Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.85487599670887
cohesive_energy=3.874281369635567
mass=55.845
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=[1.0819610961766379e-19, 1.91867060628036e-19, 2.6127175023628197e-19, 3.2265434143809e-19, 3.7218242772493196e-19, 4.11354044249598e-19, 4.423801947670079e-19, 4.67668950758064e-19, 4.89386455031934e-19, 5.0881925542572e-19, 5.26390326570798e-19, 5.421429272362859e-19, 5.560994878950599e-19, 5.68333708672284e-19, 5.78964150638874e-19, 5.88147827104962e-19, 5.96028933967608e-19, 6.027372475341659e-19, 6.083464679297999e-19, 6.12887036510556e-19, 6.16370168512872e-19, 6.188070791731859e-19, 6.20225005494276e-19, 6.20680023658332e-19, 6.202009728447659e-19, 6.18682109395734e-19, 6.15998463533784e-19, 6.120074415384899e-19, 6.065263952735759e-19, 5.9935825701305995e-19, 5.902659046151099e-19, 5.78983376758482e-19, 5.652158729425199e-19, 5.48287274627676e-19, 5.2690782962358e-19, 4.995458570681279e-19, 4.64139355633362e-19, 4.1881698301077e-19, 3.6221688906145197e-19, 2.9257347513474e-19, 2.07028458115578e-19, 9.86503412322918e-20, -5.42678054232042e-20, -2.84419998244314e-19, -6.53515031595528e-19, -1.272669783098292e-18, -2.3511301233296397e-18, -4.3375888229945395e-18, -8.323227504798299e-18, -1.7127107999796598e-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: -0.141421623913241 eV

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

Energy: 0.011979807049652742
Energy: 0.9395595285202663
Energy: 1.662246565523609
Energy: 0.9395595285192886
Energy: 0.9395595285192886
Energy: 0.21405836860452826
Energy: 0.9390378705052497
Energy: 0.21405836860452826
Energy: 1.6622465655245868
Energy: 0.9390378705042719
Energy: 1.2665011332501916
Energy: 0.9390378705032661
Energy: 0.939559528517333
Energy: 0.21405836860452826
Energy: 0.9390378705032661
Energy: 0.21405836860452826

minimum gb energy = 0.011979807049652742 eV
minimum distance =  2.43083273275987 Angstroms
sigma value = 1


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

Energy: 2.000759924308626
Energy: 0.896880417694021
Energy: 0.8970530188846347
Energy: 0.8968804176806046
Energy: 1.769358817672999
Energy: 0.997315240392273
Energy: 0.9674789781703022
Energy: 0.997315240384955
Energy: 1.7815799598899267
Energy: 0.8989650492640128
Energy: 0.8989236398762176
Energy: 0.8989650492627931
Energy: 1.774210295837089
Energy: 0.9252385346944025
Energy: 0.8987560027660753
Energy: 0.9252385346870845
Energy: 1.849691333363688
Energy: 0.897168508035315
Energy: 1.2943457664382774
Energy: 0.8971685080365068
Energy: 1.774435814056059
Energy: 0.9254284719755258
Energy: 1.2107959446834151
Energy: 0.9254284719743061
Energy: 1.6961960849977478
Energy: 0.8985067707287145
Energy: 1.2271327127705303
Energy: 0.8985067707262753
Energy: 1.519107608028922
Energy: 0.8971373323493114
Energy: 1.190408984509393
Energy: 0.8971373323456523
Energy: 1.4546111400362762
Energy: 0.8965672723909842
Energy: 1.1898514582641138
Energy: 0.8965672723897645
Energy: 1.5284434291556885
Energy: 0.9629200534616897
Energy: 1.5253571672725459
Energy: 0.9629200534641292
Energy: 1.5173423630240659
Energy: 0.896893640529025
Energy: 1.437618470039715
Energy: 0.8968936405265857
Energy: 1.1940193134951331
Energy: 0.8969066210752782
Energy: 1.5250882572075053
Energy: 0.8969066210813765
Energy: 1.2585911807945431
Energy: 0.8997190499159323
Energy: 1.5181127146006925
Energy: 0.8997190499147127
Energy: 1.2112900401094486
Energy: 0.9262170477242228
Energy: 1.7767658541659244
Energy: 0.9262170477254423
Energy: 1.2172997813145154
Energy: 0.8974218250492028
Energy: 1.591106604018416
Energy: 0.8974218250492028
Energy: 0.8969917013510147
Energy: 0.9251538291854267
Energy: 1.7859805849055863
Energy: 0.9251538291866463
Energy: 0.8988571909913974
Energy: 0.8984111878793274
Energy: 1.7826897374827533
Energy: 0.8984111878854258
Energy: 0.9666361246682316
Energy: 0.9646669754473923
Energy: 1.7664641326415562
Energy: 0.9646669754498316
Energy: 0.8976168030270337
Energy: 0.8973963860833759
Energy: 1.6773264202758433
Energy: 0.8973963860845956
Energy: 1.0135097829204813
Energy: 0.9651045868892241
Energy: 1.77158754726163
Energy: 0.9651045868916633
Energy: 1.0057904241923326
Energy: 0.8978471684679156
Energy: 1.7741907358761086
Energy: 0.8978471684666959
Energy: 1.004776578051919
Energy: 0.8968869804749191
Energy: 1.6973100611461578
Energy: 0.8968869804773585
Energy: 1.005225974330403
Energy: 0.8970616822356083
Energy: 1.514408531644643
Energy: 0.8970616822356083
Energy: 1.3581191929253855
Energy: 0.8972502734188782
Energy: 1.6987264638282524
Energy: 0.897250273424949
Energy: 1.3838512554639704
Energy: 1.049556972024797
Energy: 1.6865270322949812
Energy: 1.0495569719675002
Energy: 1.3590269385060245
Energy: 1.1568033469725663
Energy: 1.3544385800633727
Energy: 1.1568033469725663
Energy: 1.359896080177445
Energy: 1.1568992961328124
Energy: 1.3820520657429018
Energy: 1.1568992961279336
Energy: 1.697516933573879
Energy: 0.8992677001383675
Energy: 1.3536377930079324
Energy: 0.8992677001334888
Energy: 1.591899867880478
Energy: 0.8969229422702903
Energy: 1.3646875087900006
Energy: 0.8969229422678512
Energy: 1.5966306977135745
Energy: 0.8971884916050634
Energy: 1.0063652577846698
Energy: 0.8971884916050634
Energy: 1.6866934951522115
Energy: 0.8974904345597133
Energy: 1.0205492357146848
Energy: 0.8974904345584938
Energy: 1.7670996494966666
Energy: 0.8982561406926666
Energy: 1.0454226946029608
Energy: 0.8982561406865681
Energy: 1.7665212843902067
Energy: 0.8973262202079405
Energy: 0.9890444592800891
Energy: 0.8973262202115719

minimum gb energy = 0.8965672723897645 eV
minimum distance =  2.30988258554225 Angstroms
sigma value = 1


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

Energy: 2.214411547566777
Energy: 0.932037250438402
Energy: 0.9314949574632657
Energy: 0.9320372504634019
Energy: 1.7283509954329985
Energy: 1.008856690174329
Energy: 1.008344274144044
Energy: 1.0088566901757194
Energy: 1.7270163611282514
Energy: 0.9315643760927779
Energy: 0.9311963302238256
Energy: 0.9315643760927779
Energy: 1.7156530555618577
Energy: 1.0086782777894854
Energy: 1.0124511750727396
Energy: 1.0086782777908758
Energy: 1.8673351516123613
Energy: 0.9319106062031827
Energy: 1.090929286771942
Energy: 0.9319106062045733
Energy: 1.7196060045945862
Energy: 1.0087656268479916
Energy: 1.2310388832458905
Energy: 1.0087656268479916
Energy: 1.7268765956247796
Energy: 0.9339978469091875
Energy: 1.1560863878376968
Energy: 0.9339978469119689
Energy: 1.5438875481093501
Energy: 1.0864874892446363
Energy: 1.1617505985700585
Energy: 1.0864874892446363
Energy: 1.527528740649949
Energy: 0.9313590495889704
Energy: 1.1621668852398976
Energy: 0.9313590495889704
Energy: 1.5423815636803546
Energy: 1.0114652920955407
Energy: 1.5360364169347966
Energy: 1.0114652920955407
Energy: 1.5440861408107267
Energy: 0.9315982653207163
Energy: 1.3443613545986568
Energy: 0.9315982653193258
Energy: 1.1527664834647795
Energy: 1.0863166127357828
Energy: 1.3471842162655934
Energy: 1.0863166127343922
Energy: 1.224880591625633
Energy: 0.9316461763485263
Energy: 1.535902769423224
Energy: 0.9316461763513075
Energy: 1.2266681679310991
Energy: 0.931723436763189
Energy: 1.7287847760689612
Energy: 0.931723436763189
Energy: 1.0431968585327343
Energy: 0.9325899054247169
Energy: 1.7078748128559584
Energy: 0.9325899054247169
Energy: 1.0081553681406799
Energy: 1.0088555462720459
Energy: 1.7144877587246523
Energy: 1.008855546270655
Energy: 0.9310578531585363
Energy: 0.931688083590039
Energy: 1.7271813095681443
Energy: 0.9316880835914295
Energy: 1.0116709635890277
Energy: 1.0128160170219649
Energy: 1.7154643139008339
Energy: 1.0128160170219649
Energy: 1.0119467032695006
Energy: 0.9323734354710543
Energy: 1.5225915290375254
Energy: 0.9323734354696639
Energy: 1.2304663837279826
Energy: 1.0089137591161457
Energy: 1.7207850590466285
Energy: 1.0089137591161457
Energy: 1.1561146919124052
Energy: 0.9340995980735555
Energy: 1.7265414086198934
Energy: 0.9340995980721648
Energy: 1.1603482868571495
Energy: 1.086467105794402
Energy: 1.5472165950865935
Energy: 1.0864671057930115
Energy: 1.162131871513021
Energy: 1.0873372748151813
Energy: 1.5412851826294298
Energy: 1.0873372748137906
Energy: 1.5356542350394484
Energy: 1.0118024089339115
Energy: 1.545945365714224
Energy: 1.011802408935302
Energy: 1.3482130540260557
Energy: 0.9324901069555418
Energy: 1.5435902297678497
Energy: 0.9324901069555418
Energy: 1.345653884747131
Energy: 1.086478924105718
Energy: 1.2265928360155074
Energy: 1.0864789241043273
Energy: 1.5365319401294217
Energy: 0.931608408253275
Energy: 1.2261369865924028
Energy: 0.9316084082671497
Energy: 1.7303063041222286
Energy: 0.9317834055990042
Energy: 1.2280230550865094
Energy: 0.9317834055976135
Energy: 1.714977348634912
Energy: 0.9315835870646603
Energy: 1.1537604849180298
Energy: 0.9315835870660509

minimum gb energy = 0.9310578531585363 eV
minimum distance =  2.31568299719656 Angstroms
sigma value = 25


