Model name: model_name=MEAM_LAMMPS_ShimKoKim_2013_NiVH__MO_612225165948_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=3.521391749382019
cohesive_energy=4.450350014972497
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018148565539053106
Energy: 0.018406585514883257
Energy: 1.466939784879958
Energy: 0.018406585514883257
Energy: 0.018406585514883257
Energy: 1.2243224923350222
Energy: 0.018406585514883257
Energy: 1.2243224923350222
Energy: 1.466939784880619
Energy: 0.018406585515544263
Energy: 0.018148565539053106
Energy: 0.018406585514883257
Energy: 0.018406585514883257
Energy: 1.2243224923350222
Energy: 0.018406585515544263
Energy: 1.2243224923356466

minimum gb energy = 0.018148565539053106 eV
minimum distance =  2.42645588159877 Angstroms
sigma value = 1


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

Energy: 1.5683744984495784
Energy: 1.5483819243751475
Energy: 1.4556524777626416
Energy: 1.5483819243751475
Energy: 1.4453932683254722
Energy: 1.4949964412292958
Energy: 1.4530603991331001
Energy: 1.4949964412300973
Energy: 1.4030944035536494
Energy: 1.534489960188593
Energy: 1.4888404078702642
Energy: 1.534489960188593
Energy: 1.436981191301302
Energy: 1.5070896318202123
Energy: 1.4015868275804246
Energy: 1.5070896318202123
Energy: 1.4090120305968912
Energy: 1.5545792213811263
Energy: 1.47025160827713
Energy: 1.5545792213811263
Energy: 1.3783703615448415
Energy: 1.7187176859289988
Energy: 1.3768946606466168
Energy: 1.7187176859298003
Energy: 1.4493612069100514
Energy: 1.531942341800161
Energy: 1.380042115543189
Energy: 1.5319423418009623
Energy: 1.3209163222896665
Energy: 1.5576026898332425
Energy: 1.3764597957924012
Energy: 1.5576026898324407
Energy: 1.4007424475084447
Energy: 1.7368711774104784
Energy: 1.4607718911592933
Energy: 1.736871177408875
Energy: 1.3650386564427095
Energy: 1.5331798816460331
Energy: 1.3130211539844587
Energy: 1.5331798816452316
Energy: 1.473113505357294
Energy: 1.5133830401682948
Energy: 1.400700794284278
Energy: 1.5133830401682948
Energy: 1.4634892604513918
Energy: 1.5548746439625039
Energy: 1.3808461938741674
Energy: 1.5548746439625039
Energy: 1.4509515765002936
Energy: 1.5305706485766497
Energy: 1.4479465310983932
Energy: 1.5305706485766497
Energy: 1.4173378890187815
Energy: 1.539254290873193
Energy: 1.389779041567137
Energy: 1.5392542908739946
Energy: 1.431008226715104
Energy: 1.5493625768882608
Energy: 1.4450662198769053
Energy: 1.5493625768882608
Energy: 1.4291572421808796
Energy: 1.5488518151340918
Energy: 1.444485650606858
Energy: 1.5488518151340918
Energy: 1.4890340758075045
Energy: 1.5344885882762818
Energy: 1.3589404376442962
Energy: 1.5344885882770836
Energy: 1.4530451638349113
Energy: 1.5033842672186646
Energy: 1.4838698610838321
Energy: 1.5033842672178628
Energy: 1.3348994018749034
Energy: 1.554158247416706
Energy: 1.3792852433186702
Energy: 1.554158247416706
Energy: 1.4836355418777896
Energy: 1.7155849498368907
Energy: 1.4031616587025566
Energy: 1.7155849498368907
Energy: 1.3799012810587628
Energy: 1.5345829672959939
Energy: 1.3259029255750747
Energy: 1.534582967295192
Energy: 1.4010606126197305
Energy: 1.4249438303869575
Energy: 1.4628028213516684
Energy: 1.4249438303869575
Energy: 1.4312421776914075
Energy: 1.554558737261717
Energy: 1.3634002207452207
Energy: 1.5545587372625185
Energy: 1.413805020493764
Energy: 1.5303574694129516
Energy: 1.3783114858188803
Energy: 1.5303574694137532
Energy: 1.3800335190895028
Energy: 1.718929724194873
Energy: 1.4481612473225316
Energy: 1.7189297241924684
Energy: 1.4057815322639724
Energy: 1.5554656509752967
Energy: 1.3946191455438437
Energy: 1.5554656509752967
Energy: 1.4406100631800705
Energy: 1.747220524644516
Energy: 1.400632410065711
Energy: 1.7472205246437142
Energy: 1.3913215489866728
Energy: 1.530551831271688
Energy: 1.5459737124509751
Energy: 1.5305518312724897
Energy: 1.4442180450206423
Energy: 1.4913175433341415
Energy: 1.4477506347861337
Energy: 1.4913175433333399
Energy: 1.5149463470201578
Energy: 1.5500401903139922
Energy: 1.4633186673060548
Energy: 1.5500401903131906
Energy: 1.4494459499403987
Energy: 1.5378103680269037
Energy: 1.4509157492179434
Energy: 1.5378103680277053
Energy: 1.4157041272167095
Energy: 1.5297195142134121
Energy: 1.4168199141073554
Energy: 1.5297195142126105
Energy: 1.4087974460769743
Energy: 1.507698180848183
Energy: 1.4060192106147913
Energy: 1.5076981808465797

minimum gb energy = 1.3130211539844587 eV
minimum distance =  2.24139114736339 Angstroms
sigma value = 1


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

Energy: 1.6646027336250238
Energy: 1.6474131390331004
Energy: 1.5480388258543016
Energy: 1.6474131390331004
Energy: 1.4951040842914674
Energy: 1.5878703361266344
Energy: 1.5109142431210956
Energy: 1.5878703361257203
Energy: 1.4562682229751664
Energy: 1.650560431684021
Energy: 1.5317116947673248
Energy: 1.6505604316794509
Energy: 1.4486939391352323
Energy: 1.4632467607263167
Energy: 1.4332326479776534
Energy: 1.4632467607272308
Energy: 1.4487861029093778
Energy: 1.619860354981949
Energy: 1.5048672254015314
Energy: 1.619860354983777
Energy: 1.5505697758651518
Energy: 1.6199944032600928
Energy: 1.5320778790336074
Energy: 1.619994403258265
Energy: 1.495072713070114
Energy: 1.4636748641805137
Energy: 1.452868122195324
Energy: 1.4636748641805137
Energy: 1.3669818575609989
Energy: 1.6511040535595571
Energy: 1.4208448914924776
Energy: 1.6511040535604709
Energy: 1.4493798513245422
Energy: 2.0806153523220376
Energy: 1.5504678811292716
Energy: 2.080615352322952
Energy: 1.437374194006273
Energy: 1.6506378688528844
Energy: 1.5061610147355788
Energy: 1.6506378688528844
Energy: 1.4962266176731496
Energy: 1.5678214641196198
Energy: 1.518097550434474
Energy: 1.5678214641196198
Energy: 1.4093970193469796
Energy: 1.6319526118006629
Energy: 1.4787034191204222
Energy: 1.6319526118015768
Energy: 1.5349528821588505
Energy: 1.6144943356930679
Energy: 1.500773829444293
Energy: 1.614494335694896
Energy: 1.5348721480069223
Energy: 1.6145176710974773
Energy: 1.4600981568646976
Energy: 1.6145176710993054
Energy: 1.4092334768181969
Energy: 1.6319333047602118
Energy: 1.5734564905765906
Energy: 1.63193330476204
Energy: 1.49608694139006
Energy: 1.5676730526174054
Energy: 1.510767136692782
Energy: 1.5676730526174054
Energy: 1.4376127759007162
Energy: 1.6503680242281777
Energy: 1.3902443513862546
Energy: 1.6503680242281777
Energy: 1.4495433368294817
Energy: 2.0806725513083686
Energy: 1.5503690687478218
Energy: 2.0806725513065407
Energy: 1.3669636651576966
Energy: 1.6504177444525658
Energy: 1.4208942216915947
Energy: 1.650417744451652
Energy: 1.4950273780503458
Energy: 1.463496137169942
Energy: 1.4330130389811488
Energy: 1.463496137169942
Energy: 1.5504793389925253
Energy: 1.6200183584480157
Energy: 1.4027815034128055
Energy: 1.620018358450758
Energy: 1.4490252506076686
Energy: 1.6198867779110409
Energy: 1.5061900206494927
Energy: 1.619886777912869
Energy: 1.4488543691160973
Energy: 1.4631848541804346
Energy: 1.430319177600134
Energy: 1.4631848541804346
Energy: 1.4562760417971763
Energy: 1.6505789071162351
Energy: 1.5765102227212364
Energy: 1.650578907117149
Energy: 1.495255244908246
Energy: 1.5937175950877032
Energy: 1.5106746961261104
Energy: 1.593717595084047
Energy: 1.6646027336231957
Energy: 1.6474131390331004
Energy: 1.5480388258543016
Energy: 1.6474131390331004
Energy: 1.4951040842914674
Energy: 1.5878703361257203
Energy: 1.5109142431210956
Energy: 1.5878703361266344
Energy: 1.4562682229760806
Energy: 1.650560431684021
Energy: 1.4788969452269205
Energy: 1.650560431680365
Energy: 1.4486939391361462
Energy: 1.4632467607254027
Energy: 1.4332326479785673
Energy: 1.4632467607263167

