Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.487144187092781
cohesive_energy=4.453657130216031
mass=58.6934
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=[2.06898681808224e-19, 2.92584690371178e-19, 3.5753052240700195e-19, 4.1003224852654793e-19, 4.544093369350799e-19, 4.924434080496059e-19, 5.249275393039559e-19, 5.531258480623559e-19, 5.777448942204e-19, 5.99298976477602e-19, 6.1818383246256e-19, 6.34723101855342e-19, 6.492131873332379e-19, 6.6191524368759e-19, 6.729270036930719e-19, 6.82322167474848e-19, 6.9024973745988e-19, 6.9684269430879e-19, 7.022115882093239e-19, 7.06446141052986e-19, 7.096248594948419e-19, 7.11818239306788e-19, 7.1308876537755e-19, 7.134989225958539e-19, 7.130679370813079e-19, 7.117028825891399e-19, 7.092819936951659e-19, 7.055985896135999e-19, 7.00324224134472e-19, 6.931272466945439e-19, 6.836984372034539e-19, 6.716741015652839e-19, 6.56602425969246e-19, 6.379258529467079e-19, 6.149602530749519e-19, 5.86898129330442e-19, 5.52728508257124e-19, 5.11068711419856e-19, 4.60252475119278e-19, 3.9828508944605997e-19, 3.2272643938661995e-19, 2.3085763119306e-19, 1.17659045471058e-19, -2.3177087187444e-20, -1.98844539869106e-19, -4.19627684387574e-19, -6.996977730705779e-19, -1.0580245772646779e-18, -1.523907101075832e-18, -2.13675888970044e-18, -2.9523629270044796e-18, -4.041490559265e-18, -5.4701674855691395e-18, -7.097754640984379e-18]
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: -8.48587586902969e-25 eV

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

Energy: 0.018458424745803503
Energy: 0.17518790279071136
Energy: 1.0314061796560274
Energy: 0.018841623206424237
Energy: 0.17518790279071136
Energy: 1.2502426945088205
Energy: 0.018841623206424237
Energy: 1.2502426945108054
Energy: 1.0314061796560274
Energy: 0.018841623206424237
Energy: 0.018458424745803503
Energy: 0.17518790279071136
Energy: 0.018841623206424237
Energy: 1.2502426945101313
Energy: 0.17518790279071136
Energy: 1.2502426945088205

minimum gb energy = 0.018458424745803503 eV
minimum distance =  2.43197693157735 Angstroms
sigma value = 1


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

Energy: 2.0251245091460572
Energy: 1.373631110208043
Energy: 1.3758691640799365
Energy: 1.290206054512544
Energy: 1.3293350658746146
Energy: 1.428140215835511
Energy: 1.330203910727268
Energy: 1.428140215835511
Energy: 1.3755463997738928
Energy: 1.3737537501219794
Energy: 1.3280636775234742
Energy: 1.3737537501219794
Energy: 1.3307685948242942
Energy: 1.3283497253865932
Energy: 1.3295420943254572
Energy: 1.3283497253865932
Energy: 1.4074154036752247
Energy: 1.3287115918155554
Energy: 1.3310532170428662
Energy: 1.3287115918155554
Energy: 1.331015313916617
Energy: 1.3289645333241809
Energy: 1.3303764241053126
Energy: 1.3289645333241809
Energy: 1.4115861785139812
Energy: 1.476191658421273
Energy: 1.4077478100175325
Energy: 1.476191658421273
Energy: 1.409348266125238
Energy: 1.4100067848418887
Energy: 1.377210627157716
Energy: 1.4100067848418887
Energy: 1.436124978789271
Energy: 1.5690155265748464
Energy: 1.4376442623873478
Energy: 1.5690155265748464
Energy: 1.4530603001861633
Energy: 1.5260744985160613
Energy: 1.437848115597345
Energy: 1.5260744985160613
Energy: 1.4336770330651218
Energy: 1.5682438515408845
Energy: 1.4373104063953117
Energy: 1.5682438515408845
Energy: 1.4097761756198954
Energy: 1.568869384879755
Energy: 1.3763760624342596
Energy: 1.5688693848789377
Energy: 1.4147776345846714
Energy: 1.4763238509146739
Energy: 1.3711088480759226
Energy: 1.4763238509138565
Energy: 1.3310898398799036
Energy: 1.478950253179126
Energy: 1.4135363141235704
Energy: 1.478950253179126
Energy: 1.3712567911819356
Energy: 1.3275085629298506
Energy: 1.3277154710363388
Energy: 1.3275085629290333
Energy: 1.2881306997703177
Energy: 1.329371512528736
Energy: 1.3289587997152315
Energy: 1.329371512528736
Energy: 1.3746838179752676
Energy: 1.3734938753557568
Energy: 1.28377199849398
Energy: 1.3734938753565742
Energy: 1.329852034616118
Energy: 1.3313594416810948
Energy: 1.3704507932919414
Energy: 1.3313594416810948
Energy: 1.3293840868861573
Energy: 1.3738241471197785
Energy: 1.3778116225131973
Energy: 1.3738241471197785
Energy: 1.3300972945525225
Energy: 1.329273744658837
Energy: 1.3305440529320496
Energy: 1.329273744658837
Energy: 1.3282311706928767
Energy: 1.3304499110359482
Energy: 1.407012802740521
Energy: 1.3304499110359482
Energy: 1.3297847394418627
Energy: 1.3288663912125835
Energy: 1.3310548209705118
Energy: 1.3288663912125835
Energy: 1.4076435754604197
Energy: 1.4782287416331095
Energy: 1.4107071253870964
Energy: 1.4782287416331095
Energy: 1.3780177122603892
Energy: 1.4779756605622654
Energy: 1.4146743592220405
Energy: 1.4779756605622654
Energy: 1.4383357734208546
Energy: 1.5703118640400542
Energy: 1.4362792052492976
Energy: 1.5703118640400542
Energy: 1.4405297672782114
Energy: 1.5651914774905646
Energy: 1.455952233188946
Energy: 1.565191477491382
Energy: 1.4375035682043993
Energy: 1.5680579241889396
Energy: 1.434134666907728
Energy: 1.5680579241889396
Energy: 1.4584029262628209
Energy: 1.5679635943613828
Energy: 1.4446071918629515
Energy: 1.567963594360565
Energy: 1.3703320088025253
Energy: 1.4768768109270687
Energy: 1.4532444741015806
Energy: 1.4768768109270687
Energy: 1.413313253298708
Energy: 1.4762333821645184
Energy: 1.3311257918082573
Energy: 1.476233382163701
Energy: 1.3272630235182357
Energy: 1.3273477100547697
Energy: 1.3698542479995763
Energy: 1.3273477100547697
Energy: 1.328855377815634
Energy: 1.3289370073826936
Energy: 1.2840819554337564
Energy: 1.3289370073826936
Energy: 1.2836832213033553
Energy: 1.3734547540331072
Energy: 1.375817191047282
Energy: 1.3734547540331072

minimum gb energy = 1.2836832213033553 eV
minimum distance =  2.23609076869849 Angstroms
sigma value = 1


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

Energy: 2.273941788400117
Energy: 1.4541006296311623
Energy: 1.4564277667460406
Energy: 1.3592393498065922
Energy: 1.4073920323230735
Energy: 1.5077312333203656
Energy: 1.4075896370207874
Energy: 1.5077312333194335
Energy: 1.4546523254522217
Energy: 1.4542752035913973
Energy: 1.4056941696155605
Energy: 1.4542752035913973
Energy: 1.4093283628008675
Energy: 1.4057018244544754
Energy: 1.40757701073468
Energy: 1.4057018244535433
Energy: 1.4061108583763022
Energy: 1.4069262198024173
Energy: 1.4059125290046888
Energy: 1.4069262198024173
Energy: 1.4095385218662848
Energy: 1.4106673217308434
Energy: 1.4091006908632602
Energy: 1.4106673217308434
Energy: 1.5031776758111772
Energy: 1.5770446610173483
Energy: 1.4973958445323001
Energy: 1.5770446610173483
Energy: 1.501296555112894
Energy: 1.5797204722412121
Energy: 1.4587213741441034
Energy: 1.5797204722412121
Energy: 1.49970123101089
Energy: 1.6650350821378506
Energy: 1.5203095092081655
Energy: 1.6650350821387825
Energy: 1.4573034462197503
Energy: 1.6318850204192525
Energy: 1.5005083025599226
Energy: 1.6318850204192525
Energy: 1.4623819284552595
Energy: 1.5770055437843586
Energy: 1.5053149033000925
Energy: 1.5770055437843586
Energy: 1.504129149457062
Energy: 1.577271219640426
Energy: 1.409112936282005
Energy: 1.577271219640426
Energy: 1.4062441892217028
Energy: 1.406443365952477
Energy: 1.4585541458842324
Energy: 1.406443365952477
Energy: 1.407126327766356
Energy: 1.4069906236568817
Energy: 1.351565259631628
Energy: 1.4069906236568817
Energy: 1.3512076469973233
Energy: 1.4543154887423924
Energy: 1.4554133839593728
Energy: 1.4543154887423924
Energy: 1.4591435183877564
Energy: 1.4093562788955767
Energy: 1.4075609728559906
Energy: 1.4093562788955767
Energy: 1.4539518593905707
Energy: 1.4549213882622734
Energy: 1.4077548028801463
Energy: 1.4549213882622734
Energy: 1.4087999315793063
Energy: 1.4103436596213064
Energy: 1.40742875653622
Energy: 1.4103436596213064
Energy: 1.4055791171259109
Energy: 1.411501977385744
Energy: 1.407129816739706
Energy: 1.411501977385744
Energy: 1.4096781709965767
Energy: 1.407170470093073
Energy: 1.408699896415887
Energy: 1.407170470093073
Energy: 1.4997514797313594
Energy: 1.57961703992402
Energy: 1.4975134531796468
Energy: 1.57961703992402
Energy: 1.4987263860774784
Energy: 1.5784915604474217
Energy: 1.459769133154176
Energy: 1.5784915604474217
Energy: 1.4998089924370368
Energy: 1.666235125521278
Energy: 1.5203950462839833
Energy: 1.6662351255203458
Energy: 1.4559374300084982
Energy: 1.6640427441681769
Energy: 1.5348132274757245
Energy: 1.6640427441691092
Energy: 1.458633994571933
Energy: 1.576652160848724
Energy: 1.5615175374093289
Energy: 1.576652160848724
Energy: 1.503772318257795
Energy: 1.5764594476850802
Energy: 1.410597865244633
Energy: 1.5764594476850802
Energy: 1.40598573557348
Energy: 1.4061626285579902
Energy: 1.4579677904660313
Energy: 1.4061626285579902
Energy: 1.4076701492478851
Energy: 1.4069813529838031
Energy: 1.3518739980796746
Energy: 1.4069813529838031
Energy: 1.3509258167978262
Energy: 1.4547230566263185
Energy: 1.4563714314743557
Energy: 1.4547230566263185

minimum gb energy = 1.3509258167978262 eV
minimum distance =  2.23795611801597 Angstroms
sigma value = 25