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

Energy: 2.103250728003284
Energy: 0.9956156043876621
Energy: 0.997738424544942
Energy: 0.9956156045346978
Energy: 1.6382666518262794
Energy: 1.0808462444245777
Energy: 1.1163502304089208
Energy: 1.0808462444261941
Energy: 1.6410580577501928
Energy: 0.9965501239255881
Energy: 0.9998704848138114
Energy: 0.9965501239272045
Energy: 1.6412497367856886
Energy: 1.0272075105088412
Energy: 1.0277942015173624
Energy: 1.0272075105104577
Energy: 1.5520217517687387
Energy: 0.9971499661255744
Energy: 1.4107380005524073
Energy: 0.9971499661255744
Energy: 1.6610002121325844
Energy: 1.0272948337779306
Energy: 1.3726375123047956
Energy: 1.0272948337779306
Energy: 1.6413070190326846
Energy: 1.152534709279733
Energy: 1.3570229524831994
Energy: 1.1525347092765
Energy: 1.3464470186876523
Energy: 1.245523873013956
Energy: 1.3567869262664933
Energy: 1.2455238730107228
Energy: 1.357177077226311
Energy: 1.1527797176168872
Energy: 1.3575665752945187
Energy: 1.1527797176168872
Energy: 1.3777397124763093
Energy: 0.9983222000714688
Energy: 1.6420047836361098
Energy: 0.998322200074702
Energy: 1.3101595832420478
Energy: 0.9973807581717217
Energy: 1.6514557462627888
Energy: 0.9973807581701051
Energy: 1.0282166700604884
Energy: 1.0276107034015065
Energy: 1.6521959327161497
Energy: 1.0276107034015065
Energy: 0.9926579497302433
Energy: 0.9942548803513468
Energy: 1.6402228940023387
Energy: 0.9942548803513468
Energy: 1.0768394340278225
Energy: 0.9975267150400866
Energy: 1.6385545705436333
Energy: 0.9975267150417032
Energy: 1.0283909847268282
Energy: 0.9986861650781851
Energy: 1.5509352952050977
Energy: 0.9986861650781851
Energy: 1.2466097740192699
Energy: 1.1161695331308232
Energy: 1.6383517193964163
Energy: 1.1161695331340562
Energy: 1.1373156694682904
Energy: 0.9973950222503697
Energy: 1.6411489235115284
Energy: 0.9973950222487898
Energy: 1.1370998632106128
Energy: 0.9937423878900246
Energy: 1.5460447267751427
Energy: 0.993742387888408
Energy: 1.2090275287283898
Energy: 0.9944338741536551
Energy: 1.5158862313372674
Energy: 0.9944338741520387
Energy: 1.56409112079955
Energy: 1.086570687358018
Energy: 1.5470488065395316
Energy: 1.086570687358018
Energy: 1.4512533784176254
Energy: 0.9931590952204628
Energy: 1.5468723038954877
Energy: 0.9931590952188462
Energy: 1.4508022637926936
Energy: 0.9976360444005125
Energy: 1.179525023126705
Energy: 0.9976360444005125
Energy: 1.5464114948447005
Energy: 0.9989126789757936
Energy: 1.1676747315740188
Energy: 0.9989126789741768
Energy: 1.642754761711419
Energy: 0.9975080224110671
Energy: 1.2420667634910936
Energy: 0.9975080224094506
Energy: 1.649130731306199
Energy: 0.9983470903680862
Energy: 1.1581747224680647
Energy: 0.9983470903697027

minimum gb energy = 0.9926579497302433 eV
minimum distance =  2.29699517059026 Angstroms
sigma value = 9


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

Energy: 1.876897549264865
Energy: 1.1341758718628423
Energy: 1.1352171856877742
Energy: 1.1341758719881267
Energy: 1.5318048565795566
Energy: 1.0392192744383983
Energy: 1.1380043965050115
Energy: 1.0392192744378288
Energy: 1.573305608980646
Energy: 1.0383794097841503
Energy: 1.0393650097199263
Energy: 1.0383794097857064
Energy: 1.5742256003168946
Energy: 1.1371557651926067
Energy: 1.1368778267533046
Energy: 1.1371557651928037
Energy: 1.44453801271905
Energy: 1.0437291129741277
Energy: 1.1778472139833924
Energy: 1.043729112975289
Energy: 1.573261073808499
Energy: 1.1903324041586019
Energy: 1.4245062645789006
Energy: 1.190332404164957
Energy: 1.5698385361774543
Energy: 1.198229077962087
Energy: 1.0168321181156852
Energy: 1.1982290779618898
Energy: 1.3860956378529574
Energy: 1.1939363442107749
Energy: 1.3471100254815664
Energy: 1.1939363442111472
Energy: 1.3160564462404216
Energy: 1.1970495305662427
Energy: 1.3383723094972775
Energy: 1.197049530565651
Energy: 1.3814142706750943
Energy: 1.1908880428141668
Energy: 1.5318375450779989
Energy: 1.1908880428149338
Energy: 1.3167383123170122
Energy: 1.137780209702507
Energy: 1.5056950450928712
Energy: 1.137780209703471
Energy: 1.1376397694671654
Energy: 1.1378789331665866
Energy: 1.506073394172655
Energy: 1.1378789331657977
Energy: 1.0416568097098908
Energy: 1.039285683871652
Energy: 1.5705308473923851
Energy: 1.0392856838714548
Energy: 1.136856426037462
Energy: 1.0441944592980212
Energy: 1.569198589224189
Energy: 1.0441944592914687
Energy: 1.1382981772665763
Energy: 1.0439454469339238
Energy: 1.4444706117769182
Energy: 1.0439454469337484
Energy: 1.3843692365925873
Energy: 1.2790933707642247
Energy: 1.5709240433913803
Energy: 1.279093370763655
Energy: 1.0164333142751545
Energy: 1.0405188401230123
Energy: 1.570442874886104
Energy: 1.0405188401226177
Energy: 1.0164980260367213
Energy: 1.1972926398893249
Energy: 1.3850237182902438
Energy: 1.1972926398893249
Energy: 1.3462661170818955
Energy: 1.1982223427117664
Energy: 1.4572178676759457
Energy: 1.1982223427109997
Energy: 1.5310552472360002
Energy: 1.1891041813956729
Energy: 1.384084359451761
Energy: 1.1891041813974041
Energy: 1.5056289549662278
Energy: 1.1387324391599207
Energy: 1.3855726126806118
Energy: 1.1387324391585838

minimum gb energy = 1.0164333142751545 eV
minimum distance =  2.3102656815262 Angstroms
sigma value = 25


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

Energy: 1.6441470771683468
Energy: 1.1324827040083014
Energy: 1.2203209135422344
Energy: 1.1324827080940074
Energy: 1.4598957318809747
Energy: 1.1444472460526771
Energy: 1.2210358044076266
Energy: 1.1444472460522164
Energy: 1.4655604704267287
Energy: 1.1312076707994916
Energy: 1.129391311731472
Energy: 1.1312076708006837
Energy: 1.450308217666559
Energy: 1.1324059150476415
Energy: 1.132333772413452
Energy: 1.1324059150497825
Energy: 1.3762278946517663
Energy: 1.1306713408873086
Energy: 1.570288480424064
Energy: 1.1306713409337874
Energy: 1.4708103474878262
Energy: 1.2523725967319388
Energy: 1.4429506084699162
Energy: 1.252372596732399
Energy: 1.4655591615034944
Energy: 1.131757965488115
Energy: 1.5193173848691677
Energy: 1.131757965483589
Energy: 1.1318853677446294
Energy: 1.132223842856394
Energy: 1.5106455361417468
Energy: 1.1322238428547138
Energy: 1.1321014662072488
Energy: 1.1311763804290487
Energy: 1.4586302323490374
Energy: 1.1311763804273685
Energy: 1.2009167250752837
Energy: 1.130643260292026
Energy: 1.457322736881323
Energy: 1.1306432602917822
Energy: 1.1305084844596542
Energy: 1.1342578916099262
Energy: 1.4539579972742094
Energy: 1.1342578910444816
Energy: 1.458738922192513
Energy: 1.2227405527220767
Energy: 1.45181111162913
Energy: 1.222740552721345
Energy: 1.3190134317438977
Energy: 1.1307097338690228
Energy: 1.4573557840973153
Energy: 1.1307097338692669
Energy: 1.3299649157868634
Energy: 1.258602800972497
Energy: 1.3820197923232895
Energy: 1.2586028009734456
Energy: 1.4059919214744325
Energy: 1.2582773931579996
Energy: 1.380338784728308
Energy: 1.2582773931577558
Energy: 1.4589369818464277
Energy: 1.2584523913587333
Energy: 1.38452359605494
Energy: 1.2584523913603867
Energy: 1.3731435548847866
Energy: 1.2584737386400382
Energy: 1.393295284322422
Energy: 1.2584737386407427

minimum gb energy = 1.129391311731472 eV
minimum distance =  2.28580678917024 Angstroms
sigma value = 17