minimum gb energy = 1.3669636651576966 eV
minimum distance =  2.23887868236077 Angstroms
sigma value = 25


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

Energy: 1.5624172038238406
Energy: 1.7144447588597918
Energy: 1.7057452511200546
Energy: 1.7144447588597918
Energy: 1.5882832047058175
Energy: 1.6419910479810695
Energy: 1.5242939636008435
Energy: 1.6419910479810695
Energy: 1.530479358867177
Energy: 1.7695207250177734
Energy: 1.531232486082246
Energy: 1.7695207250177734
Energy: 1.532801620953157
Energy: 1.5399609620446528
Energy: 1.4860537014471134
Energy: 1.5399609620446528
Energy: 1.4869625179823716
Energy: 1.7421513397686694
Energy: 1.5840041335426325
Energy: 1.742151339769732
Energy: 1.6386400199862627
Energy: 1.7677310597354263
Energy: 1.7469673000703911
Energy: 1.7677310597354263
Energy: 1.5862517497931918
Energy: 1.525217415934738
Energy: 1.524659745316102
Energy: 1.5252174159358005
Energy: 1.74527958303866
Energy: 1.7217105680000466
Energy: 1.4439328907108762
Energy: 1.7217105680011093
Energy: 1.5245279867679729
Energy: 1.6415012482876397
Energy: 1.586031337651405
Energy: 1.6415012482876397
Energy: 1.52678168709914
Energy: 1.768298897871535
Energy: 1.4762784274778569
Energy: 1.7682988978725978
Energy: 1.5833032781628351
Energy: 1.7120786260597214
Energy: 1.585983174009853
Energy: 1.7120786260597214
Energy: 1.5487312209582933
Energy: 1.71429505721847
Energy: 1.5230949276366341
Energy: 1.7142950572195328
Energy: 1.5309639028739854
Energy: 1.6616367200192996
Energy: 1.4743254448961303
Energy: 1.6616367200192996
Energy: 1.5241238625579336
Energy: 1.6301796378737434
Energy: 1.597910197744873
Energy: 1.6301796378737434
Energy: 1.5847925928379083
Energy: 1.7239184682817321
Energy: 1.4426127762980923
Energy: 1.7239184682806696
Energy: 1.5865803801469065
Energy: 1.5338475720086426
Energy: 1.4861217273234975
Energy: 1.5338475720086426
Energy: 1.4222994362351196
Energy: 1.7697339118363367
Energy: 1.4221444994974322
Energy: 1.7697339118363367
Energy: 1.4856473317223324
Energy: 1.6517137710177139
Energy: 1.58534655784282
Energy: 1.6517137710166514
Energy: 1.5177339850957463
Energy: 1.6725405657694616
Energy: 1.4867897496515148
Energy: 1.6725405657683992
Energy: 1.5984685041526618
Energy: 1.7673069075571721
Energy: 1.5329671166882646
Energy: 1.7673069075571721
Energy: 1.5341949408430848
Energy: 1.6411638621132392
Energy: 1.5232342992525802
Energy: 1.6411638621132392
Energy: 1.5636545398405082
Energy: 1.7156580055230104
Energy: 1.650006279800711
Energy: 1.7156580055219477
Energy: 1.5863835235862354
Energy: 1.6520850037793477
Energy: 1.5230956042729498
Energy: 1.6520850037793477
Energy: 1.5283418654803966
Energy: 1.7679308878926667
Energy: 1.5270293778275406
Energy: 1.7679308878926667
Energy: 1.5869106647883433
Energy: 1.539623083581108
Energy: 1.4870185725368792
Energy: 1.5396230835821707

minimum gb energy = 1.4221444994974322 eV
minimum distance =  2.23553491300243 Angstroms
sigma value = 9


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

Energy: 1.6298663608781538
Energy: 1.6301356837179943
Energy: 1.8793104769600937
Energy: 1.6301356837167265
Energy: 1.5688740106404053
Energy: 1.7266225140932037
Energy: 1.5892080507774864
Energy: 1.726622514091936
Energy: 1.6050805473595526
Energy: 1.6469661702944673
Energy: 1.622640077410163
Energy: 1.6469661702931997
Energy: 1.8990662332903774
Energy: 1.6144319143567785
Energy: 1.5197292990180784
Energy: 1.6144319143555108
Energy: 1.7338372563848807
Energy: 1.7277727683996176
Energy: 1.8787221581964448
Energy: 1.7277727684008852
Energy: 1.4686394143285013
Energy: 1.6459967652727014
Energy: 1.6404982513550073
Energy: 1.645996765273969
Energy: 1.5841648164146596
Energy: 1.5189140063908342
Energy: 1.5199490634638437
Energy: 1.5189140063908342
Energy: 1.6666387992215181
Energy: 1.645899557582379
Energy: 1.5021260450310288
Energy: 1.6458995575811115
Energy: 1.58501038739646
Energy: 1.7265418970057695
Energy: 1.6879279818325381
Energy: 1.726541897004502
Energy: 1.6231194342112536
Energy: 1.6307689871446365
Energy: 1.6408494290158988
Energy: 1.6307689871433693
Energy: 1.5284131486511932
Energy: 1.7432631859444438
Energy: 1.6055920737459293
Energy: 1.7432631859444438
Energy: 1.6247129309900217
Energy: 1.7165475945206128
Energy: 1.51991615358324
Energy: 1.7165475945218802
Energy: 1.4683452641157415
Energy: 1.6470672496618393
Energy: 1.6646545638492625
Energy: 1.6470672496630783
Energy: 1.6027328556583522
Energy: 1.6014961231713905
Energy: 1.5881958677395172
Energy: 1.601496123172658
Energy: 1.4683564999721437
Energy: 1.6470820712150605
Energy: 1.666950111490816
Energy: 1.647082071216328
Energy: 1.6248092540193086
Energy: 1.7164373449730512
Energy: 1.5201400170787904
Energy: 1.7164373449730512
Energy: 1.5286540207986805
Energy: 1.7432877381507332
Energy: 1.6200791921553357
Energy: 1.7432877381507332
Energy: 1.623153403114402
Energy: 1.630579747628375
Energy: 1.6410081457641155
Energy: 1.6305797476296426
Energy: 1.5848242262142325
Energy: 1.7269015376374797
Energy: 1.5893738570338871
Energy: 1.726901537636212
Energy: 1.6668186692418405
Energy: 1.6461422820991995
Energy: 1.5021221862530152
Energy: 1.646142282100467
Energy: 1.5840368403404337
Energy: 1.5190136003524488
Energy: 1.5201359019068095
Energy: 1.5190136003537165

minimum gb energy = 1.4683452641157415 eV
minimum distance =  2.32865479864654 Angstroms
sigma value = 25