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

Energy: 2.187364771582472
Energy: 1.5450855868344708
Energy: 1.5447577696501924
Energy: 1.4366376687029763
Energy: 1.4976715386637145
Energy: 1.595662314271054
Energy: 1.4987317254064982
Energy: 1.595662314271054
Energy: 1.5438675181314199
Energy: 1.5451404758038707
Energy: 1.495207060069394
Energy: 1.5451404758038707
Energy: 1.498553645442042
Energy: 1.597676648088821
Energy: 1.4982745164353586
Energy: 1.597676648088821
Energy: 1.496033615761675
Energy: 1.497842844303526
Energy: 1.4961932326752634
Energy: 1.497842844303526
Energy: 1.4977221884637937
Energy: 1.4984760663341965
Energy: 1.4975090402453504
Energy: 1.4984760663341965
Energy: 1.5865997506791423
Energy: 1.6986401185204434
Energy: 1.581742960781493
Energy: 1.698640118521527
Energy: 1.5837415111377107
Energy: 1.6988855520195738
Energy: 1.45122220062961
Energy: 1.6988855520195738
Energy: 1.585634454418313
Energy: 1.6983964939549239
Energy: 1.563317520936051
Energy: 1.6983964939549239
Energy: 1.4978133899483164
Energy: 1.6991083154477764
Energy: 1.49754351395465
Energy: 1.6991083154477764
Energy: 1.424651061762642
Energy: 1.497877226733883
Energy: 1.496249517918858
Energy: 1.4978772267349663
Energy: 1.425133699259328
Energy: 1.4973290701437658
Energy: 1.4977101707179483
Energy: 1.4973290701437658
Energy: 1.5438084033832258
Energy: 1.5445313942344439
Energy: 1.4242182050301768
Energy: 1.5445313942355277
Energy: 1.4984717409870056
Energy: 1.4992530572111085
Energy: 1.562185242912966
Energy: 1.4992530572111085
Energy: 1.494685435255319
Energy: 1.5458483300752761
Energy: 1.5451399770445982
Energy: 1.5458483300752761
Energy: 1.5447498756362623
Energy: 1.500344415661666
Energy: 1.544716322362436
Energy: 1.500344415661666
Energy: 1.4986212771693095
Energy: 1.4998398089089504
Energy: 1.4950624549227847
Energy: 1.4998398089089504
Energy: 1.5003611056818136
Energy: 1.4977038621796979
Energy: 1.4977969402732163
Energy: 1.4977038621796979
Energy: 1.5823078907861847
Energy: 1.701139031384494
Energy: 1.5901146240701602
Energy: 1.701139031384494
Energy: 1.451951832713036
Energy: 1.6999861590211005
Energy: 1.58690298993158
Energy: 1.6999861590211005
Energy: 1.5638135776556508
Energy: 1.6985685952841587
Energy: 1.5853348885222767
Energy: 1.6985685952841587
Energy: 1.5647206737029067
Energy: 1.6980027698775892
Energy: 1.500242276215842
Energy: 1.6980027698775892
Energy: 1.4960247097325552
Energy: 1.4975693702197268
Energy: 1.4243879742954018
Energy: 1.4975693702197268
Energy: 1.4977410466133119
Energy: 1.4970888774069484
Energy: 1.4248931443614745
Energy: 1.4970888774058648
Energy: 1.4240296822116678
Energy: 1.5465429516897593
Energy: 1.5451554049043947
Energy: 1.5465429516897593

minimum gb energy = 1.4240296822116678 eV
minimum distance =  2.23785536018726 Angstroms
sigma value = 9


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

Energy: 2.0522399669754354
Energy: 1.6461339788743479
Energy: 1.6456649490456787
Energy: 1.5181821382800298
Energy: 1.6460919083690388
Energy: 1.6879164151910266
Energy: 1.6010731973815733
Energy: 1.6879164151910266
Energy: 1.6452278072849191
Energy: 1.6469475276659014
Energy: 1.6431530013208069
Energy: 1.6469475276659014
Energy: 1.5901288025514742
Energy: 1.6892078263185872
Energy: 1.6012159666904362
Energy: 1.6892078263185872
Energy: 1.5948866928964844
Energy: 1.6032174575602736
Energy: 1.5987036073744987
Energy: 1.6032174575602736
Energy: 1.5933561300880934
Energy: 1.6027309281364883
Energy: 1.602374008877893
Energy: 1.6027309281364883
Energy: 1.6842279892885832
Energy: 1.812301165234292
Energy: 1.600124582211645
Energy: 1.812301165234292
Energy: 1.603241311496838
Energy: 1.8108303285436642
Energy: 1.6017412929652364
Energy: 1.8108303285436642
Energy: 1.5982191946601825
Energy: 1.602830622886462
Energy: 1.5008968626825336
Energy: 1.602830622886462
Energy: 1.601180967302561
Energy: 1.6021548636419785
Energy: 1.5003620284457084
Energy: 1.6021548636419785
Energy: 1.4990415425169346
Energy: 1.645338875022738
Energy: 1.6443107259072756
Energy: 1.645338875022738
Energy: 1.672407519154604
Energy: 1.591971064462058
Energy: 1.646422354699664
Energy: 1.591971064462058
Energy: 1.6480535643475047
Energy: 1.6463436962223879
Energy: 1.6426083993169749
Energy: 1.6463436962223879
Energy: 1.646511812709145
Energy: 1.6014451244713477
Energy: 1.642728442863059
Energy: 1.6014451244713477
Energy: 1.595773587785294
Energy: 1.5900068804602794
Energy: 1.6018943508151295
Energy: 1.5900068804602794
Energy: 1.5933419445719506
Energy: 1.6045630818001897
Energy: 1.6011691493009248
Energy: 1.6045630818001897
Energy: 1.6758280145564024
Energy: 1.8146222419148237
Energy: 1.5993628691627377
Energy: 1.8146222419148237
Energy: 1.6727490611799367
Energy: 1.8123708526732856
Energy: 1.6016713566643501
Energy: 1.8123708526732856
Energy: 1.5987286980380988
Energy: 1.602544199893627
Energy: 1.5005008576054357
Energy: 1.602544199893627
Energy: 1.6022116529115105
Energy: 1.6034616368143289
Energy: 1.5006751977669286
Energy: 1.6034616368143289
Energy: 1.498875425628358
Energy: 1.6461547295490322
Energy: 1.6464963770113332
Energy: 1.6461547295490322

minimum gb energy = 1.498875425628358 eV
minimum distance =  2.23717880842298 Angstroms
sigma value = 25


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

Energy: 1.8464275189496882
Energy: 1.7570998750868447
Energy: 1.7564871540438607
Energy: 1.5918451932496436
Energy: 1.7940680851221638
Energy: 1.7128555096315976
Energy: 1.6232747919770674
Energy: 1.7128555096315976
Energy: 1.7562191146191903
Energy: 1.757915413463012
Energy: 1.7532073823608672
Energy: 1.757915413463012
Energy: 1.7555064145897412
Energy: 1.7130672107729739
Energy: 1.6236646465921218
Energy: 1.7130672107729739
Energy: 1.6163111225902602
Energy: 1.8201289696021137
Energy: 1.6229530603497146
Energy: 1.8201289696021137
Energy: 1.5791751972873806
Energy: 1.6225694830919677
Energy: 1.6188205240509115
Energy: 1.6225694830919677
Energy: 1.573360131066564
Energy: 1.6226039884036345
Energy: 1.624475427317279
Energy: 1.6226039884036345
Energy: 1.5725967222719786
Energy: 1.7146806102170624
Energy: 1.6234624130942257
Energy: 1.7146806102170624
Energy: 1.7543314572537
Energy: 1.7557978558928016
Energy: 1.918545833144995
Energy: 1.7557978558928016
Energy: 1.795496883563664
Energy: 1.5838852923678304
Energy: 1.7477496059673159
Energy: 1.5838852923678304
Energy: 1.750934380397818
Energy: 1.756705321667006
Energy: 1.7608003006494803
Energy: 1.756705321667006
Energy: 1.750189130247597
Energy: 1.7160627649626832
Energy: 1.7587126626594045
Energy: 1.7160627649626832
Energy: 1.6199360744373186
Energy: 1.8256175389947173
Energy: 1.6170392594230696
Energy: 1.8256175389947173
Energy: 1.6229480621321126
Energy: 1.6234545340948625
Energy: 1.5815162382716
Energy: 1.6234545340916653
Energy: 1.6278566588758503
Energy: 1.6214160292014024
Energy: 1.5728554109627604
Energy: 1.6214160292221467
Energy: 1.6201343941022857
Energy: 1.8112316452761261
Energy: 1.5729251261272774
Energy: 1.8112316452761261
Energy: 1.9207526522856866
Energy: 1.7599836741482104
Energy: 1.759939596135838
Energy: 1.7599836741482104

minimum gb energy = 1.5725967222719786 eV
minimum distance =  2.24079011107213 Angstroms
sigma value = 17


