy: 0.9112173650280523
Energy: 0.88189348529984
Energy: 0.8884606869176994
Energy: 0.88189348529984
Energy: 0.9096878103675151
Energy: 0.8818177345549129
Energy: 0.8415982047848617
Energy: 0.8818177345542646
Energy: 0.83793808228695
Energy: 0.8682263296558901
Energy: 0.8371643904696249
Energy: 0.8682263296565382
Energy: 0.8379981032119663
Energy: 0.8876173227273563
Energy: 0.8401739854046087
Energy: 0.8876173227273563
Energy: 0.8289830817386221
Energy: 0.8324684588029942
Energy: 0.8327373281785152
Energy: 0.832468458823032
Energy: 0.8430317075518299
Energy: 0.9045471483347322
Energy: 0.925321331280192
Energy: 0.9045471483353805
Energy: 0.8443118125293478
Energy: 0.8814385511731052
Energy: 0.8590506216579905
Energy: 0.8814385511737534
Energy: 0.8289871243309154
Energy: 0.8447027192719642
Energy: 0.9996945394884061
Energy: 0.8447027192719642
Energy: 0.9114935153947484
Energy: 0.827853585066624
Energy: 0.8329370050645567
Energy: 0.8278535850685689
Energy: 0.831667459872251
Energy: 0.8517102157695343
Energy: 0.8828546363789086
Energy: 0.8517102157688861
Energy: 0.988523399190364
Energy: 0.8296992468761809
Energy: 0.8312808580680464
Energy: 0.8296992468748843
Energy: 0.8412346555754532
Energy: 0.8416530612319922
Energy: 0.9593404166930791
Energy: 0.8416530612326405
Energy: 0.9171459375159259
Energy: 0.8372878539031785
Energy: 0.8369819845486872
Energy: 0.8372878539038268
Energy: 0.8459497866671438
Energy: 0.85250477689662
Energy: 0.8686994336104575
Energy: 0.8525047768979166
Energy: 0.9268540412938202
Energy: 0.8326890522165585
Energy: 0.8443699909205027
Energy: 0.8326890522178552
Energy: 0.8401107022769037
Energy: 0.8371448204314159
Energy: 1.0220568550308142
Energy: 0.8371448204314159
Energy: 0.8448132082333994
Energy: 0.8521581751599222
Energy: 0.8341916758061049
Energy: 0.8521581751579773
Energy: 0.8475647687815715
Energy: 0.9051304017663573
Energy: 0.933507049788891
Energy: 0.9051304017663573
Energy: 0.9530104802620055
Energy: 0.8782716621539944
Energy: 0.8300330375870687
Energy: 0.8782716621539944
Energy: 0.9189006670018559
Energy: 0.9884250943993137
Energy: 0.8393757773511247
Energy: 0.988425094399962
Energy: 0.9208667076226028
Energy: 0.904294782339637
Energy: 0.8397389963000474
Energy: 0.9042947823409335
Energy: 0.847017783077277
Energy: 0.875882001837944
Energy: 0.8676348131067478
Energy: 0.875882001837944
Energy: 0.8375570876784467
Energy: 0.9036390312482583
Energy: 0.8404047328224504
Energy: 0.9036390312482583
Energy: 0.843105635894555
Energy: 0.8684192499601665
Energy: 0.8395428614794914
Energy: 0.8684192499595182
Energy: 0.8298087274108269
Energy: 0.8810111993202634
Energy: 0.9601021773032404
Energy: 0.8810111993209117
Energy: 0.9011835235670329
Energy: 0.893747257450493
Energy: 0.8498218678359313
Energy: 0.893747257450493
Energy: 0.8285761537580179
Energy: 0.8528062031853441
Energy: 0.8443161677799936
Energy: 0.8528062031853441
Energy: 0.9030334748441744
Energy: 0.8960543987091232
Energy: 0.8490400470923298
Energy: 0.8960543987091232
Energy: 0.8420911783951492
Energy: 0.8316416558509259
Energy: 0.9678773592175246
Energy: 0.8316416558483328
Energy: 1.0454041856848404
Energy: 0.8518956687930341
Energy: 0.8407728662950547
Energy: 0.8518956687917375

minimum gb energy = 0.8270215292205347 eV
minimum distance =  2.26999181661335 Angstroms
sigma value = 89