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

Energy: 1.6375465859101925
Energy: 1.2012128842738152
Energy: 1.3038803635289107
Energy: 1.201212840427658
Energy: 1.4087375752394782
Energy: 1.1491548711461619
Energy: 1.3071869832185385
Energy: 1.1491548711461619
Energy: 1.4001928706857105
Energy: 1.1500850715732045
Energy: 1.1886801465678547
Energy: 1.150085071571854
Energy: 1.4322739007246235
Energy: 1.1393311820780863
Energy: 1.13882519843135
Energy: 1.1393311820807877
Energy: 1.4268169506345039
Energy: 1.2928301577623376
Energy: 1.452495807990028
Energy: 1.2928301577623376
Energy: 1.402866708358394
Energy: 1.1542743176713364
Energy: 1.3683244794435283
Energy: 1.154274317672687
Energy: 1.3840885143163646
Energy: 1.2310140735251296
Energy: 1.4651929355361566
Energy: 1.2310140735291817
Energy: 1.2387863927314222
Energy: 1.239253990381578
Energy: 1.403791502809971
Energy: 1.239253990377526
Energy: 1.1717934012673443
Energy: 1.1543938407286929
Energy: 1.3835685393765609
Energy: 1.154393840731394
Energy: 1.1618052431499744
Energy: 1.1543770630560661
Energy: 1.3843455709490895
Energy: 1.1543770630587675
Energy: 1.157995259636927
Energy: 1.2590330255864575
Energy: 1.4329262636159417
Energy: 1.2590330255905096
Energy: 1.3764885610948479
Energy: 1.241449473398751
Energy: 1.3842567972403461
Energy: 1.241449473398751
Energy: 1.466338951994868
Energy: 1.1640461663071582
Energy: 1.3859321296361147
Energy: 1.164046166323336
Energy: 1.467820232389841
Energy: 1.1515521842387706
Energy: 1.1633781298123578
Energy: 1.1515521842374201
Energy: 1.3618814743415086
Energy: 1.1475074495890245
Energy: 1.1642056420952238
Energy: 1.1475074495863233
Energy: 1.3618393620085738
Energy: 1.1543268082851168
Energy: 1.1949373671852483
Energy: 1.1543268082851168
Energy: 1.3933504409883013
Energy: 1.23813156244394
Energy: 1.2393180912237982
Energy: 1.2381315624425893
Energy: 1.392719731480706
Energy: 1.2380783291486244
Energy: 1.4391468341019142
Energy: 1.238078329147274
Energy: 1.3616165282015553
Energy: 1.1539193722421952
Energy: 1.3938472331704597
Energy: 1.1539193722408445
Energy: 1.2363733449282206
Energy: 1.292889755935232
Energy: 1.4480762672014258
Energy: 1.2928897559311796
Energy: 1.1375514708261947
Energy: 1.1502942985914713
Energy: 1.393121996171042
Energy: 1.1502942985941724
Energy: 1.2088787243739627
Energy: 1.1494427760554093
Energy: 1.393407998690107
Energy: 1.1494427760513573
Energy: 1.295140152500422
Energy: 1.2013764298903034
Energy: 1.393590519846045
Energy: 1.2013764298916538
Energy: 1.2065250553751892
Energy: 1.1517795328013192
Energy: 1.4412028656080749
Energy: 1.1517795328026699
Energy: 1.4184998501244552
Energy: 1.1492040643573216
Energy: 1.3934361249224672
Energy: 1.1492040643573216
Energy: 1.2644924828035957
Energy: 1.2540927635103856
Energy: 1.3943605128461452
Energy: 1.2540927635130872
Energy: 1.3121640511558816
Energy: 1.2577154789254568
Energy: 1.2767099127253838
Energy: 1.2577154789227551
Energy: 1.4010898209637193
Energy: 1.2541461362854813
Energy: 1.2682738989253148
Energy: 1.2541461362841304
Energy: 1.4093731895153547
Energy: 1.1496094856445631
Energy: 1.382313199080572
Energy: 1.1496094856432124
Energy: 1.4022541141836316
Energy: 1.15135196495559
Energy: 1.3302670144197724
Energy: 1.1513519649569408

minimum gb energy = 1.1375514708261947 eV
minimum distance =  2.27979174268584 Angstroms
sigma value = 53


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

Energy: 1.0209143287291675
Energy: 1.568296291186273
Energy: 1.0542868205684164
Energy: 1.568296291185955
Energy: 1.056795278608148
Energy: 1.0566606947642556
Energy: 1.0607700234298747
Energy: 1.0566606947654924
Energy: 1.3643544316709746
Energy: 1.0738506462835504
Energy: 1.0520467086359802
Energy: 1.0738506462844692
Energy: 1.2271135595029903
Energy: 1.0773611267488807
Energy: 1.0568771402680066
Energy: 1.0773611267497996
Energy: 1.2802755008864568
Energy: 1.057891863487675
Energy: 1.0602528501151758
Energy: 1.057891863488276
Energy: 1.2231625544057327
Energy: 1.0762845908803629
Energy: 1.2820812679459026
Energy: 1.076284590880999
Energy: 1.2810134442795267
Energy: 1.076248611079637
Energy: 1.023003356679429
Energy: 1.076248611079036
Energy: 1.058489851758019
Energy: 1.0592180551658728
Energy: 1.023178453219432
Energy: 1.0592180551658728
Energy: 1.0559101618560525
Energy: 1.0752553784184187
Energy: 1.2826737754162645
Energy: 1.0752553784174999
Energy: 1.0621871008549062
Energy: 1.0770737799488654
Energy: 1.2222747867562795
Energy: 1.0770737799681238
Energy: 1.0577412531763482
Energy: 1.057918414738899
Energy: 1.2282458774378298
Energy: 1.057918414738899
Energy: 1.3651818213257145
Energy: 1.1620899764674892
Energy: 1.2270027005528488
Energy: 1.1620899764668884
Energy: 1.0231641135635334
Energy: 1.0742685539633499
Energy: 1.3642222248221678
Energy: 1.074268553951866

minimum gb energy = 1.0209143287291675 eV
minimum distance =  2.29286100678823 Angstroms
sigma value = 9


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

Energy: 1.7359721999108768
Energy: 1.3293527146725115
Energy: 1.3289683598463415
Energy: 1.3293527112351866
Energy: 1.4411453235526837
Energy: 1.28411187959431
Energy: 1.4036567595738503
Energy: 1.2841118795954611
Energy: 1.2607767519122364
Energy: 1.2428947166134607
Energy: 1.283567337213486
Energy: 1.2428947166169135
Energy: 1.2597067818914134
Energy: 1.2436898979856614
Energy: 1.258660745034695
Energy: 1.2436898979856614
Energy: 1.2340730285148882
Energy: 1.242889551643157
Energy: 1.2607360330906312
Energy: 1.242889551643157
Energy: 1.3163029376254856
Energy: 1.2908652792918616
Energy: 1.4622929319887779
Energy: 1.2908652792895596
Energy: 1.4085569067576686
Energy: 1.373707671342658
Energy: 1.6082823741447148
Energy: 1.373707671366827
Energy: 1.5013914732642937
Energy: 1.297406293597826
Energy: 1.609341105749721
Energy: 1.297406293597826
Energy: 1.411566658652204
Energy: 1.256509812475703
Energy: 1.3317087653332502
Energy: 1.256509812479156
Energy: 1.2814345652134602
Energy: 1.2898703561369331
Energy: 1.1846299424336655
Energy: 1.2898703561334801
Energy: 1.439661377145782
Energy: 1.2527088052349247
Energy: 1.1830482573006684
Energy: 1.252708805236076
Energy: 1.3694608111702886
Energy: 1.3003866669800879
Energy: 1.2381303562244108
Energy: 1.3003866669823898
Energy: 1.611475823375216
Energy: 1.3263327896838777
Energy: 1.3107398604994696
Energy: 1.3263327896827266
Energy: 1.6097819408989924
Energy: 1.3701695549525883
Energy: 1.489214613658191
Energy: 1.370169554945683
Energy: 1.4604745711797316
Energy: 1.2969310299741217
Energy: 1.5271588194758676
Energy: 1.2969310299752728
Energy: 1.4360659118187773
Energy: 1.32822587891106
Energy: 1.4962223885291166
Energy: 1.3282258789122108
Energy: 1.1975186347109885
Energy: 1.2008764839773032
Energy: 1.5782031743440577
Energy: 1.2008764839773032
Energy: 1.215651409938622
Energy: 1.2629925212371913
Energy: 1.6029364302411242
Energy: 1.2629925212394932
Energy: 1.2499769627793589
Energy: 1.3069596318384693
Energy: 1.5639530501387864
Energy: 1.3069596318396202
Energy: 1.25217989114024
Energy: 1.3235169097493213
Energy: 1.5687376102711654
Energy: 1.3235169097562267
Energy: 1.480285807732243
Energy: 1.2580683208460335
Energy: 1.5283838504074287
Energy: 1.2580683208483354
Energy: 1.6386219729805362
Energy: 1.2491591276812495
Energy: 1.5217107099260312
Energy: 1.2491591276824003
Energy: 1.6419133675563742
Energy: 1.3219625952227616
Energy: 1.2493092763222455
Energy: 1.3219625952285161
Energy: 1.5751454580137418
Energy: 1.263009343313774
Energy: 1.2364367687578326
Energy: 1.2630093433091703
Energy: 1.5556700665699208
Energy: 1.284938225022089
Energy: 1.1961139744910059
Energy: 1.2849382250197874
Energy: 1.3903161114923828
Energy: 1.3269061662523547
Energy: 1.197885423938879
Energy: 1.3269061662523547
Energy: 1.5704495441235518
Energy: 1.2897833221994566
Energy: 1.4599182999485538
Energy: 1.2897833222029091
Energy: 1.5346614869470825
Energy: 1.3250710778242119
Energy: 1.6243942891083527
Energy: 1.3250710778265138
Energy: 1.2799290559220964
Energy: 1.3046281988542372
Energy: 1.6380973446331006
Energy: 1.3046281988530863
Energy: 1.3238338719944307
Energy: 1.3201187502456906
Energy: 1.6284544202068947
Energy: 1.3201187502433887
Energy: 1.230983191047595
Energy: 1.2486561638998679
Energy: 1.4148286853361849
Energy: 1.2486561639010187
Energy: 1.1851606181791972
Energy: 1.2120655066238784
Energy: 1.4095428350210761
Energy: 1.2120655066204256
Energy: 1.2862508788382994
Energy: 1.2905095448520052
Energy: 1.4117246160950132
Energy: 1.2905095448508543
Energy: 1.4411013707399736
Energy: 1.2847523739523024
Energy: 1.521294459170287
Energy: 1.284752373953453
Energy: 1.634417499728317
Energy: 1.4089671076521255
Energy: 1.4560535596773343
Energy: 1.4089671076417674

minimum gb energy = 1.1830482573006684 eV
minimum distance =  2.23173201290377 Angstroms
sigma value = 73