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

Energy: 2.47509370750425
Energy: 1.9197868738338983
Energy: 1.919766835104102
Energy: 1.8172929637868656
Energy: 1.6855928380128464
Energy: 1.7188627520835378
Energy: 1.8241332312000238
Energy: 1.7188627520844428
Energy: 1.7142649653133497
Energy: 1.71396763135239
Energy: 1.9378597260415942
Energy: 1.71396763135239
Energy: 1.7141713628409192
Energy: 1.7175028178256893
Energy: 1.7349156570620992
Energy: 1.717502817824784
Energy: 1.717175188122616
Energy: 1.8089305983249346
Energy: 1.615840180097778
Energy: 1.8089305983258404
Energy: 1.715131852655751
Energy: 1.8024900695598567
Energy: 1.7158289379061844
Energy: 1.8024900695589514
Energy: 1.8056933483501794
Energy: 1.7116448382162912
Energy: 1.7112225623771227
Energy: 1.7116448382162912
Energy: 2.0692498069371013
Energy: 1.736694022152911
Energy: 1.6473620134018185
Energy: 1.736694022152911
Energy: 1.9229204737476033
Energy: 1.9191489589577322
Energy: 1.917820456894849
Energy: 1.9191489589577322
Energy: 1.9367820311721429
Energy: 1.8500242074138844
Energy: 1.8590175204183763
Energy: 1.8500242074147897
Energy: 1.7116251570914804
Energy: 1.6477005203815076
Energy: 1.6433126936525098
Energy: 1.647700520380602
Energy: 1.9551316472223668
Energy: 1.6879312853258819
Energy: 1.651167839013499
Energy: 1.6879312853267872
Energy: 1.806155913308707
Energy: 1.6916516495361278
Energy: 1.6868002871678762
Energy: 1.6916516495361278
Energy: 1.807954345700799
Energy: 1.6867397482216433
Energy: 1.6445868136325683
Energy: 1.6867397482216433
Energy: 1.923948662085855
Energy: 1.9185729180766153
Energy: 2.0223348202772344
Energy: 1.9185729180766153
Energy: 1.923456049433965
Energy: 1.9214395653864236
Energy: 2.022691660725391
Energy: 1.9214395653873286
Energy: 1.9233344794024572
Energy: 1.7121258981840426
Energy: 1.717245399118082
Energy: 1.7121258981840426
Energy: 1.925313366797078
Energy: 1.712796226043048
Energy: 1.7095015058948049
Energy: 1.712796226043048
Energy: 1.7142633426636105
Energy: 1.8096078401170397
Energy: 1.7142077339187516
Energy: 1.809607840117945
Energy: 1.764620504951444
Energy: 1.8049301905394928
Energy: 1.7140368204915832
Energy: 1.8049301905394928
Energy: 1.7115594241504977
Energy: 1.7396816671976794
Energy: 2.0145693729459464
Energy: 1.7396816671976794
Energy: 1.7150258461616057
Energy: 1.71567748937069
Energy: 1.8072717628559785
Energy: 1.71567748937069
Energy: 1.8458541288172243
Energy: 1.8485517381997791
Energy: 1.8440433638759726
Energy: 1.8485517381997791
Energy: 1.9053069507107416
Energy: 1.918846114264539
Energy: 1.921640377277442
Energy: 1.918846114264539
Energy: 1.6466335841017055
Energy: 1.6921545276258736
Energy: 1.9422450889113294
Energy: 1.6921545276258736
Energy: 1.6508760468338377
Energy: 1.6887794740882618
Energy: 1.7112930175883476
Energy: 1.6887794740882618
Energy: 1.6431277978979377
Energy: 1.648754271110124
Energy: 1.8134209579443308
Energy: 1.648754271110124
Energy: 1.657603132399353
Energy: 1.6503964935466762
Energy: 1.8078657733621397
Energy: 1.6503964935466762
Energy: 1.648108891274444
Energy: 1.7205439743639999
Energy: 1.8101770058961926
Energy: 1.7205439743639999
Energy: 2.0624950439752068
Energy: 1.9192228486910043
Energy: 1.9184982893905962
Energy: 1.9192228486910043

minimum gb energy = 1.615840180097778 eV
minimum distance =  2.22676583563095 Angstroms
sigma value = 53


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

Energy: 2.593105075986505
Energy: 1.897535648030947
Energy: 1.8992043231202647
Energy: 1.712242431201666
Energy: 1.973291003938029
Energy: 1.8297304136912245
Energy: 1.897188285088122
Energy: 1.8297304136912245
Energy: 1.9722256990323144
Energy: 1.9735549489278397
Energy: 1.9437403868152547
Energy: 1.9735549489278397
Energy: 1.9793955266651415
Energy: 1.831254100170685
Energy: 1.7064922601512436
Energy: 1.831254100170685
Energy: 1.9806622056394354
Energy: 1.551883580441327
Energy: 1.7059368488413214
Energy: 1.551883580441327
Energy: 2.068346329576827
Energy: 1.5722351850950327
Energy: 1.7048019796007303
Energy: 1.5722351850950327
Energy: 2.0618672531188738
Energy: 1.547552935807243
Energy: 1.7010036466488656
Energy: 1.547552935807243
Energy: 2.0618590427181456
Energy: 1.5465695373229662
Energy: 1.7067067762620054
Energy: 1.5465695373229662
Energy: 1.9733789012879863
Energy: 1.974206924473215
Energy: 1.9421668791640254
Energy: 1.9742069244752989
Energy: 2.0166613194631244
Energy: 1.5749026127770887
Energy: 1.7059215731602075
Energy: 1.5749026127770887
Energy: 2.011656953164758
Energy: 1.8399654948492923
Energy: 1.707196675960899
Energy: 1.8399654948492923
Energy: 2.007498539576367
Energy: 1.9334683313056074
Energy: 1.7145103698940252
Energy: 1.9334683313056074
Energy: 1.9606991878137487
Energy: 1.7081050998286238
Energy: 1.893988668911902
Energy: 1.7081050998286238

minimum gb energy = 1.5465695373229662 eV
minimum distance =  2.27598195524223 Angstroms
sigma value = 9


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

Energy: 2.2015577879338433
Energy: 2.0143946555864547
Energy: 2.018493183398964
Energy: 1.8786861810423994
Energy: 1.6782495177980177
Energy: 1.6777047377965273
Energy: 2.0192691391658
Energy: 1.6777047377965273
Energy: 1.6888341744283486
Energy: 1.681166466629218
Energy: 2.00155942927865
Energy: 1.6811664666299895
Energy: 1.677758064765324
Energy: 1.6803887005158682
Energy: 2.1307162548759435
Energy: 1.6803887005158682
Energy: 1.6772681509608451
Energy: 1.67532381696228
Energy: 2.1323207000617934
Energy: 1.67532381696228
Energy: 1.6747721088206409
Energy: 1.6761561716994369
Energy: 2.1422318723497464
Energy: 1.6761561716994369
Energy: 2.0197221377429044
Energy: 1.9985056989971077
Energy: 2.017251061825132
Energy: 1.9985056989971077
Energy: 2.025152454127756
Energy: 2.0040479642376385
Energy: 2.001700193831854
Energy: 2.0040479642376385
Energy: 1.7743575421003523
Energy: 1.8843531145016978
Energy: 1.7901588450776365
Energy: 1.8843531145016978
Energy: 1.6681508820298439
Energy: 1.798417517163752
Energy: 2.0026203851004722
Energy: 1.7984175171629808
Energy: 1.77313074336796
Energy: 1.7732045772731984
Energy: 1.8661038395447185
Energy: 1.7732045772731984
Energy: 1.7799669281637833
Energy: 1.8865188227483751
Energy: 2.1322631139176997
Energy: 1.8865188227483751
Energy: 2.0169649532255027
Energy: 1.7738740286900188
Energy: 1.7885956673402716
Energy: 1.7738740286900188
Energy: 2.0173434729406985
Energy: 1.7747809082193549
Energy: 1.773711474420549
Energy: 1.7747809082185833
Energy: 1.999378069870371
Energy: 1.7911837506140513
Energy: 1.77889687332786
Energy: 1.7911837506140513
Energy: 1.8697756881183865
Energy: 1.8830929616537835
Energy: 1.7780048350618187
Energy: 1.8830929616537835
Energy: 2.003899855907129
Energy: 1.8618309649424263
Energy: 1.7781759859486015
Energy: 1.8618309649424263
Energy: 2.0147149296154803
Energy: 2.0047547646790784
Energy: 2.199644413047444
Energy: 2.0047547646790784
Energy: 2.0195336894762494
Energy: 1.678329259835742
Energy: 1.6709041731265224
Energy: 1.678329259835742
Energy: 2.0603704862375776
Energy: 1.6839762681029604
Energy: 1.691100425716006
Energy: 1.6839762681029604
Energy: 2.012490440519874
Energy: 1.6783716087943115
Energy: 1.6749933149323062
Energy: 1.6783716087943115
Energy: 2.142766546889424
Energy: 1.6746124591439477
Energy: 1.6756004791818637
Energy: 1.6746124591439477
Energy: 2.1323914773934805
Energy: 1.6768493755448741
Energy: 1.674435327494634
Energy: 1.6768493755448741
Energy: 2.0196706607060135
Energy: 1.9990988063125474
Energy: 2.017272060957946
Energy: 1.9990988063125474
Energy: 1.9983020817937005
Energy: 1.9984372488984758
Energy: 2.0163810726247267
Energy: 1.9984372488984758
Energy: 1.7882960776466121
Energy: 1.8815507819833146
Energy: 1.7733306931137078
Energy: 1.881550782043413
Energy: 2.0050714299502035
Energy: 1.7981312972015597
Energy: 1.6675984791706915
Energy: 1.798131297202331
Energy: 1.865679798655107
Energy: 1.774703583146756
Energy: 1.7731482999485353
Energy: 1.7747035831475273
Energy: 2.1306506151387223
Energy: 1.781304003309335
Energy: 1.779610134662713
Energy: 1.781304003309335
Energy: 1.7903560227257689
Energy: 1.7748446998539111
Energy: 2.016186546670908
Energy: 1.7748446998531395
Energy: 1.7762979283916178
Energy: 1.7746229458395213
Energy: 1.997151012930827
Energy: 1.7746229458395213
Energy: 1.778229980863397
Energy: 1.7931322087127397
Energy: 2.0008154552820616
Energy: 1.7931322087142827
Energy: 1.7796228850962623
Energy: 1.8959943484229373
Energy: 1.8683409623714822
Energy: 1.8959943484229373
Energy: 1.7759768879216948
Energy: 1.8635933617429683
Energy: 1.8701112895695642
Energy: 1.8635933617429683
Energy: 2.1336822823903296
Energy: 2.000727199418846
Energy: 2.0102206046033353
Energy: 2.000727199418846

minimum gb energy = 1.6675984791706915 eV
minimum distance =  2.22019241454623 Angstroms
sigma value = 73


