Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
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=2.8553125262260437
cohesive_energy=4.013297914353109
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=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-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: 0.012404571555119552
Energy: 0.9400965655187357
Energy: 1.662802473243658
Energy: 0.012633922379644546
Energy: 0.9400965655187357
Energy: 0.2144671325516911
Energy: 0.9395647432979197
Energy: 0.2144671325516911
Energy: 1.662802473241703
Energy: 0.9395647432979197
Energy: 1.2684052582463243
Energy: 0.9395647432969423
Energy: 0.012633922379644546
Energy: 0.2144671325516911
Energy: 0.9395647432979197
Energy: 0.2144671325516911

minimum gb energy = 0.012404571555119552 eV
minimum distance =  2.43119775584001 Angstroms
sigma value = 1


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

Energy: 2.001517978447392
Energy: 0.8975540730254299
Energy: 0.8984021391376253
Energy: 1.0146524415425937
Energy: 1.7703885886344137
Energy: 0.9657186960860213
Energy: 0.9690542280641571
Energy: 0.9657186960848021
Energy: 1.7824326329220186
Energy: 0.8995606819819397
Energy: 0.8995825326283905
Energy: 0.8995606819795011
Energy: 1.774697610291257
Energy: 0.9258532661454193
Energy: 0.8988203752769267
Energy: 0.9258532661429807
Energy: 1.8504458831729733
Energy: 0.8979805232665969
Energy: 1.2951604875952376
Energy: 0.8979805232617196
Energy: 1.776110130402517
Energy: 0.9260206761581111
Energy: 1.2115982100353853
Energy: 0.9260206761605498
Energy: 1.6971658502926672
Energy: 0.8990485603500511
Energy: 1.227784209276659
Energy: 0.899048560341516
Energy: 1.5197112892437152
Energy: 0.8976876051336131
Energy: 1.1914141227937323
Energy: 0.8976876051287358
Energy: 1.4545832507679177
Energy: 0.8972604611280975
Energy: 1.1901485761511987
Energy: 0.8972604611256588
Energy: 1.5291183454663007
Energy: 0.9634750398435509
Energy: 1.5260221922354977
Energy: 0.9634750398459894
Energy: 1.5154282947948525
Energy: 0.8976391797266757
Energy: 1.4379596659024585
Energy: 0.8976391797254565
Energy: 1.1939589018647712
Energy: 0.8977302655125217
Energy: 1.5258535145150016
Energy: 0.8977302655161242
Energy: 1.2592027422235397
Energy: 0.9005905973446009
Energy: 1.518551550680003
Energy: 0.9005905973470396
Energy: 1.2166482364955327
Energy: 0.9256035414149062
Energy: 1.7766947725833906
Energy: 0.9256035414185642
Energy: 1.21768902289316
Energy: 0.8980392375481339
Energy: 1.591732445635912
Energy: 0.8980392375456953
Energy: 0.8976305464221369
Energy: 0.9257504707768249
Energy: 1.780383552016002
Energy: 0.9257504707829214
Energy: 0.8994763966549831
Energy: 0.8990121112278261
Energy: 1.7833646340354192
Energy: 0.8990121112278261
Energy: 0.967225692814078
Energy: 0.9650879696437534
Energy: 1.7664818507889932
Energy: 0.9650879696425341
Energy: 0.8980917696574785
Energy: 0.8980884984170848
Energy: 1.676553099072839
Energy: 0.8980884984146461
Energy: 1.013525528239132
Energy: 0.9655145222422937
Energy: 1.7664966964451458
Energy: 0.9655145222410745
Energy: 1.0064041484976791
Energy: 0.8984853023946627
Energy: 1.776887226092481
Energy: 0.89848530239954
Energy: 1.004108508689106
Energy: 0.8975149114058213
Energy: 1.6979764559441812
Energy: 0.8975149114070405
Energy: 1.0027087957798564
Energy: 0.8972718696606768
Energy: 1.5157605691712737
Energy: 0.8972718696643348
Energy: 1.3586444883517674
Energy: 0.897856732578051
Energy: 1.6994043032068638
Energy: 0.8978567325768316
Energy: 1.3836677884721176
Energy: 1.0501062068917386
Energy: 1.6872912159011368
Energy: 1.0501062068929579
Energy: 1.3590602524959634
Energy: 1.157438738415223
Energy: 1.3550950415575278
Energy: 1.1574387384201001
Energy: 1.3700830418391623
Energy: 1.1575410687046899
Energy: 1.444700463583587
Energy: 1.1575410687120058
Energy: 1.6984629059929144
Energy: 0.8999686588843063
Energy: 1.3542968789687246
Energy: 0.8999686588916221
Energy: 1.5913512251688506
Energy: 0.8973863304783867
Energy: 1.36468546261415
Energy: 0.8973863304759481
Energy: 1.5916446816014693
Energy: 0.8977924746179609
Energy: 1.0055274270424697
Energy: 0.8977924746179609
Energy: 1.687578066640854
Energy: 0.8980130348999429
Energy: 1.0211838809497455
Energy: 0.8980130349011621
Energy: 1.7689536134741068
Energy: 0.8989913307321611
Energy: 1.0454103438716902
Energy: 0.8989913307321611
Energy: 1.7663598133820755
Energy: 0.8976445918647116
Energy: 0.9888793153274378
Energy: 0.8976445918793432

minimum gb energy = 0.8972604611256588 eV
minimum distance =  2.30866013085405 Angstroms
sigma value = 1


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

Energy: 2.217740830248656
Energy: 0.9324918505856118
Energy: 0.9321700092673706
Energy: 1.0962042164969832
Energy: 1.7303519279957449
Energy: 1.0092853079858901
Energy: 1.0088302546204964
Energy: 1.0092853079872803
Energy: 1.72714234290076
Energy: 0.9321095562742844
Energy: 0.9317427122507728
Energy: 0.9321095562742844
Energy: 1.71686124729253
Energy: 1.0091807505747714
Energy: 1.0129665669627612
Energy: 1.0091807505747714
Energy: 1.8680097765955725
Energy: 0.9324690623922751
Energy: 1.0914552102452306
Energy: 0.9324690623936654
Energy: 1.71791912268596
Energy: 1.0091859809570078
Energy: 1.2317378013189113
Energy: 1.0091859809583978
Energy: 1.7271065118860671
Energy: 0.9345028622840245
Energy: 1.1567869923934895
Energy: 0.9345028622840245
Energy: 1.543473837905499
Energy: 1.0870334974061802
Energy: 1.163890624454984
Energy: 1.0870334974075706
Energy: 1.529719601695657
Energy: 0.9319829841308614
Energy: 1.1633097546634792
Energy: 0.9319829841294711
Energy: 1.5430349206095357
Energy: 1.0120064878746147
Energy: 1.5352550289282898
Energy: 1.0120064878746147
Energy: 1.5446296143854499
Energy: 0.9321016738842068
Energy: 1.4860575567001806
Energy: 0.9321016738842068
Energy: 1.1542438293048378
Energy: 1.0871067129360634
Energy: 1.3477423304581857
Energy: 1.0871067129374534
Energy: 1.2256855933710638
Energy: 0.9321730603884015
Energy: 1.5356787930990246
Energy: 0.932173060391182
Energy: 1.2271148388708724
Energy: 0.9322879690985214
Energy: 1.7281733370985752
Energy: 0.9322879690985214
Energy: 1.043750744679622
Energy: 0.9330492195551611
Energy: 1.7046169257579795
Energy: 0.9330492195537707
Energy: 1.0086578794707177
Energy: 1.0094027349314245
Energy: 1.7159058228547137
Energy: 1.009402734932815
Energy: 0.9315492435787349
Energy: 0.9322380373952415
Energy: 1.7277908295493296
Energy: 0.9322380373952415
Energy: 1.0121639555230504
Energy: 1.0132832701360652
Energy: 1.7149156590605297
Energy: 1.0132832701374557
Energy: 1.0122739535138927
Energy: 0.9328889510369093
Energy: 1.5232809037940234
Energy: 0.9328889510369093
Energy: 1.2345661529017937
Energy: 1.0093658973771111
Energy: 1.7164429482306562
Energy: 1.0093658973785014
Energy: 1.1563204946175842
Energy: 0.9346196846032101
Energy: 1.7274530011612006
Energy: 0.9346196846018199
Energy: 1.161016039997943
Energy: 1.0871127479522098
Energy: 1.5477170904627753
Energy: 1.0871127479522098
Energy: 1.1633416056765549
Energy: 1.08792307542354
Energy: 1.5289279473971653
Energy: 1.0879230754221496
Energy: 1.5361030086652254
Energy: 1.012340799904479
Energy: 1.5451990886580496
Energy: 1.0123407999030885
Energy: 1.34716755159328
Energy: 0.9335233888858642
Energy: 1.5445330729186033
Energy: 0.9335233888844738
Energy: 1.3463088119601405
Energy: 1.08710707081438
Energy: 1.227050847210905
Energy: 1.08710707081299
Energy: 1.535256941032448
Energy: 0.9319334849912317
Energy: 1.2267185409148929
Energy: 0.9319334849926219
Energy: 1.72967834920962
Energy: 0.9323600872243849
Energy: 1.2289944189035462
Energy: 0.9323600872243849
Energy: 1.7182597052706703
Energy: 0.9330941591240538
Energy: 1.1525249388398344
Energy: 0.9330941591393461

minimum gb energy = 0.9315492435787349 eV
minimum distance =  2.31605430276356 Angstroms
sigma value = 25


