Model name: model_name=Sim_LAMMPS_ADP_WangXuQian_2021_AuRh__SM_066295357485_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.080000087618828
cohesive_energy=3.810299677720723
mass=196.9665
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.141880900111604e-19, 1.7529574770257398e-19, 2.26714402417536e-19, 2.7172274841986397e-19, 3.11852466571662e-19, 3.47991162728166e-19, 3.8071241612434797e-19, 4.1042157744861e-19, 4.37419855908144e-19, 4.61937964938246e-19, 4.841617570284599e-19, 5.042402346057479e-19, 5.222999696241959e-19, 5.38448307918282e-19, 5.527749713795099e-19, 5.65361671016214e-19, 5.76277300423656e-19, 5.855843444905619e-19, 5.933388793991219e-19, 5.9959057262499e-19, 6.043858872905519e-19, 6.07766479988292e-19, 6.09769200780792e-19, 6.10429297554e-19, 6.097067158920659e-19, 6.07341903180282e-19, 6.02990391442338e-19, 5.962388191066619e-19, 5.8657769400364195e-19, 5.73385371599286e-19, 5.558976136391759e-19, 5.33165931555984e-19, 5.04006316817184e-19, 4.6693835821296e-19, 4.2008430472826397e-19, 3.6105851535507e-19, 2.8678961748599997e-19, 1.9329299783229597e-19, 7.53426766491768e-20, -7.472215363882859e-20, -2.6935152700154396e-19, -5.29029111486996e-19, -8.90515408003344e-19, -1.40992344880317e-18, -2.16825768232488e-18, -3.27611475943686e-18, -4.89290324433894e-18, -7.2465648067503e-18, -1.0675014520547881e-17, -1.5688129077735838e-17, -2.3074547882868e-17, -3.41226772979418e-17, -5.08197610891728e-17, -7.95270813641946e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011537240556014043
Energy: 0.01209862871742285
Energy: 0.4730267078305587
Energy: 0.01209862871742285
Energy: 0.01209862871742285
Energy: 0.47059642796785417
Energy: 0.01209862871742285
Energy: 0.4705964279697691
Energy: 0.4730267078296014
Energy: 0.01209862871742285
Energy: 0.011537240556506439
Energy: 0.01209862871742285
Energy: 0.01209862871742285
Energy: 0.4705964279697691
Energy: 0.01209862871742285
Energy: 0.4705964279726687

minimum gb energy = 0.011537240556014043 eV
minimum distance =  2.79089446422087 Angstroms
sigma value = 1


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

Energy: 0.8849272621559635
Energy: 0.5719614936513318
Energy: 0.6181972354290595
Energy: 0.5719614936513318
Energy: 0.5870314954615484
Energy: 0.6500924512584917
Energy: 0.5781787463475587
Energy: 0.6500924512578945
Energy: 0.6173838395816021
Energy: 0.6177386144740896
Energy: 0.9651280196488295
Energy: 0.6177386144740896
Energy: 0.5792768514863694
Energy: 0.5800728575263636
Energy: 0.5784188606681107
Energy: 0.5800728575251692
Energy: 0.8191721180284173
Energy: 0.5764982663628246
Energy: 0.5796959223277153
Energy: 0.5764982663580472
Energy: 0.6027587820015048
Energy: 0.6050368043856004
Energy: 0.5775567844360713
Energy: 0.6050368043879892
Energy: 0.601820106412399
Energy: 0.6055456191124722
Energy: 0.5994127155443366
Energy: 0.6055456191124722
Energy: 0.6018803763017717
Energy: 0.6194493650689944
Energy: 0.6114119290804277
Energy: 0.6194493650678
Energy: 0.6989735574679894
Energy: 0.6160934372372239
Energy: 0.6074857681084749
Energy: 0.6160934372372239
Energy: 0.6107229244637254
Energy: 0.6220976524394667
Energy: 0.6089392913172532
Energy: 0.6220976524394667
Energy: 0.6079726741646301
Energy: 0.615356488858103
Energy: 0.6079048408605165
Energy: 0.6153564888587001
Energy: 0.6039248967370068
Energy: 0.6143307812716815
Energy: 0.6094178806679473
Energy: 0.6143307812722787
Energy: 0.6151333932099481
Energy: 0.6048693376430779
Energy: 0.5868922087580423
Energy: 0.6048693376430779
Energy: 0.6025646021896495
Energy: 0.6050675474719113
Energy: 0.5851165008318351
Energy: 0.6050675474719113
Energy: 0.5888343822179019
Energy: 0.5767316016824122
Energy: 0.5771898697120847
Energy: 0.5767316016824122
Energy: 0.5713191259277091
Energy: 0.5794421846174169
Energy: 0.5800087096806461
Energy: 0.579442184613834
Energy: 0.6185130339523633
Energy: 0.6171111023374961
Energy: 0.5685600774514783
Energy: 0.6171111023380933
Energy: 0.57828048100638
Energy: 0.5785147460703929
Energy: 0.5864086142711556
Energy: 0.5785147461241109
Energy: 0.5788328584518491
Energy: 0.6167576955811575
Energy: 0.6193106978363422
Energy: 0.6167576955799631
Energy: 0.5939945542381672
Energy: 0.5805677646967556
Energy: 0.5793520083992869
Energy: 0.5805677646955615
Energy: 0.583154133236111
Energy: 0.5785648465564042
Energy: 0.5983790983817642
Energy: 0.5785648465265456
Energy: 0.5788471998329319
Energy: 0.5786997157198972
Energy: 0.5925604378278465
Energy: 0.5786997157366179
Energy: 0.6000195550558154
Energy: 0.6048420340437566
Energy: 0.5998209594172517
Energy: 0.6048420340437566
Energy: 0.5915598624208014
Energy: 0.6091225938062874
Energy: 0.5997927396745686
Energy: 0.6091225938068846
Energy: 0.6077973403194551
Energy: 0.6158604883119136
Energy: 0.6999062727161292
Energy: 0.6158604883119136
Energy: 0.6082715487698926
Energy: 0.6161617236617691
Energy: 0.6106871783130452
Energy: 0.6161617236617691
Energy: 0.7006405072440373
Energy: 0.6155003507402736
Energy: 0.6073178273377705
Energy: 0.6155003507402736
Energy: 0.6088544985588831
Energy: 0.6142104435514226
Energy: 0.601524578365858
Energy: 0.6142104435514226
Energy: 0.5863919399435541
Energy: 0.6049446892170528
Energy: 0.6175166866656793
Energy: 0.6049446892176499
Energy: 0.5850233818288015
Energy: 0.605599121724065
Energy: 0.6013692529303577
Energy: 0.6055991217228708
Energy: 0.5769893016348514
Energy: 0.5777470601901729
Energy: 0.5856355625504255
Energy: 0.5777470601895756
Energy: 0.5789160871437307
Energy: 0.5788450673711154
Energy: 0.5694879211464873
Energy: 0.5788450673155787
Energy: 0.5683154609768374
Energy: 0.5788355547474919
Energy: 0.6186229073319629
Energy: 0.5788355547731431

minimum gb energy = 0.5683154609768374 eV
minimum distance =  2.60369230931022 Angstroms
sigma value = 1


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

Energy: 1.0107666689163735
Energy: 0.5941294059165629
Energy: 0.6451737683690917
Energy: 0.5941294059165629
Energy: 0.615668918718685
Energy: 0.6643128374971522
Energy: 0.604154433839885
Energy: 0.664312837497833
Energy: 0.6449461720952144
Energy: 0.6454536155401762
Energy: 0.606071924104383
Energy: 0.6454536155394954
Energy: 0.6053373582409812
Energy: 0.605132410109867
Energy: 0.6045391255633542
Energy: 0.605132410109867
Energy: 0.6028437045575853
Energy: 0.6027069043569926
Energy: 0.6032576420475959
Energy: 0.6027069045223838
Energy: 0.6293949404249883
Energy: 0.6556590930739674
Energy: 0.6045276690599243
Energy: 0.6556590930712438
Energy: 0.6333310714014445
Energy: 0.6391988718400885
Energy: 0.6298549068309123
Energy: 0.6391988718394075
Energy: 0.6299136322154641
Energy: 0.6515612921027921
Energy: 0.6373121403753893
Energy: 0.6515612921014305
Energy: 0.629757938069711
Energy: 0.6488005741748053
Energy: 0.6351965753616263
Energy: 0.6488005741748053
Energy: 0.6359221008080748
Energy: 0.6498649567658771
Energy: 0.6321753986779802
Energy: 0.6498649567658771
Energy: 0.6155898922250712
Energy: 0.6386623570172489
Energy: 0.6322364441267164
Energy: 0.6386623570172489
Energy: 0.6147895237963594
Energy: 0.6399707194978453
Energy: 0.6293777444498994
Energy: 0.6399707194978453
Energy: 0.6033694769275726
Energy: 0.6034744302998017
Energy: 0.6159040781442567
Energy: 0.6034744302963974
Energy: 0.6044678545868053
Energy: 0.6053205938232233
Energy: 0.5907787470823224
Energy: 0.6053205939967851
Energy: 0.5918603805189878
Energy: 0.6453018186259211
Energy: 0.6445776891504021
Energy: 0.6453018186272829
Energy: 0.6156058219782202
Energy: 0.6028299356205932
Energy: 0.6040540842618461
Energy: 0.6028299356927354
Energy: 0.6470642239678778
Energy: 0.6455283017595831
Energy: 0.6029159134526324
Energy: 0.6455283017595831
Energy: 0.6046352075014998
Energy: 0.6054059265788498
Energy: 0.6286135560811972
Energy: 0.6054059266754725
Energy: 0.6028150687034581
Energy: 0.6052106862314752
Energy: 0.6063018868902192
Energy: 0.6052106862314752
Energy: 0.6298874354147008
Energy: 0.6043615629775807
Energy: 0.604577448051719
Energy: 0.6043615629782616
Energy: 0.6303423104626789
Energy: 0.6572330393139966
Energy: 0.6277074623074823
Energy: 0.6572330393139966
Energy: 0.6284673534537529
Energy: 0.6423993451104583
Energy: 0.6262829696350192
Energy: 0.642399345111139
Energy: 0.630469035812944
Energy: 0.6489994087120202
Energy: 0.6344911602627372
Energy: 0.6489994087120202
Energy: 0.6314921098569574
Energy: 0.6501078434410591
Energy: 0.6301689345971067
Energy: 0.65010784344174
Energy: 0.6179676856962517
Energy: 0.6389695469248791
Energy: 0.6590791300737688
Energy: 0.6389695469248791
Energy: 0.6157669027352386
Energy: 0.6404285938253892
Energy: 0.6337431032541635
Energy: 0.6404285938247083
Energy: 0.6031247592199334
Energy: 0.6031703258386408
Energy: 0.6171098263662993
Energy: 0.6031703258393217
Energy: 0.6046758089692968
Energy: 0.6031846128968501
Energy: 0.5910085495188744
Energy: 0.6031846128968501
Energy: 0.5901328162114345
Energy: 0.6114462372631779
Energy: 0.6460440373985579
Energy: 0.6114462372536457

minimum gb energy = 0.5901328162114345 eV
minimum distance =  2.6019411091953 Angstroms
sigma value = 25