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

Energy: 0.75567337879441
Energy: 0.7555886461736611
Energy: 1.122705099039768
Energy: 0.7555886461736611
Energy: 0.7645277433669794
Energy: 0.7750437833526487
Energy: 0.7668663457692158
Energy: 0.7750437833526487
Energy: 0.7654357220626556
Energy: 0.8084079588584303
Energy: 1.3087856075908029
Energy: 0.8084079588584303
Energy: 0.7596921496172889
Energy: 0.7750163010336689
Energy: 0.766909874211131
Energy: 0.7750163010336689
Energy: 0.7645522838903568
Energy: 0.7565162223075871
Energy: 0.8248417076115048
Energy: 0.7565162223075871
Energy: 0.7647955897630745
Energy: 0.7562724644980758
Energy: 0.7582161984638283
Energy: 0.7562724644980758
Energy: 0.7655020458694358
Energy: 0.8858523001565629
Energy: 0.7557964967393476
Energy: 0.8858523001565629
Energy: 0.7795476538443643
Energy: 0.8075447470386986
Energy: 0.7668525918614024
Energy: 0.8075447470386986
Energy: 0.7646728804185059
Energy: 0.8339331854230337
Energy: 0.7615974834421086
Energy: 0.8339331854230337
Energy: 0.7752961652583419
Energy: 0.7561289139505866
Energy: 0.7580933770158397
Energy: 0.7561289139505866
Energy: 0.7554044701500158
Energy: 0.7756200840152208
Energy: 0.7646473900723412
Energy: 0.7756200840152208
Energy: 0.7554166220587475
Energy: 0.8869666114773745
Energy: 0.7669344181831415
Energy: 0.8869666114773745
Energy: 0.7646103416014399
Energy: 0.7559310733098801
Energy: 0.7774137140913215
Energy: 0.7559310733098801
Energy: 0.7646509364640325
Energy: 0.8326886416463986
Energy: 0.7646683571916804
Energy: 0.8326886416463986
Energy: 0.7616422577663251
Energy: 0.7557785766980946
Energy: 0.766494288594417
Energy: 0.7557785766980946

minimum gb energy = 0.7554044701500158 eV
minimum distance =  2.29543139724208 Angstroms
sigma value = 13