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

Energy: 1.541357986359944
Energy: 1.8897323465723121
Energy: 1.742486250341551
Energy: 1.8897323465723121
Energy: 1.5136663775503665
Energy: 1.5554270318871912
Energy: 1.4939025763038922
Energy: 1.5554270318871912
Energy: 1.7040816335468618
Energy: 1.7958555981863564
Energy: 1.494285670368026
Energy: 1.7958555981847886
Energy: 1.5398764737954465
Energy: 1.778298709622119
Energy: 1.7532834107242685
Energy: 1.778298709622119
Energy: 1.7526526793339687
Energy: 1.5133367475676347
Energy: 1.4938117523751984
Energy: 1.5133367475676347
Energy: 1.4934140697375173
Energy: 1.7943779026269708
Energy: 1.702639020466126
Energy: 1.7943779026269708
Energy: 1.4951216801686376
Energy: 1.735056489206504
Energy: 1.4933546584333177
Energy: 1.735056489208071
Energy: 1.7325670975595828
Energy: 1.6297571924750702
Energy: 1.5403738480977656
Energy: 1.6297571924766376
Energy: 1.4941872486046042
Energy: 1.6329976294314175
Energy: 1.515941070161986
Energy: 1.6329976294314175
Energy: 1.7931351906153066
Energy: 1.6616499956720754
Energy: 1.702362316996437
Energy: 1.6616499956720754
Energy: 1.6473442464478996
Energy: 1.7774734757050832
Energy: 1.985852401835657
Energy: 1.7774734757050832
Energy: 1.4937686731881337
Energy: 1.5623149746035982
Energy: 1.793960674279214
Energy: 1.5623149746035982
Energy: 1.7423782344257908
Energy: 1.794901650295483
Energy: 1.4933201942958514
Energy: 1.794901650295483
Energy: 1.4940671947508446
Energy: 1.7599438009056656
Energy: 1.7501821818370913
Energy: 1.7599438009056656
Energy: 1.4936843293156021
Energy: 1.7573301645269126
Energy: 1.7325536715092091
Energy: 1.7573301645253447
Energy: 1.5133418029159669
Energy: 1.662093758184238
Energy: 1.4935156068553228
Energy: 1.662093758184238
Energy: 1.4934227491910275
Energy: 1.6379716906652344
Energy: 1.7934999464440253
Energy: 1.6379716906652344

minimum gb energy = 1.4933201942958514 eV
minimum distance =  2.32101767092929 Angstroms
sigma value = 17


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

Energy: 1.6731368389570789
Energy: 1.6736696101999318
Energy: 2.0283009408675907
Energy: 1.6736696101999318
Energy: 1.7634076960453426
Energy: 1.7048461671028066
Energy: 1.526763228282844
Energy: 1.7048461671028066
Energy: 1.935191886161886
Energy: 1.6648435341388987
Energy: 1.5254077121574035
Energy: 1.664843534138011
Energy: 1.5278616374106642
Energy: 1.8661125575344744
Energy: 1.6836222714648879
Energy: 1.8661125575344744
Energy: 1.8239211056400224
Energy: 1.6445521356990496
Energy: 1.6010371206084384
Energy: 1.6445521356990496
Energy: 1.544976610333672
Energy: 1.69656485240508
Energy: 1.902543532600586
Energy: 1.6965648524059678
Energy: 1.5278777688357255
Energy: 1.7024912121929474
Energy: 1.6149367594036281
Energy: 1.7024912121929474
Energy: 1.9341110983954994
Energy: 1.6953027600731487
Energy: 1.5430775854909526
Energy: 1.6953027600731487
Energy: 1.5442479648859122
Energy: 1.69822824311415
Energy: 1.8178749556753202
Energy: 1.6982282431159255
Energy: 1.9249792170593985
Energy: 1.6431289590356177
Energy: 1.5262104539060148
Energy: 1.6431289590356177
Energy: 1.531586365125881
Energy: 1.7083332856232956
Energy: 1.9316153221815349
Energy: 1.7083332856232956
Energy: 1.5446004447110224
Energy: 1.7004939694632129
Energy: 1.544775520815137
Energy: 1.7004939694632129
Energy: 1.7554285621655812
Energy: 1.6736293184515223
Energy: 1.6799355903464106
Energy: 1.6736293184515223
Energy: 1.5254934374662363
Energy: 1.7227609582635652
Energy: 1.7653992730371721
Energy: 1.722760958255575
Energy: 1.697203726925295
Energy: 1.7034161124313563
Energy: 1.5442546041415657
Energy: 1.703416112432244
Energy: 1.7595325554099412
Energy: 1.6948190033771726
Energy: 1.7941681369100746
Energy: 1.6948190033780604
Energy: 1.6142291892542904
Energy: 1.765089693949749
Energy: 1.9347078214118771
Energy: 1.7650896939506366
Energy: 1.8749503725800112
Energy: 1.66880653827461
Energy: 1.5447998403008105
Energy: 1.668806538273722
Energy: 1.69440381581015
Energy: 1.761699847523148
Energy: 1.6325814807245036
Energy: 1.76169984752226
Energy: 1.6133498979530045
Energy: 1.8670271268039953
Energy: 1.6629743925594853
Energy: 1.8670271268039953
Energy: 1.6587835935681385
Energy: 1.6637433739299543
Energy: 1.7885450057249672
Energy: 1.6637433739299543
Energy: 1.613522492324564
Energy: 1.8469721386319993
Energy: 1.9604010414005546
Energy: 1.8469721386319993
Energy: 1.8092190315562369
Energy: 1.6739938727377015
Energy: 1.5247885700114652
Energy: 1.6739938727403652
Energy: 1.5449023337718943
Energy: 1.7615744922248167
Energy: 1.915649557420145
Energy: 1.7615744922257046
Energy: 1.6418517500689505
Energy: 1.6640548167389826
Energy: 1.9201068970617388
Energy: 1.6640548167389826
Energy: 1.8101388902679372
Energy: 1.7087010197600334
Energy: 1.5268376696498662
Energy: 1.7087010197600334
Energy: 1.5674973740026419
Energy: 1.7742881490590532
Energy: 1.9916406298439084
Energy: 1.7742881490572775
Energy: 1.7564648677116699
Energy: 1.6951926460479982
Energy: 1.7902596647886442
Energy: 1.6951926460479982
Energy: 1.8993195968986492
Energy: 1.811373713257927
Energy: 1.5271863604558016
Energy: 1.8113737132588148
Energy: 1.5427091292882649
Energy: 1.759167212981345
Energy: 1.8736016499652801
Energy: 1.759167212981345

minimum gb energy = 1.5247885700114652 eV
minimum distance =  2.21524851294282 Angstroms
sigma value = 53