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

Energy: 1.723823441949404
Energy: 1.3744563221912425
Energy: 1.375418420638566
Energy: 1.3744563231007356
Energy: 1.4963344941231103
Energy: 1.347015862840909
Energy: 1.404212706387182
Energy: 1.3470158628410749
Energy: 1.3118029212996105
Energy: 1.271979479464421
Energy: 1.3432884994134398
Energy: 1.2719794794669734
Energy: 1.3132654177870133
Energy: 1.2738350215772547
Energy: 1.30993271215423
Energy: 1.273835021576881
Energy: 1.3150553472240065
Energy: 1.2728497041413016
Energy: 1.34669001254964
Energy: 1.2728497041396623
Energy: 1.4030224363010184
Energy: 1.3506304987921856
Energy: 1.4967100813869094
Energy: 1.3506304987929119
Energy: 1.4060213962529002
Energy: 1.404810054540409
Energy: 1.596344035385111
Energy: 1.404810054538936
Energy: 1.5785192442521205
Energy: 1.3259247475832607
Energy: 1.6607598918897335
Energy: 1.3259247475845266
Energy: 1.5267547085421416
Energy: 1.2850738935519734
Energy: 1.4132458115501974
Energy: 1.2850738935534465
Energy: 1.3436934968037015
Energy: 1.3429919764499696
Energy: 1.247481360696928
Energy: 1.3429919764499696
Energy: 1.5269614313494146
Energy: 1.2939733706901613
Energy: 1.1996166213134094
Energy: 1.293973370691074
Energy: 1.5499422986511182
Energy: 1.362609019052664
Energy: 1.2701265907934893
Energy: 1.3626090190530171
Energy: 1.493426022534941
Energy: 1.2544912015989198
Energy: 1.2548855885786543
Energy: 1.2544912015985672
Energy: 1.493064207739381
Energy: 1.3500286101428844
Energy: 1.5550228439584692
Energy: 1.3500286101425107
Energy: 1.5884965313700259
Energy: 1.331410811972708
Energy: 1.5873293503818178
Energy: 1.3314108119716082
Energy: 1.549797040551809
Energy: 1.3516844037334879
Energy: 1.652452238147763
Energy: 1.3516844037327618
Energy: 1.2546325628935227
Energy: 1.3055007603216768
Energy: 1.648192377195351
Energy: 1.3055007603202242
Energy: 1.2712239715582365
Energy: 1.3242320032449972
Energy: 1.6157370599548857
Energy: 1.3242320032438974
Energy: 1.2000201591263324
Energy: 1.2029584464595044
Energy: 1.5275877170096812
Energy: 1.2029584464633432
Energy: 1.2457128741253176
Energy: 1.3435420612339373
Energy: 1.509803631802393
Energy: 1.3435420612335638
Energy: 1.3856826167282899
Energy: 1.3058111404184491
Energy: 1.5240630735164888
Energy: 1.3058111404058539
Energy: 1.6373772122521593
Energy: 1.3343167455820537
Energy: 1.5700976377750882
Energy: 1.3343167455818667

minimum gb energy = 1.1996166213134094 eV
minimum distance =  2.25712797141583 Angstroms
sigma value = 7


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

Energy: 2.3460976742016952
Energy: 1.394632273752921
Energy: 1.3987349353704022
Energy: 1.3946323001096228
Energy: 1.5905474664627588
Energy: 1.2905206644750697
Energy: 1.3949096256486289
Energy: 1.2905206650610292
Energy: 1.4431102887024054
Energy: 1.2751592776500447
Energy: 1.4040787253611742
Energy: 1.2751592776552094
Energy: 1.3541877271104301
Energy: 1.277863598461015
Energy: 1.3078949906041044
Energy: 1.2778635984726354
Energy: 1.3579521650632047
Energy: 1.2777681779815577
Energy: 1.357738997946493
Energy: 1.2777681779815577
Energy: 1.3625189318935444
Energy: 1.3207038226106949
Energy: 1.5799054349260107
Energy: 1.3207038226106949
Energy: 1.366218300823313
Energy: 1.3936247240801298
Energy: 1.6055900190808867
Energy: 1.393624724076256
Energy: 1.5991615083223196
Energy: 1.297327624195362
Energy: 1.6024649913280986
Energy: 1.2973276241940708
Energy: 1.5630214305703607
Energy: 1.3033844238938925
Energy: 1.4550516115493732
Energy: 1.3033844238938925
Energy: 1.3989093713580032
Energy: 1.3021924393994302
Energy: 1.2276500332223286
Energy: 1.302192439398139
Energy: 1.6186140054524285
Energy: 1.3192058779730826
Energy: 1.2194146902095255
Energy: 1.3192058779743738
Energy: 1.4945118222274065
Energy: 1.3075980792481618
Energy: 1.319823943645696
Energy: 1.3075980792481618
Energy: 1.6175443429676484
Energy: 1.224325769408904
Energy: 1.2819890589327008
Energy: 1.224325769401157
Energy: 1.6193339683171377
Energy: 1.3006939536608353
Energy: 1.4478242690365526
Energy: 1.3006939536608353
Energy: 1.6290370041805213
Energy: 1.3219727870156297
Energy: 1.455152217709576
Energy: 1.3219727870143385
Energy: 1.6250759420322523
Energy: 1.2964645352853796
Energy: 1.8045250869347071
Energy: 1.2964645352698856
Energy: 1.444596978729575
Energy: 1.2917545673482667
Energy: 1.8112875303664244
Energy: 1.2917545673456845
Energy: 1.4025674005009194
Energy: 1.2910198501954153
Energy: 1.4449692325699752
Energy: 1.2910198502005799
Energy: 1.3078276508688984
Energy: 1.276112483436336
Energy: 1.3564918900913534
Energy: 1.2761124834350446
Energy: 1.3574426185824284
Energy: 1.2759451902416856
Energy: 1.3062735039829474
Energy: 1.2759451902429768
Energy: 1.4559644713623685
Energy: 1.3200483377191028
Energy: 1.3201196427997792
Energy: 1.320048337720394
Energy: 1.602400528173728
Energy: 1.366853438204468
Energy: 1.3677747480808196
Energy: 1.3668534382251267
Energy: 1.6035127332401464
Energy: 1.4451755161552353
Energy: 1.5489029936620937
Energy: 1.4451755161578175
Energy: 1.4566358360115157
Energy: 1.3191613981608652
Energy: 1.6019228699176609
Energy: 1.3191613981608652
Energy: 1.401194501278542
Energy: 1.30197784280646
Energy: 1.3852533404902219
Energy: 1.30197784280646
Energy: 1.2220780658251897
Energy: 1.22466094336221
Energy: 1.3838358640163628
Energy: 1.2246609433635012
Energy: 1.3224018363121657
Energy: 1.3789616460050123
Energy: 1.5556227496483992
Energy: 1.3789616460050123
Energy: 1.2209667957828814
Energy: 1.2235274591968306
Energy: 1.652510597035201
Energy: 1.2235274591981218
Energy: 1.2840420462858066
Energy: 1.3016840532989022
Energy: 1.6289297915142869
Energy: 1.3016840533001934
Energy: 1.5150042930152223
Energy: 1.3205489669806707
Energy: 1.5911920352021058
Energy: 1.3205489669793795
Energy: 1.808116293208278
Energy: 1.2921150681484888
Energy: 1.624638214403327
Energy: 1.2921150681484888

minimum gb energy = 1.2194146902095255 eV
minimum distance =  2.25769451550603 Angstroms
sigma value = 29


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

Energy: 1.6318327071160519
Energy: 1.4895376735730548
Energy: 1.5758777540537785
Energy: 1.4895376730970156
Energy: 1.2990911367081535
Energy: 1.2369038077813055
Energy: 1.4083495525372804
Energy: 1.2369038077813055
Energy: 1.397645901105991
Energy: 1.2375419801841072
Energy: 1.2987734237142954
Energy: 1.2375419801841072
Energy: 1.3046075447030727
Energy: 1.239008835141101
Energy: 1.126469537751802
Energy: 1.2390088351406512
Energy: 1.305745807995442
Energy: 1.2461220533804365
Energy: 1.2971194828936221
Energy: 1.246122053380886
Energy: 1.3014102364678524
Energy: 1.2431918887295934
Energy: 1.360922267797477
Energy: 1.2431918887313425
Energy: 1.409881157672341
Energy: 1.4062054461835223
Energy: 1.281616758379828
Energy: 1.4062054461852715
Energy: 1.4668688816358293
Energy: 1.2362867126420445
Energy: 1.3657857487649123
Energy: 1.2362867126486408
Energy: 1.431800133350767
Energy: 1.2728954563165176
Energy: 1.4528657045247673
Energy: 1.2728954563151933

minimum gb energy = 1.126469537751802 eV
minimum distance =  2.25489058068044 Angstroms
sigma value = 5