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

Energy: 0.8171447991815871
Energy: 0.7555445960751694
Energy: 1.268204156954438
Energy: 0.7555445960751694
Energy: 1.0967925248989823
Energy: 0.8128760043624308
Energy: 0.7451849126815441
Energy: 0.8128760043453679
Energy: 0.7515591889297036
Energy: 0.7463009238735048
Energy: 0.9096803325916938
Energy: 0.7463009238742158
Energy: 0.7507348528244138
Energy: 0.8116952759293655
Energy: 0.7451462484586785
Energy: 0.8116952759293655
Energy: 0.7551142921506081
Energy: 0.8027746153165364
Energy: 0.9940013591779027
Energy: 0.8027746153151145
Energy: 0.7688056915238995
Energy: 0.8128057598704639
Energy: 0.8023882881673908
Energy: 0.8128057598768624
Energy: 0.7527781477348221
Energy: 0.7530082493693052
Energy: 1.0875635322061097
Energy: 0.7530082493700161
Energy: 0.7485824455919285
Energy: 0.8128982543909299
Energy: 0.8022671667583466
Energy: 0.812898254594198
Energy: 0.753838989706705
Energy: 0.8096848082679673
Energy: 0.9764727696453742
Energy: 0.8096848082672563
Energy: 0.8950674453345535
Energy: 0.81608885225303
Energy: 0.7452080887475315
Energy: 0.816088852252319
Energy: 0.756684058784923
Energy: 0.8134383341335196
Energy: 0.834587173931347
Energy: 0.8134383341328085
Energy: 1.0118394360244256
Energy: 0.8125900152147933
Energy: 0.7405652924334097
Energy: 0.8125900152140825
Energy: 0.7717076037921508
Energy: 0.7505414877942326
Energy: 0.7584128231855232
Energy: 0.7505414877949435
Energy: 0.9675213403851248
Energy: 0.8130360767349232
Energy: 0.7445375082822506
Energy: 0.8130360767342123
Energy: 0.7567156773704726
Energy: 0.7457128703654352
Energy: 0.7483005657892378
Energy: 0.7457128703654352
Energy: 0.7915287732188413
Energy: 0.8134554078037836
Energy: 0.7531010588622509
Energy: 0.8134554078037836
Energy: 0.7513359015284983
Energy: 0.795950854903997
Energy: 0.7500603748279017
Energy: 0.795950854903997
Energy: 0.7694848297879707
Energy: 0.8008347049050293
Energy: 0.8105158421982485
Energy: 0.8008347049050293
Energy: 0.7498284957650642
Energy: 0.7536752003240809
Energy: 0.8108324232865366
Energy: 0.7536752003240809
Energy: 0.7492881958476879
Energy: 0.8005655869678903
Energy: 0.810601113231093
Energy: 0.8005655869671793
Energy: 0.7659063455175575
Energy: 0.8084116228275717
Energy: 0.8105217109643266
Energy: 0.8084116228268607
Energy: 0.7495260632463708
Energy: 0.880953016191325
Energy: 0.7531542416653292
Energy: 0.880953016191325
Energy: 0.8135620666964651
Energy: 0.8132358525170454
Energy: 0.7500507390099405
Energy: 0.8132358525177564
Energy: 0.7562888859528034
Energy: 0.7459586229581565
Energy: 0.7674585844775277
Energy: 0.7459586229567347
Energy: 1.0168930377842378
Energy: 0.8128164629577216
Energy: 0.7410409383498313
Energy: 0.8128164629577216
Energy: 0.8258748164519439
Energy: 0.8957965303785327
Energy: 0.7796941769922991
Energy: 0.8957965303785327
Energy: 0.960441555111073
Energy: 0.8126889593141134
Energy: 0.7412754850243533
Energy: 0.8126889593141134
Energy: 0.7582652890896683
Energy: 0.8143741271490604
Energy: 0.8240525907406971
Energy: 0.8143741271490604