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

Energy: 1.4290676100644053
Energy: 1.4287346931329206
Energy: 1.972665726731145
Energy: 1.4287346931329206
Energy: 1.7944581033096847
Energy: 1.6216754185932196
Energy: 1.7908469283367914
Energy: 1.6216754185932196
Energy: 1.4606073958636403
Energy: 1.4286152109823813
Energy: 1.7673162635953747
Energy: 1.4286152109823813
Energy: 1.460714412907397
Energy: 1.4287140818425772
Energy: 1.6583429988770648
Energy: 1.4287140818446207
Energy: 1.794522893333449
Energy: 1.6216187514636748
Energy: 1.7358229368113587
Energy: 1.6216187514636748
Energy: 1.4290676100644053
Energy: 1.4287346931329206
Energy: 1.9726644894289393
Energy: 1.4287346931329206
Energy: 1.7944581033096847
Energy: 1.6216754185932196
Energy: 1.7908469283367914
Energy: 1.6216754185911757
Energy: 1.4606073958636403
Energy: 1.4286152109823813
Energy: 1.767316263593331
Energy: 1.4286152109823813
Energy: 1.460714412907397
Energy: 1.4287140818425772
Energy: 1.6313310067457947
Energy: 1.4287140818446207
Energy: 1.7945228933354924
Energy: 1.6216187514636748
Energy: 1.7301266175556047
Energy: 1.6216187514636748
Energy: 1.4290676100644053
Energy: 1.4287346931329206
Energy: 2.1463601105874193
Energy: 1.4287346931329206
Energy: 1.7944581033096847
Energy: 1.6216754185911757
Energy: 1.7908469283367914
Energy: 1.6216754185932196
Energy: 1.4606073958636403
Energy: 1.4286152109823813
Energy: 1.767316263593331
Energy: 1.4286152109823813

minimum gb energy = 1.4286152109823813 eV
minimum distance =  2.296321810716 Angstroms
sigma value = 9


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

Energy: 1.6368018048572397
Energy: 1.7981324671473693
Energy: 2.1954527956584
Energy: 1.7981324671511514
Energy: 1.9738079164327447
Energy: 1.723884598490757
Energy: 1.614612644851919
Energy: 1.723884598490757
Energy: 1.635049670865309
Energy: 1.5544272829897732
Energy: 1.5774647791452003
Energy: 1.5544272829920427
Energy: 1.8882920751937036
Energy: 1.8867038616924217
Energy: 1.6312796746386968
Energy: 1.8867038616931782
Energy: 1.9464092506796484
Energy: 1.6730808784408737
Energy: 1.6156612324834005
Energy: 1.6730808784408737
Energy: 1.617841777636341
Energy: 1.6197105163717274
Energy: 1.9129216606833632
Energy: 1.6197105163664325
Energy: 2.1742646296822388
Energy: 1.6398648252704418
Energy: 1.6473622772834378
Energy: 1.6398648252689287
Energy: 1.6465824492895114
Energy: 1.89576317789859
Energy: 1.818044639581046
Energy: 1.8957631779016155
Energy: 1.6388234833175308
Energy: 1.8928412751751298
Energy: 1.6175860867217096
Energy: 1.8928412751781554
Energy: 1.672927952867348
Energy: 1.7094706725765367
Energy: 1.6775209058342977
Energy: 1.709470672577293
Energy: 1.6310289976534973
Energy: 1.7600249653060507
Energy: 2.109553359293938
Energy: 1.760024965307564
Energy: 1.899795215334345
Energy: 1.7532109685880692
Energy: 1.6518069242600695
Energy: 1.7532109685903385
Energy: 1.6205680788150076
Energy: 1.6821531775463117
Energy: 1.9677158660323935
Energy: 1.6821531775463117
Energy: 1.8861633641071291
Energy: 1.7978771180350688
Energy: 1.5811056719731016
Energy: 1.7978771180350688
Energy: 1.6200904063356067
Energy: 1.7537627386198567
Energy: 1.8592365759723175
Energy: 1.7537627386191004
Energy: 1.624908520552806
Energy: 1.8913110492667304
Energy: 1.8477224317031806
Energy: 1.8913110492644611
Energy: 1.7557647427132002
Energy: 1.8603057995520533
Energy: 1.6213872965624485
Energy: 1.8603057995528098
Energy: 1.6317265351828731
Energy: 1.640231812001422
Energy: 1.9460203072813338
Energy: 1.6402318120021784
Energy: 1.9981593926152434
Energy: 1.745197153021971
Energy: 1.621678994498391
Energy: 1.7451971530227273
Energy: 1.6154510857156992
Energy: 1.6987187965328612
Energy: 1.8644976427755404
Energy: 1.698718796532105
Energy: 1.8258224192306627
Energy: 1.8842714133057046
Energy: 1.8383239707398111
Energy: 1.8842714133094867
Energy: 1.7656246110877778
Energy: 1.5804041870762437
Energy: 1.6426262834479721
Energy: 1.580404187077757
Energy: 1.617099197152806
Energy: 1.7120767790928024
Energy: 1.7224549740586772
Energy: 1.712076779093559
Energy: 2.076247723514897
Energy: 1.7592000697614327
Energy: 1.626565932782721
Energy: 1.7592000697599197
Energy: 1.6170940101339168
Energy: 1.7632483028315988
Energy: 2.0902411997334136
Energy: 1.7632483028293293
Energy: 1.7154988459353413
Energy: 1.5541485521861367
Energy: 1.6160977575366293
Energy: 1.554148552188406
Energy: 1.74606370950656
Energy: 1.8567776441267088
Energy: 1.8768578264824534
Energy: 1.8567776441267088
Energy: 1.6374720663057587
Energy: 1.82747537291551
Energy: 1.8879975206822928
Energy: 1.8274753729162665
Energy: 1.7302788374119014
Energy: 1.5529761646575382
Energy: 1.6146113512794549
Energy: 1.5529761646575382
Energy: 1.616602367263648
Energy: 1.7870379748023568
Energy: 2.0889251474179242
Energy: 1.787037974800844
Energy: 1.9874126206026226
Energy: 1.7204055161872183
Energy: 1.6250269401282291
Energy: 1.720405516185705
Energy: 1.619987056230598
Energy: 1.7069786047959863
Energy: 1.699934841929091
Energy: 1.7069786047952298
Energy: 1.6723968136526315
Energy: 1.7771523318526135
Energy: 1.642822941363113
Energy: 1.777152331851857
Energy: 1.8443760605694677
Energy: 1.9250537852517093
Energy: 1.8282452657064054
Energy: 1.9250537852532223
Energy: 1.6113168255205854
Energy: 1.966023353010614
Energy: 2.099960809263732
Energy: 1.966023353009101

minimum gb energy = 1.5529761646575382 eV
minimum distance =  2.23936044165523 Angstroms
sigma value = 73


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

Energy: 1.6672677265011313
Energy: 1.667313089871752
Energy: 2.0515955175348877
Energy: 1.667313089871752
Energy: 1.7137573288162922
Energy: 1.7038933153246372
Energy: 1.553409298405471
Energy: 1.7038933153246372
Energy: 1.6783884239130762
Energy: 1.6656667851301266
Energy: 1.590860162419881
Energy: 1.6656667851289262
Energy: 1.6868402224672827
Energy: 1.7995172036073894
Energy: 1.5986307150693817
Energy: 1.7995172036085896
Energy: 1.6952724196411244
Energy: 1.7215896111533193
Energy: 1.589534319860987
Energy: 1.721589611152119
Energy: 1.6295257108756978
Energy: 1.6003078397244943
Energy: 2.0992054669204228
Energy: 1.6003078397232942
Energy: 2.1736526987602933
Energy: 1.813628513627135
Energy: 1.6534687706766238
Energy: 1.813628513625935
Energy: 1.6588793206951558
Energy: 1.5530789457663958
Energy: 1.93143357621594
Energy: 1.5530789457651957
Energy: 2.096539860853097
Energy: 1.5534993949407232
Energy: 1.5535523231129007
Energy: 1.5534993949419234
Energy: 1.5539247146248396
Energy: 1.7753666378576112
Energy: 1.5526346646985925
Energy: 1.7753666378576112
Energy: 1.612241611285568
Energy: 1.5534321100035997
Energy: 1.9737823196043844
Energy: 1.5534321100035997
Energy: 1.7854732783735199
Energy: 1.7991966476599193
Energy: 1.6441727182747492
Energy: 1.799196647661092
Energy: 1.6277094192160946
Energy: 1.6759721174283846
Energy: 1.9101245302526264
Energy: 1.6759721174283846
Energy: 2.076782245908976
Energy: 1.7815944248975326
Energy: 1.6829488521705238
Energy: 1.7815944248975326
Energy: 1.633710674427398
Energy: 1.8137577630014825
Energy: 1.9969611449621476
Energy: 1.8137577630014825
Energy: 1.9988792749218642
Energy: 1.5532794508748846
Energy: 1.6562731413377854
Energy: 1.5532794508760848
Energy: 1.6656328976056873
Energy: 1.6677985962883308
Energy: 1.5539842997773305
Energy: 1.667798596289531
Energy: 1.6663352404098428
Energy: 1.7987299221448723
Energy: 1.6519999796838838
Energy: 1.7987299221448723
Energy: 1.7943241260258556
Energy: 1.552887877533228
Energy: 1.6548259278743076
Energy: 1.552887877533228
Energy: 1.636518746965711
Energy: 1.750103760198258
Energy: 2.0503451671630746
Energy: 1.750103760198258
Energy: 2.087349113677814
Energy: 1.6003819491954987
Energy: 1.683669260248154
Energy: 1.6003819491954987
Energy: 1.598593372026778
Energy: 1.7144147031644825
Energy: 1.8609302971206667
Energy: 1.7144147031632824