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

Energy: 2.1038757730928546
Energy: 0.9958966644383019
Energy: 0.9984562591321408
Energy: 1.1032967373504285
Energy: 1.6388757932473066
Energy: 1.081269167446371
Energy: 1.116676142941655
Energy: 1.081269167444755
Energy: 1.6420827154545128
Energy: 0.9970139486102931
Energy: 1.0003489516326864
Energy: 0.9970139486086771
Energy: 1.6414312190964278
Energy: 1.0276064507900013
Energy: 1.0282506719096713
Energy: 1.0276064507932337
Energy: 1.552224252697878
Energy: 0.997906825847107
Energy: 1.4114342866074838
Energy: 0.9979068258454908
Energy: 1.6634758664448681
Energy: 1.0277423114251236
Energy: 1.3732173074908895
Energy: 1.0277423114235074
Energy: 1.6420414066736724
Energy: 1.1528406927546753
Energy: 1.3572731026208138
Energy: 1.1528406927595236
Energy: 1.3469245537551633
Energy: 1.245972391253861
Energy: 1.3573650925659129
Energy: 1.2459723912554772
Energy: 1.358503524722863
Energy: 1.153208175259845
Energy: 1.3571137532814694
Energy: 1.153208175258229
Energy: 1.3781874546670825
Energy: 0.9988062706915253
Energy: 1.6427279149805
Energy: 0.9988062706915253
Energy: 1.3092718493309539
Energy: 0.9976992210233534
Energy: 1.6519191057833829
Energy: 0.9976992210233534
Energy: 1.028665324629456
Energy: 1.0280885608716581
Energy: 1.6527610199537495
Energy: 1.0280885608716581
Energy: 0.9931441598523383
Energy: 0.9946602280912724
Energy: 1.6407420810120947
Energy: 0.9946602280896565
Energy: 1.0772607445284699
Energy: 0.9980222158770102
Energy: 1.6390008948569048
Energy: 0.9980222158785895
Energy: 1.0286747779722383
Energy: 0.9987766101448045
Energy: 1.5507615614621304
Energy: 0.9987766101415723
Energy: 1.2453233043588803
Energy: 1.1165620618398258
Energy: 1.6391059873354672
Energy: 1.1165620618398258
Energy: 1.13777016437639
Energy: 0.9978731209331869
Energy: 1.641645490755377
Energy: 0.9978731209315708
Energy: 1.1377285786752211
Energy: 0.9942056421899984
Energy: 1.5465708965079075
Energy: 0.9942056421867662
Energy: 1.2088718304089294
Energy: 0.9988374047228397
Energy: 1.516403216777488
Energy: 0.9988374047228397
Energy: 1.564286399102078
Energy: 1.08705920331729
Energy: 1.5473175063083646
Energy: 1.08705920331729
Energy: 1.4520123680342603
Energy: 0.993366421935594
Energy: 1.5475868314213392
Energy: 0.993366421935594
Energy: 1.4512642787238683
Energy: 0.9981136155110367
Energy: 1.180156914829135
Energy: 0.9981136155110367
Energy: 1.5469123623079946
Energy: 0.9993317885906249
Energy: 1.1682041118872155
Energy: 0.9993317885906249
Energy: 1.6417557119172925
Energy: 0.9938547041262943
Energy: 1.2424436329881712
Energy: 0.9938547041230622
Energy: 1.6493335256086388
Energy: 0.9983641289951984
Energy: 1.1581492281797572
Energy: 0.9983641289967777

minimum gb energy = 0.9931441598523383 eV
minimum distance =  2.30240802348542 Angstroms
sigma value = 9


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

Energy: 1.8774078400440586
Energy: 1.1370870589712778
Energy: 1.1353099981082828
Energy: 1.3349458924229067
Energy: 1.5327129713172745
Energy: 1.0395791360879774
Energy: 1.1383400416415521
Energy: 1.0395791360879774
Energy: 1.5700829411215396
Energy: 1.039548219871247
Energy: 1.0393315619783863
Energy: 1.0395482198635573
Energy: 1.5700813435378826
Energy: 1.1376333373070113
Energy: 1.1372224156466906
Energy: 1.1376333373073837
Energy: 1.4450074644333293
Energy: 1.043898888907175
Energy: 1.1782204525447793
Energy: 1.0438988889077665
Energy: 1.569800814941416
Energy: 1.1906142184670985
Energy: 1.4215187324479586
Energy: 1.1906142184665292
Energy: 1.5703390437904574
Energy: 1.1985186290129215
Energy: 1.0172650116819544
Energy: 1.1985186290135128
Energy: 1.3843029748446265
Energy: 1.194261168749254
Energy: 1.3486853251639244
Energy: 1.194261168749057
Energy: 1.317158782715017
Energy: 1.1975743125361769
Energy: 1.3502169337093857
Energy: 1.1975743125375353
Energy: 1.3829799215445218
Energy: 1.1915232360644237
Energy: 1.5321307933818034
Energy: 1.1915232360686738
Energy: 1.317001761333189
Energy: 1.1370515754223625
Energy: 1.5075496120073297
Energy: 1.1370515754217931
Energy: 1.1379383582985323
Energy: 1.1379448619497023
Energy: 1.5067511529410544
Energy: 1.1379448619516304
Energy: 1.0420907459821112
Energy: 1.0397204537026663
Energy: 1.5719804758879092
Energy: 1.0397204537020963
Energy: 1.1371882408348406
Energy: 1.0396889237674285
Energy: 1.5769230160314014
Energy: 1.039688923766859
Energy: 1.1386551618880991
Energy: 1.040227175308175
Energy: 1.4447681241068382
Energy: 1.040227175314331
Energy: 1.4207919714956387
Energy: 1.2794234395858781
Energy: 1.5700628868822613
Energy: 1.2794234395849142
Energy: 1.0168677701907864
Energy: 1.040792322281845
Energy: 1.5707701193538515
Energy: 1.040792322275864
Energy: 1.0169302983548067
Energy: 1.197544571465343
Energy: 1.3853838371696567
Energy: 1.197544571464182
Energy: 1.3485023500671887
Energy: 1.1986454490360703
Energy: 1.4597585443364944
Energy: 1.1986454490366618
Energy: 1.5315529458159098
Energy: 1.1899245048449827
Energy: 1.3844475956933993
Energy: 1.189924504849408
Energy: 1.507411855338347
Energy: 1.1383039626323008
Energy: 1.3859476047684651
Energy: 1.138303962632498

minimum gb energy = 1.0168677701907864 eV
minimum distance =  2.30976489323354 Angstroms
sigma value = 25


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

Energy: 1.6447260383694597
Energy: 1.2147450498439507
Energy: 1.2228769565467519
Energy: 1.2010873888004368
Energy: 1.4604292627242808
Energy: 1.145317275850035
Energy: 1.2211684915773475
Energy: 1.1453172758512271
Energy: 1.4660787394408061
Energy: 1.131813280834033
Energy: 1.1299034279160927
Energy: 1.131813280833789
Energy: 1.4545785129189295
Energy: 1.1329007648670968
Energy: 1.1328511865036066
Energy: 1.1329007648670968
Energy: 1.3767887670060428
Energy: 1.132043984358712
Energy: 1.570804390676967
Energy: 1.1320439845515071
Energy: 1.4696653309857515
Energy: 1.2528605068260108
Energy: 1.44390356420622
Energy: 1.2528605068295873
Energy: 1.4702903737942135
Energy: 1.1323086698963323
Energy: 1.5193374802525224
Energy: 1.1323086700769625
Energy: 1.1324017200013694
Energy: 1.1329564438541577
Energy: 1.5126993117780279
Energy: 1.1329564438534534
Energy: 1.1325955258824454
Energy: 1.1317589051030466
Energy: 1.4597071962318433
Energy: 1.1317589051020713
Energy: 1.201413837575829
Energy: 1.1313043011480448
Energy: 1.4592644829391337
Energy: 1.1313043011470965
Energy: 1.1309939265282547
Energy: 1.1346064377480418
Energy: 1.4522667783827932
Energy: 1.134606437754463
Energy: 1.4593445027877274
Energy: 1.222676619303135
Energy: 1.4524673234638463
Energy: 1.2226766193012386
Energy: 1.322220031891808
Energy: 1.1312507948670538
Energy: 1.4615826573642698
Energy: 1.1312507948630168
Energy: 1.3298338643903909
Energy: 1.2591186890135877
Energy: 1.3829743203021259
Energy: 1.2591186890131
Energy: 1.407205988214855
Energy: 1.2587086055957426
Energy: 1.380911215490866
Energy: 1.2587086055945507
Energy: 1.4588060786630543
Energy: 1.2588942028505858
Energy: 1.3850685619398704
Energy: 1.2588942028486894
Energy: 1.373738330870141
Energy: 1.2219438612700866
Energy: 1.3943850470405483
Energy: 1.2219438612688946

minimum gb energy = 1.1299034279160927 eV
minimum distance =  2.30313719539174 Angstroms
sigma value = 17