Energy: 0.823587420811349
Energy: 0.8996249009881522
Energy: 0.7430750881589608
Energy: 0.8996249009888632
Energy: 0.7554186735178401
Energy: 0.8033152496595007
Energy: 1.0129044322112082
Energy: 0.8033152496609225
Energy: 0.74954870480146
Energy: 0.8607821464150985
Energy: 0.8022568675066748
Energy: 0.8607821458571939
Energy: 0.7531992907033904
Energy: 0.8908990933557819
Energy: 1.0830757073849415
Energy: 0.890899093356493
Energy: 0.7543916448390596
Energy: 0.7607339970286264
Energy: 0.8024207364524228
Energy: 0.7607339970286264
Energy: 0.7526894365064843
Energy: 0.8839249006060227
Energy: 0.8317378290065682
Energy: 0.8839249006060227
Energy: 0.8081378585124481
Energy: 0.860537429072398
Energy: 0.7430714366397283
Energy: 0.8605374290759529

minimum gb energy = 0.7405652924334097 eV
minimum distance =  2.24790707537435 Angstroms
sigma value = 37


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

Energy: 0.7025298603625839
Energy: 0.7017766066869613
Energy: 1.2355204906106183
Energy: 0.7017766066869613
Energy: 1.0247695508040362
Energy: 0.7014416470075615
Energy: 0.6799819090892646
Energy: 0.7014416470075615
Energy: 0.6739869823696355
Energy: 0.7972484752905266
Energy: 1.2245724329112884
Energy: 0.7972484752905266
Energy: 0.6790327095801969
Energy: 0.7062980615876011
Energy: 0.6800084890700282
Energy: 0.7062980615876011
Energy: 0.6789395176554289
Energy: 0.7015469447725077
Energy: 0.735914480494018
Energy: 0.7015469447725077
Energy: 0.6780175491626065
Energy: 0.7013861046156995
Energy: 0.6763218843142003
Energy: 0.7013861046156995
Energy: 0.6802553286833787
Energy: 0.7317259142483536
Energy: 0.8591113090778632
Energy: 0.7317259142471305
Energy: 0.6790462658992069
Energy: 0.7020990847442493
Energy: 0.7034930262990426
Energy: 0.7020990847442493
Energy: 0.6791302533216443
Energy: 0.7014402119534109
Energy: 0.9625770938535176
Energy: 0.7014402119534109
Energy: 0.9706581248299534
Energy: 0.7964227369019153
Energy: 0.6764802307119139
Energy: 0.7964227369019153
Energy: 0.6806370390064923
Energy: 0.7316792045565572
Energy: 0.6745449817984014
Energy: 0.7316792045565572
Energy: 0.8805710576948718
Energy: 0.7019658839113655
Energy: 0.6804409968348825
Energy: 0.7019658839113655
Energy: 0.67980250252309
Energy: 0.7022615985143061
Energy: 0.6931159525920296
Energy: 0.7022615985143061
Energy: 0.8603369378131605
Energy: 0.7315417895552984
Energy: 0.6788268285031981
Energy: 0.7315417899942219
Energy: 0.7014635940284482
Energy: 0.7321142520354131
Energy: 0.6789112135620134
Energy: 0.7321142520354131
Energy: 0.7018751345359604
Energy: 0.7017128806928461
Energy: 0.6800050831537777
Energy: 0.7017128806928461
Energy: 0.6797438250893244
Energy: 0.7869909465280783
Energy: 0.677655493216185
Energy: 0.7869909465280783
Energy: 0.6740292841359171
Energy: 0.8133979732367177
Energy: 0.6786577645625111
Energy: 0.8133979732367177
Energy: 0.6805711003891411
Energy: 0.7029827138253739
Energy: 0.6788702688303372
Energy: 0.7029827138253739
Energy: 0.6745285321815273
Energy: 0.7019844115915655
Energy: 0.6739172734576079
Energy: 0.7019844115915655