minimum gb energy = 1.5526346646985925 eV
minimum distance =  2.2508312222171 Angstroms
sigma value = 7


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

Energy: 1.580509778972021
Energy: 1.5816073902090282
Energy: 2.1588579686059064
Energy: 1.5816073902098773
Energy: 2.0324888331742414
Energy: 1.729847283770478
Energy: 1.6105075488890996
Energy: 1.729847283770478
Energy: 1.6327209917545706
Energy: 1.8229986810411425
Energy: 1.5900291043298815
Energy: 1.8229986810428396
Energy: 1.588529131265976
Energy: 1.6874641257677683
Energy: 1.6104982199129778
Energy: 1.687464125771163
Energy: 1.6290459227347192
Energy: 1.6852056738371182
Energy: 1.5758286676979387
Energy: 1.6852056738362695
Energy: 1.6284337557229498
Energy: 1.580535830010236
Energy: 2.0481505533132665
Energy: 1.580535830012782
Energy: 1.753679134036997
Energy: 1.8313509558406957
Energy: 1.5908809036547984
Energy: 1.831350955839847
Energy: 1.6289192508271355
Energy: 1.5810632620373255
Energy: 2.1286689963238667
Energy: 1.581063262035628
Energy: 1.7780893984075237
Energy: 1.671978128803764
Energy: 1.6368493417867622
Energy: 1.6719781288029154
Energy: 1.608523682305461
Energy: 1.6882475278559024
Energy: 1.749971702947767
Energy: 1.688247527851659
Energy: 1.5865160713063111
Energy: 1.8228916766402308
Energy: 1.5752310624661996
Energy: 1.8228916766419283
Energy: 1.5817850269785512
Energy: 1.6846019224164253
Energy: 1.5754360121802784
Energy: 1.6846019224147282
Energy: 1.5810568818853996
Energy: 1.5838242108485985
Energy: 1.5765129747836404
Energy: 1.5838242108494471
Energy: 1.5902642244369594
Energy: 1.5747251697035687
Energy: 1.6380957924269
Energy: 1.5747251697044171
Energy: 1.6093836067667575
Energy: 1.8831383129211927
Energy: 1.8063638224090113
Energy: 1.8831383129194954
Energy: 2.2053466939477873
Energy: 1.5726302988349627
Energy: 1.653254616838188
Energy: 1.5726302988349627
Energy: 1.608572695245528
Energy: 1.6855074685593334
Energy: 1.7818109216335456
Energy: 1.6855074685610307
Energy: 1.59869126520548
Energy: 1.8635226507755072
Energy: 1.637993349594536
Energy: 1.8635226507746585
Energy: 1.6084430972382766
Energy: 1.8232522544031486
Energy: 1.6398772983385093
Energy: 1.8232522544039973
Energy: 1.6095685378494238
Energy: 1.6867879204756717
Energy: 1.5738577825771487
Energy: 1.6867879204756717
Energy: 1.5866723137737124
Energy: 1.8205923195036313
Energy: 1.6379703975954534
Energy: 1.82059231950448
Energy: 1.6281037812017638
Energy: 1.819223434649007
Energy: 1.7409995878957925
Energy: 1.819223434649007
Energy: 2.0447151335096607
Energy: 1.6745821841606574
Energy: 1.6304329630403323
Energy: 1.6745821841615058
Energy: 1.586851479364805
Energy: 1.5811220856257513
Energy: 2.070494828555538
Energy: 1.5811220856232053
Energy: 1.6099771457853314
Energy: 1.6875737500875978
Energy: 1.5948017193612687
Energy: 1.6875737500884467
Energy: 1.5863029077651694
Energy: 1.819556042738348
Energy: 1.575005481850093
Energy: 1.8195560427400452
Energy: 1.6297663118508197
Energy: 1.6891600724009788
Energy: 1.596058370041159
Energy: 1.6891600724026758
Energy: 1.664469335708127
Energy: 1.684604373933756
Energy: 1.6106767120741237
Energy: 1.6846043739346046
Energy: 1.6419499080285138
Energy: 1.5818729730174985
Energy: 1.7840565934936887
Energy: 1.581872973018347
Energy: 1.585121708813538
Energy: 1.6336571893146503
Energy: 1.608758319378788
Energy: 1.6336571893129532
Energy: 1.6419533916314624
Energy: 1.581404907009028
Energy: 2.01663310818615
Energy: 1.581404907008179

minimum gb energy = 1.5726302988349627 eV
minimum distance =  2.23170628804296 Angstroms
sigma value = 29


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

Energy: 1.4820455237089531
Energy: 1.474596290183956
Energy: 1.944280900478942
Energy: 1.474596290183956
Energy: 1.4244569168402128
Energy: 1.483190781744287
Energy: 1.4798561140952926
Energy: 1.483190781744287
Energy: 1.5990116612384502
Energy: 1.5505825253070775
Energy: 1.7328837834652429
Energy: 1.5505825253073733
Energy: 1.4800357743830774
Energy: 1.424820654966099
Energy: 1.4801190912068911
Energy: 1.424820654966099
Energy: 1.4824362002109208
Energy: 1.5228954903563545
Energy: 1.733141013357449
Energy: 1.5228954903563545
Energy: 1.4752430186072951
Energy: 1.551525231210618
Energy: 1.4752719021058593
Energy: 1.551525231210618
Energy: 1.4752967780068902
Energy: 1.5230356311886162
Energy: 1.4824260820635045
Energy: 1.5230356311886162
Energy: 1.4801743664299694
Energy: 1.4246866432721554
Energy: 1.4797283110734285
Energy: 1.42468664327186
Energy: 1.7328530199889687
Energy: 1.5505729761704747
Energy: 1.7329021825898008
Energy: 1.5505729761704747

minimum gb energy = 1.4244569168402128 eV
minimum distance =  2.29297430672377 Angstroms
sigma value = 5