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

Energy: 0.9600153040246263
Energy: 0.6164301158324526
Energy: 0.6766740265608511
Energy: 0.6164301158340355
Energy: 0.6520341761490758
Energy: 0.6763403525502486
Energy: 0.6350182869263283
Energy: 0.6763403525502486
Energy: 0.6763840597203723
Energy: 0.6762474123378016
Energy: 0.6318861232743478
Energy: 0.6762474123378016
Energy: 0.6333983564032962
Energy: 0.6598534790409993
Energy: 0.6355701466274889
Energy: 0.6598534790409993
Energy: 0.6343831247809418
Energy: 0.6319317050693047
Energy: 0.6321969729794307
Energy: 0.6319317050685131
Energy: 0.6587253198376138
Energy: 0.6981403720767911
Energy: 0.6342858448965898
Energy: 0.6981403720775826
Energy: 0.6571783755041684
Energy: 0.6917526367350669
Energy: 0.6556781788061963
Energy: 0.6917526367358584
Energy: 0.6573009523235015
Energy: 0.6818260219766045
Energy: 0.6531999502163578
Energy: 0.6818260219758129
Energy: 0.6580062811780861
Energy: 0.6907089822763591
Energy: 0.650999075739966
Energy: 0.6907089822755677
Energy: 0.6596498913701768
Energy: 0.6863674134402631
Energy: 0.6337533835856258
Energy: 0.6863674134426376
Energy: 0.6147505893078378
Energy: 0.6318889993065618
Energy: 0.630858907108372
Energy: 0.6318889993026043
Energy: 0.6126977763632547
Energy: 0.6321671911699993
Energy: 0.6340214733359005
Energy: 0.6321671911620843
Energy: 0.6758879779204492
Energy: 0.6766916262275
Energy: 0.6122296470820611
Energy: 0.6766916262267085
Energy: 0.6340742059645186
Energy: 0.6320185284947105
Energy: 0.6514821664201113
Energy: 0.6320185284962935
Energy: 0.6324847216815246
Energy: 0.6767761859754622
Energy: 0.6788393154410615
Energy: 0.6767761859754622
Energy: 0.6319892770585047
Energy: 0.6329608677623987
Energy: 0.633344863037388
Energy: 0.6329608677473602
Energy: 0.634846690673466
Energy: 0.6336573666427475
Energy: 0.6341587531701329
Energy: 0.6336573666419559
Energy: 0.6338401412987016
Energy: 0.6325168412689779
Energy: 0.6352670863261607
Energy: 0.6325168412721439
Energy: 0.6609613745232066
Energy: 0.6949778622774339
Energy: 0.6595764510543936
Energy: 0.6949778622774339
Energy: 0.6329823826322206
Energy: 0.6844768704559241
Energy: 0.6590417427806738
Energy: 0.6844768704559241
Energy: 0.6510513491497805
Energy: 0.6899641305976778
Energy: 0.6576925833924195
Energy: 0.6899641305960948
Energy: 0.6514946780319668
Energy: 0.6895932439000719
Energy: 0.658517699121486
Energy: 0.6895932439000719
Energy: 0.6308891466097243
Energy: 0.631976286427912
Energy: 0.6122659571957824
Energy: 0.631976286415248
Energy: 0.634580871252648
Energy: 0.6329763374365831
Energy: 0.612042310660236
Energy: 0.6329763374357916
Energy: 0.6118866504790846
Energy: 0.6328054949113461
Energy: 0.678138589452078
Energy: 0.632805494917678

minimum gb energy = 0.6118866504790846 eV
minimum distance =  2.60157934610237 Angstroms
sigma value = 9


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

Energy: 0.8835962325711569
Energy: 0.6370864916349523
Energy: 0.7083889237789079
Energy: 0.6370864916349523
Energy: 0.6906207036063925
Energy: 0.7008018342679442
Energy: 0.6667836412539071
Energy: 0.7008018342679442
Energy: 0.7075687737860011
Energy: 0.7073441856816993
Energy: 0.7188646296868694
Energy: 0.7073441856826435
Energy: 0.6621630966179005
Energy: 0.6701961076055077
Energy: 0.666533025954145
Energy: 0.6701961076055077
Energy: 0.6640665019220021
Energy: 0.6714526430936946
Energy: 0.6652210815705409
Energy: 0.6714526431003041
Energy: 0.6610450272827235
Energy: 0.731941284089869
Energy: 0.6675835696270669
Energy: 0.7319412840936459
Energy: 0.6961548830459431
Energy: 0.7342066526302153
Energy: 0.6680018828393177
Energy: 0.7342066526292711
Energy: 0.6676503109904409
Energy: 0.7300996325076402
Energy: 0.6676555758862689
Energy: 0.7300996325076402
Energy: 0.6662752957299173
Energy: 0.6713842357525781
Energy: 0.6324704950333139
Energy: 0.6713842357629642
Energy: 0.6668852025509687
Energy: 0.6705719171501241
Energy: 0.6301168307240772
Energy: 0.6705719171491799
Energy: 0.6307279705354646
Energy: 0.7074250489151949
Energy: 0.7070020154773698
Energy: 0.707425048911418
Energy: 0.6917495136452176
Energy: 0.6693006411314528
Energy: 0.6669965224292932
Energy: 0.6693006411305086
Energy: 0.7085507316702213
Energy: 0.7089338952894109
Energy: 0.6642438895182666
Energy: 0.7089338952884666
Energy: 0.6609708470681119
Energy: 0.6706650942652057
Energy: 0.6588818387882353
Energy: 0.6706650942652057
Energy: 0.6628917127137268
Energy: 0.6619358918425121
Energy: 0.6666770895503202
Energy: 0.6619358918425121
Energy: 0.6603415790889026
Energy: 0.6707504960187474
Energy: 0.6660649216490601
Energy: 0.6707504960187474
Energy: 0.6896391091002244
Energy: 0.7361021259439451
Energy: 0.666848449800565
Energy: 0.7361021259439451
Energy: 0.6882776271364605
Energy: 0.7344776435938116
Energy: 0.6678991904174623
Energy: 0.7344776435938116
Energy: 0.666445593583885
Energy: 0.6719454935506847
Energy: 0.6304424716343612
Energy: 0.6719454935506847
Energy: 0.6676358497739201
Energy: 0.6709187269003631
Energy: 0.6300137606927836
Energy: 0.6709187268928094
Energy: 0.6295063777054531
Energy: 0.6616515461297845
Energy: 0.7088965440596493
Energy: 0.6616515461297845

minimum gb energy = 0.6295063777054531 eV
minimum distance =  2.61732604917422 Angstroms
sigma value = 25


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

Energy: 0.7743912793572078
Energy: 0.6589067858852846
Energy: 0.743803105160066
Energy: 0.6589067858852846
Energy: 0.6516349697583004
Energy: 0.7023320987559579
Energy: 0.670300872621891
Energy: 0.7023320987559579
Energy: 0.7424918337500496
Energy: 0.742810747871348
Energy: 0.7403194213198638
Energy: 0.742810747871348
Energy: 0.6557811241355845
Energy: 0.7029512021821744
Energy: 0.670572174375801
Energy: 0.7029512021833423
Energy: 0.6672339856661879
Energy: 0.7306419756305522
Energy: 0.6723741320329496
Energy: 0.7306419756305522
Energy: 0.6546708621502907
Energy: 0.7324498208150432
Energy: 0.6696230360682143
Energy: 0.7324498208138753
Energy: 0.6523982841070836
Energy: 0.7281903295399688
Energy: 0.6704266475131843
Energy: 0.7281903295423042
Energy: 0.6506371134427551
Energy: 0.7038468219517474
Energy: 0.6724393638399677
Energy: 0.7038468272052064
Energy: 0.741594971509504
Energy: 0.7426911362574733
Energy: 0.8235629097048145
Energy: 0.7426911362574733
Energy: 0.672862221028901
Energy: 0.7267247293296762
Energy: 0.6514069047348016
Energy: 0.726724729330844
Energy: 0.7406011553386186
Energy: 0.7441172980656016
Energy: 0.7434078786715896
Energy: 0.7441172980656016
Energy: 0.6533684465813022
Energy: 0.7047159693419068
Energy: 0.6542908281576544
Energy: 0.7047159693419068
Energy: 0.6704414606766922
Energy: 0.7324790032345034
Energy: 0.6674163364464434
Energy: 0.7324790032380064
Energy: 0.6715483305298465
Energy: 0.7299590923145834
Energy: 0.6562619148707822
Energy: 0.7299590923145834
Energy: 0.6706238541534444
Energy: 0.726772403704474
Energy: 0.6506404762741135
Energy: 0.726772403704474
Energy: 0.6708079651057657
Energy: 0.7272044646397202
Energy: 0.6513434981967668
Energy: 0.7272044646385525
Energy: 0.7426140011019342
Energy: 0.6567362785490022
Energy: 0.7452545997749133
Energy: 0.6567362785490022

minimum gb energy = 0.6506371134427551 eV
minimum distance =  2.65672435554733 Angstroms
sigma value = 17