minimum gb energy = 0.6739172734576079 eV
minimum distance =  2.31413347542802 Angstroms
sigma value = 25


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

Energy: 0.6521987687718739
Energy: 0.6208545957544694
Energy: 1.1492416764183635
Energy: 0.6208545957544694
Energy: 1.0146879142308811
Energy: 0.6337097193090736
Energy: 0.6241773527978705
Energy: 0.6337097193100287
Energy: 0.618283701758321
Energy: 0.6182499054437659
Energy: 1.1117965828268916
Energy: 0.6182499054437659
Energy: 0.7517758243986382
Energy: 0.634032216454366
Energy: 0.6240727526872657
Energy: 0.6340322164505454
Energy: 0.6231530497068263
Energy: 0.633406872025462
Energy: 0.6518624947651338
Energy: 0.633406872025462
Energy: 0.610037880516169
Energy: 0.633899210690403
Energy: 0.6240888858158907
Energy: 0.633899210690403
Energy: 0.6237452906707404
Energy: 0.6182754196048273
Energy: 0.7513288553354289
Energy: 0.6182754196048273
Energy: 0.6082546142154565
Energy: 0.651235058190005
Energy: 0.6196857081283735
Energy: 0.651235058190005
Energy: 0.6226560629535784
Energy: 0.6333595261543138
Energy: 0.9459515982848868
Energy: 0.6333595261552688
Energy: 0.6061382960846196
Energy: 0.6210668983867386
Energy: 0.6531472775320061
Energy: 0.6210668983867386
Energy: 0.623651263476555
Energy: 0.6179788478960134
Energy: 0.8896880625113771
Energy: 0.6179788478950584
Energy: 0.8491246008947542
Energy: 0.8033147634897081
Energy: 0.6196779300836306
Energy: 0.803314763488753
Energy: 0.6227039175981868
Energy: 0.6333589824498465
Energy: 0.8311282418805532
Energy: 0.6333589824498465
Energy: 0.8121603688365592
Energy: 0.6906009655289944
Energy: 0.6243789187864347
Energy: 0.6906009655289944
Energy: 0.6236162508927497
Energy: 0.61810505702164
Energy: 0.6087781759072145
Energy: 0.6181050570206849
Energy: 0.7961639307101912
Energy: 0.7241014064362897
Energy: 0.6222858900431935
Energy: 0.7241014064362897
Energy: 0.6230913924315551
Energy: 0.6510609140673694
Energy: 0.6140216910862226
Energy: 0.6510609140673694
Energy: 0.7702828675953636
Energy: 0.6335634191552458
Energy: 0.6217351788782823
Energy: 0.6335634191552458
Energy: 0.6562999536436905
Energy: 0.6183569446833077
Energy: 0.6090417924559641
Energy: 0.6183569446833077
Energy: 0.8899339115137208
Energy: 0.7215355366705428
Energy: 0.6224416797744265
Energy: 0.7215355366705428
Energy: 0.6230250956202626
Energy: 0.718997978955372
Energy: 0.6081855838908419
Energy: 0.7189979789582375
Energy: 0.6185456892547649
Energy: 0.6333740732137821
Energy: 0.6237931940496303
Energy: 0.6333740732147373
Energy: 0.6236964540975267
Energy: 0.6850104865764746
Energy: 0.816549066797597
Energy: 0.6850104865764746
Energy: 0.6056205095204215
Energy: 0.72146641345533
Energy: 0.621981050368863
Energy: 0.7214664134562854
Energy: 0.6219051005459761
Energy: 0.719086686233485
Energy: 0.7958289621431758
Energy: 0.7190866862344402
Energy: 0.605550170038824
Energy: 0.6514037806328895
Energy: 0.6243118375515466
Energy: 0.6514037806328895

minimum gb energy = 0.605550170038824 eV
minimum distance =  2.31881104726271 Angstroms
sigma value = 41