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

Energy: 1.712501747645443
Energy: 1.750870305452357
Energy: 1.7488995264480873
Energy: 1.7508703054608672
Energy: 1.2322313778747698
Energy: 1.2658656573204932
Energy: 1.5247828672716095
Energy: 1.2658656572973472
Energy: 1.202792707695827
Energy: 1.2127858158866398
Energy: 1.5109033168204524
Energy: 1.2127858158878593
Energy: 1.2034135131846377
Energy: 1.2661908228145173
Energy: 1.454419261946675
Energy: 1.2661908228206156
Energy: 1.2161540261885866
Energy: 1.2208284126649716
Energy: 1.4659043872402264
Energy: 1.2208284127222684
Energy: 1.2255367224862015
Energy: 1.2504888393118934
Energy: 1.4223890513859403
Energy: 1.2504888393106735
Energy: 1.2187180745800004
Energy: 1.2984527486574093
Energy: 1.3795744786812052
Energy: 1.2984527486598487
Energy: 1.2204171222748976
Energy: 1.2461989856630071
Energy: 1.373554285582957
Energy: 1.246198985664227
Energy: 1.5486333417452802
Energy: 1.24532502670907
Energy: 1.4152226201569449
Energy: 1.2453250267444407
Energy: 1.5054110873284072
Energy: 1.444951354087072
Energy: 1.5056578525472304
Energy: 1.4449513540882915
Energy: 1.5075419980452296
Energy: 1.2733055756332832
Energy: 1.5758226914778797
Energy: 1.2733055755759861
Energy: 1.4380008369463455
Energy: 1.246447871151602
Energy: 1.5749836344992563
Energy: 1.2464478711540414
Energy: 1.3835829505350044
Energy: 1.3507225634299933
Energy: 1.5781241834535664
Energy: 1.350722563431213
Energy: 1.412913925567061
Energy: 1.3388899645355863
Energy: 1.220289830758885
Energy: 1.3388899645343668
Energy: 1.3816110135069144
Energy: 1.3020948582335732
Energy: 1.219436714462939
Energy: 1.3020948582335732
Energy: 1.3850293353171999
Energy: 1.2465459611083916
Energy: 1.220965972877905
Energy: 1.2465459611071719
Energy: 1.4250119590639023
Energy: 1.2505254415042182
Energy: 1.267928049316404
Energy: 1.2505254414773854
Energy: 1.5117545236291483
Energy: 1.213413573635567
Energy: 1.2147669419742262
Energy: 1.2134135736294687
Energy: 1.5267093227179533
Energy: 1.3475768671636081
Energy: 1.2018519441660043
Energy: 1.3475768671599493
Energy: 1.5307689024789601
Energy: 1.2229912749391343
Energy: 1.2033202787020874
Energy: 1.2229912749379146
Energy: 1.5382746799357196
Energy: 1.273571587941345
Energy: 1.6373049074104764
Energy: 1.2735715879486629
Energy: 1.683741389125182
Energy: 1.4381054571893146
Energy: 1.6372627835501508
Energy: 1.438105457191754
Energy: 1.6065580672501896
Energy: 1.2333846527964587
Energy: 1.2035896604279175
Energy: 1.2333846527952392
Energy: 1.5771688568501339
Energy: 1.250245086040105
Energy: 1.3047929937733544
Energy: 1.250245086040105
Energy: 1.5760302558028372
Energy: 1.2131926490923806
Energy: 1.2474240492433109
Energy: 1.2131926490936003
Energy: 1.3533673188584148
Energy: 1.2761519362088496
Energy: 1.3237308059477897
Energy: 1.276151936210069
Energy: 1.2687824444215463
Energy: 1.270084159300719
Energy: 1.2741041045302008
Energy: 1.2700841593019387
Energy: 1.2739197603313028
Energy: 1.2675272949529457
Energy: 1.2703732128390866
Energy: 1.2675272949517258
Energy: 1.3043149224841357
Energy: 1.2965399816295111
Energy: 1.3069201355936275
Energy: 1.2965399816282916
Energy: 1.2655918272685294
Energy: 1.2483110776766482
Energy: 1.5053640977386755
Energy: 1.248311077677868
Energy: 1.3008027197279481
Energy: 1.2520507461417576
Energy: 1.5079902387867496
Energy: 1.252050746142977
Energy: 1.2108035955978607
Energy: 1.2335237584911294
Energy: 1.600628316161608
Energy: 1.2335237506326175
Energy: 1.7031326012012702
Energy: 1.5377270154160807
Energy: 1.5962250980184738
Energy: 1.53772701541852

minimum gb energy = 1.2018519441660043 eV
minimum distance =  2.2260853619067 Angstroms
sigma value = 1


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

Energy: 1.9383269657738367
Energy: 1.5917064168993817
Energy: 1.4290953328449159
Energy: 1.5917064169162456
Energy: 1.1861226156617526
Energy: 1.1932107483690122
Energy: 1.1901039157715965
Energy: 1.1932107483589323
Energy: 1.1872045057366154
Energy: 1.1922413723100311
Energy: 1.3933017414687376
Energy: 1.1922413723100311
Energy: 1.1895773675513641
Energy: 1.199151025142814
Energy: 1.1951140551940007
Energy: 1.199151025142814
Energy: 1.1916287248687762
Energy: 1.2137233013574618
Energy: 1.3477634619446177
Energy: 1.2137233013574618
Energy: 1.1898311095571186
Energy: 1.2148710022431721
Energy: 1.3498824716992064
Energy: 1.2148710022431721
Energy: 1.1818549763356747
Energy: 1.2753358630363794
Energy: 1.3990199927728177
Energy: 1.2753358630346927
Energy: 1.1876521018488195
Energy: 1.1912205202078243
Energy: 1.3913811430136072
Energy: 1.191220520206138
Energy: 1.1873610944968616
Energy: 1.3167431207141873
Energy: 1.3709666381754404
Energy: 1.3167431207125009
Energy: 1.3812413264506427
Energy: 1.374192983739894
Energy: 1.1860262702099889
Energy: 1.3741929837516988
Energy: 1.1863299487549968
Energy: 1.2546962758396198
Energy: 1.404038440904844
Energy: 1.2546962758800932
Energy: 1.1871406890292757
Energy: 1.1916890837302052
Energy: 1.574733147333391
Energy: 1.1916890837302052
Energy: 1.1755103759039658
Energy: 1.1993116939948019
Energy: 1.5670133030907514
Energy: 1.1993116939931152
Energy: 1.189726707466242
Energy: 1.2642671520937747
Energy: 1.1870586025869383
Energy: 1.2642671520937747
Energy: 1.1950520558042454
Energy: 1.2043931340980205
Energy: 1.1869936523104543
Energy: 1.2043931340980205
Energy: 1.1943776524720493
Energy: 1.1909459737284986
Energy: 1.177712601787985
Energy: 1.1909459737284986
Energy: 1.2474225558217065
Energy: 1.2083408445188184
Energy: 1.1936676347867305
Energy: 1.2083408445188184
Energy: 1.3909550945375333
Energy: 1.1899640649744752
Energy: 1.177660884936173
Energy: 1.1899640649711023
Energy: 1.3991191094244364
Energy: 1.2768323996835362
Energy: 1.1852627454636697
Energy: 1.2768323996835362
Energy: 1.3833812710186661
Energy: 1.1913994756479103
Energy: 1.1879528301139728
Energy: 1.1913994756479103
Energy: 1.3611723257666313
Energy: 1.1924761846050476
Energy: 1.3794241437334724
Energy: 1.1924761846033614
Energy: 1.3978226063983987
Energy: 1.191566658917753
Energy: 1.3803015994967047
Energy: 1.191566658917753
Energy: 1.408053950842525
Energy: 1.2639210425877074
Energy: 1.1870057814541632
Energy: 1.2639210425877074
Energy: 1.5671327331254628
Energy: 1.206556241686989
Energy: 1.1861181529898863
Energy: 1.2065562416853026

minimum gb energy = 1.1755103759039658 eV
minimum distance =  2.25711987826366 Angstroms
sigma value = 17


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

Energy: 1.806639342989337
Energy: 1.690336687188007
Energy: 1.732182578331381
Energy: 1.6903366871900916
Energy: 1.1790507152515668
Energy: 1.2134306143575047
Energy: 1.472177976780863
Energy: 1.2134306143575047
Energy: 1.1773476685965671
Energy: 1.1774121557968649
Energy: 1.4834056489582081
Energy: 1.1774121557906585
Energy: 1.173241048969752
Energy: 1.1793372950862562
Energy: 1.4846253524723412
Energy: 1.1793372950862562
Energy: 1.175936208000083
Energy: 1.246557414598694
Energy: 1.3038190017336295
Energy: 1.2465574145257783
Energy: 1.2342089466296524
Energy: 1.2197645221058966
Energy: 1.26535379686554
Energy: 1.219764522104854
Energy: 1.2458117498236074
Energy: 1.2208249647798812
Energy: 1.2355147761395844
Energy: 1.220824964785093
Energy: 1.2667854134260794
Energy: 1.2228574314634706
Energy: 1.231901678760255
Energy: 1.222857431461386
Energy: 1.472517951410745
Energy: 1.1784577793333837
Energy: 1.178333037470089
Energy: 1.1784577793312991
Energy: 1.4263126461839637
Energy: 1.1798433742220402
Energy: 1.1795684482560866
Energy: 1.1798433742116168
Energy: 1.541085993364326
Energy: 1.1779703751160495
Energy: 1.1777607489307962
Energy: 1.1779703751212611
Energy: 1.4857798531863518
Energy: 1.2145098243383958
Energy: 1.5271542013488455
Energy: 1.2145098243436074
Energy: 1.6780959557819688
Energy: 1.2123103548771967
Energy: 1.5251351945647775
Energy: 1.2123103548740697
Energy: 1.382930763302468
Energy: 1.2983768736568257
Energy: 1.1799509443823941
Energy: 1.2983768736557832
Energy: 1.4788548946940543
Energy: 1.1762494569660034
Energy: 1.30978475085425
Energy: 1.1762494569660034
Energy: 1.623975592348672
Energy: 1.1789925493233748
Energy: 1.2637441144600468
Energy: 1.1789925493223326
Energy: 1.2089333226984649
Energy: 1.2135554897317262
Energy: 1.3524562969026936
Energy: 1.213555489732769
Energy: 1.2124867615694463
Energy: 1.242378172158819
Energy: 1.3214820056129146
Energy: 1.2423781721567344
Energy: 1.2058700185772737
Energy: 1.212132557249173
Energy: 1.3112831428859415
Energy: 1.2121325572429194
Energy: 1.247730877065638
Energy: 1.292583015923505
Energy: 1.44468151872351
Energy: 1.2925830159245473
Energy: 1.1845362211687873
Energy: 1.1954565373959645
Energy: 1.4250893980068398
Energy: 1.1954565373938801
Energy: 1.1909469535138224
Energy: 1.196155513908167
Energy: 1.4286607819629749
Energy: 1.1961555139039974
Energy: 1.191560997105162
Energy: 1.3250525069253067
Energy: 1.3279415128104795
Energy: 1.3250525069242642
Energy: 1.5379712418210962
Energy: 1.3835686466268107
Energy: 1.3985136809707905
Energy: 1.3835686466247263
Energy: 1.5307309280380672
Energy: 1.1966750738505
Energy: 1.4673502841640595
Energy: 1.1966750738515421
Energy: 1.464369823468405
Energy: 1.199988542754529
Energy: 1.1968734264782435
Energy: 1.199988542748275
Energy: 1.497786022918768
Energy: 1.4772235385631116
Energy: 1.6055068402535382
Energy: 1.4772235385037462
Energy: 1.390120759910141
Energy: 1.1961937005966594
Energy: 1.4483974348740303
Energy: 1.1961937005956171
Energy: 1.4232601229220572
Energy: 1.1963538098636024
Energy: 1.1926227192081198
Energy: 1.196353809865687
Energy: 1.377691748379718
Energy: 1.1988149570869466
Energy: 1.1889854503688249
Energy: 1.1988149570869466
Energy: 1.42044410688991
Energy: 1.1978595059626735
Energy: 1.1888834365499437
Energy: 1.1978595059626735
Energy: 1.35596955057079
Energy: 1.217698614967336
Energy: 1.1991161713175809
Energy: 1.2176986149621243
Energy: 1.3114217526788188
Energy: 1.2169222408541496
Energy: 1.20799544610929
Energy: 1.216922240853107
Energy: 1.309586092774328
Energy: 1.2129103080786863
Energy: 1.2018129079693394
Energy: 1.2129103080776442
Energy: 1.2628625151577644
Energy: 1.1771448415320636
Energy: 1.2057803189127523
Energy: 1.1771448415175183
Energy: 1.2812994778957056
Energy: 1.2821478788476253
Energy: 1.5465555201971437
Energy: 1.2821478788497098
Energy: 1.3125594068380038
Energy: 1.1798638841089715
Energy: 1.3889666066079116
Energy: 1.1798638841048494
Energy: 1.450069154307093
Energy: 1.216081901835339
Energy: 1.5270176056183975
Energy: 1.2160819018363815

minimum gb energy = 1.173241048969752 eV
minimum distance =  2.23772189853036 Angstroms
sigma value = 89