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

Energy: 1.6382751074793862
Energy: 1.2017489801223709
Energy: 1.3036159059497006
Energy: 1.2966665235118582
Energy: 1.4091258819492123
Energy: 1.1498183518087763
Energy: 1.3076950598160308
Energy: 1.149818351807426
Energy: 1.4022360213558318
Energy: 1.1507290952603724
Energy: 1.1892940123739764
Energy: 1.1507290952603724
Energy: 1.432977898914575
Energy: 1.1398327934336119
Energy: 1.139627422316481
Energy: 1.1398327934349621
Energy: 1.4273850209094925
Energy: 1.2935204475528612
Energy: 1.4531208053163973
Energy: 1.2935204475528612
Energy: 1.4033896584482122
Energy: 1.154738393823868
Energy: 1.368928780968476
Energy: 1.1547383938211675
Energy: 1.3849580815921148
Energy: 1.2315309907714533
Energy: 1.4654455475932984
Energy: 1.231530990774154
Energy: 1.2393414407244927
Energy: 1.2398110759374177
Energy: 1.404393497815442
Energy: 1.2398110759414687
Energy: 1.1724431734815164
Energy: 1.1549968527217873
Energy: 1.3841502549155824
Energy: 1.1549968527190868
Energy: 1.1624032029711364
Energy: 1.1549960931099719
Energy: 1.3849542581236916
Energy: 1.1549960931099719
Energy: 1.1586271638726748
Energy: 1.2597005489722644
Energy: 1.433892906709381
Energy: 1.2597005489722644
Energy: 1.3770699513879283
Energy: 1.241950877388094
Energy: 1.3848453387090822
Energy: 1.2419508773853936
Energy: 1.467177837623283
Energy: 1.1646762251408904
Energy: 1.3863631044163502
Energy: 1.1646762251408904
Energy: 1.468180297454128
Energy: 1.1521881078796272
Energy: 1.1639708893616039
Energy: 1.1521881079147043
Energy: 1.362490164188216
Energy: 1.1481210871329368
Energy: 1.1647984904448005
Energy: 1.1481210871302363
Energy: 1.3624399842674857
Energy: 1.1549493549891772
Energy: 1.1955430523269113
Energy: 1.1549493549878271
Energy: 1.3940409962829279
Energy: 1.2386583146980834
Energy: 1.239869623949893
Energy: 1.2386583146967332
Energy: 1.4446521350076014
Energy: 1.2386184623231795
Energy: 1.4397816386688145
Energy: 1.2386184623245298
Energy: 1.3622173499482049
Energy: 1.1546318301773815
Energy: 1.39466655559847
Energy: 1.154631830178732
Energy: 1.2367114663401457
Energy: 1.2936504094489678
Energy: 1.4483563821661698
Energy: 1.2936504094476173
Energy: 1.138177548676187
Energy: 1.1509595900222414
Energy: 1.3949293232008997
Energy: 1.1509595900168708
Energy: 1.1704375841315464
Energy: 1.1500947326159983
Energy: 1.3940898722628194
Energy: 1.1500947326227497
Energy: 1.2956550002058704
Energy: 1.2006969347271137
Energy: 1.394128302810073
Energy: 1.2006969347298142
Energy: 1.207162018083817
Energy: 1.1529867164877319
Energy: 1.4426557759143204
Energy: 1.152986716493133
Energy: 1.4197825495965424
Energy: 1.149875462829257
Energy: 1.3947656150992567
Energy: 1.1498754628306074
Energy: 1.265068188911578
Energy: 1.2547401487565635
Energy: 1.3941886959163299
Energy: 1.2547401487552132
Energy: 1.3132232425558743
Energy: 1.2583782053842854
Energy: 1.2755501819813948
Energy: 1.2583782053842854
Energy: 1.4016219250230442
Energy: 1.2547900971517314
Energy: 1.2687828668996728
Energy: 1.2547900971490304
Energy: 1.410083868332346
Energy: 1.1502866922741986
Energy: 1.3177646522256796
Energy: 1.1502866922714983
Energy: 1.401880802096111
Energy: 1.1518592008273982
Energy: 1.3309174663530763
Energy: 1.1518592008246977

minimum gb energy = 1.138177548676187 eV
minimum distance =  2.28383826185641 Angstroms
sigma value = 53


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

Energy: 1.021537945770964
Energy: 1.5685051144514237
Energy: 1.0555311187671248
Energy: 1.0421149974446444
Energy: 1.0571990932363646
Energy: 1.0573556814062772
Energy: 1.0614368442359252
Energy: 1.0573556814062772
Energy: 1.364775510943164
Energy: 1.0745257721093175
Energy: 1.052038516711651
Energy: 1.0745257721108719
Energy: 1.2276586213911644
Energy: 1.0780466738671546
Energy: 1.0571778840532413
Energy: 1.0780466738665189
Energy: 1.280731953477428
Energy: 1.0586839348962078
Energy: 1.060442031758006
Energy: 1.0586839348962078
Energy: 1.2236244243142818
Energy: 1.0773656888748904
Energy: 1.2824185864843611
Energy: 1.0773656888742547
Energy: 1.281517897516642
Energy: 1.077229188984345
Energy: 1.0236252592406163
Energy: 1.077229188984345
Energy: 1.0577995643206535
Energy: 1.0599176879892123
Energy: 1.0238010196977771
Energy: 1.0599176879892123
Energy: 1.0565159472828556
Energy: 1.0765785004414676
Energy: 1.2831813645704933
Energy: 1.0765785004395956
Energy: 1.0629845119588692
Energy: 1.077745237479294
Energy: 1.2227308033259103
Energy: 1.077745237478976
Energy: 1.0581013381980025
Energy: 1.058931487494351
Energy: 1.2288154109637381
Energy: 1.0589314874952696
Energy: 1.3655961263741827
Energy: 1.1627201164704102
Energy: 1.2275552640036096
Energy: 1.162720116471046
Energy: 1.0237866132546138
Energy: 1.0749763962733156
Energy: 1.3646366112519654
Energy: 1.074976396272998

minimum gb energy = 1.021537945770964 eV
minimum distance =  2.29380877358455 Angstroms
sigma value = 9


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

Energy: 1.736838174522595
Energy: 1.3301164682640065
Energy: 1.3293692164861142
Energy: 1.3203930317189227
Energy: 1.441319500632939
Energy: 1.285153663119751
Energy: 1.404310073524445
Energy: 1.2851536631232028
Energy: 1.2613680628684611
Energy: 1.2424599507513685
Energy: 1.2843081245868337
Energy: 1.242459950750218
Energy: 1.260825873995452
Energy: 1.246342658990945
Energy: 1.2591652600339132
Energy: 1.2463426589920956
Energy: 1.2351197041991793
Energy: 1.2444273978778304
Energy: 1.2624973473453909
Energy: 1.2444273978778304
Energy: 1.3172004085736546
Energy: 1.2917194456992442
Energy: 1.4629125568233965
Energy: 1.2917194456992442
Energy: 1.4090552306030544
Energy: 1.3732372237613433
Energy: 1.609181973724585
Energy: 1.3732372237636443
Energy: 1.4992065618555115
Energy: 1.298956767023334
Energy: 1.609072407113086
Energy: 1.298956766895675
Energy: 1.412327705029614
Energy: 1.2573105078459856
Energy: 1.3347165549884619
Energy: 1.257310507842534
Energy: 1.2821817052592464
Energy: 1.2906496121863258
Energy: 1.1854371672093762
Energy: 1.2906496121863258
Energy: 1.4394473208719774
Energy: 1.2535266382295178
Energy: 1.183808357478321
Energy: 1.2535266382295178
Energy: 1.3699198526471783
Energy: 1.3011641684326072
Energy: 1.2391200966524896
Energy: 1.3011641684395108
Energy: 1.6104568767984744
Energy: 1.3271484302727963
Energy: 1.311433860395279
Energy: 1.3271484302704952
Energy: 1.6103091319962812
Energy: 1.3706714589857985
Energy: 1.489937606310092
Energy: 1.3706714589811964
Energy: 1.4611163686479274
Energy: 1.2975275633022116
Energy: 1.5278292245602254
Energy: 1.2975275632953085
Energy: 1.4370966687427698
Energy: 1.328917227141824
Energy: 1.4971223598488366
Energy: 1.3289172271406735
Energy: 1.1982678402923865
Energy: 1.2019859462897982
Energy: 1.524109719469048
Energy: 1.2019859462920992
Energy: 1.2163702609831069
Energy: 1.2638059611077177
Energy: 1.6034845347164774
Energy: 1.2638059611065673
Energy: 1.2506997408711655
Energy: 1.3074752558049865
Energy: 1.5645780622919243
Energy: 1.3074752558003842
Energy: 1.2540810226752936
Energy: 1.3255509398719998
Energy: 1.5698354983049936
Energy: 1.3255509398696987
Energy: 1.4809184111968265
Energy: 1.2588777911766966
Energy: 1.5292314403613938
Energy: 1.2588777911766966
Energy: 1.6392029378839688
Energy: 1.2501235641241666
Energy: 1.522417694876832
Energy: 1.2501235641276183
Energy: 1.6415302201724047
Energy: 1.321882412326222
Energy: 1.2500310146413218
Energy: 1.3218824123250714
Energy: 1.5758310584089121
Energy: 1.2638312295065062
Energy: 1.2371559810304376
Energy: 1.2638312295088072
Energy: 1.556329222316067
Energy: 1.285689698855019
Energy: 1.196868322148096
Energy: 1.2856896988527178
Energy: 1.3911784605829145
Energy: 1.3273854176412496
Energy: 1.198646701658718
Energy: 1.3273854176447015
Energy: 1.5718016137237207
Energy: 1.2904568349804395
Energy: 1.460328235764502
Energy: 1.2904568349781385
Energy: 1.53560073837608
Energy: 1.3259603352414435
Energy: 1.6249199651910495
Energy: 1.3259603352460458
Energy: 1.2804613258570972
Energy: 1.305298844582477
Energy: 1.6391124558531638
Energy: 1.305298844582477
Energy: 1.3245118276322758
Energy: 1.3208874840224907
Energy: 1.629175371135503
Energy: 1.3208874840190392
Energy: 1.2317018926921954
Energy: 1.2494663311118979
Energy: 1.4167508367529011
Energy: 1.249466331114199
Energy: 1.1858823016850635
Energy: 1.2115580005393902
Energy: 1.4103450433962694
Energy: 1.2115580005347881
Energy: 1.2860608472511272
Energy: 1.291641759810757
Energy: 1.4129667414458835
Energy: 1.2916417598119074
Energy: 1.4737006784277855
Energy: 1.2857590899410112
Energy: 1.5220005489389217
Energy: 1.2857590899410112
Energy: 1.6353097699000039
Energy: 1.4097045588945674
Energy: 1.4440877931432563
Energy: 1.4097045589003203

minimum gb energy = 1.183808357478321 eV
minimum distance =  2.23399340879177 Angstroms
sigma value = 73