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

Energy: 0.7820270317163018
Energy: 0.577146948188712
Energy: 1.0913030457243116
Energy: 0.5771469481879291
Energy: 1.0174607878962887
Energy: 0.5659617153972131
Energy: 0.5606970343963376
Energy: 0.5659617153972131
Energy: 0.5761475758869793
Energy: 0.5586500709765799
Energy: 1.0243958145320968
Energy: 0.5586500709757969
Energy: 0.7774652875122998
Energy: 0.5664372488378264
Energy: 0.5606211426424415
Energy: 0.5664372488362603
Energy: 0.5572444809941458
Energy: 0.6917289663275922
Energy: 0.5713545155614759
Energy: 0.6917289663283751
Energy: 0.6688664928955791
Energy: 0.566520451268997
Energy: 0.5606552017879057
Energy: 0.56652045126978
Energy: 0.559909257788069
Energy: 0.5664397969782059
Energy: 0.5918952796008231
Energy: 0.566439796979772
Energy: 0.5521977937070817
Energy: 0.5767721510650438
Energy: 0.5578159675091338
Energy: 0.5767721510650438
Energy: 0.5627277452789861
Energy: 0.5778879395133332
Energy: 0.7496032000454556
Energy: 0.5778879395141163
Energy: 0.5528854575848825
Energy: 0.558958856239924
Energy: 0.5765475185433394
Energy: 0.5589588562391409
Energy: 0.5599515200979895
Energy: 0.5662549635880845
Energy: 0.8923415223308863
Energy: 0.5662549635873014
Energy: 0.5510963783526774
Energy: 0.5773446365740804
Energy: 0.7826514039431347
Energy: 0.5773446365740804
Energy: 0.5627316883747484
Energy: 0.5770598806232764
Energy: 0.9647758902182757
Energy: 0.5770598806232764
Energy: 0.7650656742023386
Energy: 0.6390613606634551
Energy: 0.5766630671428645
Energy: 0.639061360661889
Energy: 0.5601135725025344
Energy: 0.5661596634503234
Energy: 0.7775994187154799
Energy: 0.5661596634511065
Energy: 0.7287817803641787
Energy: 0.7035404779190393
Energy: 0.5579112846394669
Energy: 0.7035404779182564
Energy: 0.5626657549761505
Energy: 0.5760797675519582
Energy: 0.7302833344832729
Energy: 0.5760797675511752
Energy: 0.7250975546274007
Energy: 0.6373455246890793
Energy: 0.5608425363622458
Energy: 0.6373455246898624
Energy: 0.559987985931477
Energy: 0.5766904477244991
Energy: 0.5537358614247907
Energy: 0.5766904477260651
Energy: 0.7103219110053302
Energy: 0.5779622232394551
Energy: 0.5662675861066658
Energy: 0.5779622232394551
Energy: 0.5786687829886057
Energy: 0.5761118454185027
Energy: 0.5560701175968503
Energy: 0.5761118454177196
Energy: 0.8922449976479251
Energy: 0.5897286964589661
Energy: 0.5607640929621988
Energy: 0.5897286964605322
Energy: 0.7850249378658828
Energy: 0.576350059257108
Energy: 0.5629687967645114
Energy: 0.576350059257891
Energy: 0.7893309159993875
Energy: 0.5759308201675106
Energy: 0.5622160549174438
Energy: 0.5759308201675106
Energy: 0.5787693002360278
Energy: 0.6340731185198406
Energy: 0.5526670286114596
Energy: 0.6340731185198406
Energy: 0.7770091775461191
Energy: 0.5897621643295314
Energy: 0.5607532734381345
Energy: 0.5897621643287484
Energy: 0.560153064148427
Energy: 0.575809826043257
Energy: 0.7362878691365138
Energy: 0.575809826042474
Energy: 0.5572568448963071
Energy: 0.5759089534674726
Energy: 0.5635100250451424
Energy: 0.5759089534666896
Energy: 0.5627443610822251
Energy: 0.6343998911467296
Energy: 0.7262465871358702
Energy: 0.6343998911467296
Energy: 0.5537250079899368
Energy: 0.6054841308293792
Energy: 0.5636810378338909
Energy: 0.6054841308309454
Energy: 0.5650671048441482
Energy: 0.5759626215686148
Energy: 0.7103605768898064
Energy: 0.5759626215686148
Energy: 0.5508747619260965
Energy: 0.5759862703360681
Energy: 0.5823384405612859
Energy: 0.5759862703376342