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

Energy: 1.1103769187154278
Energy: 0.7604091263658735
Energy: 0.8116887187089814
Energy: 0.7604091263678575
Energy: 0.6681629574323681
Energy: 0.6829923569843291
Energy: 0.7122320062867864
Energy: 0.6829923569691186
Energy: 0.7158714912601285
Energy: 0.714526250670921
Energy: 0.8128836988103185
Energy: 0.7145262506695984
Energy: 0.7205193606183485
Energy: 0.7391141837590686
Energy: 0.7117940855480067
Energy: 0.7391141837597299
Energy: 0.7141204819299024
Energy: 0.769978603427385
Energy: 0.6680484576132424
Energy: 0.769978603427385
Energy: 0.7130059420531085
Energy: 0.7422671969459803
Energy: 0.7146231403453731
Energy: 0.7422671969420124
Energy: 0.7538911849249718
Energy: 0.7126857211325913
Energy: 0.7139552818814094
Energy: 0.7126857211312687
Energy: 0.75607581758072
Energy: 0.7124227665420719
Energy: 0.6822366166365542
Energy: 0.7124227665467013
Energy: 0.8164868216792461
Energy: 0.8124982208147153
Energy: 0.8117558317386885
Energy: 0.8124982208147153
Energy: 0.7552658201862988
Energy: 0.7533603562003279
Energy: 0.7113463230395565
Energy: 0.7533603562003279
Energy: 0.7124438216115883
Energy: 0.6837217999771885
Energy: 0.6793918809036044
Energy: 0.6837217999771885
Energy: 0.7601058043129073
Energy: 0.6807739817392666
Energy: 0.6818190972040458
Energy: 0.6807739817498478
Energy: 0.7563762002547942
Energy: 0.7037406749334822
Energy: 0.702786805806704
Energy: 0.7036746011937643
Energy: 0.7552686981182545
Energy: 0.6821520988724218
Energy: 0.6804163237597319
Energy: 0.6821521116964735
Energy: 0.8149658437974181
Energy: 0.8018920246158532
Energy: 0.7561127996209006
Energy: 0.8018920246151918
Energy: 0.7734355866593524
Energy: 0.7550192470734441
Energy: 0.7557473427423
Energy: 0.7550192470741054
Energy: 0.7587552370990986
Energy: 0.712289187076463
Energy: 0.6801090842978461
Energy: 0.712289187078447
Energy: 0.7585485807949393
Energy: 0.712449407131635
Energy: 0.7125838102302725
Energy: 0.712449407131635
Energy: 0.7169343895479282
Energy: 0.7684173495527938
Energy: 0.7151756438556186
Energy: 0.7684173495778943
Energy: 0.7372431278884001
Energy: 0.7424556058427065
Energy: 0.7155080880056313
Energy: 0.7424556058664842
Energy: 0.7153951880855673
Energy: 0.7130069456642054
Energy: 0.7551047506172383
Energy: 0.7130069456622214
Energy: 0.7205859962227575
Energy: 0.7151577366467433
Energy: 0.7538219077817891
Energy: 0.7151577366507113
Energy: 0.7126964963589179
Energy: 0.743843000780559
Energy: 0.7115153485804693
Energy: 0.7438430007832042
Energy: 0.8113399921578353
Energy: 0.8125450180061173
Energy: 0.8117299805139012
Energy: 0.8125450180067786
Energy: 0.6867909279396541
Energy: 0.6819676073752666
Energy: 0.7568183862960955
Energy: 0.6819676073673308
Energy: 0.6821331554806792
Energy: 0.6807061346441196
Energy: 0.7116787149296294
Energy: 0.6807061346533783
Energy: 0.6793642634145811
Energy: 0.6805091565969982
Energy: 0.7554611897957623
Energy: 0.6805091566062568
Energy: 0.6812364197343175
Energy: 0.686658948955495
Energy: 0.7554995775785787
Energy: 0.6866589513583645
Energy: 0.6837214516671011
Energy: 0.6871618385407506
Energy: 0.7560840675454537
Energy: 0.6871618384323532
Energy: 0.8699021314694814
Energy: 0.812634018540594
Energy: 0.8105785280586885
Energy: 0.812634018540594

minimum gb energy = 0.6680484576132424 eV
minimum distance =  2.63012681791689 Angstroms
sigma value = 53


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

Energy: 1.000707028857747
Energy: 0.6256568145049597
Energy: 0.7463229278420087
Energy: 0.6256568145049597
Energy: 0.8742310254995912
Energy: 0.6711059841619841
Energy: 0.7581436115854358
Energy: 0.6711059841619841
Energy: 0.746152618546532
Energy: 0.7487993683809454
Energy: 0.7457360920645473
Energy: 0.7487993683809454
Energy: 0.7560770560457898
Energy: 0.6710739476938556
Energy: 0.756958383553465
Energy: 0.6710739476938556
Energy: 0.7498944568771454
Energy: 0.6712126142291813
Energy: 0.6268345695762729
Energy: 0.671212614230704
Energy: 0.7552103341274865
Energy: 0.6708660875278087
Energy: 0.6252113025583083
Energy: 0.6708660875262862
Energy: 0.8557926430420634
Energy: 0.7504335717583682
Energy: 0.7478809123131025
Energy: 0.7504335717553233
Energy: 0.8808330593778894
Energy: 0.6711787802440546
Energy: 0.7531183629265717
Energy: 0.6711787802486221
Energy: 0.7466159102701254
Energy: 0.7490744713290993
Energy: 0.7637704948482964
Energy: 0.7490744713321443
Energy: 0.7526098045636302
Energy: 0.6715531314933116
Energy: 0.7582870075604603
Energy: 0.6715531314933116
Energy: 0.7499061612889358
Energy: 0.6711732518880815
Energy: 0.6261224744858855
Energy: 0.6711732518880815
Energy: 0.7559801672500327
Energy: 0.6705519805020129
Energy: 0.627000281516173
Energy: 0.6705519805020129
Energy: 0.8596417464980173
Energy: 0.6715681522923068
Energy: 0.7527877636268965
Energy: 0.6715681522923068

minimum gb energy = 0.6252113025583083 eV
minimum distance =  2.64982185873636 Angstroms
sigma value = 9


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

Energy: 0.9712217331063427
Energy: 0.7719410972306473
Energy: 0.8355058126207664
Energy: 0.771941097221068
Energy: 0.7325046304650992
Energy: 0.6851888161934232
Energy: 0.8405906112715156
Energy: 0.6851888162120187
Energy: 0.6836932666197991
Energy: 0.6864340355755907
Energy: 0.829352495701726
Energy: 0.6864340355733367
Energy: 0.6834613290883342
Energy: 0.685054750224413
Energy: 0.8942186896747267
Energy: 0.6850547502238495
Energy: 0.6853912780546001
Energy: 0.6862445745864295
Energy: 0.9019665991641075
Energy: 0.6862445745785405
Energy: 0.6877694248050391
Energy: 0.6847689312487127
Energy: 0.8986134109047101
Energy: 0.6847689312492763
Energy: 0.834593648664691
Energy: 0.8278603606656119
Energy: 0.8355541321007262
Energy: 0.8278603606673023
Energy: 0.8364497484238487
Energy: 0.7552842303684845
Energy: 0.8282235948200807
Energy: 0.755284230365667
Energy: 0.7243946157823089
Energy: 0.7723995703993152
Energy: 0.7245750521440338
Energy: 0.7723995703993152
Energy: 0.692018648916138
Energy: 0.6889916093573759
Energy: 0.8315849939741264
Energy: 0.6889916093579395
Energy: 0.7222594598561285
Energy: 0.7126176447275321
Energy: 0.7901736515645146
Energy: 0.7126176447258415
Energy: 0.7314557103700897
Energy: 0.7719779350589132
Energy: 0.8902458163935117
Energy: 0.7719779350617306
Energy: 0.8430141759862693
Energy: 0.7280812490727884
Energy: 0.7341185677506932
Energy: 0.7280812490727884
Energy: 0.8439454480332534
Energy: 0.723180807821418
Energy: 0.7237726054832491
Energy: 0.7231808078208545
Energy: 0.8285210802784625
Energy: 0.7214245157723039
Energy: 0.7257514132330922
Energy: 0.7214245157739944
Energy: 0.7633160750269001
Energy: 0.7163451323958209
Energy: 0.7297104279215161
Energy: 0.7163451323952574
Energy: 0.8344129922111413
Energy: 0.6934328767784446
Energy: 0.7227555837738496
Energy: 0.6934328767795714
Energy: 0.833870311329175
Energy: 0.8294672179071797
Energy: 0.8913791434799744
Energy: 0.8294672179105606
Energy: 0.8402971126035785
Energy: 0.6857988680930845
Energy: 0.7306447407322924
Energy: 0.6857988681054815
Energy: 0.8292545469021858
Energy: 0.6835740954582956
Energy: 0.6828704377925257
Energy: 0.683574095458859
Energy: 0.8951808756363745
Energy: 0.6857020006004473
Energy: 0.683526000054143
Energy: 0.6857020005993204
Energy: 0.8991473943720898
Energy: 0.6856734635499891
Energy: 0.6865963263596795
Energy: 0.6856734635516797
Energy: 0.9014092683533543
Energy: 0.6853862779305844
Energy: 0.686627539117885
Energy: 0.6853862779243859
Energy: 0.8373023539252495
Energy: 0.827252197085313
Energy: 0.837273252985704
Energy: 0.827252197085313
Energy: 0.8279587846024303
Energy: 0.7586843767828411
Energy: 0.8365916084390274
Energy: 0.7586843767834046
Energy: 0.7319944698084275
Energy: 0.7660678487602527
Energy: 0.7235244712807662
Energy: 0.7660678487608161
Energy: 0.8325349546379976
Energy: 0.6904631216236438
Energy: 0.6929166661195464
Energy: 0.6904631216236438
Energy: 0.7981110349797416
Energy: 0.7166485058336897
Energy: 0.721807683340497
Energy: 0.7166485058348168
Energy: 0.8984584324928832
Energy: 0.7278154076863935
Energy: 0.7294578667166101
Energy: 0.7278154076886475
Energy: 0.7377534971846271
Energy: 0.7136414654106045
Energy: 0.8430689466078911
Energy: 0.7136414654117313
Energy: 0.7246779352719217
Energy: 0.7245951677359507
Energy: 0.8399681552262607
Energy: 0.7245951677342602
Energy: 0.7250516269088563
Energy: 0.7162957009334069
Energy: 0.8296914344372387
Energy: 0.7162957009339703
Energy: 0.729339295193328
Energy: 0.7150851443195649
Energy: 0.7624339474827564
Energy: 0.7150851444727852
Energy: 0.722589982649848
Energy: 0.6947655870304739
Energy: 0.7675884550161178
Energy: 0.6947655870118786
Energy: 0.8895370775910503
Energy: 0.8294383039155301
Energy: 0.8321832993400654
Energy: 0.8294383039217286

minimum gb energy = 0.6828704377925257 eV
minimum distance =  2.60321415656788 Angstroms
sigma value = 73