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

Energy: 2.0874096551806467
Energy: 1.36913175425941
Energy: 1.3810761452049884
Energy: 1.3691317541858046
Energy: 1.1431846724012398
Energy: 1.147580832349986
Energy: 1.1395207959755902
Energy: 1.147580832350792
Energy: 1.1420585931668858
Energy: 1.14622043966171
Energy: 1.248809369229421
Energy: 1.1462204396603466
Energy: 1.1375012476847333
Energy: 1.1466439682670666
Energy: 1.2493373553764218
Energy: 1.1466439682673455
Energy: 1.1357115947900316
Energy: 1.1703917340179308
Energy: 1.2665763359051359
Energy: 1.1703917340174042
Energy: 1.1973431362374292
Energy: 1.1539630338747833
Energy: 1.2557437102735935
Energy: 1.1539630338745044
Energy: 1.2035203779561705
Energy: 1.1535060368407684
Energy: 1.1984623023057592
Energy: 1.1535060368402104
Energy: 1.2601280630677432
Energy: 1.1616382180399878
Energy: 1.1968975571289497
Energy: 1.1616382180394609
Energy: 1.236642202963871
Energy: 1.1468095387418478
Energy: 1.1331279929191664
Energy: 1.1468095387434594
Energy: 1.424840604664919
Energy: 1.1466836770498505
Energy: 1.134669057043069
Energy: 1.1466836770484867
Energy: 1.2325366876519845
Energy: 1.1479918868921455
Energy: 1.1420939720368377
Energy: 1.1479918868907815
Energy: 1.4029335514786627
Energy: 1.1459968216419865
Energy: 1.4083072757773578
Energy: 1.1459968216419865
Energy: 1.4239030527089123
Energy: 1.1475332990141929
Energy: 1.4080825838474444
Energy: 1.1475332990144407
Energy: 1.1404983529643913
Energy: 1.2385338855293404
Energy: 1.1410355396674046
Energy: 1.2385338855290615
Energy: 1.1432352029853379
Energy: 1.1464268490342666
Energy: 1.1420363960806097
Energy: 1.1464268490353513

minimum gb energy = 1.1331279929191664 eV
minimum distance =  2.25353779532064 Angstroms
sigma value = 13


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

Energy: 1.3183023592741787
Energy: 1.409963937825147
Energy: 1.3721704992083286
Energy: 1.40996393782629
Energy: 1.1096537848122796
Energy: 1.1145424762596556
Energy: 1.1120420791801786
Energy: 1.1145424762539402
Energy: 1.1075561945708063
Energy: 1.1112723221716232
Energy: 1.2886009158586087
Energy: 1.111272322172766
Energy: 1.1044427547730706
Energy: 1.110487018320591
Energy: 1.2842333246890238
Energy: 1.110487018320591
Energy: 1.1105091417752302
Energy: 1.1318250276462436
Energy: 1.1885651883682364
Energy: 1.1318250269892216
Energy: 1.220304771782541
Energy: 1.096036370825087
Energy: 1.1405081580273757
Energy: 1.096036370825087
Energy: 1.2254315906392654
Energy: 1.0947246401876174
Energy: 1.128083752995706
Energy: 1.0947246401876174
Energy: 1.261443832066871
Energy: 1.0976258553654101
Energy: 1.1306886805308227
Energy: 1.0976258553654101
Energy: 1.2165370128219426
Energy: 1.0978062677738323
Energy: 1.1296276066138211
Energy: 1.0978062677749754
Energy: 1.2188142053208533
Energy: 1.0974843136902843
Energy: 1.124304225208781
Energy: 1.0974843136914276
Energy: 1.2026616579421314
Energy: 1.1011031327581347
Energy: 1.1912367096095213
Energy: 1.1011031327581347
Energy: 1.1083112550785525
Energy: 1.1104982741815936
Energy: 1.2145210292784379
Energy: 1.1104982741815936
Energy: 1.1180501295431289
Energy: 1.1103719396085694
Energy: 1.2143106658769776
Energy: 1.1103719396051401
Energy: 1.1140868389213407
Energy: 1.1170915632082108
Energy: 1.2169716373170865
Energy: 1.1170915632093539
Energy: 1.4216949047894676
Energy: 1.1188932755060756
Energy: 1.107092969106963
Energy: 1.1188932755072187
Energy: 1.2123531132395804
Energy: 1.110666280058371
Energy: 1.1076879511913846
Energy: 1.1106662800595142
Energy: 1.1076163488866142
Energy: 1.1163912615591733
Energy: 1.1079060680466912
Energy: 1.116391261427769
Energy: 1.1122175372574246
Energy: 1.1122393583857835
Energy: 1.2821341659137764
Energy: 1.1122393583834973
Energy: 1.1093080995051627
Energy: 1.112198651044196
Energy: 1.101395042016695
Energy: 1.112198651044196
Energy: 1.2136911374957662
Energy: 1.1138705002684657
Energy: 1.111917880014486
Energy: 1.1138705002673226
Energy: 1.2881560056859438
Energy: 1.16031546323549
Energy: 1.1065575858276107
Energy: 1.160315463236633
Energy: 1.1891389605535232
Energy: 1.2090210076447734
Energy: 1.1114815218265328
Energy: 1.209021007649346
Energy: 1.1904761886963422
Energy: 1.0968313041530864
Energy: 1.2165699402872123
Energy: 1.0968313041530864
Energy: 1.1287082243427813
Energy: 1.0960973025315481
Energy: 1.1446966533690237
Energy: 1.0960973025326912
Energy: 1.1282947938361345
Energy: 1.107070417996419
Energy: 1.2101073095915322
Energy: 1.1070704179941329
Energy: 1.1271746585479399
Energy: 1.1019110581970586
Energy: 1.2623295542258928
Energy: 1.101911058200488
Energy: 1.125450147465261
Energy: 1.0986611795557168
Energy: 1.2179627489993126
Energy: 1.0986611795545738
Energy: 1.1905358260238446
Energy: 1.0996285594670896
Energy: 1.2149589167060884
Energy: 1.0996285594670896
Energy: 1.1884553539233629
Energy: 1.1134353387725242
Energy: 1.109067348937946
Energy: 1.1134353387748106
Energy: 1.2148014819876274
Energy: 1.1111453704723873
Energy: 1.1107019722200684
Energy: 1.1111453704643854
Energy: 1.2143125447943208
Energy: 1.1156315314117884
Energy: 1.1115782347802863
Energy: 1.1156315314106453
Energy: 1.110590056073092
Energy: 1.1108567294810203
Energy: 1.2140847492812037
Energy: 1.1108567294810203
Energy: 1.1084170873627786
Energy: 1.119136325425377
Energy: 1.4207565724137639
Energy: 1.119136325425377
Energy: 1.1098986144993823
Energy: 1.1211985840967438
Energy: 1.1089490770348691
Energy: 1.1211985840978869
Energy: 1.1007688595498963
Energy: 1.110409475218082
Energy: 1.1117513126568677
Energy: 1.1104094752203681

minimum gb energy = 1.0947246401876174 eV
minimum distance =  2.25627720741135 Angstroms
sigma value = 37


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

Energy: 1.3384615159124602
Energy: 1.3436576280598624
Energy: 1.3055532887098311
Energy: 1.3436576280598624
Energy: 1.0647116982604217
Energy: 1.0707358276126886
Energy: 1.066272560554981
Energy: 1.0707358276132921
Energy: 1.0655541455791029
Energy: 1.072473209383482
Energy: 1.282962081891721
Energy: 1.0724732093860299
Energy: 1.0627517967151312
Energy: 1.0712515684234296
Energy: 1.283794017082651
Energy: 1.0712515684234296
Energy: 1.184658149812431
Energy: 1.0873987397476237
Energy: 1.1239702141502745
Energy: 1.0873987397678713
Energy: 1.1417853410329792
Energy: 1.0408937736352273
Energy: 1.0717447979431398
Energy: 1.0408937736362103
Energy: 1.143084317663639
Energy: 1.0402201360951937
Energy: 1.0679469450317236
Energy: 1.0402201360961771
Energy: 1.1896445377971365
Energy: 1.0295013700488422
Energy: 1.0757138587067654
Energy: 1.0295013700486637
Energy: 1.115431169708155
Energy: 1.0205186202333347
Energy: 1.1136429391485796
Energy: 1.0205186202323513
Energy: 1.1139934113891705
Energy: 1.019720080016284
Energy: 1.1159743085637712
Energy: 1.0197200800170663
Energy: 1.168555119959024
Energy: 1.1155134853961082
Energy: 1.1892769486169863
Energy: 1.115513485400444
Energy: 1.068263245783483
Energy: 1.0403416970930324
Energy: 1.217862803702591
Energy: 1.0403416970926302
Energy: 1.0710246735265614
Energy: 1.0405722405870679
Energy: 1.2176992090861603
Energy: 1.0405722405868665
Energy: 1.1243112558779436
Energy: 1.059666310650048
Energy: 1.1842700745788362
Energy: 1.0596663106189834
Energy: 1.2106192345257922
Energy: 1.070737919167315
Energy: 1.0638405894094731
Energy: 1.070737919167717
Energy: 1.1992877427551016
Energy: 1.071440837706192
Energy: 1.0652432423245126
Energy: 1.0714408377056108
Energy: 1.1978714125056904
Energy: 1.0866486768795327
Energy: 1.0647048149290408
Energy: 1.0866486768797117
Energy: 1.0650191574648338
Energy: 1.0795633399170734
Energy: 1.1909216157126052
Energy: 1.079563339915889
Energy: 1.0650554072170102
Energy: 1.0724311327862472
Energy: 1.191107817608557
Energy: 1.072431132785644
Energy: 1.0506730492468614
Energy: 1.0716171263017473
Energy: 1.0646621467835582
Energy: 1.0716171262995797

minimum gb energy = 1.019720080016284 eV
minimum distance =  2.25678307736153 Angstroms
sigma value = 25