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

Energy: 1.7243264374084863
Energy: 1.3751265177951189
Energy: 1.3754025381566533
Energy: 1.3136314261446431
Energy: 1.4965869135315377
Energy: 1.3472975071193931
Energy: 1.4046093188245252
Energy: 1.3472975071163023
Energy: 1.312097767072773
Energy: 1.2730272631089734
Energy: 1.3439270264635046
Energy: 1.2730272631064012
Energy: 1.314170441640671
Energy: 1.2729497260873557
Energy: 1.313065643251161
Energy: 1.272949726087895
Energy: 1.3154808004056873
Energy: 1.2755593036144424
Energy: 1.3471446539160967
Energy: 1.2755593036142765
Energy: 1.403397110494761
Energy: 1.3510851317206476
Energy: 1.4967670754196687
Energy: 1.3510851317206476
Energy: 1.4065209789387005
Energy: 1.405169246936025
Energy: 1.598633808789964
Energy: 1.405169246936025
Energy: 1.5788377756423517
Energy: 1.3270733386153442
Energy: 1.6609728745589203
Energy: 1.3270733386073161
Energy: 1.527240076435959
Energy: 1.2856638907546034
Energy: 1.4131784417749136
Energy: 1.2856638907542297
Energy: 1.3442589123994526
Energy: 1.3433629762242947
Energy: 1.2465975232029858
Energy: 1.343362976224108
Energy: 1.5276835785207128
Energy: 1.2945029590632244
Energy: 1.2001240382745535
Energy: 1.2945029590645105
Energy: 1.5504482844547078
Energy: 1.3633645659974798
Energy: 1.2705943604539478
Energy: 1.3633645659980191
Energy: 1.493942236131277
Energy: 1.2549843984592948
Energy: 1.2553610972636693
Energy: 1.2549843984572828
Energy: 1.4935978279164646
Energy: 1.3505987380010265
Energy: 1.5555634693944471
Energy: 1.3505987380001345
Energy: 1.591081316373636
Energy: 1.3319048944094434
Energy: 1.5876950186710705
Energy: 1.3319048944074516
Energy: 1.550068935800826
Energy: 1.3520709609454258
Energy: 1.6503782963002929
Energy: 1.3520709609457784
Energy: 1.255114641326628
Energy: 1.3064638947572342
Energy: 1.6470184758617836
Energy: 1.3064638947583338
Energy: 1.2716319550803235
Energy: 1.325225032163875
Energy: 1.6165888490100009
Energy: 1.3252250321642276
Energy: 1.2004946150890368
Energy: 1.2032197523008812
Energy: 1.5278953498270238
Energy: 1.203219752304532
Energy: 1.2462407601124181
Energy: 1.3442367013224727
Energy: 1.5100481675758954
Energy: 1.3442367013239453
Energy: 1.3862531209141047
Energy: 1.2950278103319404
Energy: 1.5245621875714552
Energy: 1.2950278103326665
Energy: 1.6374059760190869
Energy: 1.3342187413138913
Energy: 1.5698923764343284
Energy: 1.3342187413146176

minimum gb energy = 1.2001240382745535 eV
minimum distance =  2.26584616033578 Angstroms
sigma value = 7


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

Energy: 2.3464135852673116
Energy: 1.408339275190344
Energy: 1.3993134559528735
Energy: 1.2836640468989473
Energy: 1.5916328879767785
Energy: 1.2913501531046712
Energy: 1.3950206499153202
Energy: 1.291350153105962
Energy: 1.443745488545787
Energy: 1.2758965023891327
Energy: 1.4044552279908953
Energy: 1.2758965023930051
Energy: 1.3532340189496965
Energy: 1.278669699902398
Energy: 1.308444883339021
Energy: 1.2786696999088523
Energy: 1.3585796924972757
Energy: 1.278516717671638
Energy: 1.357980160254227
Energy: 1.2785167176742198
Energy: 1.3633196977014954
Energy: 1.32108099158356
Energy: 1.579904138809427
Energy: 1.3210809915848507
Energy: 1.366790786898866
Energy: 1.3940890611135617
Energy: 1.6070987846059597
Energy: 1.3940890611148524
Energy: 1.5997410042386495
Energy: 1.297652156141318
Energy: 1.6035473955302582
Energy: 1.2976521561438996
Energy: 1.5636801512145038
Energy: 1.3058307864177863
Energy: 1.4567056751014271
Energy: 1.305830786419077
Energy: 1.4068732992919677
Energy: 1.302734757869264
Energy: 1.2284186989022243
Energy: 1.3027347578666824
Energy: 1.6190641875132126
Energy: 1.3194285036278954
Energy: 1.2200969278216096
Energy: 1.3194285036291864
Energy: 1.4949787403537038
Energy: 1.3081848368952225
Energy: 1.3208466794736566
Energy: 1.3081848368952225
Energy: 1.6166886472877078
Energy: 1.2243348255539568
Energy: 1.2826457004702458
Energy: 1.2243348255513753
Energy: 1.6134516514917665
Energy: 1.3038506932683938
Energy: 1.4489344029013687
Energy: 1.303850693267103
Energy: 1.6291768066022632
Energy: 1.3228239215711548
Energy: 1.4801903648118946
Energy: 1.3228239215698638
Energy: 1.6256830985331123
Energy: 1.2967458360925552
Energy: 1.8056937536766513
Energy: 1.296745867048527
Energy: 1.4450230246030034
Energy: 1.2943960723610508
Energy: 1.8112023243977065
Energy: 1.29439607235976
Energy: 1.4032385116493267
Energy: 1.2917203579493375
Energy: 1.4436068861066729
Energy: 1.2917203579467558
Energy: 1.3083514495888642
Energy: 1.2766712092845796
Energy: 1.3563176563454438
Energy: 1.2766712092832888
Energy: 1.3583298292860941
Energy: 1.2766004475602204
Energy: 1.306411520454819
Energy: 1.2766004475602204
Energy: 1.456868935833809
Energy: 1.320429700796341
Energy: 1.320507024537033
Energy: 1.3204297007924686
Energy: 1.6073424327082748
Energy: 1.3694036777406173
Energy: 1.366676229565781
Energy: 1.369403677627058
Energy: 1.6006004952451458
Energy: 1.4460574235089665
Energy: 1.5501468579958404
Energy: 1.4460574235076755
Energy: 1.4570724790420504
Energy: 1.3193587546916845
Energy: 1.602661369610108
Energy: 1.3193587546942662
Energy: 1.4013788537045173
Energy: 1.302574799886994
Energy: 1.3903137655427305
Energy: 1.3025747998857033
Energy: 1.2227632941361344
Energy: 1.223426789748034
Energy: 1.3845439527658714
Energy: 1.223426789748034
Energy: 1.3227288533044779
Energy: 1.3796791416515823
Energy: 1.5561378471090144
Energy: 1.3796791416515823
Energy: 1.2217440573167409
Energy: 1.225148656608026
Energy: 1.6543625923173675
Energy: 1.2251486566093168
Energy: 1.284363849267027
Energy: 1.3026001177053383
Energy: 1.6249498731355705
Energy: 1.3026001177053383
Energy: 1.5140108999140822
Energy: 1.321131596767447
Energy: 1.5937892925648018
Energy: 1.3211315967661563
Energy: 1.8087559603720282
Energy: 1.2949672100428145
Energy: 1.6252277095594176
Energy: 1.2949672100415237

minimum gb energy = 1.2200969278216096 eV
minimum distance =  2.25995042939377 Angstroms
sigma value = 29


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

Energy: 1.632140209797646
Energy: 1.4903101160582586
Energy: 1.5759813445029396
Energy: 1.2735482787647159
Energy: 1.3089148142201934
Energy: 1.2367293861875868
Energy: 1.4087780278258846
Energy: 1.236729386519778
Energy: 1.3958619009648083
Energy: 1.238128620279912
Energy: 1.2993699170184982
Energy: 1.2381286202790125
Energy: 1.305261253999135
Energy: 1.2388270718105938
Energy: 1.1269464975702193
Energy: 1.2388270718105938
Energy: 1.304423198977091
Energy: 1.2449785969514786
Energy: 1.2981772012676056
Energy: 1.2449785969510287
Energy: 1.303868927694936
Energy: 1.2458600523265917
Energy: 1.36405761800809
Energy: 1.2458600523283399
Energy: 1.4105132910839386
Energy: 1.4071128217908733
Energy: 1.282096857311571
Energy: 1.4071128217895494
Energy: 1.4703590453019042
Energy: 1.2367159895056954
Energy: 1.3654700177250978
Energy: 1.2367159895012991
Energy: 1.4322959637833839
Energy: 1.2731449591067607
Energy: 1.4532559446838054
Energy: 1.2731449591067607

minimum gb energy = 1.1269464975702193 eV
minimum distance =  2.25403936904972 Angstroms
sigma value = 5


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

Energy: 1.7134999204078325
Energy: 1.75161091621705
Energy: 1.5931330947508062
Energy: 1.583763657383148
Energy: 1.2318593173950225
Energy: 1.2664755090460802
Energy: 1.5256393510650592
Energy: 1.2664755090107205
Energy: 1.211571189699566
Energy: 1.212313548203726
Energy: 1.5121010931503582
Energy: 1.2123135482073841
Energy: 1.2025463391921063
Energy: 1.266626220694147
Energy: 1.4544335326404152
Energy: 1.2666262206417724
Energy: 1.2168817944810155
Energy: 1.222008502266467
Energy: 1.466585519991437
Energy: 1.2220085022603704
Energy: 1.2261625501800606
Energy: 1.2511991965942129
Energy: 1.4232857499219245
Energy: 1.2511991965942129
Energy: 1.2183784668832454
Energy: 1.2993673754019786
Energy: 1.380967088066482
Energy: 1.2993673754044173
Energy: 1.2223419827176258
Energy: 1.2468351119316372
Energy: 1.3745459427926079
Energy: 1.2468351119279795
Energy: 1.5497115269709747
Energy: 1.2459882487075418
Energy: 1.41584808998442
Energy: 1.2459882487038838
Energy: 1.5051481730287477
Energy: 1.4458561168438098
Energy: 1.506293225105584
Energy: 1.4458561168913626
Energy: 1.48003581667958
Energy: 1.269685920155589
Energy: 1.5765463686462307
Energy: 1.2696859201616855
Energy: 1.4393130192662584
Energy: 1.246959828669955
Energy: 1.5749200298253376
Energy: 1.2469598286675163
Energy: 1.3841636259950814
Energy: 1.3523130419565519
Energy: 1.578970177531273
Energy: 1.3523130419528941
Energy: 1.4135395276002247
Energy: 1.3394581523596296
Energy: 1.2209151354747587
Energy: 1.3394581523584106
Energy: 1.3822424649639458
Energy: 1.3025072287800963
Energy: 1.2199694834721093
Energy: 1.3025072287776578
Energy: 1.3857583801331848
Energy: 1.2471001482499977
Energy: 1.221560608544991
Energy: 1.2471001482463397
Energy: 1.4256221703098304
Energy: 1.2510419164960098
Energy: 1.2684559896547063
Energy: 1.2510419164960098
Energy: 1.5123968875999647
Energy: 1.2123143269703351
Energy: 1.2154003865275944
Energy: 1.2123143269691157
Energy: 1.5155553272810487
Energy: 1.3483052951243069
Energy: 1.202135174890058
Energy: 1.3483052951230876
Energy: 1.531416421697986
Energy: 1.216321238858547
Energy: 1.2035235090263785
Energy: 1.2163212388816582
Energy: 1.5388878762476395
Energy: 1.2743230886988957
Energy: 1.6380148315500116
Energy: 1.2743230886988957
Energy: 1.6844498594932615
Energy: 1.4387574005918837
Energy: 1.6407895223519682
Energy: 1.4387574005991997
Energy: 1.607394366391111
Energy: 1.2340423005310122
Energy: 1.2038144118023442
Energy: 1.2340423005395473
Energy: 1.5797168443271912
Energy: 1.2508670170534764
Energy: 1.3003314082507378
Energy: 1.2508670170522571
Energy: 1.576004491147585
Energy: 1.2148642378456285
Energy: 1.2480314954206873
Energy: 1.2148642378444092
Energy: 1.3543312663857747
Energy: 1.2768094028937196
Energy: 1.324393203017205
Energy: 1.276809402887623
Energy: 1.2694679087674012
Energy: 1.2704272997548656
Energy: 1.2750319732277275
Energy: 1.2704272997499886
Energy: 1.2748557008376495
Energy: 1.2681942814354754
Energy: 1.2710954343572627
Energy: 1.2681942814305982
Energy: 1.3046150176066782
Energy: 1.297520713430242
Energy: 1.355034121057845
Energy: 1.2975207134314615
Energy: 1.2662627890316303
Energy: 1.2489494091321123
Energy: 1.5061370311159068
Energy: 1.2489494091296736
Energy: 1.3021562994716938
Energy: 1.2526983934114808
Energy: 1.5089256234361113
Energy: 1.252698393409042
Energy: 1.2330409779488043
Energy: 1.2338172245267032
Energy: 1.6012864056409652
Energy: 1.2338172244804255
Energy: 1.7055088817963273
Energy: 1.537801002049436
Energy: 1.5969000421494621
Energy: 1.5378010020469974