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

Energy: 1.031817539731489
Energy: 0.7285856328857279
Energy: 0.7974062462879561
Energy: 0.7285856328857279
Energy: 0.7347819408460896
Energy: 0.6976606379617205
Energy: 0.7882972559375224
Energy: 0.6976606379813893
Energy: 0.6921679195593956
Energy: 0.6939644401043668
Energy: 0.8123467519394493
Energy: 0.6939644401034728
Energy: 0.6915888411224753
Energy: 0.6926061744533917
Energy: 0.8751144542516913
Energy: 0.6926061744533917
Energy: 0.694600579628513
Energy: 0.6955486441884984
Energy: 0.8699438808545045
Energy: 0.6955486441876044
Energy: 0.7356332075947403
Energy: 0.6963522713798181
Energy: 0.8287560494047349
Energy: 0.6963522713798181
Energy: 0.7796409641549014
Energy: 0.8119055394733157
Energy: 0.8203627922874205
Energy: 0.8119055394733157
Energy: 0.7803804261682553
Energy: 0.7702869525991136
Energy: 0.8114923131141762
Energy: 0.7702869525991136
Energy: 0.7309507633532467
Energy: 0.722616977585521
Energy: 0.813439063097864
Energy: 0.722616977586415
Energy: 0.7212930656999769
Energy: 0.7231135708400871
Energy: 0.8122654870191486
Energy: 0.7231135708400871
Energy: 0.7307723001925435
Energy: 0.6745858939713885
Energy: 0.8113668830143475
Energy: 0.6745858939713885
Energy: 0.7192231000809167
Energy: 0.67516120513139
Energy: 0.8611326265213927
Energy: 0.67516120513139
Energy: 0.8165906220970675
Energy: 0.7229626942183882
Energy: 0.7274584236253244
Energy: 0.7229626942183882
Energy: 0.8124832757397803
Energy: 0.675186616426001
Energy: 0.7209391327769505
Energy: 0.6751866164304713
Energy: 0.8216053769890157
Energy: 0.7566238615881197
Energy: 0.7195912659848538
Energy: 0.7566238615881197
Energy: 0.8706452075004162
Energy: 0.7209080050552004
Energy: 0.7198147199067607
Energy: 0.7209080050543063
Energy: 0.8703366332576004
Energy: 0.7690479563207001
Energy: 0.7207050826012266
Energy: 0.7690479563207001
Energy: 0.798906245163146
Energy: 0.7938446231816779
Energy: 0.7800278234147398
Energy: 0.793844623182572
Energy: 0.7844122943912171
Energy: 0.7450487955208364
Energy: 0.7824596894474567
Energy: 0.7450487955208364
Energy: 0.7877077119271391
Energy: 0.7434327374333283
Energy: 0.7832152110705971
Energy: 0.7434327374342224
Energy: 0.7855070712889576
Energy: 0.7564340067145036
Energy: 0.721367583762685
Energy: 0.7564340067145036
Energy: 0.828086908952454
Energy: 0.7811463095714064
Energy: 0.7796291204299095
Energy: 0.7811463095714064

minimum gb energy = 0.6745858939713885 eV
minimum distance =  2.5931928495958 Angstroms
sigma value = 7


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

Energy: 1.200835065579708
Energy: 0.7028454381963694
Energy: 0.7981307697688101
Energy: 0.7028454381963694
Energy: 0.7631107851114113
Energy: 0.7000277952563853
Energy: 0.8587462324919922
Energy: 0.700027795265868
Energy: 0.6902360668090567
Energy: 0.691659169515041
Energy: 0.7793174861594918
Energy: 0.6916591695156733
Energy: 0.6906364239417668
Energy: 0.6929983139334884
Energy: 0.8526314154991408
Energy: 0.6929983139341205
Energy: 0.6905328510662987
Energy: 0.691571703921366
Energy: 0.8437225584797388
Energy: 0.6915717039182051
Energy: 0.7040818123693158
Energy: 0.6924800266426799
Energy: 0.8429603015937791
Energy: 0.6924800266420477
Energy: 0.8588050461481908
Energy: 0.6907444893401561
Energy: 0.6991509633852467
Energy: 0.6907444893395239
Energy: 0.8552275039215321
Energy: 0.6934532289339163
Energy: 0.6910947286647411
Energy: 0.6934532289345484
Energy: 0.7760191713023127
Energy: 0.6956944638900997
Energy: 0.6985278915229775
Energy: 0.6956944638900997
Energy: 0.8397426613630942
Energy: 0.6923534061217783
Energy: 0.6901331386641497
Energy: 0.6923534061217783
Energy: 0.7834800493754085
Energy: 0.7441690044959537
Energy: 0.7753454995946889
Energy: 0.7441690044959537
Energy: 0.7724739462847376
Energy: 0.7714751461139469
Energy: 0.7742102747484446
Energy: 0.7714751460671944
Energy: 0.7707619225367922
Energy: 0.7370834804556682
Energy: 0.7709825131343214
Energy: 0.7370834804569325
Energy: 0.7737094641878177
Energy: 0.736487886942583
Energy: 0.7024055478450367
Energy: 0.7364878869419509
Energy: 0.7707680827067444
Energy: 0.7369088947894981
Energy: 0.6980076214587914
Energy: 0.7369088947894981
Energy: 0.7095101086965037
Energy: 0.7759218421779699
Energy: 0.7723181259912287
Energy: 0.7759218421786022
Energy: 0.7105764718905756
Energy: 0.7422148230679133
Energy: 0.7843460509296615
Energy: 0.7422148230679133
Energy: 0.6901717248730854
Energy: 0.6927351235840296
Energy: 0.768898953214623
Energy: 0.6927351235846618
Energy: 0.6948112934383079
Energy: 0.6959246134655979
Energy: 0.8540710669333642
Energy: 0.6959246134655979
Energy: 0.6926904364322932
Energy: 0.6934042896288127
Energy: 0.8693321703248374
Energy: 0.6934042896281807
Energy: 0.6991409097815611
Energy: 0.6920288631491766
Energy: 0.8471136339211839
Energy: 0.6920288631441192
Energy: 0.8546027818911958
Energy: 0.6917789596105265
Energy: 0.7041798036096499
Energy: 0.6917789596111587
Energy: 0.8593715272030578
Energy: 0.6910491958957798
Energy: 0.6904780949557456
Energy: 0.6910491958951476
Energy: 0.853325985433309
Energy: 0.6926658662457207
Energy: 0.6916360527652395
Energy: 0.6926658662450885
Energy: 0.839166410412816
Energy: 0.6918227564154671
Energy: 0.6904434503520398
Energy: 0.6918227564142027
Energy: 0.8386594650405607
Energy: 0.6990958027563604
Energy: 0.6921789633479551
Energy: 0.6990958027576246
Energy: 0.7978876470926547
Energy: 0.7766621124838444
Energy: 1.0363767543956361
Energy: 0.7766621124851087
Energy: 0.7695302455744336
Energy: 0.7399897858383171
Energy: 0.7757827567654059
Energy: 0.7399897858389494
Energy: 0.7796148045571508
Energy: 0.7378273283947974
Energy: 0.7700233187594523
Energy: 0.7378273283941652
Energy: 0.7710673244007176
Energy: 0.7372656670748161
Energy: 0.7025386709437056
Energy: 0.7372656670754483
Energy: 0.8679836649795913
Energy: 0.7706113608673374
Energy: 0.7697101252464903
Energy: 0.7706113608723948

minimum gb energy = 0.6901331386641497 eV
minimum distance =  2.60114878442113 Angstroms
sigma value = 29


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

Energy: 0.6606875995503456
Energy: 0.6598298807727269
Energy: 0.7223267724021859
Energy: 0.6598298807671239
Energy: 0.6570973988166504
Energy: 0.7050510262915703
Energy: 0.6623607528694071
Energy: 0.7050510262919863
Energy: 0.6588663550444784
Energy: 0.7033100772722093
Energy: 0.6511415296623948
Energy: 0.7033100772696402
Energy: 0.651165715649766
Energy: 0.6606819779751474
Energy: 0.6591306507919642
Energy: 0.6606819779745113
Energy: 0.6573360089775502
Energy: 0.6641368199797453
Energy: 0.6510162415855413
Energy: 0.6641368203191312
Energy: 0.6581690042232913
Energy: 0.7021055595779696
Energy: 0.6509522658941779
Energy: 0.7021055595775294
Energy: 0.6508691347357216
Energy: 0.7020233185532863
Energy: 0.6584135856079301
Energy: 0.7020233185528457
Energy: 0.6633471477416367
Energy: 0.6653497675144721
Energy: 0.6531157028736412
Energy: 0.6653497675140562
Energy: 0.6565362500720492
Energy: 0.6664484055881772
Energy: 0.662150465749252
Energy: 0.6664484055868806

minimum gb energy = 0.6508691347357216 eV
minimum distance =  2.62742569818481 Angstroms
sigma value = 5