minimum gb energy = 0.5508747619260965 eV
minimum distance =  2.30675145263481 Angstroms
sigma value = 15


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

Energy: 0.7777255100082552
Energy: 0.5327154329648729
Energy: 1.050388406996636
Energy: 0.5327154329675264
Energy: 1.046925673662173
Energy: 0.5260484381314757
Energy: 0.5245825150822143
Energy: 0.5260484381314757
Energy: 0.5889027022828426
Energy: 0.5298125713168256
Energy: 0.6676688894394043
Energy: 0.5298125713168256
Energy: 0.8726769174810206
Energy: 0.5298145730001872
Energy: 0.5244169964863115
Energy: 0.5298145730008504
Energy: 0.5696362097162032
Energy: 0.655511192688953
Energy: 0.5743591762047324
Energy: 0.655511192688953
Energy: 0.7685093912233028
Energy: 0.5235316724156069
Energy: 0.5248599151582003
Energy: 0.5235316724149436
Energy: 0.5285239562816424
Energy: 0.5328227980941427
Energy: 0.5790017182358939
Energy: 0.5328227981127166
Energy: 0.6518137279944589
Energy: 0.5318874933607455
Energy: 0.5296760665609646
Energy: 0.5318874933600821
Energy: 0.5257081333538094
Energy: 0.5333455359175104
Energy: 0.7290309388452172
Energy: 0.5333455359155204
Energy: 0.5774341189433605
Energy: 0.5320868197135984
Energy: 0.5700466239742502
Energy: 0.5320868197135984
Energy: 0.5239305683686137
Energy: 0.5239472762180484
Energy: 0.8692342872624641
Energy: 0.523947276217385
Energy: 0.5116104601272511
Energy: 0.5302379622361334
Energy: 0.5896621604606017
Energy: 0.5302379622354702
Energy: 0.5255773820666715
Energy: 0.5390846961023756
Energy: 0.9995530344393129
Energy: 0.539084696103039
Energy: 0.5071917382846396
Energy: 0.5260474830165569
Energy: 0.7123137203276451
Energy: 0.5260474830152301
Energy: 0.523974214692549
Energy: 0.5259915075532543
Energy: 0.916655351517916
Energy: 0.5259915075525909
Energy: 0.6945237036397108
Energy: 0.5300089944327423
Energy: 0.589433662441177
Energy: 0.5300089944320789
Energy: 0.525793433857096
Energy: 0.5381253753131164
Energy: 0.9079582359220747
Energy: 0.5381253753151064
Energy: 0.6780214931559115
Energy: 0.5369139076132005
Energy: 0.5703224014080746
Energy: 0.5369139076145272
Energy: 0.5252630165238028
Energy: 0.5232382985346253
Energy: 0.7683355528036844
Energy: 0.5232382985346253
Energy: 0.7161139577296056
Energy: 0.5244547036102621
Energy: 0.5297240128932829
Energy: 0.5244547036102621
Energy: 0.5313298494495454
Energy: 0.5416105385342967
Energy: 0.6509005349121478
Energy: 0.5416105385362867
Energy: 0.7056244357545612
Energy: 0.5313250277290378
Energy: 0.5279544166927271
Energy: 0.5313250277290378
Energy: 0.5713678624834414
Energy: 0.523647039544906
Energy: 0.572585183945927
Energy: 0.523647039544906
Energy: 0.8892396800726943
Energy: 0.5251534623777816
Energy: 0.5243573295405115
Energy: 0.525153462378445
Energy: 0.5909391390136882
Energy: 0.541706701918939
Energy: 0.5300242239034803
Energy: 0.5417067019182756
Energy: 0.8809292608937593
Energy: 0.53162590644866
Energy: 0.5280888321693071
Energy: 0.5316259064479967
Energy: 0.7800052666927634
Energy: 0.5294081724724955
Energy: 0.5196625854340642
Energy: 0.529408172473159
Energy: 0.9568151363694611
Energy: 0.5230391750792753
Energy: 0.5244205900901262
Energy: 0.5230391750799388
Energy: 0.5906532519127091
Energy: 0.5888717204095089
Energy: 0.5086672277527927
Energy: 0.5888717203909951
Energy: 0.7746468655105176
Energy: 0.5376875714458701
Energy: 0.5281159069416773
Energy: 0.53768757144388
Energy: 0.5713203172722939
Energy: 0.5705316969827214
Energy: 0.6750578897259133
Energy: 0.5705316969847115
Energy: 0.7661369129769744
Energy: 0.5233906570115142
Energy: 0.5265212586230607
Energy: 0.5233906570108509
Energy: 0.5313464216635031
Energy: 0.5891332807312155
Energy: 0.7129473936510301
Energy: 0.5891332807318789
Energy: 0.5582632522393821
Energy: 0.5416590993985987
Energy: 0.5338280833791673
Energy: 0.5416590993946185
Energy: 0.5183024793819604
Energy: 0.5703778927894058
Energy: 0.7053697088188051
Energy: 0.5703778927894058
Energy: 0.5709080943572086
Energy: 0.5233324351309653
Energy: 0.5736580565492082
Energy: 0.5233324351316286
Energy: 0.5257312214533876
Energy: 0.7200216435064579
Energy: 0.8891990877281716
Energy: 0.720021643508448