minimum gb energy = 1.202135174890058 eV
minimum distance =  2.22693700968324 Angstroms
sigma value = 1


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

Energy: 1.936587338628023
Energy: 1.5140662526066775
Energy: 1.4300317821753576
Energy: 1.3257520568359866
Energy: 1.1872727132078404
Energy: 1.1942975381636702
Energy: 1.189626802801485
Energy: 1.1942975381636702
Energy: 1.1877806299979512
Energy: 1.192571678412313
Energy: 1.3937430276714655
Energy: 1.1925716784139606
Energy: 1.1899989104409276
Energy: 1.1994063399504171
Energy: 1.1955915123518437
Energy: 1.1994063399521029
Energy: 1.191956794436971
Energy: 1.2142517760629155
Energy: 1.3480550925495027
Energy: 1.2142517760646012
Energy: 1.1910846050332786
Energy: 1.2153733278791385
Energy: 1.3500701159657025
Energy: 1.2153733278774528
Energy: 1.182296947324138
Energy: 1.2756812674602567
Energy: 1.3953945989407295
Energy: 1.2756812674602567
Energy: 1.188522481648223
Energy: 1.1917097737530127
Energy: 1.3918588577575506
Energy: 1.1917097737546987
Energy: 1.187682412153654
Energy: 1.3169427891679875
Energy: 1.3716181700215684
Energy: 1.3169427891679875
Energy: 1.3822803127064904
Energy: 1.3640234859123703
Energy: 1.187265635591048
Energy: 1.3640234880373108
Energy: 1.187234085115777
Energy: 1.2549851703141128
Energy: 1.403054779665035
Energy: 1.2549851703039976
Energy: 1.1874505848118546
Energy: 1.192206459856878
Energy: 1.5682318629690069
Energy: 1.192206459878756
Energy: 1.1759788442302348
Energy: 1.2000135324110641
Energy: 1.56811705878137
Energy: 1.2000135324110641
Energy: 1.1906156320232824
Energy: 1.2646439366946152
Energy: 1.1871674704307835
Energy: 1.2646439366963012
Energy: 1.195498313562484
Energy: 1.2051947145651682
Energy: 1.187342624809485
Energy: 1.2051947145651682
Energy: 1.1948175428111782
Energy: 1.191409835647054
Energy: 1.1779808646167311
Energy: 1.191409835645368
Energy: 1.2458199309597613
Energy: 1.2086325558635984
Energy: 1.19422355773254
Energy: 1.2086325558635984
Energy: 1.3915134573182113
Energy: 1.1904087297069785
Energy: 1.1769447426819968
Energy: 1.1904087297086643
Energy: 1.3984390073701982
Energy: 1.2772809478543092
Energy: 1.1857041619869189
Energy: 1.277280947852623
Energy: 1.3828036455448507
Energy: 1.1917745577416572
Energy: 1.1881281834071322
Energy: 1.1917745577416572
Energy: 1.3623458930551844
Energy: 1.1928779005159889
Energy: 1.3793486189586146
Energy: 1.192877900514303
Energy: 1.3982623099981943
Energy: 1.1921444403817956
Energy: 1.3806000148057604
Energy: 1.1921444403784238
Energy: 1.416227318242431
Energy: 1.2643380368644705
Energy: 1.18790340854335
Energy: 1.2643380368661563
Energy: 1.5697507481556627
Energy: 1.2073357353155039
Energy: 1.1864494182120258
Energy: 1.2073357353171899

minimum gb energy = 1.1759788442302348 eV
minimum distance =  2.25445280625389 Angstroms
sigma value = 17


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

Energy: 1.8072704433780025
Energy: 1.6904245951581476
Energy: 1.7333201061378452
Energy: 1.5617566282372473
Energy: 1.1807998801040847
Energy: 1.2139019227402434
Energy: 1.4730091868221276
Energy: 1.2139019227350334
Energy: 1.1828158265768471
Energy: 1.1786792134849484
Energy: 1.4842091702877018
Energy: 1.1786792134859905
Energy: 1.1740096564762479
Energy: 1.1782181343074847
Energy: 1.4877458413888094
Energy: 1.1782181343074847
Energy: 1.1766417496017059
Energy: 1.2477454299205715
Energy: 1.3041528549150807
Energy: 1.2477454296456227
Energy: 1.2349382373642661
Energy: 1.2205197377819306
Energy: 1.2662502122140022
Energy: 1.2205197377829728
Energy: 1.2464429433873954
Energy: 1.2215776720299631
Energy: 1.2364445840849279
Energy: 1.2215776720268372
Energy: 1.2673618494522063
Energy: 1.2238757347075364
Energy: 1.2326615499644586
Energy: 1.2238757347075364
Energy: 1.47334034149847
Energy: 1.1776579186833693
Energy: 1.1792926677805502
Energy: 1.1776579186854061
Energy: 1.4270036110390705
Energy: 1.1792890519313424
Energy: 1.180295483982841
Energy: 1.1792890519323844
Energy: 1.541758446075395
Energy: 1.1792539995551297
Energy: 1.1786113023457176
Energy: 1.1792539995592977
Energy: 1.4866756352389705
Energy: 1.2149968007040015
Energy: 1.5329826070199017
Energy: 1.2149968007040015
Energy: 1.6788034195088977
Energy: 1.2130808105902373
Energy: 1.525165451788421
Energy: 1.2130808105871111
Energy: 1.3828761636990838
Energy: 1.2996503095276675
Energy: 1.1772736272717266
Energy: 1.2996503095307936
Energy: 1.4779738005883607
Energy: 1.178287788264667
Energy: 1.3179156936120398
Energy: 1.1782877882719611
Energy: 1.6126974395406435
Energy: 1.1768022722165041
Energy: 1.2644881510309744
Energy: 1.1768022722154619
Energy: 1.209032368130658
Energy: 1.2140511659370643
Energy: 1.3529436131999084
Energy: 1.2140511659381064
Energy: 1.2131555590199672
Energy: 1.2428123173615053
Energy: 1.3219604880969131
Energy: 1.2428123173625476
Energy: 1.2061837462735427
Energy: 1.212888297410893
Energy: 1.3120371901778904
Energy: 1.2128882974067252
Energy: 1.2484670641859692
Energy: 1.2933762551512267
Energy: 1.445439152473437
Energy: 1.2933762551522687
Energy: 1.185947163329614
Energy: 1.1959891606599065
Energy: 1.42555525046219
Energy: 1.1959891606578223
Energy: 1.1905835342315663
Energy: 1.1967732958792197
Energy: 1.4247051039401344
Energy: 1.1967732958792197
Energy: 1.1957098061240383
Energy: 1.3124128116329696
Energy: 1.3293588066886264
Energy: 1.3124128116360956
Energy: 1.5374886046930263
Energy: 1.3849894175343422
Energy: 1.3993305592317864
Energy: 1.3849894175343422
Energy: 1.5311198029373656
Energy: 1.1972227736214467
Energy: 1.4680839044887228
Energy: 1.1972227736204049
Energy: 1.4648955024445944
Energy: 1.2036073979615305
Energy: 1.3237242476728401
Energy: 1.2036073979594464
Energy: 1.4985094932512615
Energy: 1.4791692525318687
Energy: 1.6037035116506124
Energy: 1.4791692525287425
Energy: 1.3908541906313885
Energy: 1.1986853161906164
Energy: 1.201619163573498
Energy: 1.1986853161947844
Energy: 1.4240200263483718
Energy: 1.1971022418368225
Energy: 1.1937986970478296
Energy: 1.1971022418357804
Energy: 1.3788129673558287
Energy: 1.1987295069249095
Energy: 1.1897126206984678
Energy: 1.1987295069259514
Energy: 1.4212240527293576
Energy: 1.1983189308594902
Energy: 1.1896208220776667
Energy: 1.1983189308605324
Energy: 1.3567172659682303
Energy: 1.2181305450527684
Energy: 1.1998421906025494
Energy: 1.2181305450590203
Energy: 1.3174087010622275
Energy: 1.2173509251358918
Energy: 1.2086887863896973
Energy: 1.217350925132766
Energy: 1.3100702929400063
Energy: 1.2134198073284317
Energy: 1.2023355946989678
Energy: 1.2134198073221796
Energy: 1.2636971219599151
Energy: 1.1820888605942668
Energy: 1.206255581907838
Energy: 1.1820888605942668
Energy: 1.281883809152459
Energy: 1.2826453483202909
Energy: 1.5417706931297164
Energy: 1.282645348321333
Energy: 1.3115157071270045
Energy: 1.1805870439867923
Energy: 1.5021279584278864
Energy: 1.1805870439888764
Energy: 1.4499969628148373
Energy: 1.216851731540359
Energy: 1.5275752679880148
Energy: 1.2168517315372331

minimum gb energy = 1.1740096564762479 eV
minimum distance =  2.23586295701608 Angstroms
sigma value = 89