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

Energy: 0.9241555088049042
Energy: 0.6340449101549284
Energy: 0.7512859981073471
Energy: 0.6340449101728435
Energy: 0.6844014039788342
Energy: 0.6589420220912189
Energy: 0.7574184254577541
Energy: 0.6589420220912189
Energy: 0.7581842264222715
Energy: 0.7135603110917346
Energy: 0.7634173697297306
Energy: 0.7135603110917346
Energy: 0.6791640396058312
Energy: 0.6617421709246235
Energy: 0.7526775116213164
Energy: 0.6617421709198462
Energy: 0.6608206595485773
Energy: 0.6592731398244466
Energy: 0.7562701499716141
Energy: 0.6592731398244466
Energy: 0.6568255115357774
Energy: 0.6588136398684702
Energy: 0.7566861440810746
Energy: 0.6588136398690674
Energy: 0.6577937204729699
Energy: 0.6579176810203655
Energy: 0.7531522619797658
Energy: 0.657917681014991
Energy: 0.6609663272907683
Energy: 0.6610221956789161
Energy: 0.8264386635770046
Energy: 0.6610221956801104
Energy: 0.6842908438633899
Energy: 0.6690336275377097
Energy: 0.828344866905439
Energy: 0.6690336275377097
Energy: 0.8009889832350875
Energy: 0.6360160877465194
Energy: 0.6369128561673684
Energy: 0.6360160877483109
Energy: 0.6830819598999522
Energy: 0.6347954987905855
Energy: 0.6358467354824391
Energy: 0.6347954987899884
Energy: 0.8323182857751538
Energy: 0.6352702491173581
Energy: 0.634330984381904
Energy: 0.6352702491143722
Energy: 0.84418388606583
Energy: 0.6348199259245945
Energy: 0.6362902507154578
Energy: 0.6348199259239973
Energy: 0.6596154993290347
Energy: 0.6668881205508393
Energy: 0.7598682160658137
Energy: 0.6668881205502423
Energy: 0.658014249544318
Energy: 0.6576648381899292
Energy: 0.757934484149536
Energy: 0.6576648381899292
Energy: 0.6590892767586534
Energy: 0.657616686016776
Energy: 0.7544520715984148
Energy: 0.6576166860149846
Energy: 0.6602116813203184
Energy: 0.6595715065564941
Energy: 0.6802741522161084
Energy: 0.6595715065648545
Energy: 0.7734166172320164
Energy: 0.6592640246461987
Energy: 0.6846695398700391
Energy: 0.6592640246450043
Energy: 0.7666660848217326
Energy: 0.7152099841077486
Energy: 0.7587231416703976
Energy: 0.7152099841077486
Energy: 0.753774096248773
Energy: 0.7165693954453349
Energy: 0.6792796732770573
Energy: 0.7165693954435434
Energy: 0.7599263506107543
Energy: 0.6581257730905365
Energy: 0.7516690038825125
Energy: 0.6581257730857593
Energy: 0.7554804311949258
Energy: 0.658089305863464
Energy: 0.6578452874893385
Energy: 0.6580893058628668
Energy: 0.7528343802809452
Energy: 0.6602556161538
Energy: 0.6571305202095263
Energy: 0.6602556161532028
Energy: 0.844679629304507
Energy: 0.6584825434572377
Energy: 0.6597813809674616
Energy: 0.6584825434566405
Energy: 0.8318282011071216
Energy: 0.6674696990890384
Energy: 0.6832451044148448
Energy: 0.6674696990896357
Energy: 0.6370568258175343
Energy: 0.635716336027114
Energy: 0.8013459376456995
Energy: 0.6357163360265168
Energy: 0.6364088788258516
Energy: 0.6359596250577231
Energy: 0.6843588123232907
Energy: 0.6359596250577231
Energy: 0.6352488927766344
Energy: 0.634555779530751
Energy: 0.6867437726504892
Energy: 0.6345557795295566
Energy: 0.6355081812558151
Energy: 0.6356960441603328
Energy: 0.8238558087118206
Energy: 0.6356960441603328
Energy: 0.7586370291457685
Energy: 0.6667496906375943
Energy: 0.6600770286233675
Energy: 0.6667496906375943
Energy: 0.7588320207747459
Energy: 0.6609340247791382
Energy: 0.658327018106164
Energy: 0.6609340248072052
Energy: 0.7531305402921711
Energy: 0.6571507811053665
Energy: 0.6582362980639783
Energy: 0.6571507811047693
Energy: 0.6799312063043583
Energy: 0.6594148906658991
Energy: 0.6592969916817609
Energy: 0.6594148964105006

minimum gb energy = 0.6340449101549284 eV
minimum distance =  2.61023349802855 Angstroms
sigma value = 1


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

Energy: 0.9864733064939699
Energy: 0.5964644391923748
Energy: 0.726762545615528
Energy: 0.5964644391923748
Energy: 0.6513507256850318
Energy: 0.6258022228348472
Energy: 0.7645643654312991
Energy: 0.6258022228340214
Energy: 0.7647567843441446
Energy: 0.6951758313304469
Energy: 0.7667916757081998
Energy: 0.6951758313304469
Energy: 0.6479390807356272
Energy: 0.6961433307569735
Energy: 0.7559967658372692
Energy: 0.6961433307569735
Energy: 0.6259341997209317
Energy: 0.6242674289416064
Energy: 0.7558016791073191
Energy: 0.6242674289416064
Energy: 0.6235765601063403
Energy: 0.6243172622510632
Energy: 0.7550150803647765
Energy: 0.6243172622502375
Energy: 0.6222414379906865
Energy: 0.6240798952903398
Energy: 0.756180747211868
Energy: 0.6240798952911654
Energy: 0.6277684030631524
Energy: 0.6260801612379491
Energy: 0.8582359025456562
Energy: 0.6260801612379491
Energy: 0.7573191817162155
Energy: 0.6437321515666939
Energy: 0.8595388617604363
Energy: 0.6437321515675196
Energy: 0.763789475821757
Energy: 0.6273684461272374
Energy: 0.6270113673184291
Energy: 0.6273684461272374
Energy: 0.7572590033637973
Energy: 0.6238147390267975
Energy: 0.6231353007848203
Energy: 0.6238147390259718
Energy: 0.8706009745331291
Energy: 0.6254211406401285
Energy: 0.6237298977039752
Energy: 0.6254211406401285
Energy: 0.8561494225707766
Energy: 0.6243253845680564
Energy: 0.6253838464272033
Energy: 0.6243253845697079
Energy: 0.6282001274123153
Energy: 0.6967374110970019
Energy: 0.7640844619574407
Energy: 0.6967374110986534
Energy: 0.6494036414847907
Energy: 0.6947011611706055
Energy: 0.7628420758737037
Energy: 0.69470116116978
Energy: 0.6517867568268314
Energy: 0.6254694895072208
Energy: 0.6274753976373354
Energy: 0.6254694895072208
Energy: 0.6245572666568963
Energy: 0.6245457216315934
Energy: 0.7566570678571395
Energy: 0.624545721629942
Energy: 0.6269306920574133
Energy: 0.6261864560248894
Energy: 0.7540469937077395
Energy: 0.6261864560248894
Energy: 0.6224488508690804
Energy: 0.6238171209120957
Energy: 0.866653875579431
Energy: 0.62381712091127
Energy: 0.6251314554849193
Energy: 0.6258792158653551
Energy: 0.8639061833427303
Energy: 0.6258792158381075
Energy: 0.7599118848665689
Energy: 0.643057906897992
Energy: 0.6254557472013456
Energy: 0.6430579068988176
Energy: 0.762094761039507
Energy: 0.6249503220909041
Energy: 0.6256531651830406
Energy: 0.6249503220909041
Energy: 0.6256995157332104
Energy: 0.6243105786042521
Energy: 0.6231020014420399
Energy: 0.6243105786034263
Energy: 0.8580599428344661
Energy: 0.6247766268158325
Energy: 0.6242050595513569
Energy: 0.6247766268150068

minimum gb energy = 0.5964644391923748 eV
minimum distance =  2.61620011324598 Angstroms
sigma value = 17


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

Energy: 1.0577606374388016
Energy: 0.604270578986776
Energy: 0.7328909392870606
Energy: 0.6042705789877968
Energy: 0.639134861694131
Energy: 0.6224296213305036
Energy: 0.7133810257810889
Energy: 0.6224296213305036
Energy: 0.7813700307718852
Energy: 0.7340856251775868
Energy: 0.7148064995996654
Energy: 0.734085625179628
Energy: 0.7883271422687251
Energy: 0.6514478692525064
Energy: 0.7066477165185652
Energy: 0.651447869253527
Energy: 0.6900885569780505
Energy: 0.6042104372413215
Energy: 0.6927221671648014
Energy: 0.6042104372387699
Energy: 0.6037350207839246
Energy: 0.6030855180743367
Energy: 0.6943721095998063
Energy: 0.6030855180738265
Energy: 0.6036438681249735
Energy: 0.6032095688098805
Energy: 0.7064470400261516
Energy: 0.603209568806308
Energy: 0.6049934511909787
Energy: 0.6037929556307342
Energy: 0.6054264162015057
Energy: 0.6037929556312447
Energy: 0.6929782623923738
Energy: 0.6038927903803779
Energy: 0.7765872777775682
Energy: 0.6038927903793572
Energy: 0.7366536434475506
Energy: 0.6557124730642583
Energy: 0.707807368809784
Energy: 0.6557124730698719
Energy: 0.6922027305371434
Energy: 0.6203527280734912
Energy: 0.6355510937929396
Energy: 0.6203527280801254
Energy: 0.6956952450395179
Energy: 0.621807437159025
Energy: 0.7076117956077085
Energy: 0.6218074371697422
Energy: 0.6920503788160959
Energy: 0.6199692471329571
Energy: 0.62074423856328
Energy: 0.6199692471156055
Energy: 0.6222892231825246
Energy: 0.6209848581776659
Energy: 0.6210342622770159
Energy: 0.6209848581776659
Energy: 0.7860261487705077
Energy: 0.6218308073304717
Energy: 0.624575932422714
Energy: 0.6218308073299612
Energy: 0.6052717008175734
Energy: 0.6331352849293381
Energy: 0.6223962314921538
Energy: 0.6331352849303588
Energy: 0.6219496756255664
Energy: 0.6215860285526159
Energy: 0.6935268499512768
Energy: 0.6215860285566986
Energy: 0.620305458345531
Energy: 0.6209630434299888
Energy: 0.6946034959129007
Energy: 0.6209630434345816
Energy: 0.6248978209282213
Energy: 0.6234532899540985
Energy: 0.7081935719414801
Energy: 0.6234532899530779
Energy: 0.6220152310016582
Energy: 0.6210834145701027
Energy: 0.6052738573091928
Energy: 0.6210834145716337
Energy: 0.7125136041813998
Energy: 0.6220277116195644
Energy: 0.6914023264902943
Energy: 0.6220277116236471
Energy: 0.7135892593825306
Energy: 0.7340857993034693
Energy: 0.7826204246412402
Energy: 0.7340857993024485
Energy: 0.707435692677829
Energy: 0.6503348199885918
Energy: 0.7885750188505952
Energy: 0.6503348199901228
Energy: 0.6943318774147773
Energy: 0.6033527007920365
Energy: 0.6904159270091024
Energy: 0.6033527007910158
Energy: 0.6956774332304988
Energy: 0.6034213840315782
Energy: 0.6033272260571311
Energy: 0.6034213840305576
Energy: 0.7072342395646354
Energy: 0.6039772562500305
Energy: 0.603498586178342
Energy: 0.6039772562500305
Energy: 0.7273200355931093
Energy: 0.6035850925551313
Energy: 0.6050666954503795
Energy: 0.6035850925520692
Energy: 0.7091822228696499
Energy: 0.6041822568880514
Energy: 0.6955179900489186
Energy: 0.6041822568880514
Energy: 0.7128184555029171
Energy: 0.6530533541171823
Energy: 0.7325629002448157
Energy: 0.6530533540702775
Energy: 0.6359260103981869
Energy: 0.6207405141691729
Energy: 0.691882289660473
Energy: 0.6207405138248796
Energy: 0.707047533438965
Energy: 0.6201581527943321
Energy: 0.805382579973956
Energy: 0.6201581527938218
Energy: 0.6208165052522722
Energy: 0.6207009683529431
Energy: 0.6232889167903602
Energy: 0.6207009683529431
Energy: 0.6201790810358553
Energy: 0.6213480166378832
Energy: 0.6232259388610213
Energy: 0.6213480166378832
Energy: 0.6255401230305949
Energy: 0.6224631990692978
Energy: 0.7901167398413503
Energy: 0.6224631990687873
Energy: 0.623361034416129
Energy: 0.6311616911555092
Energy: 0.6046164656019992
Energy: 0.6311616911549989
Energy: 0.9488860691420731
Energy: 0.6213275055132796
Energy: 0.6217567541759839
Energy: 0.6213275055000108
Energy: 0.6931571356264201
Energy: 0.6200441410599339
Energy: 0.6200737116533913
Energy: 0.6200441410609544
Energy: 0.7767561672217804
Energy: 0.6215667690222031
Energy: 0.6217237316803953
Energy: 0.6215667690216928

minimum gb energy = 0.6030855180738265 eV
minimum distance =  2.61354427337484 Angstroms
sigma value = 89