minimum gb energy = 0.5071917382846396 eV
minimum distance =  2.30621484140297 Angstroms
sigma value = 85


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

Energy: 0.6694981971386227
Energy: 0.5036423596782692
Energy: 1.0016397281258913
Energy: 0.5036423596776939
Energy: 0.9804565162275447
Energy: 0.5004452485041024
Energy: 0.4773638044656645
Energy: 0.5004452485046778
Energy: 0.6415800271269507
Energy: 0.5004273291918978
Energy: 0.6969200999830977
Energy: 0.5004273291918978
Energy: 0.8077232376363845
Energy: 0.5004193504629659
Energy: 0.4772540251828037
Energy: 0.5004193504629659
Energy: 0.4996375822060513
Energy: 0.47601684825963025
Energy: 0.4877198334565035
Energy: 0.47601684825963025
Energy: 0.7160815974343385
Energy: 0.500811451084501
Energy: 0.4772279636844701
Energy: 0.500811451084501
Energy: 0.475044656246912
Energy: 0.5155424982782196
Energy: 0.48601878965149775
Energy: 0.515542498278795
Energy: 0.6168415753799322
Energy: 0.49993757709781733
Energy: 0.47719467874826277
Energy: 0.499937577097242
Energy: 0.4767714169050437
Energy: 0.4873524958871156
Energy: 0.5925100017985732
Energy: 0.4873524958871156
Energy: 0.5378420633027122
Energy: 0.5150966357037108
Energy: 0.4754790924164491
Energy: 0.5150966357031355
Energy: 0.47846867637259255
Energy: 0.5003837160272038
Energy: 0.6722641293018704
Energy: 0.5003837160272038
Energy: 0.45529630752356837
Energy: 0.4998907513410859
Energy: 0.499964973041271
Energy: 0.49989075134223654
Energy: 0.4769404799852137
Energy: 0.4864686755940015
Energy: 0.8406431554898348
Energy: 0.4864686755940015
Energy: 0.4568088910911516
Energy: 0.5005012516009012
Energy: 0.642046977344988
Energy: 0.5005012516014765
Energy: 0.4786164269569453
Energy: 0.5003840718856918
Energy: 0.8921539760654219
Energy: 0.5003840718856918
Energy: 0.45425694742870343
Energy: 0.5037314299663382
Energy: 0.6697938431303895
Energy: 0.5037314299657629
Energy: 0.47680726519935557
Energy: 0.48657179834508946
Energy: 0.9253153365830962
Energy: 0.48657179834566483
Energy: 0.5935515827056659
Energy: 0.5006660031080529
Energy: 0.6417872963994083
Energy: 0.5006660031080529
Energy: 0.47762839776572397
Energy: 0.5003957805343158
Energy: 0.8076960021850286
Energy: 0.5003957805331651
Energy: 0.5885113920397217
Energy: 0.6083316350909796
Energy: 0.5000365523058524
Energy: 0.6083316350904042
Energy: 0.4768293884936728
Energy: 0.4864736953392503
Energy: 0.7606822713306888
Energy: 0.4864736953392503
Energy: 0.5874841353087026
Energy: 0.5860878385098401
Energy: 0.47544291754533174
Energy: 0.5860878385092647
Energy: 0.47861791739651266
Energy: 0.4995492833330067
Energy: 0.617317964078128
Energy: 0.49954928333185605
Energy: 0.588191412043046
Energy: 0.5170553051247706
Energy: 0.4772787209622509
Energy: 0.517055305125346
Energy: 0.47691822596987865
Energy: 0.49952943435863895
Energy: 0.5817955505285932
Energy: 0.49952943435806363
Energy: 0.7440517647550742
Energy: 0.5005861180305013
Energy: 0.4786189930018196
Energy: 0.5005861180293507
Energy: 0.501547696137845
Energy: 0.4995527752099258
Energy: 0.4548004211416781
Energy: 0.4995527752116518
Energy: 0.7432846846597687
Energy: 0.5171286701469173
Energy: 0.477373355997614
Energy: 0.5171286700663972
Energy: 0.6435273628809106
Energy: 0.5010046165586939
Energy: 0.4564263702774652
Energy: 0.5010046165581186
Energy: 0.8854615369970955
Energy: 0.5005545255061504
Energy: 0.4788983801264857
Energy: 0.5005545255055751
Energy: 0.6713170887108291
Energy: 0.49981264829575284
Energy: 0.45467029539169856
Energy: 0.49981264829632815
Energy: 0.8233776820497088
Energy: 0.5150210733027266
Energy: 0.477342479918571
Energy: 0.5150210733067538
Energy: 0.6433200260019826
Energy: 0.5009386776097788
Energy: 0.45621090927267705
Energy: 0.5009386776097788
Energy: 0.8078379110800842
Energy: 0.49937702433917547
Energy: 0.47880192851584547
Energy: 0.49937702433860015
Energy: 0.5012829105043051
Energy: 0.4995022164309773
Energy: 0.5880770026893954
Energy: 0.49950221641429277
Energy: 0.6266408746595064
Energy: 0.5149025276495605
Energy: 0.4773820710338243
Energy: 0.5149025276489851
Energy: 0.4769664075513193
Energy: 0.586033862368835
Energy: 0.5865637388647482
Energy: 0.586033862368835
Energy: 0.6177554850757294
Energy: 0.49945276172646763
Energy: 0.47878068835938103
Energy: 0.4994527617276184
Energy: 0.47870608133091846
Energy: 0.5005283290646015
Energy: 0.5883482192544888
Energy: 0.5005283290605742
Energy: 0.4613752814546791
Energy: 0.5312897112493246
Energy: 0.4780489471302634
Energy: 0.5312897112487491
Energy: 0.47659789044226164
Energy: 0.4995170458239872
Energy: 0.7435394527870993
Energy: 0.49951704582456247
Energy: 0.4558632415172177
Energy: 0.4993847022230611
Energy: 0.5037109228271216
Energy: 0.49938470222363646
Energy: 0.4787071734800001
Energy: 0.49955509633642886
Energy: 0.7437138892238675
Energy: 0.4995550963387302

minimum gb energy = 0.45425694742870343 eV
minimum distance =  2.32071104625114 Angstroms
sigma value = 113


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

Energy: 0.015441402328774983
Energy: 0.016035678450403153
Energy: 0.8270333632867517
Energy: 0.016035678450820868
Energy: 0.590721705797201
Energy: 0.25677916661258454
Energy: 0.25616654621482493
Energy: 0.25677916661214223
Energy: 0.015441402328774983
Energy: 0.016035678450403153
Energy: 0.827033363286334
Energy: 0.016035678450403153
Energy: 0.590721705797201
Energy: 0.25677916661258454
Energy: 0.25616654621396495
Energy: 0.25677916661258454
Energy: 0.015441402328774983
Energy: 0.016035678450403153
Energy: 0.827033363286334
Energy: 0.016035678450403153
Energy: 0.590721705797201
Energy: 0.25677916661258454
Energy: 0.2561665462126873
Energy: 0.25677916661258454

minimum gb energy = 0.015441402328774983 eV
minimum distance =  2.54802769943267 Angstroms
sigma value = 1