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

Energy: 2.0881242120330814
Energy: 1.370260579676402
Energy: 1.3819155444649174
Energy: 1.1332476360479844
Energy: 1.1435706940037769
Energy: 1.1480281646732908
Energy: 1.140021945301312
Energy: 1.1480281646732908
Energy: 1.1423088376275257
Energy: 1.1464397463419664
Energy: 1.2492334121731272
Energy: 1.146439746342245
Energy: 1.1378569766940108
Energy: 1.146790931617479
Energy: 1.2499319897502492
Energy: 1.1467909316150313
Energy: 1.1366778111389715
Energy: 1.1708159269136378
Energy: 1.2672489582349866
Energy: 1.1708159269136378
Energy: 1.1974410218138725
Energy: 1.1552332715638531
Energy: 1.2559562627140988
Energy: 1.1552332715641322
Energy: 1.2039177848907194
Energy: 1.1538732289880929
Energy: 1.1991816590594464
Energy: 1.1538732289888982
Energy: 1.2605168256623032
Energy: 1.1574701965076593
Energy: 1.1972979024467778
Energy: 1.1574701965076593
Energy: 1.237011474486932
Energy: 1.1474089568744898
Energy: 1.133393054476356
Energy: 1.1474089568742112
Energy: 1.431386404503171
Energy: 1.1471035983644604
Energy: 1.1352075416598726
Energy: 1.1471035983652969
Energy: 1.2337648856057488
Energy: 1.1487172801728778
Energy: 1.1437170487302362
Energy: 1.148717280172351
Energy: 1.4032575994382979
Energy: 1.1464195416271867
Energy: 1.408980497145209
Energy: 1.1464195416252967
Energy: 1.4242628846760956
Energy: 1.148323644689488
Energy: 1.408618811235401
Energy: 1.1483236446900456
Energy: 1.1427380834329512
Energy: 1.2388493252467059
Energy: 1.1420118507358659
Energy: 1.2388493252472634
Energy: 1.5764201740321948
Energy: 1.1466864722594667
Energy: 1.1421081924623797
Energy: 1.1466864722589398

minimum gb energy = 1.1332476360479844 eV
minimum distance =  2.25374632120794 Angstroms
sigma value = 13


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

Energy: 1.3185708211081233
Energy: 1.4109081422344676
Energy: 1.372775983770912
Energy: 1.2063944133163065
Energy: 1.109615273590281
Energy: 1.1142935901545117
Energy: 1.1093881915548203
Energy: 1.114293590153369
Energy: 1.1105159984298718
Energy: 1.1125615209437296
Energy: 1.2892751656982697
Energy: 1.1125615209483004
Energy: 1.1050654478358428
Energy: 1.111294232667434
Energy: 1.2845261130448622
Energy: 1.111294232667434
Energy: 1.1111597537872784
Energy: 1.1319650893836575
Energy: 1.1894659657450144
Energy: 1.1319650959835545
Energy: 1.221088241405331
Energy: 1.0966664236152226
Energy: 1.1412896442954512
Energy: 1.0966664236163655
Energy: 1.219440634266247
Energy: 1.0953941504186728
Energy: 1.1274212633184868
Energy: 1.0953941504198155
Energy: 1.2619488208508125
Energy: 1.0980906184741976
Energy: 1.1313398948075426
Energy: 1.0980906185061947
Energy: 1.2171593523243993
Energy: 1.0981912658669142
Energy: 1.1303054649979565
Energy: 1.0981912658691997
Energy: 1.2220750321158198
Energy: 1.0982252055886697
Energy: 1.1249732421526732
Energy: 1.0982252055898123
Energy: 1.2032951806510923
Energy: 1.101785020084531
Energy: 1.192034071371839
Energy: 1.101785020084531
Energy: 1.1089711899079813
Energy: 1.1110676741421028
Energy: 1.2159672145167741
Energy: 1.1110676741421028
Energy: 1.118671112844499
Energy: 1.1121369120880986
Energy: 1.215472883678445
Energy: 1.1121369120869558
Energy: 1.1088132163980886
Energy: 1.115580969909047
Energy: 1.21805122602384
Energy: 1.115580969904476
Energy: 1.42419297371495
Energy: 1.1198509513070616
Energy: 1.1078052277777668
Energy: 1.1198509513116328
Energy: 1.4205806358140962
Energy: 1.1113974652909346
Energy: 1.1089743791414628
Energy: 1.1113974652920773
Energy: 1.1078728129888074
Energy: 1.1167415683309234
Energy: 1.1098590565068849
Energy: 1.1167415683320663
Energy: 1.1124482263156292
Energy: 1.1118097261260917
Energy: 1.2875586647165487
Energy: 1.111809726124949
Energy: 1.1092813603479603
Energy: 1.1125387880912707
Energy: 1.102520091804834
Energy: 1.1125387880958417
Energy: 1.2175543060528085
Energy: 1.1146745864251295
Energy: 1.1131471622883125
Energy: 1.1146745864262724
Energy: 1.2875105756805423
Energy: 1.160445769337303
Energy: 1.1070339306446346
Energy: 1.1604457693395884
Energy: 1.1893767483905309
Energy: 1.2092935846041262
Energy: 1.1125004043294409
Energy: 1.2092935846155537
Energy: 1.1907976004517997
Energy: 1.097493743142355
Energy: 1.2170561175454655
Energy: 1.0974937431412122
Energy: 1.1296958336447254
Energy: 1.0968197275218894
Energy: 1.156818932035409
Energy: 1.0968197275218894
Energy: 1.128952949346627
Energy: 1.1026837745736584
Energy: 1.2111124030070524
Energy: 1.1026837745702303
Energy: 1.1278259553619059
Energy: 1.102457110725581
Energy: 1.2629129110080313
Energy: 1.1024571107267236
Energy: 1.1264641620139104
Energy: 1.0993453666219994
Energy: 1.2185638955094407
Energy: 1.0993453666219994
Energy: 1.1909012874911638
Energy: 1.1004502956951914
Energy: 1.2160123401579574
Energy: 1.1004502956963342
Energy: 1.1895900390958118
Energy: 1.112512780665012
Energy: 1.1099782789578327
Energy: 1.1125127806764394
Energy: 1.215878404004613
Energy: 1.1121727878987158
Energy: 1.1113278513209113
Energy: 1.1121727878987158
Energy: 1.2148571751474067
Energy: 1.1162805199853454
Energy: 1.1117728460927916
Energy: 1.1162805199579195
Energy: 1.1117342581631957
Energy: 1.111465639229541
Energy: 1.2123539134188253
Energy: 1.1114656390753215
Energy: 1.1086359516774242
Energy: 1.1197653755721924
Energy: 1.4222473895436116
Energy: 1.1197653755676216
Energy: 1.1102254227183899
Energy: 1.1212319750118254
Energy: 1.1093750496680934
Energy: 1.1212319749478834
Energy: 1.5741449028111678
Energy: 1.1111774704631048
Energy: 1.1076204411669168
Energy: 1.111177470460819

minimum gb energy = 1.0953941504186728 eV
minimum distance =  2.26117212819562 Angstroms
sigma value = 37


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

Energy: 1.3389627732696798
Energy: 1.3437134414016163
Energy: 1.3058480762728448
Energy: 1.1435346412265945
Energy: 1.0646560681769441
Energy: 1.0711141216691757
Energy: 1.0659237737287997
Energy: 1.0711141216689746
Energy: 1.0649797773708447
Energy: 1.0728869860797203
Energy: 1.2833147973490089
Energy: 1.0728869860777541
Energy: 1.0631470414049642
Energy: 1.0717780507570618
Energy: 1.2834415327331983
Energy: 1.071778050757263
Energy: 1.1849946010648442
Energy: 1.0882188967099182
Energy: 1.1244382646056992
Energy: 1.0882188966963793
Energy: 1.1426050784629846
Energy: 1.041243609887867
Energy: 1.0720682977923934
Energy: 1.0412436098880682
Energy: 1.1434767380027169
Energy: 1.0405816729996138
Energy: 1.0685996187803386
Energy: 1.040581672998631
Energy: 1.1899901281773755
Energy: 1.029631534772279
Energy: 1.0756994616073812
Energy: 1.0296315347744462
Energy: 1.115713854437205
Energy: 1.020817040894661
Energy: 1.1136879234329198
Energy: 1.02081704089446
Energy: 1.1145782229737182
Energy: 1.020008761406975
Energy: 1.116316529774733
Energy: 1.020008761405992
Energy: 1.1689594882502143
Energy: 1.1154862312943417
Energy: 1.1895570997397054
Energy: 1.115486231298274
Energy: 1.0756436757319765
Energy: 1.0406389997445673
Energy: 1.2183990553163246
Energy: 1.0406389997422214
Energy: 1.0717610501694979
Energy: 1.040936187133737
Energy: 1.2171560428572554
Energy: 1.0409361871341392
Energy: 1.124733485906663
Energy: 1.0598490079505964
Energy: 1.1843818742940788
Energy: 1.059849007940967
Energy: 1.211147291182774
Energy: 1.0710278694940758
Energy: 1.0642490806527944
Energy: 1.07102786949526
Energy: 1.1998117091616594
Energy: 1.0717078004030498
Energy: 1.0657372801179126
Energy: 1.0717078004016647
Energy: 1.1980625288725884
Energy: 1.0870999420553884
Energy: 1.0650820970587196
Energy: 1.0870999420579575
Energy: 1.0655412533648978
Energy: 1.080204807984826
Energy: 1.1912292997976155
Energy: 1.0802048079832622
Energy: 1.065346850086332
Energy: 1.072635599141589
Energy: 1.1915534856296688
Energy: 1.07263559914179
Energy: 1.0512188232346211
Energy: 1.0721275783708297
Energy: 1.065631652598057
Energy: 1.0721275783710307

minimum gb energy = 1.020008761405992 eV
minimum distance =  2.25587758685228 Angstroms
sigma value = 25