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

Energy: 1.118581008704809
Energy: 0.5625780824966198
Energy: 0.6896700691153258
Energy: 0.5625780825006257
Energy: 0.5663454124670286
Energy: 0.6183803104948904
Energy: 0.5724773312986655
Energy: 0.6183803104948904
Energy: 0.5681310033513678
Energy: 0.6171932996171999
Energy: 0.5706520453772859
Energy: 0.6171932996171999
Energy: 0.5624122012346052
Energy: 0.6170279912438731
Energy: 0.5676793140489599
Energy: 0.6170279912438731
Energy: 0.5660674499923718
Energy: 0.5660409989746741
Energy: 0.5718388307233995
Energy: 0.5660409989733387
Energy: 0.5665965422125643
Energy: 0.5651148924710042
Energy: 0.5710187443438227
Energy: 0.5651148924710042
Energy: 0.5652684476080536
Energy: 0.5646251161667176
Energy: 0.5687302752649609
Energy: 0.5646251161613765
Energy: 0.566987131101563
Energy: 0.5663515944572899
Energy: 0.5695826149624286
Energy: 0.566351594458625
Energy: 0.5684808202868026
Energy: 0.5661363224927992
Energy: 0.5685476839014316
Energy: 0.5661363224927992
Energy: 0.5709312420385333
Energy: 0.6148141696131085
Energy: 0.5694862789906663
Energy: 0.6148141696131085
Energy: 0.5689181070460773
Energy: 0.6137060407440799
Energy: 0.5607246524312894
Energy: 0.6137060407440799
Energy: 0.5703974777841956
Energy: 0.5651612245566467
Energy: 0.5679470153413162
Energy: 0.5651612245579821
Energy: 0.5647114162561102
Energy: 0.5669265990906848
Energy: 0.5671438968076706
Energy: 0.5669265990840082
Energy: 0.5684049914293376
Energy: 0.5645072457764299
Energy: 0.5642641466593576
Energy: 0.5645072457750946
Energy: 0.5734488935097884
Energy: 0.5672578882665691
Energy: 0.5669408279565828
Energy: 0.5672578882638987

minimum gb energy = 0.5607246524312894 eV
minimum distance =  2.63597601152301 Angstroms
sigma value = 13


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

Energy: 0.9811651860839511
Energy: 0.5351876816653937
Energy: 0.6772296191715713
Energy: 0.5351876816670728
Energy: 0.5508576714784262
Energy: 0.5416865643082972
Energy: 0.6366901860110257
Energy: 0.5416865643094166
Energy: 0.5479842330713809
Energy: 0.5397450494726849
Energy: 0.6440485552135871
Energy: 0.5397450494710059
Energy: 0.7455281184214897
Energy: 0.5399786846025767
Energy: 0.6354286335571131
Energy: 0.5399786845818686
Energy: 0.6382699282466326
Energy: 0.540462415051909
Energy: 0.635454568337835
Energy: 0.5404624150507895
Energy: 0.636689961159614
Energy: 0.5408547773690872
Energy: 0.6349235725030875
Energy: 0.5408547773724453
Energy: 0.6375282128858039
Energy: 0.5392393394088753
Energy: 0.633751193955943
Energy: 0.5392393394099945
Energy: 0.6358358815442798
Energy: 0.5399356514475527
Energy: 0.6374805768468434
Energy: 0.5399356514324415
Energy: 0.5389570010385899
Energy: 0.5387838018651674
Energy: 0.6441862041552397
Energy: 0.5387838018662868
Energy: 0.5395209443098469
Energy: 0.5394210256883502
Energy: 0.6423983793705643
Energy: 0.5394210256894695
Energy: 0.5405801017138201
Energy: 0.5396366796414356
Energy: 0.981800805589776
Energy: 0.5396365010017424
Energy: 0.6416571551460043
Energy: 0.5390821637569686
Energy: 0.6370359149762778
Energy: 0.5390821637026798
Energy: 0.6367640585900207
Energy: 0.5644565826809238
Energy: 0.6402755085569759
Energy: 0.5644565826814836
Energy: 0.6356525866928283
Energy: 0.5646431826304343
Energy: 0.7448776067124065
Energy: 0.5646431826315537
Energy: 0.6393714636970894
Energy: 0.5404111607775848
Energy: 0.6358257723980153
Energy: 0.5404111607775848
Energy: 0.6385846369813015
Energy: 0.5402564829852966
Energy: 0.5418367979331916
Energy: 0.5402564829662674
Energy: 0.6358118558679318
Energy: 0.5398514296191058
Energy: 0.5412826827459696
Energy: 0.5398514296219042
Energy: 0.5455755916147607
Energy: 0.5399189625515837
Energy: 0.5415576506045113
Energy: 0.5399189625527028
Energy: 0.7327755392987861
Energy: 0.5396979878123256
Energy: 0.6333307767124559
Energy: 0.5396979878112064
Energy: 0.6416011754512575
Energy: 0.5398102714329017
Energy: 0.6462416322909349
Energy: 0.5398102714334614
Energy: 0.7479681106727317
Energy: 0.5397680265941766
Energy: 0.6333594294157078
Energy: 0.5397680265930571
Energy: 0.6414429025887144
Energy: 0.5788935745125414
Energy: 0.6406472268154514
Energy: 0.5788935745125414
Energy: 0.6343747644236181
Energy: 0.5399618552781428
Energy: 0.6361638535288566
Energy: 0.5399618552809411
Energy: 0.5451980394656313
Energy: 0.5394237068438236
Energy: 0.6356400637271238
Energy: 0.539423706841585
Energy: 0.6338455249877417
Energy: 0.5392841082706225
Energy: 0.6386793925436073
Energy: 0.5392841082717419
Energy: 0.5394445187534663
Energy: 0.5389302310416505
Energy: 0.6378947541849852
Energy: 0.5389302310438893
Energy: 0.5389275241138354
Energy: 0.539954360062383
Energy: 0.6388912841043427
Energy: 0.5399543600629426
Energy: 0.540344126926407
Energy: 0.5391656693006478
Energy: 0.5466486728729117
Energy: 0.5391656693006478
Energy: 0.6392005422144929
Energy: 0.540107513616602
Energy: 0.7327144927200084
Energy: 0.5401075136177215
Energy: 0.6458254046385428
Energy: 0.5647749521121224
Energy: 0.637927000166455
Energy: 0.5647749521138015
Energy: 0.6360896270708224
Energy: 0.5651329424987938
Energy: 0.7483955752313172
Energy: 0.5651329424954357
Energy: 0.6384571654394678
Energy: 0.5400036588251854
Energy: 0.6373852620765588
Energy: 0.5400036588291032
Energy: 0.640612089994208
Energy: 0.5396058465009657
Energy: 0.5401391195307664
Energy: 0.5396058465009657
Energy: 0.7358753681006939
Energy: 0.5393927412746669
Energy: 0.5398726261614639
Energy: 0.5393927412741072
Energy: 0.744437618910618
Energy: 0.5393470714902915
Energy: 0.5400066542176285
Energy: 0.5393470714886125

minimum gb energy = 0.5351876816653937 eV
minimum distance =  2.63162844251372 Angstroms
sigma value = 37


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

Energy: 0.955909854192121
Energy: 0.4972643628995824
Energy: 0.5105707237372777
Energy: 0.49726436289861947
Energy: 0.5771132539042336
Energy: 0.5090141136440123
Energy: 0.6628290873080612
Energy: 0.5090141136440123
Energy: 0.7263789715527147
Energy: 0.5634640148489963
Energy: 0.6656362574381227
Energy: 0.5634640148489963
Energy: 0.5724549679447027
Energy: 0.5073665161745908
Energy: 0.5127358196853257
Energy: 0.5073665162082925
Energy: 0.6542646370817177
Energy: 0.4909453470746499
Energy: 0.7232412058509137
Energy: 0.4909453470756129
Energy: 0.575537163990627
Energy: 0.49248807333424705
Energy: 0.5738002254835045
Energy: 0.49248807333424705
Energy: 0.5789516962069333
Energy: 0.49286867837526366
Energy: 0.49590550197700467
Energy: 0.49286867837526366
Energy: 0.5792617689936352
Energy: 0.4941547582081046
Energy: 0.5778251030914305
Energy: 0.4941547582081046
Energy: 0.5758458535140717
Energy: 0.491098303085985
Energy: 0.5798860440819313
Energy: 0.491098303085985
Energy: 0.5745472756729588
Energy: 0.4909181987264859
Energy: 0.4950050759740428
Energy: 0.49091819872552295
Energy: 0.604840477679273
Energy: 0.6045592995662816
Energy: 0.8462942947692844
Energy: 0.6045592995710962
Energy: 0.7297798642595567
Energy: 0.4908458564776929
Energy: 0.4947844501294745
Energy: 0.4908458564776929
Energy: 0.7276324008558678
Energy: 0.5469230170089822
Energy: 0.5726936497239836
Energy: 0.5469230170089822
Energy: 0.5805258121102617
Energy: 0.49281733398112754
Energy: 0.5727781376956887
Energy: 0.4928173339657211
Energy: 0.7232412058509137
Energy: 0.5463076523052143
Energy: 0.496292370434319
Energy: 0.5463076523052143
Energy: 0.5738002255017999
Energy: 0.5469100371802018
Energy: 0.5754357212624068
Energy: 0.5469100371811648
Energy: 0.8022678936238116
Energy: 0.5458597966701654
Energy: 0.579193250562451
Energy: 0.5458597966701654
Energy: 0.5778251016082491
Energy: 0.5090576821651229
Energy: 0.5129217922713485
Energy: 0.5090576821651229
Energy: 0.5798860439606709
Energy: 0.5078682424957441
Energy: 0.5088027751561586
Energy: 0.5078682424957441
Energy: 0.575413138763241
Energy: 0.5086541275048783
Energy: 0.5093855651811545
Energy: 0.5086541275048783

minimum gb energy = 0.4908458564776929 eV
minimum distance =  2.6321460169413 Angstroms
sigma value = 25