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

Energy: 1.4894809401338718
Energy: 1.4945182006889066
Energy: 1.8695188883162484
Energy: 1.4945182006889066
Energy: 1.729077719535962
Energy: 1.5812914024794336
Energy: 1.5070714952148658
Energy: 1.5812914024794336
Energy: 1.4617472212035765
Energy: 1.4882028480385345
Energy: 1.7641081523921769
Energy: 1.4882028480393361
Energy: 1.5098592500064598
Energy: 1.5704088816952828
Energy: 1.4670800637244201
Energy: 1.5704088816960844
Energy: 1.486913021517566
Energy: 1.5765664744343542
Energy: 1.7119664329493451
Energy: 1.5765664744319492
Energy: 1.5861321350594664
Energy: 1.4963748350820658
Energy: 1.4608202053518118
Energy: 1.4963748350804624
Energy: 1.4632244615959273
Energy: 1.5739898799746261
Energy: 1.4511653463370429
Energy: 1.5739898799746261
Energy: 1.4572206010007343
Energy: 1.4970234370910622
Energy: 1.4696284276397318
Energy: 1.4970234370950706
Energy: 1.4625095170604043
Energy: 1.5748754974801573
Energy: 1.4942827755323478
Energy: 1.5748754974801573
Energy: 1.46235721651019
Energy: 1.5747588486663762
Energy: 1.5099318952498286
Energy: 1.5747588486655741
Energy: 1.5165621617241016
Energy: 1.5714321231547739
Energy: 1.4643683122336324
Energy: 1.5714321231547739
Energy: 1.5118263947953672
Energy: 1.4800019771974622
Energy: 1.494461532026049
Energy: 1.4800019771998671
Energy: 1.6594310460281225
Energy: 1.4961047541313517
Energy: 1.4933588515138654
Energy: 1.4961047541313517
Energy: 1.4846983094256274
Energy: 1.4956374358690694
Energy: 1.4797849199453252
Energy: 1.4956374358690694
Energy: 1.8304170022109323
Energy: 1.56897906300276
Energy: 1.4644539496614808
Energy: 1.56897906300276
Energy: 1.4649792422784593
Energy: 1.4882138609185758
Energy: 1.8425799545630581
Energy: 1.4882138609185758
Energy: 1.7107576162127964
Energy: 1.4812345095836668
Energy: 1.4880408573249888
Energy: 1.4812345095828652
Energy: 1.4699429969034112
Energy: 1.4953194941541939
Energy: 1.99048746726441
Energy: 1.4953194941541939
Energy: 1.5467330139905322
Energy: 1.5768655324316168
Energy: 1.4575976000268833
Energy: 1.57686553243322
Energy: 1.4822931462742197
Energy: 1.5911845789855508
Energy: 1.4735476836049184
Energy: 1.5911845789879557
Energy: 1.4785601492032292
Energy: 1.5683279337762424
Energy: 1.462588602940014
Energy: 1.5683279337762424
Energy: 1.5157332635918703
Energy: 1.5747616452422415
Energy: 1.4634005349990815
Energy: 1.5747616452422415
Energy: 1.5011725974954147
Energy: 1.4962790911422446
Energy: 1.5147473658746151
Energy: 1.4962790911430461
Energy: 1.4938924311679491
Energy: 1.50578838811007
Energy: 1.5083369162376854
Energy: 1.5057883881108718
Energy: 1.4935986451807217
Energy: 1.4885283960007496
Energy: 1.4689437316688885
Energy: 1.4885283960015514
Energy: 1.521828910443559
Energy: 1.494778297937553
Energy: 1.4894328301465227
Energy: 1.494778297937553
Energy: 1.4670352442168297
Energy: 1.4537247200164995
Energy: 1.5571767849612415
Energy: 1.4537247200164995
Energy: 1.8674707705946745
Energy: 1.5815972528157072
Energy: 1.4646958279185953
Energy: 1.581597252811699
Energy: 1.47656439021482
Energy: 1.4692922570176972
Energy: 1.7693105651749026
Energy: 1.4692922570193008
Energy: 1.998896641388894
Energy: 1.639635891782463
Energy: 1.4698163427451445
Energy: 1.6396358917816614
Energy: 1.4590034090217427
Energy: 1.47355271197203
Energy: 1.7413351858429191
Energy: 1.47355271197203
Energy: 1.7127115902158996
Energy: 1.5743878380771241
Energy: 1.4772261459074263
Energy: 1.5743878380771241
Energy: 1.4679226837921941
Energy: 1.8054137657337295
Energy: 1.510389947858658
Energy: 1.8054137657337295

minimum gb energy = 1.4511653463370429 eV
minimum distance =  2.21786842107447 Angstroms
sigma value = 1


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

Energy: 1.5978588028872782
Energy: 1.5989276489705697
Energy: 1.9658940452108689
Energy: 1.5989276489705697
Energy: 1.5683389332890378
Energy: 1.550472144084648
Energy: 1.4322243126473508
Energy: 1.5504721440824814
Energy: 1.4161892404301988
Energy: 1.4414013245148722
Energy: 1.691545761668464
Energy: 1.4414013245159807
Energy: 1.4557086741084353
Energy: 1.5475063367607858
Energy: 1.4317433871405172
Energy: 1.5475063367607858
Energy: 1.4272725412537306
Energy: 1.44142838447316
Energy: 1.7654467485255574
Energy: 1.44142838447316
Energy: 1.4035040942221955
Energy: 1.445111671622886
Energy: 1.4320120722628733
Energy: 1.4451116716217776
Energy: 1.4159364741712073
Energy: 1.5931406406368036
Energy: 1.4347541078363901
Energy: 1.593140640635695
Energy: 1.4129311327922767
Energy: 1.444946851739855
Energy: 1.4294255574189252
Energy: 1.4449468517387463
Energy: 1.4408835533207065
Energy: 1.4516652880267837
Energy: 1.458756887190292
Energy: 1.4516652880267837
Energy: 1.441154024686758
Energy: 1.4526794525567366
Energy: 1.4843797746739988
Energy: 1.4526794525567366
Energy: 1.4134338157198458
Energy: 1.4450798254769186
Energy: 1.4589507351539237
Energy: 1.4450798254758102
Energy: 1.4166882964831224
Energy: 1.57685016366733
Energy: 1.6403671071017663
Energy: 1.57685016366733
Energy: 1.4047365068956665
Energy: 1.4446616266296008
Energy: 1.4338032039823452
Energy: 1.4446616266296008
Energy: 1.4289877049846718
Energy: 1.4486014012724668
Energy: 1.4418556492262564
Energy: 1.4486014012724668
Energy: 1.5873698927169615
Energy: 1.543681433140671
Energy: 1.4341259148725258
Energy: 1.5436814331395627
Energy: 1.415960813292384
Energy: 1.4418849180173599
Energy: 1.8107285008711116
Energy: 1.4418849180184683
Energy: 2.0252236431261994
Energy: 1.471767543536376
Energy: 1.4289840759606407
Energy: 1.471767543536376
Energy: 1.5978588028872782
Energy: 1.5989276489694615
Energy: 1.9658886777892333
Energy: 1.5989276489694615
Energy: 1.5683389332879292
Energy: 1.550472144084648
Energy: 1.4322243126473508
Energy: 1.550472144084648
Energy: 1.4161892404301988
Energy: 1.4414013245148722
Energy: 1.691545761668464
Energy: 1.4414013245148722
Energy: 1.4557086741095435
Energy: 1.5475063367607858
Energy: 1.4317433871405172
Energy: 1.5475063367618944
Energy: 1.427272541254839
Energy: 1.44142838447316
Energy: 1.7654467485255574
Energy: 1.4414283844720515
Energy: 1.4035040942221955
Energy: 1.445111671622886
Energy: 1.432012072261765
Energy: 1.4451116716217776
Energy: 1.4159364741723155
Energy: 1.5931406406368036
Energy: 1.4347541078374986
Energy: 1.593140640635695

minimum gb energy = 1.4035040942221955 eV
minimum distance =  2.239470800317 Angstroms
sigma value = 17