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

Energy: 2.3173758501199333
Energy: 1.9398664397627143
Energy: 1.9381699951847138
Energy: 1.7792518110625872
Energy: 1.7158858449450332
Energy: 1.7116039508508591
Energy: 1.906831492672153
Energy: 1.7116039508508591
Energy: 1.7131036583978987
Energy: 1.7129729388771182
Energy: 1.992326497395012
Energy: 1.7129729388771182
Energy: 1.7130537214577324
Energy: 1.7124449302260358
Energy: 2.1060310341903907
Energy: 1.7124449302260358
Energy: 1.7102844109796582
Energy: 1.7133177946290599
Energy: 2.007814843614854
Energy: 1.7133177946290599
Energy: 1.711826834909894
Energy: 1.7148592196224202
Energy: 2.012253673757493
Energy: 1.7148592196224202
Energy: 1.7893454437122973
Energy: 1.969055376581177
Energy: 1.9932043501136163
Energy: 1.969055376581177
Energy: 1.7885504608730838
Energy: 1.9670870493016988
Energy: 1.9675195181652654
Energy: 1.9670870493016988
Energy: 1.7903640267116028
Energy: 1.9200026928636997
Energy: 1.9684408439647039
Energy: 1.9200026928636997
Energy: 1.7824407611567425
Energy: 1.7576036700719722
Energy: 1.9634975663466576
Energy: 1.7576036700719722
Energy: 1.794000601571887
Energy: 1.6941559280965486
Energy: 1.681501214160507
Energy: 1.6941559280965486
Energy: 1.776544860439999
Energy: 1.6919941817665336
Energy: 2.0902145608910887
Energy: 1.6919941817665336
Energy: 1.971810648843354
Energy: 1.8261424443672045
Energy: 1.767221617875833
Energy: 1.8261424443672045
Energy: 1.9733695008822145
Energy: 1.7842697599933577
Energy: 1.7800024628343294
Energy: 1.7842697599933577
Energy: 2.003949989832277
Energy: 1.7692512431427385
Energy: 1.771603365434237
Energy: 1.7692512431427385
Energy: 2.0129655129206694
Energy: 1.7686131914562586
Energy: 1.7684467172104141
Energy: 1.7686131914562586
Energy: 2.0547124844051727
Energy: 1.769607990245622
Energy: 1.781555351085191
Energy: 1.769607990245622
Energy: 1.9131007252628
Energy: 1.9122654441599587
Energy: 1.9054624203393726
Energy: 1.9122654441599587
Energy: 1.9135235678972002
Energy: 1.8414614794105526
Energy: 1.790405323863457
Energy: 1.8414614794105526
Energy: 1.917374172751316
Energy: 1.832630783729825
Energy: 1.9019191064555627
Energy: 1.832630783729825
Energy: 1.9127376036570722
Energy: 1.8360402882650888
Energy: 1.7828746938287314
Energy: 1.8360402882650888
Energy: 2.0061657463721794
Energy: 1.9079319026773944
Energy: 1.9089563455604552
Energy: 1.9079319026773944

minimum gb energy = 1.681501214160507 eV
minimum distance =  2.19966856002078 Angstroms
sigma value = 7


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

Energy: 2.649357064701598
Energy: 1.944323919395498
Energy: 1.9432668335205214
Energy: 1.715001058089878
Energy: 1.7139170392671492
Energy: 1.823377499192849
Energy: 1.8792735821893285
Energy: 1.823377499192849
Energy: 1.7057084108953386
Energy: 1.7074542132177957
Energy: 1.8612353356623752
Energy: 1.7074542132177957
Energy: 1.700215824984313
Energy: 1.7058772872577668
Energy: 2.083925390667146
Energy: 1.705877287258632
Energy: 1.710518869222799
Energy: 1.7137585187523035
Energy: 2.0081534224829816
Energy: 1.7137585187523035
Energy: 1.7092299889271627
Energy: 1.7232879456077743
Energy: 2.0076114575298125
Energy: 1.7232879456077743
Energy: 1.8745124149083237
Energy: 1.708842244794857
Energy: 1.7058934450106968
Energy: 1.708842244794857
Energy: 1.8736707669787094
Energy: 1.724488429597205
Energy: 1.7206395825938339
Energy: 1.724488429597205
Energy: 1.8798980625278885
Energy: 1.7067266221596822
Energy: 1.703082201278716
Energy: 1.7067266221596822
Energy: 2.0148390206836253
Energy: 1.7097182391903363
Energy: 1.7131132886055864
Energy: 1.7097182391903363
Energy: 1.8822887195426314
Energy: 1.8819327534239865
Energy: 1.7028137386345354
Energy: 1.881932753395428
Energy: 1.891125782129947
Energy: 1.8910681671529752
Energy: 1.8688444531619042
Energy: 1.8910681671529752
Energy: 1.8751723801375317
Energy: 1.8151900005098685
Energy: 1.8934136911058461
Energy: 1.8151900005098685
Energy: 1.8632590207089479
Energy: 1.8068693418511437
Energy: 1.7157631276560705
Energy: 1.8068693418502784
Energy: 1.8925761106479049
Energy: 1.8125489324208788
Energy: 1.7253020525092544
Energy: 1.8125489324208788
Energy: 1.7111460429431546
Energy: 1.890434451960984
Energy: 1.8901912558663414
Energy: 1.890434451960984
Energy: 1.710412892965461
Energy: 1.8808089475058067
Energy: 1.8838890664905203
Energy: 1.880808947506672
Energy: 1.715558311196596
Energy: 1.7101590512298899
Energy: 1.8613675400345595
Energy: 1.7101590512298899
Energy: 1.70123790904964
Energy: 1.7064784823496661
Energy: 1.8806556203519198
Energy: 1.7064784823496661
Energy: 1.726676901981337
Energy: 1.7257869333361646
Energy: 1.7145420350206697
Energy: 1.7257869333361646
Energy: 1.7056018073828458
Energy: 1.709026357165386
Energy: 2.0075508071622314
Energy: 1.709026357165386
Energy: 1.8740638949629056
Energy: 1.725300262611336
Energy: 1.708829575699244
Energy: 1.725300262611336
Energy: 1.8742840219661694
Energy: 1.713953244614012
Energy: 1.7098060801952912
Energy: 1.7139532446148775
Energy: 2.0812098432708854
Energy: 1.7050903983280012
Energy: 1.7001348867515373
Energy: 1.7050903983288668
Energy: 2.0137911393353107
Energy: 1.7073755470026264
Energy: 1.709309219704617
Energy: 1.7073755470026264
Energy: 2.0191899525333357
Energy: 1.7182816674338834
Energy: 1.7148610672601805
Energy: 1.7182816674338834
Energy: 1.9426911782739793
Energy: 1.9031182780035625
Energy: 2.3272656693351803
Energy: 1.9031182780035625
Energy: 1.8799305971033273
Energy: 1.8175818961038814
Energy: 1.8906490511179295
Energy: 1.8175818961047467
Energy: 1.865466127868681
Energy: 1.8091079346970824
Energy: 1.869280928943758
Energy: 1.8091079346970824
Energy: 1.8919151812630288
Energy: 1.8145688165262392
Energy: 1.7153401578964418
Energy: 1.814568816525374
Energy: 1.7103469396186592
Energy: 1.8927087454026055
Energy: 1.8918045037912212
Energy: 1.89270874540174

minimum gb energy = 1.7001348867515373 eV
minimum distance =  2.20701214440406 Angstroms
sigma value = 29


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

Energy: 1.5973640331223304
Energy: 1.749508446642031
Energy: 1.6532518358760195
Energy: 1.6012328682468095
Energy: 1.6399798886824388
Energy: 1.7747138340309387
Energy: 1.6461843661305344
Energy: 1.7747138340312403
Energy: 1.6337933896029204
Energy: 1.7418961264525146
Energy: 1.604806802466806
Energy: 1.7418961264525146
Energy: 1.6080503699446456
Energy: 1.6342607570044936
Energy: 1.6337174737282203
Energy: 1.6342607570027519
Energy: 1.631842457386353
Energy: 1.6450937265018928
Energy: 1.608325656531979
Energy: 1.6450937265021943
Energy: 1.6333991692906216
Energy: 1.7497688847377186
Energy: 1.6083219731361378
Energy: 1.749768884737417
Energy: 1.60292362691288
Energy: 1.741088762754153
Energy: 1.6333999329075863
Energy: 1.741088762754153
Energy: 1.645198318837336
Energy: 1.643467422724996
Energy: 1.609076535987442
Energy: 1.6434674227246946
Energy: 1.6084509387711132
Energy: 1.6369157465155622
Energy: 1.6447933220146347
Energy: 1.6369157465152606

minimum gb energy = 1.5973640331223304 eV
minimum distance =  2.2499409027585 Angstroms
sigma value = 5