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

Energy: 1.1099768065493238
Energy: 0.4449081099208561
Energy: 0.6050265522145133
Energy: 0.44490810992010427
Energy: 0.7220271255505449
Energy: 0.4486448859470271
Energy: 0.5769263274126796
Energy: 0.4486448859485309
Energy: 0.6431754211203412
Energy: 0.44976207617947933
Energy: 0.5784474296294726
Energy: 0.44976207617947933
Energy: 0.7581573118909287
Energy: 0.44960277710204377
Energy: 0.6940181026705946
Energy: 0.44960277710354757
Energy: 0.700863177246198
Energy: 0.493521461025162
Energy: 0.7114505888603002
Energy: 0.493521461025162
Energy: 0.7526467855304574
Energy: 0.49293665465719316
Energy: 0.7146567294419666
Energy: 0.49293665465719316
Energy: 0.7561805084986671
Energy: 0.444230579364315
Energy: 0.7000804575901769
Energy: 0.44423057936503274
Energy: 0.5694241213851912
Energy: 0.44185164948167693
Energy: 0.7562486904897757
Energy: 0.44185164938697125
Energy: 0.5723473977046646
Energy: 0.44215646884805077
Energy: 0.6973637021775957
Energy: 0.4421564688488026
Energy: 0.5693463487991496
Energy: 0.4409077304510537
Energy: 0.6968577059468736
Energy: 0.4409077304510537
Energy: 0.5100049440486054
Energy: 0.4426384614859643
Energy: 0.9410831298198078
Energy: 0.44263846585182154
Energy: 0.5077296286142134
Energy: 0.44146827777532627
Energy: 0.6988699771772456
Energy: 0.44146827777532627
Energy: 0.5085872328212137
Energy: 0.4430507679298011
Energy: 0.6968114511526167
Energy: 0.4430507679298011
Energy: 0.5133699044950604
Energy: 0.4423206800750058
Energy: 0.7061758125327405
Energy: 0.4423206800757577
Energy: 0.635438143670259
Energy: 0.44116237770787203
Energy: 0.7009858354897339
Energy: 0.4411623777086239
Energy: 0.6339347099851449
Energy: 0.4419486928301648
Energy: 0.6445261938790479
Energy: 0.4419486928294129
Energy: 0.7017681235367791
Energy: 0.44303559843148355
Energy: 0.6439240634070872
Energy: 0.44303559843298734
Energy: 0.6380563616497104
Energy: 0.487848683945118
Energy: 0.7027125140433761
Energy: 0.487848683945118
Energy: 0.7056768654804854
Energy: 0.484466017014981
Energy: 0.7555401261371233
Energy: 0.48446601701422903
Energy: 0.7006961967133085
Energy: 0.48681365334406085
Energy: 0.7523049287646107
Energy: 0.48681365334406085
Energy: 0.9417071246576801
Energy: 0.45042658287043846
Energy: 0.5803668501249493
Energy: 0.45042658288096515
Energy: 0.7006778099827572
Energy: 0.4488521602585712
Energy: 0.5074319039959085
Energy: 0.4488521602578194
Energy: 0.6346557629364562
Energy: 0.4494724366612672
Energy: 0.5758517294179464
Energy: 0.44947243666277104
Energy: 0.7612327305163384
Energy: 0.4497054259671175
Energy: 0.45089808796516095
Energy: 0.4497054259663656
Energy: 0.7030165631436701
Energy: 0.4495594568702736
Energy: 0.448944394824637
Energy: 0.4495594568702736
Energy: 0.6425099512021274
Energy: 0.4489336220894398
Energy: 0.44994622355722114
Energy: 0.4489336220894398

minimum gb energy = 0.4409077304510537 eV
minimum distance =  2.63220294251307 Angstroms
sigma value = 41


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

Energy: 1.131978301234868
Energy: 0.4069624101657717
Energy: 0.5645496883222167
Energy: 0.40696241016145673
Energy: 0.799244002711435
Energy: 0.4034477436810681
Energy: 0.5092198512745056
Energy: 0.40344774367983527
Energy: 0.8141834352912616
Energy: 0.4031333140761159
Energy: 0.5099174833698427
Energy: 0.4031333140761159
Energy: 0.8080514398741587
Energy: 0.40393834397481193
Energy: 0.6267734022690763
Energy: 0.4039383439723461
Energy: 0.8026802065712096
Energy: 0.40264521994159863
Energy: 0.7128037548772121
Energy: 0.40264521993974933
Energy: 0.8038558849642319
Energy: 0.5290749112101241
Energy: 0.7099101559793223
Energy: 0.5290749112095077
Energy: 0.8085696977211669
Energy: 0.44122590192704586
Energy: 0.8025124355246253
Energy: 0.4412259019251966
Energy: 0.717586146550047
Energy: 0.44010121836274024
Energy: 0.7144617716669545
Energy: 0.44010121836212374
Energy: 0.6137745936524502
Energy: 0.44003261638138186
Energy: 0.8071256166084232
Energy: 0.4400326163881627
Energy: 0.6139929346658012
Energy: 0.4028836242169851
Energy: 0.8053423888772996
Energy: 0.4028836242163687
Energy: 0.5143967382305638
Energy: 0.404242158197828
Energy: 0.9969392489104216
Energy: 0.40424215820152654
Energy: 0.5083808605477692
Energy: 0.40273670108782067
Energy: 0.8062147264249722
Energy: 0.4027367010872043
Energy: 0.509328535312614
Energy: 0.40330802130608867
Energy: 0.8075589424102406
Energy: 0.40330802130608867
Energy: 0.4061690093731963
Energy: 0.4035095523020957
Energy: 0.811887826019169
Energy: 0.4035095523027121
Energy: 0.403344340591505
Energy: 0.403782026353081
Energy: 0.8034917655281227
Energy: 0.4037820263536975
Energy: 0.40442173751049565
Energy: 0.4039570760375365
Energy: 0.7980931304213198
Energy: 0.40395707603815295
Energy: 0.5136077061494474
Energy: 0.40375045411597316
Energy: 0.80061376155353
Energy: 0.4037504541135074
Energy: 0.5085790268357337
Energy: 0.4034204460186635
Energy: 0.8034438174625971
Energy: 0.40342042956707286
Energy: 0.5107896690257964
Energy: 0.403451057265416
Energy: 0.8062675947692586
Energy: 0.4034510572537037
Energy: 0.7099586525241068
Energy: 0.40330769728473437
Energy: 0.8035709561040785
Energy: 0.4033076972865837
Energy: 0.7389772071802783
Energy: 0.5302875111492017
Energy: 0.8027002375185374
Energy: 0.5302875111479689
Energy: 0.7106150579192763
Energy: 0.4052897137331971
Energy: 0.8123068442454158
Energy: 0.4052897137313478
Energy: 0.8082611684091181
Energy: 0.439258183709889
Energy: 0.8011796321214851
Energy: 0.43925818370002606
Energy: 0.7133097601089513
Energy: 0.4051816278310059
Energy: 0.7103749251619778
Energy: 0.4051816278328272
Energy: 0.8023146913272209
Energy: 0.5294904310458028
Energy: 0.6133192448806354
Energy: 0.5294904310476521
Energy: 0.8107275221511715
Energy: 0.403083143067259
Energy: 0.7087237299792083
Energy: 0.40308314306664256
Energy: 0.8096108420247885
Energy: 0.40352357621981355
Energy: 0.5109994814542573
Energy: 0.40352357622043006
Energy: 0.8027998074456237
Energy: 0.4033291694091662
Energy: 0.5083736238700285
Energy: 0.4033291694073169
Energy: 0.8078195095200633
Energy: 0.40305819281077043
Energy: 0.5134493463569199
Energy: 0.403058192814441
Energy: 0.8096400345768296
Energy: 0.40341218708911286
Energy: 0.4043234024529043
Energy: 0.40341218708911286
Energy: 0.8038574581483569
Energy: 0.40334301133189826
Energy: 0.40303882153927595
Energy: 0.40334301133189826
Energy: 0.797894598380485
Energy: 0.40358805068318965
Energy: 0.40602051766276015
Energy: 0.40358805068380615

minimum gb energy = 0.40264521993974933 eV
minimum distance =  2.64459291361889 Angstroms
sigma value = 15