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

Energy: 1.322154868676349
Energy: 1.209013259732399
Energy: 1.1855201446847492
Energy: 1.2090132597339347
Energy: 0.9928343719234789
Energy: 0.991843874106786
Energy: 1.03036464034469
Energy: 0.9918438741021789
Energy: 0.9926479083937401
Energy: 0.9987475180994151
Energy: 1.1505921800827223
Energy: 0.9987475180994151
Energy: 0.991393752560279
Energy: 0.9981006360429253
Energy: 1.1388780280337458
Energy: 0.9981006360429253
Energy: 1.029467459547292
Energy: 0.9840062827024755
Energy: 1.0308873822553999
Energy: 0.9840062827009398
Energy: 1.1415550593825776
Energy: 0.9632122680105627
Energy: 0.9829666510226543
Energy: 0.9632122680090269
Energy: 1.1410891897067164
Energy: 0.9632712624822284
Energy: 0.9823998117697409
Energy: 0.9632712624806927
Energy: 1.069190991300904
Energy: 1.0724670937809901
Energy: 1.0838763775880664
Energy: 1.0724670889794345
Energy: 1.0011900192906749
Energy: 0.9299182781901948
Energy: 1.1059689971739264
Energy: 0.9299182781901948
Energy: 1.0079510303456591
Energy: 0.9287524127252177
Energy: 1.1061316548072992
Energy: 0.9287524127282892
Energy: 1.0405874773057833
Energy: 1.0741327512413315
Energy: 1.07461927609747
Energy: 1.0741327530419102
Energy: 1.0441655166310246
Energy: 0.918341479852568
Energy: 1.045768536859709
Energy: 0.918341479852568
Energy: 1.056603139329898
Energy: 0.9210736320792267
Energy: 1.0461195312697105
Energy: 0.9210736320807624
Energy: 1.07504595558955
Energy: 0.9726292132194131
Energy: 1.0221752569907787
Energy: 0.9726292132086631
Energy: 1.1058598000071926
Energy: 0.9293772583877628
Energy: 1.0007553126814237
Energy: 0.929377258386227
Energy: 1.1061844502528893
Energy: 0.9285129281353083
Energy: 1.0046705506201021
Energy: 0.9285129281353083
Energy: 0.9891482626618295
Energy: 0.9706705940674548
Energy: 1.0689654386978393
Energy: 0.9706705940674548
Energy: 0.9818867118020168
Energy: 0.9631022278644695
Energy: 1.105797513383818
Energy: 0.9631022278644695
Energy: 0.9829067899307451
Energy: 0.9640169463117996
Energy: 1.1897415974088192
Energy: 0.9640169463148709
Energy: 1.0302804328963124
Energy: 0.9945347844655684
Energy: 1.1087556120346374
Energy: 0.9945347844655684
Energy: 1.1907832073969349
Energy: 1.022382067723015
Energy: 0.9924092479484684
Energy: 1.022382067723015
Energy: 1.029982171052782
Energy: 0.9994692377380328
Energy: 0.9924973316798789
Energy: 0.9994692377380328
Energy: 1.0301422008250236
Energy: 0.9992631816231099
Energy: 1.026341885719335
Energy: 0.9992631816231099
Energy: 0.991789539323265
Energy: 0.9999282797528858
Energy: 1.1900187416429806
Energy: 0.9999282797544216
Energy: 0.9924748117076047
Energy: 0.9963869098319883
Energy: 0.9928481966613075
Energy: 0.9963869098319883
Energy: 1.2304570903308354
Energy: 0.9983575125891259
Energy: 0.9922963943278292
Energy: 0.9983575125860544

minimum gb energy = 0.918341479852568 eV
minimum distance =  2.26589960374826 Angstroms
sigma value = 41


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

Energy: 1.255428768202284
Energy: 1.1006813578441847
Energy: 1.0810257118055973
Energy: 1.1006813578441847
Energy: 0.9299649099686481
Energy: 0.9220885600368194
Energy: 0.9117732968272828
Energy: 0.9220885600431146
Energy: 0.9277986630353938
Energy: 0.9304784227340037
Energy: 0.9148473354914363
Energy: 0.9304784227352627
Energy: 0.9268441625077802
Energy: 0.9308029263447386
Energy: 0.9161535044567451
Energy: 0.9308029263522926
Energy: 0.9615655807609155
Energy: 0.9141929640291242
Energy: 0.9118622844701028
Energy: 0.9141929638755802
Energy: 0.9134744664225148
Energy: 0.9005256055888741
Energy: 0.9126259504452503
Energy: 0.9005256055888741
Energy: 0.9126807617543933
Energy: 0.9002060187729316
Energy: 0.9128495842781428
Energy: 0.9002060187716727
Energy: 0.9467313133602978
Energy: 0.9396990053756747
Energy: 0.9406245779372405
Energy: 0.9396990053807107
Energy: 0.9198575804235594
Energy: 0.8664693796998963
Energy: 0.952827104792102
Energy: 0.8664693797011553
Energy: 0.9262855731279926
Energy: 0.8649939812193298
Energy: 1.0582630277549325
Energy: 0.8649939812193298
Energy: 0.9532683838285734
Energy: 1.0274236877960443
Energy: 0.9912466873245737
Energy: 1.0274236878275198
Energy: 1.0302306816339466
Energy: 0.8466829415282293
Energy: 0.9407339372428528
Energy: 0.8466829415320065
Energy: 1.0045847229546838
Energy: 0.8495312082282181
Energy: 0.9464311766769151
Energy: 0.8495312082282181
Energy: 0.9919584162961923
Energy: 0.8427714527823852
Energy: 0.9777918873817215
Energy: 0.8427714527823852
Energy: 0.9821807280100777
Energy: 0.8403482354295169
Energy: 0.9788272581896559
Energy: 0.8403482354244807
Energy: 0.9820326803551664
Energy: 0.8409951832210384
Energy: 0.9809289111976879
Energy: 0.8409951832235564
Energy: 0.9549555884533099
Energy: 0.8494727330811908
Energy: 0.9916424358721472
Energy: 0.8494727330824499
Energy: 0.9455395767188215
Energy: 0.8469278108823362
Energy: 1.0335398879771163
Energy: 0.8469278108835953
Energy: 0.9597115436159551
Energy: 0.8478806370281722
Energy: 1.031024801569785
Energy: 0.8478806370332082
Energy: 0.9874778186874463
Energy: 0.865978411366046
Energy: 0.9443513375463972
Energy: 0.865978411367305
Energy: 0.9421109224218995
Energy: 0.8647775526484092
Energy: 0.9167238341041444
Energy: 0.8647775526471502
Energy: 0.9356453893003751
Energy: 0.8652317199385522
Energy: 0.9472121102967428
Energy: 0.8652317199423293
Energy: 0.9213814155629875
Energy: 0.8998942511584015
Energy: 0.985091783673699
Energy: 0.8998942511546245
Energy: 0.9149435425672826
Energy: 0.8997457106877457
Energy: 0.9334585609781547
Energy: 0.8997457106902637
Energy: 0.9135109812071674
Energy: 0.9019937017318307
Energy: 0.9127463158530236
Energy: 0.9019937017318307
Energy: 0.9110243488433717
Energy: 0.9316285831498103
Energy: 0.9280744678410241
Energy: 0.9316285831510693
Energy: 0.910616735309885
Energy: 0.9317296091172587
Energy: 0.9323294325052708
Energy: 0.9317296091159997
Energy: 0.9126447536665349
Energy: 1.0206833513130606
Energy: 0.9286184539953034
Energy: 1.0206833512891678
Energy: 0.9299459431969469
Energy: 0.9313058715384473
Energy: 0.908820653412609
Energy: 0.9313058715371882
Energy: 0.9262214074692167
Energy: 0.9323985282167564
Energy: 0.9103012296349027
Energy: 0.9323985282129794
Energy: 0.9276707145851213
Energy: 0.9241398646560346
Energy: 0.9276180777039448
Energy: 0.9241398646598116
Energy: 0.9053233182913201
Energy: 0.931334682888628
Energy: 0.930172525155333
Energy: 0.9313346828458497

minimum gb energy = 0.8403482354244807 eV
minimum distance =  2.25944643572727 Angstroms
sigma value = 15