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

Energy: 2.271844760955474
Energy: 1.5904637144985434
Energy: 1.8539715017068021
Energy: 1.5700614014602934
Energy: 1.8311134313284894
Energy: 1.5903397314058367
Energy: 1.8668387331301834
Energy: 1.5903397314058367
Energy: 1.87262312096614
Energy: 1.712458792852656
Energy: 1.868708129673893
Energy: 1.712458792852656
Energy: 1.7389864323176452
Energy: 1.7116318171232554
Energy: 1.8589691739559666
Energy: 1.711631817122438
Energy: 1.7312404267494406
Energy: 1.5886468037396788
Energy: 1.7466544464373093
Energy: 1.5886468037396788
Energy: 1.5867468725627611
Energy: 1.5921924669870178
Energy: 1.748580484693882
Energy: 1.5921924669870178
Energy: 1.5852463523111635
Energy: 1.584552700304068
Energy: 1.8592207002716143
Energy: 1.584552700304068
Energy: 1.600355797267001
Energy: 1.5920182945177077
Energy: 2.002018263836768
Energy: 1.5920182945177077
Energy: 1.8041338518487644
Energy: 1.6606624070813332
Energy: 1.9988932114228015
Energy: 1.6606624070805158
Energy: 1.9958509467757275
Energy: 1.569834410742402
Energy: 1.5755762523322285
Energy: 1.569834410742402
Energy: 1.8022547752641724
Energy: 1.566528650442492
Energy: 1.5716111460161757
Energy: 1.566528650442492
Energy: 2.0046667639661764
Energy: 1.5743489671965252
Energy: 1.5651791655302094
Energy: 1.5743489671957076
Energy: 1.9968408183274926
Energy: 1.566138948234769
Energy: 1.5790331053740796
Energy: 1.5661389482355867
Energy: 1.663131138710228
Energy: 1.5541795551902533
Energy: 1.9919845066580597
Energy: 1.5541795551902533
Energy: 1.6935192137611372
Energy: 1.5522886714674846
Energy: 1.9919161079495222
Energy: 1.5522886714674846
Energy: 1.6978706560272154
Energy: 1.5511989790114895
Energy: 1.6064126015972922
Energy: 1.5511989790106722
Energy: 1.689376828061553
Energy: 1.5509818673521687
Energy: 1.6040529333702427
Energy: 1.550981867352986
Energy: 1.95515355706331
Energy: 1.5543857538592856
Energy: 1.6091133802736404
Energy: 1.5543857538592856
Energy: 1.984063577036368
Energy: 1.6797152816624432
Energy: 1.6086649937989042
Energy: 1.6797152816624432
Energy: 1.9530198455843832
Energy: 1.8011829999509161
Energy: 1.736276334353156
Energy: 1.8011829999500983
Energy: 1.7504993724865887
Energy: 1.5961944446265453
Energy: 1.6098954901417204
Energy: 1.5961944446265453
Energy: 1.7459650939355458
Energy: 1.5954251655969163
Energy: 1.5936989661766676
Energy: 1.5954251655977336
Energy: 1.9353796825059988
Energy: 1.5930088229456487
Energy: 1.5958875996609
Energy: 1.5930088229456487
Energy: 1.9996554832220161
Energy: 1.5985194545462307
Energy: 1.6031248574960055
Energy: 1.5985194545462307
Energy: 2.0010504884810345
Energy: 1.8082368809798535
Energy: 1.6398602212087314
Energy: 1.8082368809798535
Energy: 1.562430193058502
Energy: 1.5649738800233022
Energy: 1.9959406689242534
Energy: 1.5649738800233022
Energy: 1.5667774158607473
Energy: 1.5611290503988822
Energy: 1.6612363514166508
Energy: 1.5611290503996997
Energy: 1.5722973206827804
Energy: 1.562531209168816
Energy: 1.6107761641811287
Energy: 1.562531209168816
Energy: 1.5635972898873303
Energy: 1.5602700520087094
Energy: 1.9991392678091937
Energy: 1.5602700520087094
Energy: 1.9920818408955947
Energy: 1.6499774270985907
Energy: 1.6150095307993029
Energy: 1.6499774270985907
Energy: 1.9915953742407047
Energy: 1.5866719306528667
Energy: 1.5926617529163234
Energy: 1.5866719306528667
Energy: 1.832206476974005
Energy: 1.5864822198685373
Energy: 1.5904304346647673
Energy: 1.5864822198685373
Energy: 1.5946348690914216
Energy: 1.5845896559981985
Energy: 1.5865262587246585
Energy: 1.5845896559981985

minimum gb energy = 1.5509818673521687 eV
minimum distance =  2.20539535372417 Angstroms
sigma value = 1


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

Energy: 2.2602081736289286
Energy: 1.5169684416390095
Energy: 1.8017368018121689
Energy: 1.494045463342444
Energy: 1.5257190694951996
Energy: 1.51576505403968
Energy: 1.847816276471285
Energy: 1.51576505403968
Energy: 1.8475532588903707
Energy: 1.673645528856865
Energy: 1.8574556031251306
Energy: 1.673645528856865
Energy: 1.5367458370165736
Energy: 1.6740977000345578
Energy: 1.827518383804842
Energy: 1.6740977000345578
Energy: 1.5115635639246872
Energy: 1.5098381744985623
Energy: 1.8842592497767232
Energy: 1.5098381744985623
Energy: 1.5089687238023675
Energy: 1.5557287231762944
Energy: 1.8854640551839659
Energy: 1.5557287231762944
Energy: 1.5067243057467374
Energy: 1.5083453552480444
Energy: 1.8308185049210608
Energy: 1.508345355246914
Energy: 1.5182227007032583
Energy: 1.5188180980794588
Energy: 2.116022305563891
Energy: 1.5188180980794588
Energy: 1.8331466814210464
Energy: 1.614435244565488
Energy: 2.1084683730356906
Energy: 1.6144352445666181
Energy: 1.8968545413261153
Energy: 1.5156664686715309
Energy: 1.524537307495678
Energy: 1.5156664686726613
Energy: 1.8323770942405657
Energy: 1.5089859766862004
Energy: 1.507322218071737
Energy: 1.5089859766862004
Energy: 2.2094322937446758
Energy: 1.5259577306065883
Energy: 1.5089593418617804
Energy: 1.5259577306065883
Energy: 2.2011006447172874
Energy: 1.5102863100047823
Energy: 1.5110571749498096
Energy: 1.5102863100047823
Energy: 1.826089707411241
Energy: 1.673232608025633
Energy: 1.8565067277913627
Energy: 1.673232608025633
Energy: 1.542188465702306
Energy: 1.6723682132803157
Energy: 1.8565324611496217
Energy: 1.6723682132803157
Energy: 1.5387773786798393
Energy: 1.5134292494765333
Energy: 1.8282996610307398
Energy: 1.5134292494765333
Energy: 1.510222636298951
Energy: 1.513329076334335
Energy: 1.881920436460292
Energy: 1.513329076334335
Energy: 1.5324769069381234
Energy: 1.5156992936576474
Energy: 1.823966117051131
Energy: 1.5156992936576474
Energy: 1.507056485338945
Energy: 1.5123987847382532
Energy: 2.110308024045746
Energy: 1.5123987847393834
Energy: 1.515515393113479
Energy: 1.5431047540789877
Energy: 2.117001558312907
Energy: 1.5431047540789877
Energy: 1.880974648599867
Energy: 1.6032676547030833
Energy: 1.5142947028580382
Energy: 1.6032676547030833
Energy: 1.8806439628907226
Energy: 1.5130116894769765
Energy: 1.5157893436407854
Energy: 1.5130116894769765
Energy: 1.8289081417367536
Energy: 1.5096118526502011
Energy: 1.5097374130168761
Energy: 1.5096118526502011
Energy: 2.2012016572464232
Energy: 1.5102348348656052
Energy: 1.5087424098388975
Energy: 1.5102348348667356

minimum gb energy = 1.494045463342444 eV
minimum distance =  2.22207819351797 Angstroms
sigma value = 17


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

Energy: 2.395323769169642
Energy: 1.4925804054732001
Energy: 1.7977522806253818
Energy: 1.465636005490585
Energy: 1.4973255072980038
Energy: 1.4877524913173323
Energy: 1.6953856022418474
Energy: 1.4877524913166338
Energy: 1.9521789822280373
Energy: 1.4884794849528782
Energy: 1.7295827534550816
Energy: 1.4884794849528782
Energy: 1.9504686871366432
Energy: 1.5730245986187466
Energy: 1.682438308028025
Energy: 1.5730245986187466
Energy: 1.6656472976987713
Energy: 1.4639836609436887
Energy: 1.71690536216792
Energy: 1.4639836609436887
Energy: 1.465246229392664
Energy: 1.4624066538333558
Energy: 1.6785212648097068
Energy: 1.4624066538333558
Energy: 1.464752924430163
Energy: 1.4629975475361225
Energy: 1.5058485618462167
Energy: 1.4629975475361225
Energy: 1.4771583305842517
Energy: 1.4669123330265221
Energy: 1.484358716877765
Energy: 1.4669123330258234
Energy: 1.9271285651964098
Energy: 1.4684872739080768
Energy: 1.8708929484355268
Energy: 1.4684872739080768
Energy: 1.7224689317029378
Energy: 1.5727680688092935
Energy: 1.6967985355577793
Energy: 1.5727680688099923
Energy: 1.9214609938765108
Energy: 1.4827918533840145
Energy: 1.4987105506530796
Energy: 1.4827918533840145
Energy: 1.677067317676404
Energy: 1.4927671578897406
Energy: 1.6856478915781792
Energy: 1.4927671578904393
Energy: 1.6702372300024841
Energy: 1.482621956660389
Energy: 1.4849214150689698
Energy: 1.482621956660389
Energy: 1.4849296166537242
Energy: 1.483922607970636
Energy: 1.4861844506916746
Energy: 1.483922607970636
Energy: 1.945535481690182
Energy: 1.4873830608607326
Energy: 1.4905076297943656
Energy: 1.487383060860034
Energy: 1.4631592010773486
Energy: 1.4851475812937114
Energy: 1.4908252090335408
Energy: 1.4851475812937114
Energy: 1.5027526464519583
Energy: 1.705493864936352
Energy: 1.7309401727828149
Energy: 1.705493864936352
Energy: 1.4832796819109737
Energy: 1.4845146004820509
Energy: 1.9240131914465044
Energy: 1.4845146004820509
Energy: 1.533290187963891
Energy: 1.4890494347031984
Energy: 1.6878794073242136
Energy: 1.4890494347031984
Energy: 1.4856839276304623
Energy: 1.4856228359314703
Energy: 1.4602241295032026
Energy: 1.485622835932169
Energy: 1.7368286597219986
Energy: 1.4885509336245346
Energy: 1.525189381227045
Energy: 1.4885509336252332
Energy: 1.7327538929613437
Energy: 1.4930153879212331
Energy: 1.9498801218860662
Energy: 1.493015387928219
Energy: 1.6832456017890658
Energy: 1.5691505735542264
Energy: 1.9500163722362371
Energy: 1.5691505735535278
Energy: 1.7196965011466265
Energy: 1.4666364003649814
Energy: 1.6639789334281425
Energy: 1.4666364003642829
Energy: 1.6818304813525
Energy: 1.4623801980272468
Energy: 1.4630629229172845
Energy: 1.4623801980272468
Energy: 1.72764368625978
Energy: 1.4643899961608613
Energy: 1.4692479056986694
Energy: 1.46438999616156
Energy: 1.4659974013043455
Energy: 1.4672537430241681
Energy: 1.4717860898136697
Energy: 1.4672537430234696
Energy: 1.688893724896162
Energy: 1.468256008733094
Energy: 1.924462097064037
Energy: 1.4682560087323953
Energy: 1.6973988280622656
Energy: 1.572669956816967
Energy: 1.7240662745513737
Energy: 1.572669956816967
Energy: 1.5011607261289235
Energy: 1.4831902526761522
Energy: 1.6668181367247603
Energy: 1.4831902526761522
Energy: 1.6841530622938816
Energy: 1.4836284753741815
Energy: 1.677193135487268
Energy: 1.4836284753741815
Energy: 1.483683977786291
Energy: 1.4825896652954522
Energy: 1.6760864047648232
Energy: 1.4825896652947534
Energy: 1.482733837702977
Energy: 1.482460991753888
Energy: 1.4870319099041298
Energy: 1.4824609917545868
Energy: 1.4959144512782399
Energy: 1.4876129454915281
Energy: 1.9459452483775523
Energy: 1.4876129454922267
Energy: 1.4933068655642738
Energy: 1.543581563333892
Energy: 1.96233792026754
Energy: 1.543581563333892
Energy: 2.17299720885289
Energy: 1.493214120774795
Energy: 1.528133085979729
Energy: 1.493214120774795
Energy: 1.9235897468882153
Energy: 1.482752928312621
Energy: 1.4843983434724843
Energy: 1.482752928312621
Energy: 1.920840435076675
Energy: 1.5042249133409857
Energy: 1.484682730184793
Energy: 1.5042249133409857

minimum gb energy = 1.4602241295032026 eV
minimum distance =  2.21416202078972 Angstroms
sigma value = 89