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

Energy: 1.3225727101900857
Energy: 1.2101766220735917
Energy: 1.1851624724286576
Energy: 1.0523074151664982
Energy: 0.993317013513662
Energy: 0.9923565062433737
Energy: 1.0307297846490917
Energy: 0.992356506186605
Energy: 0.992707971697146
Energy: 0.9992101341445051
Energy: 1.1509815041365885
Energy: 0.9992101341445051
Energy: 0.9918230892862835
Energy: 0.9985241477631925
Energy: 1.1392237207987492
Energy: 0.9985241477631925
Energy: 1.0303460373745204
Energy: 0.9850995978154079
Energy: 1.0311004983133327
Energy: 0.9850994860937552
Energy: 1.1419457556454744
Energy: 0.9635326087857504
Energy: 0.9832076285071537
Energy: 0.9635326087857504
Energy: 1.1415225059825183
Energy: 0.9637859579487605
Energy: 0.9830914037757186
Energy: 0.9637859579487605
Energy: 1.069674464874022
Energy: 1.0526250890416038
Energy: 1.0843434365257183
Energy: 1.0526250890385334
Energy: 1.0016532673388685
Energy: 0.9305312625037673
Energy: 1.1064388610152167
Energy: 0.9305312625037673
Energy: 1.008283726125462
Energy: 0.9292367940697108
Energy: 1.1065744347189728
Energy: 0.9292367940712462
Energy: 1.0410839971751051
Energy: 1.0746848249796912
Energy: 1.0750711815510159
Energy: 1.0746848293669748
Energy: 1.044857102364494
Energy: 0.9188362445340805
Energy: 1.0463117042618466
Energy: 0.9188362445356156
Energy: 1.057075094516978
Energy: 0.9215832414978412
Energy: 1.0428525938009667
Energy: 0.9215832414947708
Energy: 1.0751414905492434
Energy: 0.9718310056830255
Energy: 1.0225106021179287
Energy: 0.9718310056768846
Energy: 1.106381959636382
Energy: 0.9297966653585708
Energy: 1.001272925248055
Energy: 0.9297966653570355
Energy: 1.1066591429882153
Energy: 0.9290114171483326
Energy: 1.0016613403110866
Energy: 0.9290114171467975
Energy: 0.989500690360985
Energy: 0.9713092132676409
Energy: 1.0694339109943845
Energy: 0.9713092132661056
Energy: 0.9824864842936444
Energy: 0.9637578035832152
Energy: 1.1057853273308897
Energy: 0.9637578035847505
Energy: 0.9832794310082124
Energy: 0.9645269151544621
Energy: 1.1903255740955831
Energy: 0.9645269151513917
Energy: 1.0306327727367304
Energy: 0.9949141426101769
Energy: 1.1091513988474957
Energy: 0.9949141426117121
Energy: 1.1898201916697837
Energy: 1.0229323503444112
Energy: 0.9927909324213032
Energy: 1.0229323503444112
Energy: 1.0306526338371946
Energy: 0.9997919642901905
Energy: 0.9927042045689377
Energy: 0.9997919642901905
Energy: 1.0306902096563604
Energy: 0.9996485966113707
Energy: 1.026820161501154
Energy: 0.9996485966098354
Energy: 0.9954889078610282
Energy: 1.000189347271023
Energy: 1.1914261474950014
Energy: 1.0001893472541352
Energy: 0.9932677946475881
Energy: 0.9967343364070876
Energy: 0.9923419233261893
Energy: 0.9967343364255105
Energy: 1.2300932563812423
Energy: 0.9990266243096272
Energy: 0.9927186989546517
Energy: 0.9990266243111623

minimum gb energy = 0.9188362445340805 eV
minimum distance =  2.26579149655226 Angstroms
sigma value = 41


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

Energy: 1.2566182372104147
Energy: 1.1012245987237703
Energy: 1.0815850888920966
Energy: 0.9756996965495153
Energy: 0.931353764845374
Energy: 0.9227465667893667
Energy: 0.9122832898565363
Energy: 0.922746566791884
Energy: 0.9280550205253303
Energy: 0.9312853637612645
Energy: 0.9153064993487107
Energy: 0.9312853641298746
Energy: 0.9271935146653087
Energy: 0.9312303877689346
Energy: 0.9165878480655069
Energy: 0.9312303877701933
Energy: 0.9149469043838813
Energy: 0.9146893871031843
Energy: 0.9123601658719144
Energy: 0.9146893870453153
Energy: 0.9146596011184698
Energy: 0.901144258224416
Energy: 0.9126283064143528
Energy: 0.9011442582256748
Energy: 0.9187184839336094
Energy: 0.9005732495773306
Energy: 0.9133202073030668
Energy: 0.9005732495748133
Energy: 0.9474586661088943
Energy: 0.9402003711236226
Energy: 0.9411811087829536
Energy: 0.9402003711211054
Energy: 0.9204764048468855
Energy: 0.8668712249444357
Energy: 0.9551523449087748
Energy: 0.8668712249456944
Energy: 0.9268615408818814
Energy: 0.8656293203614248
Energy: 1.0586459007571947
Energy: 0.8656293203639419
Energy: 0.9539091367464759
Energy: 1.0275927560147031
Energy: 0.9918113933254794
Energy: 1.0275927560310658
Energy: 1.0310391326664452
Energy: 0.8475059355259016
Energy: 0.9413747432126602
Energy: 0.8475059355233843
Energy: 1.0049033766924171
Energy: 0.8501798286255632
Energy: 0.9470341349870984
Energy: 0.8501798286243046
Energy: 0.9925101369571493
Energy: 0.8433877164639513
Energy: 0.9783109656736562
Energy: 0.8433877164664686
Energy: 0.9828151822763084
Energy: 0.8409595483503868
Energy: 0.9801362473723509
Energy: 0.840959548345352
Energy: 0.9826353410583569
Energy: 0.8414443447474216
Energy: 0.9815221432078428
Energy: 0.8414443447511973
Energy: 0.9555606039779398
Energy: 0.8494260519500461
Energy: 0.9922227977411687
Energy: 0.8494260519450116
Energy: 0.9461091694887331
Energy: 0.8475326294569062
Energy: 1.0317908656776897
Energy: 0.8475326294569062
Energy: 0.960427257999364
Energy: 0.8486386353824342
Energy: 1.0314799949963511
Energy: 0.8486386353824342
Energy: 0.9878457094732512
Energy: 0.866561089130413
Energy: 0.9449419917905313
Energy: 0.8665610891291542
Energy: 0.9432822835946417
Energy: 0.866287297096842
Energy: 0.9178747265848554
Energy: 0.8662872970981007
Energy: 0.9361719674081519
Energy: 0.8657760723864383
Energy: 0.9476494368914002
Energy: 0.8657760723851795
Energy: 0.9225612600437221
Energy: 0.900770787597735
Energy: 0.9867858881519985
Energy: 0.9007707875989938
Energy: 0.9156338577666149
Energy: 0.9003917170688506
Energy: 0.935254102536228
Energy: 0.9003917170701092
Energy: 0.9144464651901199
Energy: 0.9024365924924734
Energy: 0.9132266840945825
Energy: 0.9024365925000253
Energy: 0.954661679414728
Energy: 0.931899657067184
Energy: 0.9285781100839062
Energy: 0.931899657067184
Energy: 0.9575934494644873
Energy: 0.9320772033906123
Energy: 0.9327071756077661
Energy: 0.9320772033893537
Energy: 0.9126794884792488
Energy: 1.0212760668781573
Energy: 0.9288830997621164
Energy: 1.0212760668794159
Energy: 0.9304820231852974
Energy: 0.9314963092414301
Energy: 0.9095128662982932
Energy: 0.9314963092074754
Energy: 0.9267595325805751
Energy: 0.9327983261998876
Energy: 0.9109719997999962
Energy: 0.9327983261973704
Energy: 0.92785560429482
Energy: 0.9244404719323602
Energy: 0.9284857722746211
Energy: 0.9244404718946296
Energy: 0.9059495978066991
Energy: 0.9312846978833919
Energy: 0.9305867191595428
Energy: 0.9312846978821333

minimum gb energy = 0.840959548345352 eV
minimum distance =  2.26515618316442 Angstroms
sigma value = 15