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

Energy: 1.4340117321782073
Energy: 1.4348539065589223
Energy: 1.832754667182839
Energy: 1.4348539065602925
Energy: 1.6315703327581343
Energy: 1.4231163298223064
Energy: 1.4073748648486923
Energy: 1.4231163298229914
Energy: 1.4040587385565293
Energy: 1.4195414568782758
Energy: 1.756949529386071
Energy: 1.4195414568782758
Energy: 1.569430041696634
Energy: 1.6964514384846152
Energy: 1.4016988031067608
Energy: 1.6964514384839304
Energy: 1.4052150999565245
Energy: 1.4348417859737141
Energy: 1.809559596661518
Energy: 1.4348417859716587
Energy: 1.4440326010900382
Energy: 1.9106549674350424
Energy: 1.4169888795764094
Energy: 1.9106549674350424
Energy: 1.434386933217785
Energy: 1.5046946446418272
Energy: 1.4192580865335402
Energy: 1.5046946446418272
Energy: 1.4300743658981336
Energy: 1.7154450874874112
Energy: 1.4014352661219955
Energy: 1.7154450874867262
Energy: 1.4349538624417757
Energy: 1.7155800490817863
Energy: 1.481193520027442
Energy: 1.7155800490824717
Energy: 1.4200443910497647
Energy: 1.7146474080133107
Energy: 1.4165177508303315
Energy: 1.7146474080133107
Energy: 1.3959906864141756
Energy: 1.6919112895814872
Energy: 1.4112935149638568
Energy: 1.6919112895814872
Energy: 1.3947287419256644
Energy: 1.4997799689548663
Energy: 1.3939425708401885
Energy: 1.4997799689562366
Energy: 1.4381518622531468
Energy: 1.7073008955048274
Energy: 1.405711681607447
Energy: 1.7073008955048274
Energy: 1.435124500960788
Energy: 1.5237961461031904
Energy: 1.4330311877577686
Energy: 1.5237961461031904
Energy: 1.4270052376202742
Energy: 1.6995583097409832
Energy: 1.4466105979426738
Energy: 1.699558309741668
Energy: 1.4108827098462382
Energy: 1.4206350866139557
Energy: 1.7773385425998156
Energy: 1.4206350866139557
Energy: 1.4702923095228297
Energy: 1.700377339287644
Energy: 1.4056831037865403
Energy: 1.700377339281478
Energy: 1.3955846908215683
Energy: 1.5657088155392282
Energy: 1.703797834104268
Energy: 1.5657088155392282
Energy: 1.630398664757151
Energy: 1.6959912333167944
Energy: 1.4068957833133395
Energy: 1.6959912333174796
Energy: 1.4108383974033332
Energy: 1.4197400585504132
Energy: 1.5739339090320819
Energy: 1.4197400585504132
Energy: 1.5067606804827762
Energy: 1.4130837469318425
Energy: 1.4316221640235594
Energy: 1.4130837469325277
Energy: 1.4321494264392944
Energy: 1.566862531978943
Energy: 1.5095286750279182
Energy: 1.566862531978943
Energy: 1.6344912825484479
Energy: 1.7078301478322206
Energy: 1.4132053307303203
Energy: 1.7078301478315359
Energy: 1.4074151057508801
Energy: 1.4133539820426864
Energy: 1.6317844076397023
Energy: 1.4133539820447414
Energy: 1.4994987088415104
Energy: 1.5652323301610758
Energy: 1.3980573836938723
Energy: 1.565232330160391
Energy: 1.4088286639187493
Energy: 1.525693116901907
Energy: 1.4722978733800356
Energy: 1.525693116901907
Energy: 1.6218525754531334
Energy: 1.4892331879413356
Energy: 1.413645642679347
Energy: 1.4892331879406506
Energy: 1.4461029931662737
Energy: 1.6991931098060216
Energy: 1.426913966147084
Energy: 1.6991931098073918
Energy: 1.4331454449013048
Energy: 1.5230384072823226
Energy: 1.4291238428202417
Energy: 1.523038407283008
Energy: 1.4056241752717529
Energy: 1.7053449673575645
Energy: 1.4935986804579022
Energy: 1.7053449673575645
Energy: 1.3936509470420557
Energy: 1.5228247303912703
Energy: 1.3949568427657426
Energy: 1.5228247303919553
Energy: 1.4091680110189726
Energy: 1.6951243170564998
Energy: 1.4050747468544054
Energy: 1.6951243170564998
Energy: 1.4137743928446933
Energy: 1.4959442862737364
Energy: 1.6322187989976369
Energy: 1.4959442862757917
Energy: 1.4848767657446764
Energy: 1.7202910528784439
Energy: 1.4200479821231835
Energy: 1.7202910528784439
Energy: 1.3990931823728758
Energy: 1.4357748654213303
Energy: 1.4702954523599059
Energy: 1.4357748654213303
Energy: 1.4190711626937025
Energy: 1.5074882549780133
Energy: 1.4324459668382243
Energy: 1.5074882549793835
Energy: 1.4131551211770654
Energy: 1.9083952531435686
Energy: 1.4295738999746466
Energy: 1.9083952531415136
Energy: 1.806514802837539
Energy: 1.526291004756008
Energy: 1.4109366148610103
Energy: 1.526291004755323

minimum gb energy = 1.3936509470420557 eV
minimum distance =  2.23583774088107 Angstroms
sigma value = 89


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

Energy: 1.2778433708873802
Energy: 1.2779945325193702
Energy: 2.0783667958110557
Energy: 1.2779945325175774
Energy: 1.278325437802389
Energy: 1.3159074167854956
Energy: 1.3008954003129691
Energy: 1.3159074167854956
Energy: 1.297184245557291
Energy: 1.376376716546175
Energy: 2.2069624348376466
Energy: 1.376376716546175
Energy: 1.3217444913119165
Energy: 1.3162988781482645
Energy: 1.3005002190641743
Energy: 1.316298878150057
Energy: 1.2967111331667738
Energy: 1.410149492011751
Energy: 2.1242801245825826
Energy: 1.4101494920099586
Energy: 1.2968132522022864
Energy: 1.2787739730149161
Energy: 1.2774780327947823
Energy: 1.2787739730149161
Energy: 1.2974163622113977
Energy: 1.5096316396235903
Energy: 1.2779434321242893
Energy: 1.5096316396235903
Energy: 1.3187076729301848
Energy: 1.5090195610568877
Energy: 1.3010872367337922
Energy: 1.5090195610568877
Energy: 1.2968072315507557
Energy: 1.4098453472578478
Energy: 1.2836285751682357
Energy: 1.4098453472578478
Energy: 1.3153906885123847
Energy: 1.2789552235866062
Energy: 1.2966685588494284
Energy: 1.2789552235866062
Energy: 1.2776328146458673
Energy: 1.3167820861378297
Energy: 1.2966616963050603
Energy: 1.3167820861378297
Energy: 1.277752357801861
Energy: 1.5105595700903625
Energy: 1.3006862514720954
Energy: 1.5105595700903625
Energy: 1.296678646475127
Energy: 1.2800947463523344
Energy: 1.315600045602012
Energy: 1.280094746354127
Energy: 1.2968711260820769
Energy: 1.4089774237898853
Energy: 1.296852810239816
Energy: 1.408977423788093
Energy: 1.2835751458823361
Energy: 1.280063773696388
Energy: 1.296678511662767
Energy: 1.280063773696388

minimum gb energy = 1.2774780327947823 eV
minimum distance =  2.25569726688674 Angstroms
sigma value = 13