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

Energy: 1.0388316072471198
Energy: 0.9996260218794046
Energy: 1.0388372064145321
Energy: 0.9996260218751384
Energy: 0.8736355982749374
Energy: 0.863478596735677
Energy: 0.8612921187714676
Energy: 0.8634785967772246
Energy: 0.8801817258793305
Energy: 0.8740914327832804
Energy: 0.8523186151706196
Energy: 0.8740914327832804
Energy: 0.8682806340553179
Energy: 0.8734413099265972
Energy: 0.8548622029916464
Energy: 0.8734413099244642
Energy: 0.8571998372798584
Energy: 0.844617954504896
Energy: 0.8567508779834772
Energy: 0.844617954504896
Energy: 0.8651265050315897
Energy: 0.8448280351010168
Energy: 0.8542125512296668
Energy: 0.844828035105283
Energy: 0.8775594348667687
Energy: 0.84594088304789
Energy: 0.8597964126026116
Energy: 0.8459408830468235
Energy: 0.8822482258695435
Energy: 0.9034187480869499
Energy: 0.8745602204634915
Energy: 0.9034187482340884
Energy: 0.8576294388280513
Energy: 0.8145351719418416
Energy: 0.8598744679662687
Energy: 0.814535171938642
Energy: 0.8627970109645524
Energy: 0.8135683650250563
Energy: 0.8865501570364613
Energy: 0.8135683650229232
Energy: 0.8873046016285339
Energy: 0.8931402947542479
Energy: 0.911954258666338
Energy: 0.8931402952350781
Energy: 0.9897169080330134
Energy: 0.7933802408174987
Energy: 0.8670404066397562
Energy: 0.7933802408132324
Energy: 0.9217304693032965
Energy: 0.7959713700579292
Energy: 0.8744425865171438
Energy: 0.7959713700589958
Energy: 0.9233054359040598
Energy: 0.7824954904178305
Energy: 0.8933809325224489
Energy: 0.782495490418897
Energy: 0.8942769654640732
Energy: 0.783154223987197
Energy: 0.9669525967530964
Energy: 0.7831542239850638
Energy: 0.8978987948077709
Energy: 0.7851419303974797
Energy: 0.9208925269688673
Energy: 0.7851419303953465
Energy: 0.9310446375817077
Energy: 0.7875332610877946
Energy: 0.9210931831333942
Energy: 0.7875332610824617
Energy: 0.9344526838361784
Energy: 0.7788215629120038
Energy: 0.9338248224379125
Energy: 0.7788215629109373
Energy: 0.9216959454557706
Energy: 0.7867597976884307
Energy: 0.9305364549963827
Energy: 0.7867597976852309
Energy: 0.9213479233778347
Energy: 0.7871754972487359
Energy: 0.901543512393715
Energy: 0.7871754972562021
Energy: 0.9697092931642379
Energy: 0.7836600389019764
Energy: 0.8948308430265014
Energy: 0.7836600389073094
Energy: 0.9643097069540983
Energy: 0.7828072787956678
Energy: 0.9217099333668981
Energy: 0.7828072787946013
Energy: 0.8837139956864589
Energy: 0.7941238430419153
Energy: 0.9177712329278558
Energy: 0.7941238430408487
Energy: 0.8670538466444714
Energy: 0.7931595784982419
Energy: 0.9530816178655387
Energy: 0.7931595785025082
Energy: 0.9114249888597379
Energy: 0.9261004577176906
Energy: 0.8875049716724974
Energy: 0.926100457716624
Energy: 0.9135149026521794
Energy: 0.8148073881181439
Energy: 0.8590995663472598
Energy: 0.8148073881202771
Energy: 0.8880111772088751
Energy: 0.8141943029469811
Energy: 0.8570286357389417
Energy: 0.8141943029491142
Energy: 0.8748826302776943
Energy: 0.9040189778847467
Energy: 0.8836630571345515
Energy: 0.9040189778826137
Energy: 0.8541752838787942
Energy: 0.8456490600102691
Energy: 0.869873790986886
Energy: 0.8456490600070692
Energy: 0.8615118622235637
Energy: 0.8446197615899113
Energy: 0.8687861527566593
Energy: 0.8446197615888447
Energy: 0.8591873477583303
Energy: 0.8743370589715094
Energy: 0.8554827298671229
Energy: 0.8743370590493691
Energy: 0.8714194993189881
Energy: 0.8739936126269053
Energy: 0.8682063848761284
Energy: 0.8739936126247722
Energy: 0.874536070710922
Energy: 0.8739303593277205
Energy: 0.8780984386654836
Energy: 0.8739303593287872
Energy: 0.8572020547979029
Energy: 0.8633325834017508
Energy: 0.8717904124444
Energy: 0.8633325833974845
Energy: 0.9992099944212957
Energy: 0.868665536344304
Energy: 0.8735809114098905
Energy: 0.8686655363421708
Energy: 0.8694058339755489
Energy: 0.8756804809679303
Energy: 0.8553876071968909
Energy: 0.8756804809668637
Energy: 0.8537638742930189
Energy: 0.8751300786415758
Energy: 0.8724893420673667
Energy: 0.8751300785317673

minimum gb energy = 0.7788215629109373 eV
minimum distance =  2.26009456816921 Angstroms
sigma value = 85


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

Energy: 1.009152429048662
Energy: 0.8994342084417841
Energy: 0.8864332045726112
Energy: 0.8994342084408592
Energy: 0.7676268335759473
Energy: 0.7666231455890727
Energy: 0.7641170080327221
Energy: 0.7666231455918479
Energy: 0.7677042562095127
Energy: 0.7691163185453614
Energy: 0.7999917046910835
Energy: 0.7691163185425866
Energy: 0.7677357031444154
Energy: 0.7697283372347433
Energy: 0.7769416335721862
Energy: 0.7697283372347433
Energy: 0.7946094103875208
Energy: 0.7957910725412096
Energy: 0.7638383781509903
Energy: 0.7957910725439847
Energy: 0.7565190970969172
Energy: 0.7527230571151877
Energy: 0.764811626474582
Energy: 0.7527230571161128
Energy: 0.7461930307238724
Energy: 0.7528576023356714
Energy: 0.7641822467056646
Energy: 0.7528576023365965
Energy: 0.8243625370859656
Energy: 0.7936823065046639
Energy: 0.7650399993915554
Energy: 0.7936823065046639
Energy: 0.7716184531175879
Energy: 0.7333550003211259
Energy: 0.7570551263003028
Energy: 0.7333550003211259
Energy: 0.7749740565003668
Energy: 0.7326773631766214
Energy: 0.7567487803281917
Energy: 0.7326773631766214
Energy: 0.7749870768740672
Energy: 0.8295307219303618
Energy: 0.8260648957935892
Energy: 0.8295307219192615
Energy: 0.8541521788905206
Energy: 0.721652466477059
Energy: 0.7896788416450516
Energy: 0.7216524664798342
Energy: 0.8374666004035516
Energy: 0.7229933855366749
Energy: 0.8048178473062048
Energy: 0.7229933855366749
Energy: 0.8369301033619483
Energy: 0.7171831043393327
Energy: 0.816088380938432
Energy: 0.7171831043393327
Energy: 0.8154042124473895
Energy: 0.7160118845147637
Energy: 0.9198642599594975
Energy: 0.7160118845138386
Energy: 0.8276650685943916
Energy: 0.7178307756171851
Energy: 0.8472617347552662
Energy: 0.7178307756171851
Energy: 0.903495557504435
Energy: 0.7149917450430374
Energy: 0.8476649847862456
Energy: 0.7149917450439625
Energy: 0.9050992633622778
Energy: 0.7137615696605385
Energy: 0.8430445612071282
Energy: 0.7137615696605385
Energy: 0.8519944060456947
Energy: 0.7143094297104249
Energy: 0.8513250456359863
Energy: 0.7143094297104249
Energy: 0.8517699205397522
Energy: 0.7146909180391201
Energy: 0.8784752144342267
Energy: 0.714690918038195
Energy: 0.8729804325079724
Energy: 0.715750588732834
Energy: 0.8725485881608721
Energy: 0.715750588731909
Energy: 0.838936350235886
Energy: 0.7135500944082344
Energy: 0.8522428091877379
Energy: 0.7135500944063843
Energy: 0.8471052234256402
Energy: 0.7139919155077911
Energy: 0.853931487728484
Energy: 0.7139919155096411
Energy: 0.843373283698001
Energy: 0.7142906440362173
Energy: 0.9047929769224106
Energy: 0.7142906440371424
Energy: 0.8478936479646666
Energy: 0.9022447660037574
Energy: 0.8300250803511905
Energy: 0.90224476611657
Energy: 0.9075933179034853
Energy: 0.7168726680157942
Energy: 0.8167724110956914
Energy: 0.7168726680185693
Energy: 0.8608637819054819
Energy: 0.7166849425063484
Energy: 0.8137931827720157
Energy: 0.7166849425063484
Energy: 0.8146627919380192
Energy: 0.8152874182484818
Energy: 0.8367450263186864
Energy: 0.8152874182484818
Energy: 0.7936409685101179
Energy: 0.7213809806649565
Energy: 0.7750396185216876
Energy: 0.7213809806649565
Energy: 0.7895051594579761
Energy: 0.7223527638997517
Energy: 0.7753110586321327
Energy: 0.7223527639025269
Energy: 0.8266946175810067
Energy: 0.7747943476977893
Energy: 0.7748480692822585
Energy: 0.7747943476996393
Energy: 0.8370579420453902
Energy: 0.7320963571922419
Energy: 0.7727681861450696
Energy: 0.7320963571931668
Energy: 0.7642636862797041
Energy: 0.7341210823982889
Energy: 0.7734894865443187
Energy: 0.7341210823991928
Energy: 0.7651401908178014
Energy: 0.7931535774317551
Energy: 0.8249517170714545
Energy: 0.7931535774299049
Energy: 0.7705737474415849
Energy: 0.7517020858156174
Energy: 0.8428131080838781
Energy: 0.7517020858174674
Energy: 0.7656960061052156
Energy: 0.7543623974998034
Energy: 0.7661034614106862
Energy: 0.7543623975007286
Energy: 0.7842327448194047
Energy: 0.7678341606154121
Energy: 0.7944865731516775
Energy: 0.7678341606154121
Energy: 0.780566231213735
Energy: 0.7685176734186044
Energy: 0.7685609323395176
Energy: 0.7685176734195296
Energy: 0.7651321719824165
Energy: 0.7707134298850843
Energy: 0.7675143097186035
Energy: 0.770713429948891
Energy: 0.7637095632439668
Energy: 0.768118549417693
Energy: 0.8219862699126321
Energy: 0.7681185494204681
Energy: 0.7673753303816119
Energy: 0.7692166326208981
Energy: 0.7817807561535637
Energy: 0.769216632618123
Energy: 0.767348954991495
Energy: 0.7701676346847119
Energy: 0.7679461646360711
Energy: 0.7701676259192444
Energy: 0.78304431965827
Energy: 0.7687752948786377
Energy: 0.7674547099114459
Energy: 0.7687752948814128

minimum gb energy = 0.7135500944063843 eV
minimum distance =  2.26751006815029 Angstroms
sigma value = 113


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

Energy: 0.013553604468104143
Energy: 0.10309808870097718
Energy: 0.86368155384075
Energy: 0.10309808869959446
Energy: 0.09369434057262326
Energy: 0.10370441927924282
Energy: 0.09195075791080216
Energy: 0.10370441927924282
Energy: 0.09259610079758669
Energy: 0.10396135603726554
Energy: 0.014249147466084735
Energy: 0.10396135603795692
Energy: 0.08902487706422423
Energy: 0.10448623401620398
Energy: 0.01566618028594914
Energy: 0.10448623401620398
Energy: 0.09037050505013863
Energy: 0.10321588448773397
Energy: 0.09129586097586495
Energy: 0.1032158844870426
Energy: 0.014131347950595863
Energy: 0.10363174323014125
Energy: 0.0895556016081953
Energy: 0.10363174323014125

minimum gb energy = 0.013553604468104143 eV
minimum distance =  2.44525666868459 Angstroms
sigma value = 1