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

Energy: 0.9729863209355266
Energy: 0.3772117761824694
Energy: 0.5384326133018442
Energy: 0.3772117761903026
Energy: 0.8677120589660754
Energy: 0.3733507075250895
Energy: 0.4623272265003818
Energy: 0.37335070752561167
Energy: 0.8784606539599582
Energy: 0.37357083206746644
Energy: 0.4625613124609336
Energy: 0.3735708320648554
Energy: 0.8797911953090193
Energy: 0.37402286051790723
Energy: 0.6445228479578599
Energy: 0.37402286051477396
Energy: 0.8696194287164513
Energy: 0.3724595511247403
Energy: 0.6389285420879474
Energy: 0.3724595511351844
Energy: 0.8765304081627131
Energy: 0.37933515781350524
Energy: 0.6382000385472931
Energy: 0.37933515781559407
Energy: 0.7246941958014377
Energy: 0.37821958853301346
Energy: 0.7265368978200376
Energy: 0.37821958854972404
Energy: 0.799836063852075
Energy: 0.4054924111424915
Energy: 0.6484388032582117
Energy: 0.40549241113988044
Energy: 0.7242543676987534
Energy: 0.5902344518802907
Energy: 0.7952537185513977
Energy: 0.5902344518792463
Energy: 0.7223366786911433
Energy: 0.40531532130012676
Energy: 0.8722032341810051
Energy: 0.4053153213053488
Energy: 0.6448285734649638
Energy: 0.3735847360874652
Energy: 0.8624359419761187
Energy: 0.37358473608903175
Energy: 0.5494894838397255
Energy: 0.3786637404195866
Energy: 0.8718616194930423
Energy: 0.3786637404425638
Energy: 0.6389625701028367
Energy: 0.3725566719130504
Energy: 0.8737353322005882
Energy: 0.3725566719161837
Energy: 0.4682504215990046
Energy: 0.373908130240215
Energy: 0.8062330098328061
Energy: 0.37390813023969277
Energy: 0.46369240959431746
Energy: 0.37445690280666316
Energy: 0.8702343864338579
Energy: 0.37445690280614097
Energy: 0.4664747958566861
Energy: 0.37386132524535953
Energy: 0.8766599877973364
Energy: 0.3738613252448373
Energy: 0.3750843859188312
Energy: 0.37311247281798804
Energy: 0.8826398710915141
Energy: 0.3731124728195547
Energy: 0.3735073457994914
Energy: 0.3733492646314469
Energy: 0.8696661698944225
Energy: 0.37334926463196916
Energy: 0.3746242526287344
Energy: 0.3734014814223637
Energy: 0.8780805549947253
Energy: 0.37340148142288593
Energy: 0.46730450177669114
Energy: 0.37394959171517883
Energy: 0.8810728194144628
Energy: 0.3739495917146567
Energy: 0.46060115069929447
Energy: 0.37323949959673763
Energy: 0.8696284462999815
Energy: 0.3732394995936043
Energy: 0.46845339033099964
Energy: 0.3738502022465995
Energy: 0.8804775910386109
Energy: 0.3738502022465995
Energy: 0.63842732674913
Energy: 0.3728119431529635
Energy: 0.8717176482438914
Energy: 0.3728119431728074
Energy: 0.6417007337991096
Energy: 0.37893401848366803
Energy: 0.8718528708389398
Energy: 0.3789340184815792
Energy: 0.6462690070944541
Energy: 0.3734589452237723
Energy: 0.7512662736574989
Energy: 0.3734589452237723
Energy: 0.8002735648069248
Energy: 0.4932539508178892
Energy: 0.8731363973058078
Energy: 0.493253950817367
Energy: 0.6390966367060155
Energy: 0.40417833978092665
Energy: 0.7964292973185775
Energy: 0.40417833978249323
Energy: 0.7983436455225726
Energy: 0.40540042294312445
Energy: 0.7335310571459088
Energy: 0.40540042294051337
Energy: 0.8019177165400025
Energy: 0.3759430759581849
Energy: 0.7983622913193582
Energy: 0.3759430759617928
Energy: 0.79914849978602
Energy: 0.3793668352760067
Energy: 0.638276240848126
Energy: 0.3793668352770512
Energy: 0.8695434920378016
Energy: 0.37295452043893385
Energy: 0.5494095614833573
Energy: 0.37295457387686676
Energy: 0.8069505795131549
Energy: 0.37339609372700777
Energy: 0.6454035407987689
Energy: 0.3733960936074694
Energy: 0.8745518240646452
Energy: 0.3736333428420307
Energy: 0.4627745887626506
Energy: 0.37363334285143046
Energy: 0.8711392869459261
Energy: 0.3730075288275482
Energy: 0.4636785452122139
Energy: 0.37300752882807037
Energy: 0.8816477689038639
Energy: 0.37334452673657187
Energy: 0.37653339642965067
Energy: 0.3733445267240389
Energy: 0.8727211907340386
Energy: 0.3740514148657439
Energy: 0.37338121175826655
Energy: 0.37405141486469945
Energy: 0.8766761355133211
Energy: 0.3731055479134848
Energy: 0.37367852080536784
Energy: 0.3731055479150514

minimum gb energy = 0.3724595511247403 eV
minimum distance =  2.64569274052587 Angstroms
sigma value = 85


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

Energy: 1.0964060091274133
Energy: 0.18466821969470207
Energy: 0.33817487434843857
Energy: 0.1839713012427468
Energy: 0.9086498918219289
Energy: 0.3358924683484981
Energy: 0.41489098929314033
Energy: 0.33589246834895103
Energy: 0.9086811458066304
Energy: 0.33590871903123537
Energy: 0.41508797845239453
Energy: 0.33590871903123537
Energy: 0.8095749761518012
Energy: 0.3364636330192706
Energy: 0.569621583032804
Energy: 0.3364636330201765
Energy: 0.9097716079133371
Energy: 0.33544750664992606
Energy: 0.5701566699906104
Energy: 0.3354475066512848
Energy: 0.8147841819380861
Energy: 0.3358704076096546
Energy: 0.5707683069299097
Energy: 0.3358704076096546
Energy: 0.8100949298187027
Energy: 0.3364187834339918
Energy: 0.715080966875178
Energy: 0.3364187834407854
Energy: 0.8477101574208733
Energy: 0.33687016102563505
Energy: 0.6148881298720975
Energy: 0.3368701610247293
Energy: 0.8127008094409255
Energy: 0.3359518612971027
Energy: 0.7129005705380038
Energy: 0.33595186129755555
Energy: 0.8184988896202269
Energy: 0.5422187340262137
Energy: 0.8437638308823474
Energy: 0.5422187340262137
Energy: 0.7178956403551705
Energy: 0.33480228258942357
Energy: 0.7509177414947644
Energy: 0.334802282597123
Energy: 0.6830248648338101
Energy: 0.3340583047960745
Energy: 0.8435827125489905
Energy: 0.33405830479380993
Energy: 0.7135539014866529
Energy: 0.3343678262461753
Energy: 0.8783367368754713
Energy: 0.3343678262538748
Energy: 0.5743706334633754
Energy: 0.33453098538537857
Energy: 0.7532179004667869
Energy: 0.3345309853858315
Energy: 0.5303344703592145
Energy: 0.33489305794405655
Energy: 0.7795523016739636
Energy: 0.3348930579463211
Energy: 0.5710821600589211
Energy: 0.33394428561111
Energy: 0.8796353648906061
Energy: 0.33394428561020423
Energy: 0.4169091419729314
Energy: 0.33519742966246496
Energy: 0.8744528136517862
Energy: 0.3351974296629179
Energy: 0.41675674312370753
Energy: 0.33512011390416907
Energy: 0.9068028461255523
Energy: 0.3351201139019045
Energy: 0.41610040512480295
Energy: 0.333963330671009
Energy: 0.8116277083662209
Energy: 0.33396333067282064
Energy: 0.37568336664229357
Energy: 0.33389229601222126
Energy: 0.8120177532766936
Energy: 0.33389229601222126
Energy: 0.3720485157188924
Energy: 0.3336248282033858
Energy: 0.9066053788130913
Energy: 0.33362482820293293
Energy: 0.3771804254360922
Energy: 0.33479137574307666
Energy: 0.9059714612561972
Energy: 0.33479137574307666
Energy: 0.45508659208538665
Energy: 0.33368148116813345
Energy: 0.7820166214356479
Energy: 0.33368148116768054
Energy: 0.4497933371371426
Energy: 0.3335306225827495
Energy: 0.9103131592921957
Energy: 0.3335306225827495
Energy: 0.455381797449779
Energy: 0.3353301874672019
Energy: 0.8276271119037619
Energy: 0.33533018745995524
Energy: 0.5686116478661778
Energy: 0.3336098834350905
Energy: 0.8113974315348513
Energy: 0.3336098834355434
Energy: 0.5702874863311513
Energy: 0.33367609659629166
Energy: 0.8758509964123841
Energy: 0.33367609659629166
Energy: 0.5706951363432328
Energy: 0.33420145390357003
Energy: 0.8121047730331535
Energy: 0.3342014539108167
Energy: 0.7151363409899679
Energy: 0.33360278484188033
Energy: 0.7788860739918253
Energy: 0.3336027848513915
Energy: 0.7124953905709046
Energy: 0.3335144385156427
Energy: 0.813321565538585
Energy: 0.3335144383164434
Energy: 0.7842734839810296
Energy: 0.45681920424383426
Energy: 0.6857538952445782
Energy: 0.4568192042406638
Energy: 0.7443885156631548
Energy: 0.4318811652279226
Energy: 0.7801141136169966
Energy: 0.4318811652279226
Energy: 0.8477133964279532
Energy: 0.4338436668198192
Energy: 0.6795008650322882
Energy: 0.43384366682027203
Energy: 0.7833832007070058
Energy: 0.33661918175336825
Energy: 0.6811038497486015
Energy: 0.3366191817710319
Energy: 0.743922671259838
Energy: 0.33631911429265565
Energy: 0.57032835793216
Energy: 0.3363191143089605
Energy: 0.9117654452882942
Energy: 0.33576583472750976
Energy: 0.5697119356814427
Energy: 0.3357658347270568
Energy: 0.8125692088537559
Energy: 0.3355699341896664
Energy: 0.5699905148500418
Energy: 0.3355699341896664
Energy: 0.8739249329551669
Energy: 0.33704014139331834
Energy: 0.4187402198879541
Energy: 0.3370401413928655
Energy: 0.9103555047075504
Energy: 0.3356185033454896
Energy: 0.4129137487003778
Energy: 0.3356185033450367
Energy: 0.8128268796275724
Energy: 0.3359695197969463
Energy: 0.41797234212425943
Energy: 0.33596951979739914
Energy: 0.8888110016272777
Energy: 0.3369644210377852
Energy: 0.33678033827470893
Energy: 0.3369644210377852
Energy: 0.9095704431778917
Energy: 0.3361855447074443
Energy: 0.3357257017750209
Energy: 0.3361855447074443
Energy: 0.8750047230309512
Energy: 0.3363342348729125
Energy: 0.3363802126810219
Energy: 0.3363342348729125

minimum gb energy = 0.1839713012427468 eV
minimum distance =  2.64355197196111 Angstroms
sigma value = 113


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

Energy: 0.013052897666749417
Energy: 0.013711469800052266
Energy: 0.7557220148409762
Energy: 0.013711469800052266
Energy: 0.014551591787957513
Energy: 0.07640007457560334
Energy: 0.5783265008051786
Energy: 0.07640007457560334
Energy: 0.013651611530599184
Energy: 0.07501370567433892
Energy: 0.5771146011124878
Energy: 0.07501370567433892
Energy: 0.01449871271088303
Energy: 0.0759403010740572
Energy: 0.5812457589195158
Energy: 0.0759403010740572
Energy: 0.5796257834562655
Energy: 0.07605739326695363
Energy: 0.5802806218930827
Energy: 0.07605739326695363
Energy: 0.01341714158305098
Energy: 0.0747324986062808
Energy: 0.5775113151350332
Energy: 0.0747324986062808

minimum gb energy = 0.013052897666749417 eV
minimum distance =  2.8502551163255 Angstroms
sigma value = 1