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

Energy: 1.0390271855015356
Energy: 1.0006028585985518
Energy: 1.0396591741734564
Energy: 0.8787361291265087
Energy: 0.8748416754789498
Energy: 0.8646750245172572
Energy: 0.8616462807859033
Energy: 0.8646750244831859
Energy: 0.8806597138700347
Energy: 0.8749817918051367
Energy: 0.8520406715070731
Energy: 0.8749817918040704
Energy: 0.8689516100702926
Energy: 0.8739596332635808
Energy: 0.8558613878967862
Energy: 0.8739596332603822
Energy: 0.8579081643396822
Energy: 0.8594533110869784
Energy: 0.8581708923690118
Energy: 0.8594533110976408
Energy: 0.8650254947376967
Energy: 0.8455042652093555
Energy: 0.8547548663065533
Energy: 0.8455042652104218
Energy: 0.8781076692414446
Energy: 0.846323727628568
Energy: 0.8604499284544955
Energy: 0.8463237276296341
Energy: 0.8832108028758145
Energy: 0.9039864684137027
Energy: 0.8751253222858814
Energy: 0.9039864674129339
Energy: 0.8583320326443472
Energy: 0.8151583270019266
Energy: 0.8605247202819544
Energy: 0.8151583269997942
Energy: 0.8634595980112169
Energy: 0.8142551631486796
Energy: 0.8867357067671677
Energy: 0.814255163150812
Energy: 0.8879898162847816
Energy: 0.8914439226640026
Energy: 0.9126701287156981
Energy: 0.8914439226608039
Energy: 0.9917372496061357
Energy: 0.7940975671844787
Energy: 0.8677731500463486
Energy: 0.7940975671887436
Energy: 0.9222525136030258
Energy: 0.7967596858335659
Energy: 0.8748723562944104
Energy: 0.7967596858346322
Energy: 0.9239714198185915
Energy: 0.782841282762788
Energy: 0.8940652061393138
Energy: 0.7828412827617217
Energy: 0.8950358644423515
Energy: 0.7838833159978442
Energy: 0.9675472825061817
Energy: 0.7838833159978442
Energy: 0.8983212514238292
Energy: 0.7857951180058516
Energy: 0.9215401391663162
Energy: 0.7857951180090502
Energy: 0.9317459654653819
Energy: 0.7882568226713942
Energy: 0.9217633934877534
Energy: 0.7882568226681956
Energy: 0.9352210485320595
Energy: 0.779550272851444
Energy: 0.92652871606406
Energy: 0.7795502728482451
Energy: 0.9223453379587448
Energy: 0.7874665348304183
Energy: 0.9313207091432729
Energy: 0.7874665348272194
Energy: 0.9220153421310954
Energy: 0.7878924523663583
Energy: 0.9022493421719759
Energy: 0.7878924523684907
Energy: 0.9676775914171654
Energy: 0.7843758265936699
Energy: 0.8959231648173263
Energy: 0.7843758265926036
Energy: 0.9653343049699734
Energy: 0.7831873253368127
Energy: 0.9223776639583047
Energy: 0.7831873253346803
Energy: 0.8839627621858164
Energy: 0.7950054562726169
Energy: 0.9184530348225007
Energy: 0.7950054562747494
Energy: 0.8679466871763547
Energy: 0.7939876550133355
Energy: 0.947536042090631
Energy: 0.7939876550165342
Energy: 0.9122022087590808
Energy: 0.9261758044301124
Energy: 0.8882009098062909
Energy: 0.926175804459919
Energy: 0.9136728113651926
Energy: 0.8155857131565274
Energy: 0.8600591268965442
Energy: 0.8155857131511961
Energy: 0.883844805229982
Energy: 0.8147465226951891
Energy: 0.8578304007723939
Energy: 0.8147465226941228
Energy: 0.8754040073288452
Energy: 0.9042349711211836
Energy: 0.884323071331354
Energy: 0.9042349721773486
Energy: 0.8548530891894773
Energy: 0.8465533220616807
Energy: 0.8705609606458509
Energy: 0.8465533220627469
Energy: 0.8621427310132737
Energy: 0.8454441404779026
Energy: 0.8590825202080011
Energy: 0.8454441404789689
Energy: 0.860492350223657
Energy: 0.8869726499402774
Energy: 0.9077216409370462
Energy: 0.8869726224337967
Energy: 0.8723377586259909
Energy: 0.8744526962173265
Energy: 0.8688485799732345
Energy: 0.874452696223724
Energy: 0.8750290810188739
Energy: 0.8737441173261263
Energy: 0.8787782719684367
Energy: 0.8737441173250601
Energy: 0.8585618321182089
Energy: 0.8635613224707882
Energy: 0.8720913703657993
Energy: 0.863561322478252
Energy: 0.9998429748387803
Energy: 0.86934063301897
Energy: 0.8759821971402563
Energy: 0.8693406330125726
Energy: 0.8693432599597624
Energy: 0.8759102310798694
Energy: 0.8556533039532681
Energy: 0.8759102310798694
Energy: 0.8536723874856321
Energy: 0.8757289587812911
Energy: 0.8747047489046116
Energy: 0.8757289588537956

minimum gb energy = 0.7795502728482451 eV
minimum distance =  2.26673857738932 Angstroms
sigma value = 85


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

Energy: 1.009205563336368
Energy: 0.899688579469806
Energy: 0.8866852828202709
Energy: 0.7883438207482901
Energy: 0.7682894741099252
Energy: 0.7668826238730351
Energy: 0.7645195266880644
Energy: 0.7668826238841321
Energy: 0.767977229331226
Energy: 0.7696082447904381
Energy: 0.8003401347546001
Energy: 0.7696082447904381
Energy: 0.7679192781428167
Energy: 0.7699701879177362
Energy: 0.7785668068516884
Energy: 0.769970187914962
Energy: 0.7948625398388348
Energy: 0.7961866391613829
Energy: 0.7641969202192799
Energy: 0.7961866390781969
Energy: 0.7525977413987622
Energy: 0.7530006655626575
Energy: 0.764864233234616
Energy: 0.7530006655654318
Energy: 0.7565154063747727
Energy: 0.7531213246033304
Energy: 0.7645044196315034
Energy: 0.7531213246042552
Energy: 0.7959904641336962
Energy: 0.7979999858637044
Energy: 0.7669462147396043
Energy: 0.7979999858627796
Energy: 0.7719431786395851
Energy: 0.733571925958981
Energy: 0.757063520321992
Energy: 0.733571925955282
Energy: 0.7724458133514899
Energy: 0.7330170577738364
Energy: 0.7570852181916486
Energy: 0.7330170577747611
Energy: 0.7751043660922305
Energy: 0.8296330881058145
Energy: 0.8266956225284284
Energy: 0.829633088115041
Energy: 0.8543131648541087
Energy: 0.7220145944023362
Energy: 0.7900477857348402
Energy: 0.7220145944004865
Energy: 0.8378252682098424
Energy: 0.7236043141468387
Energy: 0.8051648996001466
Energy: 0.7236043141449892
Energy: 0.8372788394651364
Energy: 0.7174257336363381
Energy: 0.8164619833526424
Energy: 0.7174257336363381
Energy: 0.8157919532033089
Energy: 0.716378354007148
Energy: 0.9202226664754227
Energy: 0.7163783540052985
Energy: 0.828039209754271
Energy: 0.7180678018908089
Energy: 0.8475990534989537
Energy: 0.7180678018926583
Energy: 0.9038260585095734
Energy: 0.7159052511759627
Energy: 0.8480009363135975
Energy: 0.7159052511759627
Energy: 0.9059988591046534
Energy: 0.7140628163744513
Energy: 0.843401811255889
Energy: 0.7140628163726018
Energy: 0.8523341770696992
Energy: 0.714781630164069
Energy: 0.851528898658659
Energy: 0.7147816301622195
Energy: 0.8520702589103443
Energy: 0.7151090738950844
Energy: 0.8788458441361519
Energy: 0.7151090738932351
Energy: 0.8724047838593945
Energy: 0.7161467073786835
Energy: 0.8733559175409548
Energy: 0.716146707380533
Energy: 0.8392914007439815
Energy: 0.7138589104206807
Energy: 0.8525753036384436
Energy: 0.7138589104216055
Energy: 0.8474960612548338
Energy: 0.714386699065307
Energy: 0.8543271434669174
Energy: 0.7143866990680603
Energy: 0.8437745743947364
Energy: 0.7146763149771962
Energy: 0.9051298285073399
Energy: 0.7146763149762715
Energy: 0.8482281719301955
Energy: 0.9025077415223466
Energy: 0.8303903977748491
Energy: 0.9025077415057009
Energy: 0.9211933047440924
Energy: 0.7171974122157994
Energy: 0.8171390161160859
Energy: 0.717197412217649
Energy: 0.8611259648012276
Energy: 0.7170252837001511
Energy: 0.8142681749116385
Energy: 0.7170252836983014
Energy: 0.8150317557058064
Energy: 0.8157049501981528
Energy: 0.8370928322569506
Energy: 0.8157049501972281
Energy: 0.79395725375518
Energy: 0.7217709897725554
Energy: 0.7752415803094515
Energy: 0.7217709897707058
Energy: 0.7898769746366039
Energy: 0.722750363156691
Energy: 0.7753221970695388
Energy: 0.7227503631557662
Energy: 0.8270796316075207
Energy: 0.7750356149459647
Energy: 0.7752146382368204
Energy: 0.7750356149459647
Energy: 0.8368286154841108
Energy: 0.7325006469617089
Energy: 0.7729540823923395
Energy: 0.7325006469617089
Energy: 0.7646703591289894
Energy: 0.7345893498844275
Energy: 0.7737971225816127
Energy: 0.734589349886277
Energy: 0.765998353432183
Energy: 0.7935343294908959
Energy: 0.8248323121688118
Energy: 0.7935345365315549
Energy: 0.7709327895851401
Energy: 0.7520460769697757
Energy: 0.8478445438193308
Energy: 0.7520460769716251
Energy: 0.7653121981908344
Energy: 0.7546523324675655
Energy: 0.7660766955614104
Energy: 0.7546523324666407
Energy: 0.7841694317439024
Energy: 0.7678297286611018
Energy: 0.7948882227029277
Energy: 0.7678297286629513
Energy: 0.7688225335793896
Energy: 0.768830621821064
Energy: 0.7689752817415548
Energy: 0.7688306218460326
Energy: 0.7652707337496213
Energy: 0.7854265542888648
Energy: 0.7679067221484956
Energy: 0.7854265542897896
Energy: 0.7641813036601774
Energy: 0.7683735761720033
Energy: 0.8223379707403363
Energy: 0.7683735761720033
Energy: 0.7676726306735143
Energy: 0.7701130822902369
Energy: 0.7822670937577173
Energy: 0.7701130822865379
Energy: 0.7676668069025203
Energy: 0.7702382302152425
Energy: 0.7678342620277826
Energy: 0.7702382296005522
Energy: 0.7833131974941759
Energy: 0.7690074601213955
Energy: 0.7675911230329064
Energy: 0.769007460123245

minimum gb energy = 0.7138589104206807 eV
minimum distance =  2.2632465210822 Angstroms
sigma value = 113


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

Energy: 0.014034170650003591
Energy: 0.10371799998558928
Energy: 0.8648056803150607
Energy: 0.01412962774725412
Energy: 0.09403492396981963
Energy: 0.10416940755518617
Energy: 0.0927043291102716
Energy: 0.10416940755518617
Energy: 0.0897416391941283
Energy: 0.10429250861826166
Energy: 0.014728878253481377
Energy: 0.10429250861897257
Energy: 0.08982230261265305
Energy: 0.10496654503985534
Energy: 0.016145606678473978
Energy: 0.10496654504052676
Energy: 0.09077417284356303
Energy: 0.10368588866754266
Energy: 0.09169944134424969
Energy: 0.10368588866825357
Energy: 0.014613013629585002
Energy: 0.10636139021692183
Energy: 0.08947609002164436
Energy: 0.10636139021625042

minimum gb energy = 0.014034170650003591 eV
minimum distance =  2.44460860013491 Angstroms
sigma value = 1