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

Energy: 2.5270122037428164
Energy: 1.3648526268963308
Energy: 1.368367019549334
Energy: 1.400971769252604
Energy: 1.362373793131255
Energy: 1.5000440017499992
Energy: 1.3635091172642064
Energy: 1.5000440017499992
Energy: 1.3486498423568705
Energy: 1.501364222646015
Energy: 1.3899758040741719
Energy: 1.501364222646015
Energy: 1.3492434570898753
Energy: 1.5031600789564106
Energy: 1.3602330982870918
Energy: 1.5031600789564106
Energy: 1.3571303907177228
Energy: 1.358582056968937
Energy: 1.3795609124960881
Energy: 1.358582056968937
Energy: 1.3580534131091624
Energy: 1.3566539853117494
Energy: 1.3777049310390093
Energy: 1.3566539853117494
Energy: 1.3569936310973838
Energy: 1.3553779566333608
Energy: 1.360454138913979
Energy: 1.3553779566333608
Energy: 1.3644294678722158
Energy: 1.3639390925634984
Energy: 1.347031492150009
Energy: 1.3639390925616706
Energy: 1.362513932648998
Energy: 1.3637438150637993
Energy: 1.3625228314043274
Energy: 1.3637438150637993
Energy: 1.3877411600955871
Energy: 1.504842894814496
Energy: 1.385432893183786
Energy: 1.504842894814496
Energy: 1.3598854195138412
Energy: 1.5061632744005706
Energy: 1.3447400551719497
Energy: 1.5061632744005706
Energy: 1.377141615912223
Energy: 1.3625941560750179
Energy: 1.3600337199404064
Energy: 1.3625941560750179
Energy: 1.380378921376912
Energy: 1.3611438490032235
Energy: 1.356635362985701
Energy: 1.3611438490032235
Energy: 1.3626188615725419
Energy: 1.354633549655517
Energy: 1.3556902549713608
Energy: 1.354633549655517
Energy: 1.3467326201705012
Energy: 1.3596882149293468
Energy: 1.3613982749783804
Energy: 1.3596882149293468

minimum gb energy = 1.3447400551719497 eV
minimum distance =  2.23851016799469 Angstroms
sigma value = 13


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

Energy: 2.3716090705555617
Energy: 1.2823520046168682
Energy: 1.6438977725366415
Energy: 1.2891746529822783
Energy: 1.5234053978682347
Energy: 1.2814808979255023
Energy: 1.5499787391968944
Energy: 1.2814808979255023
Energy: 1.3967543946555978
Energy: 1.2762458486076305
Energy: 1.5325178973203162
Energy: 1.2762458486076305
Energy: 1.8807574673741105
Energy: 1.2828646633124603
Energy: 1.506361128676475
Energy: 1.2828646633124603
Energy: 1.513980236975196
Energy: 1.5437827657887828
Energy: 2.064641574741934
Energy: 1.5437827657887828
Energy: 1.5372066073257593
Energy: 1.2814035217452233
Energy: 2.058548332480943
Energy: 1.2814035217444573
Energy: 1.5320541043067724
Energy: 1.279153753889764
Energy: 1.5024153464779528
Energy: 1.279153753889764
Energy: 1.4777186960263917
Energy: 1.2822836135371256
Energy: 1.6033806754462399
Energy: 1.2822836135363596
Energy: 1.3011832569803803
Energy: 1.2837781814511664
Energy: 1.9689034417543516
Energy: 1.2837781814511664
Energy: 1.2818971404936135
Energy: 1.2789830668061184
Energy: 1.7682681926310782
Energy: 1.2789830668061184
Energy: 1.2799467310932051
Energy: 1.2908098546986873
Energy: 2.373239201372673
Energy: 1.2908098546979212
Energy: 1.9465494494556963
Energy: 1.2792019191423212
Energy: 1.7684616594718883
Energy: 1.2792019191423212
Energy: 1.9607606778230031
Energy: 1.5461278253575537
Energy: 1.8615590654324137
Energy: 1.5461278253575537
Energy: 1.2841328089948492
Energy: 1.5453844584434522
Energy: 1.8817996437522688
Energy: 1.5453844584434522
Energy: 1.6038739239143034
Energy: 1.26641013401254
Energy: 1.5021014096235477
Energy: 1.26641013401254
Energy: 1.6037386794165152
Energy: 1.2639563313080724
Energy: 1.3961632935163435
Energy: 1.2639563313080724
Energy: 1.2792009124529682
Energy: 1.26210912916922
Energy: 1.39144311213995
Energy: 1.2621091291699862
Energy: 2.126628970731961
Energy: 1.2690307193880623
Energy: 1.3899355846173784
Energy: 1.269030719387296
Energy: 1.737165648070567
Energy: 1.2677317565341535
Energy: 1.6054186144750988
Energy: 1.2677317565341535
Energy: 1.2773769658013139
Energy: 1.2659524724215494
Energy: 1.6470641154201544
Energy: 1.2659524724223155
Energy: 1.8834827327239074
Energy: 1.2728912575891642
Energy: 1.606279649910012
Energy: 1.2728912575899305
Energy: 1.2768436134831163
Energy: 1.5528866510474424
Energy: 2.0569249444093693
Energy: 1.5528866510466761
Energy: 1.521828697114435
Energy: 1.283719037673542
Energy: 2.0624190375648017
Energy: 1.283719037673542
Energy: 1.3983945141967111
Energy: 1.2788222860815344
Energy: 1.506448917161948
Energy: 1.2788222860777037
Energy: 1.2774411751465409
Energy: 1.2793406797432072
Energy: 1.602926606255244
Energy: 1.2793406797439735
Energy: 1.2790511094370753
Energy: 1.3093413419677358
Energy: 1.6036044454927807
Energy: 1.3093413419677358
Energy: 1.276350436318478
Energy: 1.2764436235873713
Energy: 1.5068937157355844
Energy: 1.2764436235873713
Energy: 1.3112548446682324
Energy: 1.2867089755574836
Energy: 1.8147293662710353
Energy: 1.2867089755574836
Energy: 1.5223495478292728
Energy: 1.282210906896886
Energy: 1.6097454919541703
Energy: 1.2822109068976524
Energy: 1.640890880775839
Energy: 1.3685303788627738
Energy: 1.758413611451738
Energy: 1.36853037886354
Energy: 1.7805418328001534
Energy: 1.3750942845244685
Energy: 1.88595295470562
Energy: 1.3750942845237024
Energy: 1.6033908608590224
Energy: 1.2772322249688326
Energy: 1.756932280161758
Energy: 1.2772322249688326
Energy: 1.6034538969203258
Energy: 1.2804895537955485
Energy: 1.3006476155582956
Energy: 1.2804895537955485
Energy: 1.7807269373757066
Energy: 1.2736464802944683
Energy: 1.2742108646122512
Energy: 1.2736464802944683
Energy: 1.6078397725677358
Energy: 1.2772440265531533
Energy: 1.2831424002221263
Energy: 1.2772440265531533

minimum gb energy = 1.26210912916922 eV
minimum distance =  2.22700665855759 Angstroms
sigma value = 37


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

Energy: 1.9873731427003143
Energy: 1.155126933655706
Energy: 1.1615825524372208
Energy: 1.2104936454102844
Energy: 1.9391367916294588
Energy: 1.155295497083585
Energy: 1.5451143370087248
Energy: 1.155295497083585
Energy: 1.9292864159269087
Energy: 1.1534460194896583
Energy: 1.5550272431080496
Energy: 1.1534460194896583
Energy: 1.929017714902663
Energy: 1.3104805938231385
Energy: 1.5492820691914329
Energy: 1.3104805938231385
Energy: 1.9360466388894093
Energy: 1.3084787837874654
Energy: 1.5512400267941993
Energy: 1.3084787837874654
Energy: 1.1487877564573448
Energy: 1.1569959354418287
Energy: 1.8057885262744016
Energy: 1.156995935444465
Energy: 1.155045577810898
Energy: 1.1521777425540696
Energy: 1.9372997323794234
Energy: 1.1521777425540696
Energy: 1.1677810246266398
Energy: 1.1548449926524473
Energy: 1.927468201845368
Energy: 1.1548449926511293
Energy: 1.1525821466791943
Energy: 1.1597103868548364
Energy: 1.927025568028925
Energy: 1.1597103868548364
Energy: 1.1522003056941779
Energy: 1.1551973210227793
Energy: 1.9268776697216585
Energy: 1.1551973210227793
Energy: 1.1615825498165915
Energy: 1.2104936454102844
Energy: 1.9873731427003143
Energy: 1.1551269337953698
Energy: 1.5451143370087248
Energy: 1.155295497083585
Energy: 1.9391367916294588
Energy: 1.155295497083585
Energy: 1.5550272431080496
Energy: 1.1534460194896583
Energy: 1.9292864159269087
Energy: 1.1534460194896583
Energy: 1.5492820691914329
Energy: 1.3104805938231385
Energy: 1.929017714903981
Energy: 1.3104805938231385
Energy: 1.5512400267941993
Energy: 1.3084787837874654
Energy: 1.9360466388894093
Energy: 1.3084787837874654
Energy: 1.9400901285823087
Energy: 1.156995935444465
Energy: 1.1487877564573448
Energy: 1.1569959354431467
Energy: 1.9372997323807417
Energy: 1.1521777425540696
Energy: 1.155045577810898
Energy: 1.1521777425540696
Energy: 1.927468201845368
Energy: 1.1548449926524473
Energy: 1.1677810246253217
Energy: 1.1548449926524473
Energy: 1.9270255680328792
Energy: 1.1597103868548364
Energy: 1.1525821466791943
Energy: 1.1597103868548364
Energy: 1.9268776697216585
Energy: 1.1551973210227793
Energy: 1.1522003056941779
Energy: 1.1551973210227793

minimum gb energy = 1.1487877564573448 eV
minimum distance =  2.23937961548918 Angstroms
sigma value = 25


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

Energy: 2.3121786373488957
Energy: 1.0199200245134588
Energy: 1.0211745798064389
Energy: 1.0635444915127463
Energy: 2.137418880910646
Energy: 1.01544945190008
Energy: 1.3364641189449848
Energy: 1.01544945190008
Energy: 2.1317499924920744
Energy: 1.0139459593021294
Energy: 1.3431044806392234
Energy: 1.0139459593021294
Energy: 1.6592207619183585
Energy: 1.0254977827980118
Energy: 1.3358335287198428
Energy: 1.0254977827980118
Energy: 1.8967490565803231
Energy: 1.1370228129736082
Energy: 1.8963769704945963
Energy: 1.1370228129736082
Energy: 1.6640754139101455
Energy: 1.1346970065265733
Energy: 1.8995987735115287
Energy: 1.1346970065265733
Energy: 1.6646044980161174
Energy: 1.1371905180015789
Energy: 1.8971793622180426
Energy: 1.1371905180097666
Energy: 1.3365558688462174
Energy: 1.0258366523864593
Energy: 1.900290451892819
Energy: 1.0258366523864593
Energy: 1.341673600883566
Energy: 1.0138495691853755
Energy: 2.1360650163553117
Energy: 1.0138495691853755
Energy: 1.342285156234523
Energy: 1.0155886081030399
Energy: 2.138068486042093
Energy: 1.0155886081030399
Energy: 1.0155187366117542
Energy: 1.0232851569915105
Energy: 1.9847785633890411
Energy: 1.0232851569915105
Energy: 1.0198566183947533
Energy: 1.0154651365924139
Energy: 2.13690010867452
Energy: 1.0154651365924139
Energy: 1.016327318431311
Energy: 1.01940895166303
Energy: 2.1281333609253266
Energy: 1.01940895166303
Energy: 1.0346131435565702
Energy: 1.014068755975407
Energy: 2.1245295046974753
Energy: 1.0140687559743773
Energy: 1.3416416142901995
Energy: 1.0133066504720691
Energy: 2.1333450573615407
Energy: 1.0133066504720691
Energy: 1.3423116389975513
Energy: 1.0167129023034644
Energy: 2.138782638383055
Energy: 1.0167129023034644
Energy: 1.6705727496504217
Energy: 1.0201611814626688
Energy: 2.1276621117925063
Energy: 1.0201611814626688
Energy: 1.336213796001631
Energy: 1.1428297092680626
Energy: 1.9007372233094042
Energy: 1.1428297092680626
Energy: 1.898415731675067
Energy: 1.1363198475691731
Energy: 1.6650817897838663
Energy: 1.1363198475691731
Energy: 2.138599245020849
Energy: 1.1357474055745351
Energy: 1.6647584188212294
Energy: 1.1357474055755645
Energy: 1.9864461437517968
Energy: 1.0221137428958944
Energy: 1.3435042217179523
Energy: 1.0221137428958944
Energy: 2.1377384033018343
Energy: 1.0123277429013982
Energy: 1.0147365531960009
Energy: 1.0123277429013982
Energy: 2.136139918155159
Energy: 1.0191151685787432
Energy: 1.3346713016197627
Energy: 1.0191151685787432
Energy: 1.9029853543768565
Energy: 1.0260224527388881
Energy: 1.0155355930926793
Energy: 1.0260224527388881
Energy: 2.1341939090065454
Energy: 1.0139370915971007
Energy: 1.0142202305000014
Energy: 1.0139370915971007
Energy: 2.122810376111811
Energy: 1.0171441458498771
Energy: 1.0219519376695008
Energy: 1.0171441458498771

minimum gb energy = 1.0123277429013982 eV
minimum distance =  2.23976769246514 Angstroms
sigma value = 41


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

Energy: 2.5066498033469506
Energy: 0.9181996510577476
Energy: 1.3608185366510714
Energy: 0.9316557474456119
Energy: 2.256476155049918
Energy: 0.916342887278489
Energy: 1.181712677169372
Energy: 0.916342887278489
Energy: 2.2583492386393833
Energy: 0.9146673959517481
Energy: 1.1873693353596353
Energy: 0.9146673959525918
Energy: 1.8813781173096364
Energy: 0.9239391971131402
Energy: 1.4671036259123815
Energy: 0.9239391971131402
Energy: 2.0690231931706085
Energy: 0.910408361802919
Energy: 1.6645778493486576
Energy: 0.910408361802919
Energy: 1.8708231683080574
Energy: 0.9140787110893623
Energy: 1.6635781085644796
Energy: 0.9140787110893623
Energy: 1.8773622268655639
Energy: 1.0160285769637543
Energy: 1.8792939259935713
Energy: 1.0160285769671298
Energy: 1.6725795943531696
Energy: 1.019202398991442
Energy: 1.6642014700581407
Energy: 1.0192023989905983
Energy: 1.449686745370723
Energy: 0.9129857212281324
Energy: 2.0642978664139884
Energy: 0.9129857212281324
Energy: 1.4547404756230344
Energy: 0.9110063066133629
Energy: 2.25739997210101
Energy: 0.9110063066133629
Energy: 1.1972598956149516
Energy: 0.9228869622346818
Energy: 2.058164472731815
Energy: 0.9228869622346818
Energy: 1.1795638254919767
Energy: 0.9123440589824818
Energy: 2.2586693350014286
Energy: 0.9123440589824818
Energy: 1.1903944719845445
Energy: 0.9164700203767231
Energy: 2.262132622149504
Energy: 0.9164700203767231
Energy: 0.9257259177515803
Energy: 0.9244058406842149
Energy: 2.0553850417436337
Energy: 0.9244058406842149
Energy: 0.9151267261996752
Energy: 0.9136281845282879
Energy: 2.2549490580228997
Energy: 0.9136281845274441
Energy: 0.9204460149380014
Energy: 0.9155951025101503
Energy: 2.259184902930998
Energy: 0.9155951025093064
Energy: 1.1912485858725261
Energy: 0.9198518251026316
Energy: 2.2453311205192286
Energy: 0.9198518251026316
Energy: 1.175560075862889
Energy: 0.9106258492921812
Energy: 2.253896999831534
Energy: 0.910625849293025
Energy: 1.1830174693957494
Energy: 0.9182316850227658
Energy: 1.8733345669483503
Energy: 0.9182316850236095
Energy: 1.6622505546453068
Energy: 0.915764417359564
Energy: 1.8710290611406684
Energy: 0.9157644173604078
Energy: 1.6673779213701063
Energy: 0.9121672555744937
Energy: 2.059584164558662
Energy: 0.9121672555744937
Energy: 1.6635653729675957
Energy: 1.0141359505753582
Energy: 1.8811657502545707
Energy: 1.0141359505745144
Energy: 2.0650869574972033
Energy: 1.011326245512925
Energy: 1.8673238648846613
Energy: 1.011326245512925
Energy: 1.6630913870765665
Energy: 1.0158211020603114
Energy: 1.6624177202971382
Energy: 1.0158211020603114
Energy: 2.0615918843332572
Energy: 0.9120964368715876
Energy: 1.436775287334133
Energy: 0.9120964368724314
Energy: 2.0645907488799695
Energy: 0.9150485739923704
Energy: 1.6595827080385515
Energy: 0.9150485739923704
Energy: 2.072149972184
Energy: 0.9192284644782209
Energy: 1.1952543441158063
Energy: 0.9192284644782209
Energy: 2.2536810795032816
Energy: 0.9116486783111836
Energy: 1.1750266108048901
Energy: 0.911648678314559
Energy: 2.070458606809052
Energy: 0.9189984843929156
Energy: 1.1896496070548788
Energy: 0.9189984843929156
Energy: 2.0649655509847493
Energy: 0.920872606090598
Energy: 0.9216487838861814
Energy: 0.920872606090598
Energy: 2.255647037778942
Energy: 0.9130729229688502
Energy: 0.9142646246351974
Energy: 0.9130729229680062
Energy: 2.246261199425595
Energy: 0.9233457297103965
Energy: 0.9121476221038501
Energy: 0.9233457297103965

minimum gb energy = 0.910408361802919 eV
minimum distance =  2.23787757529363 Angstroms
sigma value = 15


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

Energy: 2.174330095610334
Energy: 0.8452169337043545
Energy: 1.3012712362021743
Energy: 0.8543824593943374
Energy: 2.340845838747726
Energy: 0.8383645543653028
Energy: 1.0687005651387549
Energy: 0.8383645543645879
Energy: 2.339245252557213
Energy: 0.8367181149138382
Energy: 1.0669642460275097
Energy: 0.8367181149138382
Energy: 2.023362092435064
Energy: 0.8451793868885366
Energy: 1.494651151822611
Energy: 0.8451793868885366
Energy: 2.1760467690183942
Energy: 0.8338378052142246
Energy: 1.4814488283783505
Energy: 0.8338378052142246
Energy: 2.012923616915685
Energy: 0.8341010916354947
Energy: 1.4803583015193449
Energy: 0.8341010916362095
Energy: 1.6670754661688585
Energy: 0.8359883726233407
Energy: 1.838627580566395
Energy: 0.8359883726226258
Energy: 1.8446345855407624
Energy: 0.9259100574278122
Energy: 1.4833184391635401
Energy: 0.9259100574270973
Energy: 1.6661081335404133
Energy: 0.9191518776976806
Energy: 1.8350201408618816
Energy: 0.9191518776976806
Energy: 1.6636441578179857
Energy: 0.9189785558610869
Energy: 2.1704174950811805
Energy: 0.9189785559739708
Energy: 1.4904522314832676
Energy: 0.842774475818686
Energy: 1.8541648410866436
Energy: 0.842774475817971
Energy: 1.2820823253654365
Energy: 0.8319662441529578
Energy: 2.171209622421433
Energy: 0.8319662441529578
Energy: 1.481869103433598
Energy: 0.8359702779151984
Energy: 2.173486563347166
Energy: 0.8359702779159132
Energy: 1.0744532398866777
Energy: 0.844847152322506
Energy: 1.848336543721792
Energy: 0.844847152322506
Energy: 1.0585012296592378
Energy: 0.8333631742602067
Energy: 2.3350312382007066
Energy: 0.8333631742616365
Energy: 1.0734283809864902
Energy: 0.8415123785478265
Energy: 2.178918541428405
Energy: 0.8415123785478265
Energy: 0.8465380435815512
Energy: 0.8421124937802662
Energy: 2.1843361955757024
Energy: 0.842112493780981
Energy: 0.833458855982436
Energy: 0.8334214786312265
Energy: 2.332736218936167
Energy: 0.8334214786312265
Energy: 0.8487548553340613
Energy: 0.8408911956130498
Energy: 2.016100373300898
Energy: 0.8408911956130498
Energy: 1.0741470696256827
Energy: 0.8385850316514937
Energy: 2.342311518796327
Energy: 0.8385850316514937
Energy: 1.054476289517655
Energy: 0.8335144398887478
Energy: 2.333401108431713
Energy: 0.8335144398887478
Energy: 1.0774047070280575
Energy: 0.8436267849489294
Energy: 2.0238877961300807
Energy: 0.8436267849489294
Energy: 1.480670367977438
Energy: 0.836892235835588
Energy: 2.0081801519364766
Energy: 0.8368922358398774
Energy: 1.4827600353962027
Energy: 0.8324905719695337
Energy: 2.172048302079005
Energy: 0.8324905719688187
Energy: 1.4928846431489151
Energy: 0.841367137321502
Energy: 1.678908857897208
Energy: 0.841367137321502
Energy: 1.8393497681500122
Energy: 0.9188073277053733
Energy: 2.169405041388253
Energy: 0.9188073277118071
Energy: 1.4774189480216922
Energy: 0.9193156432197487
Energy: 1.8379027747465029
Energy: 0.9193156432197487
Energy: 1.8461300501859021
Energy: 0.926285274480649
Energy: 1.6784623233280922
Energy: 0.9262852744799341
Energy: 1.8445431852895982
Energy: 0.8357637215390701
Energy: 1.8400369127640217
Energy: 0.8357637215376402
Energy: 1.8384958224878394
Energy: 0.8343228148286375
Energy: 1.4845938982265752
Energy: 0.8343228148286375
Energy: 2.1781784484942324
Energy: 0.8333986523622442
Energy: 1.2819549149564604
Energy: 0.8333986523629591
Energy: 1.8484639480535585
Energy: 0.8438012630073491
Energy: 1.4919737610972936
Energy: 0.8438012630066342
Energy: 2.1746472602148463
Energy: 0.8376474026410788
Energy: 1.0694440924870758
Energy: 0.8376474026410788
Energy: 2.3379212376353693
Energy: 0.8371243260991922
Energy: 1.0738907078348559
Energy: 0.8371243260977623
Energy: 2.167624418588319
Energy: 0.8448125468963134
Energy: 0.8554498833762234
Energy: 0.8448125468948837
Energy: 2.3389476583644
Energy: 0.8398150128585927
Energy: 0.8435955153677884
Energy: 0.8398150128585927
Energy: 2.3346670032101766
Energy: 0.8403282461416929
Energy: 0.8386661105416657
Energy: 0.8403282461416929

minimum gb energy = 0.8319662441529578 eV
minimum distance =  2.23400179074067 Angstroms
sigma value = 85


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

Energy: 2.310369253656202
Energy: 0.7500267541526194
Energy: 0.7503755920165267
Energy: 0.7759881716828683
Energy: 2.3776433894470546
Energy: 0.7525425899798133
Energy: 0.9564867907645421
Energy: 0.7525425899798133
Energy: 2.0919750301413753
Energy: 0.7519611710857288
Energy: 0.9560776120067457
Energy: 0.7519611710857288
Energy: 1.787686516389425
Energy: 0.7495358096752432
Energy: 1.324403120219362
Energy: 0.7495358096752432
Energy: 2.232542044127744
Energy: 0.7484451559416648
Energy: 1.3208609545934256
Energy: 0.7484451559416648
Energy: 1.7940555774523588
Energy: 0.7505802587658954
Energy: 1.3251285135264634
Energy: 0.7505802587652755
Energy: 1.7905053453043516
Energy: 0.752266434053923
Energy: 1.6449523482930803
Energy: 0.752266434053923
Energy: 1.9435705475091962
Energy: 0.7502407067662926
Energy: 1.3134766397812154
Energy: 0.7502407067656726
Energy: 1.800131195238697
Energy: 0.7500328923963956
Energy: 1.6396923056545414
Energy: 0.7500328923963956
Energy: 1.7978790946728818
Energy: 0.892245179484011
Energy: 1.94095788846283
Energy: 0.892245179483391
Energy: 1.6406435034178337
Energy: 0.891715346602013
Energy: 1.63823684754773
Energy: 0.891715346602013
Energy: 1.490108128469269
Energy: 0.7498786971955597
Energy: 1.9415929455045793
Energy: 0.7498786971949396
Energy: 1.6390429312774422
Energy: 0.7492514121951863
Energy: 1.9428035966110704
Energy: 0.7492514121945663
Energy: 1.324402188848109
Energy: 0.7541967789572583
Energy: 1.633918311802223
Energy: 0.7541967789578783
Energy: 1.1358494584264953
Energy: 0.7489445222680743
Energy: 2.229737692219303
Energy: 0.7489445222686942
Energy: 1.3272398482861794
Energy: 0.754227659852357
Energy: 1.9456462717527565
Energy: 0.754227659852977
Energy: 0.9591639288826153
Energy: 0.7491365772989221
Energy: 1.9400484436948924
Energy: 0.7491365772989221
Energy: 0.9445116687251758
Energy: 0.7489852352807566
Energy: 2.3723599562182716
Energy: 0.7489852352807566
Energy: 0.9547848524457306
Energy: 0.7491794332660958
Energy: 2.228281352328669
Energy: 0.7491794332660958
Energy: 0.7501653058245339
Energy: 0.7490470244809773
Energy: 2.22815669624438
Energy: 0.7490470244809773
Energy: 0.7503524129635644
Energy: 0.7494781719268354
Energy: 2.37435333098403
Energy: 0.7494781719268354
Energy: 0.7495233350235776
Energy: 0.7495389248151225
Energy: 2.0871036643905585
Energy: 0.7495389248163626
Energy: 0.9606139236595046
Energy: 0.7498662194495903
Energy: 2.3669328759811474
Energy: 0.7498662194495903
Energy: 0.9481890546489343
Energy: 0.7491825102120656
Energy: 2.3761194845531537
Energy: 0.7491825102120656
Energy: 0.9554775038473522
Energy: 0.7497820902583121
Energy: 1.788007155555017
Energy: 0.7497820902583121
Energy: 1.3236212146468669
Energy: 0.7501156165812178
Energy: 2.370850293578731
Energy: 0.7501156165805979
Energy: 1.3221280013572363
Energy: 0.749020999312724
Energy: 2.090660519565092
Energy: 0.749020999312724
Energy: 1.5034737069887962
Energy: 0.7554022114420199
Energy: 1.7915954296966257
Energy: 0.7554022114420199
Energy: 1.6454918271463579
Energy: 0.7491091289469651
Energy: 2.096899102043442
Energy: 0.7491091289469651
Energy: 1.6412811404939285
Energy: 0.7498666363181852
Energy: 1.7936067561870566
Energy: 0.7498666363175651
Energy: 1.9456273564043716
Energy: 0.8928526118966817
Energy: 1.4846898646166877
Energy: 0.8928526119022335
Energy: 1.6381961394519966
Energy: 0.8926623959637758
Energy: 1.804639836543129
Energy: 0.8926623959637758
Energy: 1.9439021130483587
Energy: 0.7500002925732444
Energy: 1.4845363476860465
Energy: 0.7500002925571524
Energy: 2.1009195773254135
Energy: 0.7508273215140884
Energy: 1.4867446455732447
Energy: 0.7508273215153284
Energy: 1.6340093208745394
Energy: 0.7511389010495354
Energy: 1.32433999858553
Energy: 0.7511389010501553
Energy: 2.233969380555365
Energy: 0.7489460680256802
Energy: 1.319481959188493
Energy: 0.7489460680256802
Energy: 2.233254958131875
Energy: 0.7505170652997869
Energy: 1.324877981037708
Energy: 0.7505170653004068
Energy: 1.9404753193436433
Energy: 0.7493448073041677
Energy: 0.9560086697375089
Energy: 0.7493448073041677
Energy: 2.3760859220556023
Energy: 0.7488549886481027
Energy: 0.947322699406223
Energy: 0.7488549886487228
Energy: 2.228315811218063
Energy: 0.7495983439107193
Energy: 0.9598262718012138
Energy: 0.7495983439107193
Energy: 1.9362632428034652
Energy: 0.750174755651958
Energy: 0.750229227337876
Energy: 0.750174755651958
Energy: 2.373201477563734
Energy: 0.7490287640617718
Energy: 0.7495708015339734
Energy: 0.7490287640617718
Energy: 2.086358394874751
Energy: 0.7499010841243152
Energy: 0.7496235331169515
Energy: 0.7499010841243152

minimum gb energy = 0.7484451559416648 eV
minimum distance =  2.23329464612848 Angstroms
sigma value = 113


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

Energy: 0.020883323691885412
Energy: 0.7099980528639488
Energy: 1.803015381014517
Energy: 0.022258321896831294
Energy: 1.2653015900049704
Energy: 0.18578304400763007
Energy: 1.268207975957808
Energy: 0.18578304400763007
Energy: 0.021728803723447817
Energy: 0.18339352780166707
Energy: 1.2660993222912877
Energy: 0.18339352780166707
Energy: 0.023645075542040546
Energy: 0.18626383589634965
Energy: 1.272933935145127
Energy: 0.18626383589682627
Energy: 1.2694014107340668
Energy: 0.185319574649175
Energy: 1.2712753187274117
Energy: 0.185319574649175
Energy: 0.021725244738818563
Energy: 0.18315533112956753
Energy: 1.265805449013362
Energy: 0.1831553311290909

minimum gb energy = 0.020883323691885412 eV
minimum distance =  2.43135014403022 Angstroms
sigma value = 1