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

Energy: 1.2847538508692453
Energy: 1.2515374873413017
Energy: 1.7278669612434814
Energy: 1.2515374873382963
Energy: 1.491632830399818
Energy: 1.6457280236633183
Energy: 1.2444505108475785
Energy: 1.6457280236625669
Energy: 1.252899171736575
Energy: 1.4372478924070515
Energy: 1.9304950760453266
Energy: 1.437247892466338
Energy: 1.2456519783178988
Energy: 1.4667784507242432
Energy: 1.2423684860405881
Energy: 1.4667784507264972
Energy: 1.2595413285923103
Energy: 1.528652186711401
Energy: 1.333144714406035
Energy: 1.528652186714406
Energy: 1.2436002659333583
Energy: 1.2845583315812013
Energy: 1.2586904303800135
Energy: 1.2845583315842066
Energy: 1.259631255726231
Energy: 1.4508845341297973
Energy: 1.6174964225271045
Energy: 1.4508845341320513
Energy: 1.2483027084288714
Energy: 1.4634290348313965
Energy: 1.2588284513567607
Energy: 1.4634290348276398
Energy: 1.2609180963158517
Energy: 1.3489918110558736
Energy: 1.4745542779771406
Energy: 1.3489918110573762
Energy: 1.4801606160813974
Energy: 1.5490914355750849
Energy: 1.2424298067758075
Energy: 1.5490914355750849
Energy: 1.2604136122392653
Energy: 1.3708686292237242
Energy: 1.2437480491413402
Energy: 1.3708686292297347
Energy: 1.6122112938173057
Energy: 1.5487896219854014
Energy: 1.2504759331883428
Energy: 1.5487896219854014
Energy: 1.2938778160411317
Energy: 1.2663910857320497
Energy: 1.2583950184791106
Energy: 1.266391085735055
Energy: 1.6246795840734165
Energy: 1.3707915137580655
Energy: 1.2504768461092746
Energy: 1.370791513761071
Energy: 1.2604160756184597
Energy: 1.2492145655591842
Energy: 1.2529634071930318
Energy: 1.2492145655539248
Energy: 1.2412326611636906
Energy: 1.3707921941185706
Energy: 1.2394632849242713
Energy: 1.3707921941140624
Energy: 1.256848256244558
Energy: 1.3364895554539629
Energy: 1.2389056806316354
Energy: 1.33648955545246
Energy: 1.2800775899775565
Energy: 1.3455852510508082
Energy: 1.2542166971075284
Energy: 1.3455852510515594
Energy: 1.2571900856984157
Energy: 1.2678857952759537
Energy: 1.2543774759727508
Energy: 1.2678857952797102
Energy: 1.2567972237534952
Energy: 1.2680149295558338
Energy: 1.25435582423757
Energy: 1.2680149295535799
Energy: 1.280502103521399
Energy: 1.3454779885009145
Energy: 1.2544275299569942
Energy: 1.3454779885016661
Energy: 1.2567083451235332
Energy: 1.3364932480496896
Energy: 1.2389480163216153
Energy: 1.3364932480474359
Energy: 1.241079381607301
Energy: 1.37060103079923
Energy: 1.23930602687078
Energy: 1.3706010307977274
Energy: 1.2603786734953357
Energy: 1.2492180028505535
Energy: 1.2553206765996854
Energy: 1.2492180028505535
Energy: 1.62504926358291
Energy: 1.5994732901678748
Energy: 1.2513595565949416
Energy: 1.5994732901678748
Energy: 1.2944710366535068
Energy: 1.2664919303323736
Energy: 1.256138966533893
Energy: 1.2664919303323736
Energy: 1.6118533728181839
Energy: 1.5489299671955175
Energy: 1.2509693808041402
Energy: 1.548929967196269
Energy: 1.2597631389606723
Energy: 1.3710067118240599
Energy: 1.242829000650677
Energy: 1.3710067118263136
Energy: 1.4800939909194755
Energy: 1.5485788382366599
Energy: 1.2421040619911272
Energy: 1.5485788382351575
Energy: 1.25992930649321
Energy: 1.3488081473495173
Energy: 1.6936327515226424
Energy: 1.3488081473525224
Energy: 1.2478029443235326
Energy: 1.4638054846105346
Energy: 1.258794533736277
Energy: 1.4638054846112862
Energy: 1.259849965903646
Energy: 1.4508362381928983
Energy: 1.8019700371952514
Energy: 1.4508362381959035
Energy: 1.2439918684807607
Energy: 1.2823036225408868
Energy: 1.2587781741453605
Energy: 1.282303622543892
Energy: 1.259885599746337
Energy: 1.5285945914903236
Energy: 1.3195933339475954
Energy: 1.528594591486567
Energy: 1.2459760184389392
Energy: 1.4687077405629865
Energy: 1.2423707320106379
Energy: 1.4687077405652404

minimum gb energy = 1.2389056806316354 eV
minimum distance =  2.23452233636402 Angstroms
sigma value = 37


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

Energy: 1.3588608398125603
Energy: 1.3585591483123358
Energy: 1.1879294197221835
Energy: 1.3585591483123358
Energy: 1.4487288499712865
Energy: 1.5930313969876533
Energy: 1.1597343203668646
Energy: 1.5930313969863608
Energy: 1.1804712186444035
Energy: 1.6296255214274697
Energy: 1.5698241330764442
Energy: 1.6296255214274697
Energy: 1.3014146026263713
Energy: 1.3450399165451508
Energy: 1.1604081750539357
Energy: 1.3450399165451508
Energy: 1.1592393508367507
Energy: 1.1847573574571926
Energy: 1.3012212312415936
Energy: 1.184757357458485
Energy: 1.1974744834384707
Energy: 1.7531861414222707
Energy: 1.3044852788630112
Energy: 1.7531861414222707
Energy: 1.1751897902929136
Energy: 1.9338740456832233
Energy: 1.6350548889468708
Energy: 1.9338740456832233
Energy: 1.1428477356515683
Energy: 1.1858037579856495
Energy: 1.1900217463218283
Energy: 1.1858037579856495
Energy: 1.1605838496176772
Energy: 1.5924456099865696
Energy: 1.4666816896035355
Energy: 1.5924456099865696
Energy: 1.5691768955177574
Energy: 1.6304626813154415
Energy: 1.3033825666864802
Energy: 1.6304626813154415
Energy: 1.158442483397573
Energy: 1.8350425268776525
Energy: 1.3012267791966015
Energy: 1.8350425268776525
Energy: 1.5446046429998952
Energy: 1.185290348785371
Energy: 1.16033773254429
Energy: 1.1852903487866635
Energy: 1.3007353041692187
Energy: 1.592531445640846
Energy: 1.3651662626348307
Energy: 1.592531445640846
Energy: 1.637148074002635
Energy: 1.935137020420926
Energy: 1.1426825662464297
Energy: 1.9351370204196332
Energy: 1.3577326404317103
Energy: 1.3928968914911262
Energy: 1.1427526461808664
Energy: 1.3928968914924187
Energy: 1.358180482016224
Energy: 1.5931220518532039
Energy: 1.159665727700531
Energy: 1.5931220518532039
Energy: 1.3006300253015695
Energy: 1.3301560831599664
Energy: 1.1607200471483015
Energy: 1.3301560831612589
Energy: 1.3007686289153895
Energy: 1.8360476480406673
Energy: 1.158390959956542
Energy: 1.83604764804196
Energy: 1.158418872455355
Energy: 1.1866675407985277
Energy: 1.1585317361430953
Energy: 1.1866675407972351
Energy: 1.1587093021257147
Energy: 1.5929827086062105
Energy: 1.3007825967009348
Energy: 1.5929827086049178

minimum gb energy = 1.1426825662464297 eV
minimum distance =  2.2295677078472 Angstroms
sigma value = 25


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

Energy: 1.2346468085252515
Energy: 1.757113547847814
Energy: 1.0546150448116092
Energy: 1.757113547847814
Energy: 1.4833034752243233
Energy: 1.2984275117343553
Energy: 1.0474677644668955
Energy: 1.2984275117353647
Energy: 1.1704387368059683
Energy: 1.1708695879822035
Energy: 1.3571693028267815
Energy: 1.1708695879842224
Energy: 1.2518597256068038
Energy: 1.4402841418382446
Energy: 1.0556237177513599
Energy: 1.4402841418372354
Energy: 1.06422390012684
Energy: 1.2987448213927424
Energy: 1.1372251824783788
Energy: 1.2987448213927424
Energy: 1.1451883713463418
Energy: 1.2942773660608002
Energy: 1.06558363044282
Energy: 1.2942773660597906
Energy: 1.0504271426354348
Energy: 1.0440491645148966
Energy: 1.2526409191481014
Energy: 1.0440491645138872
Energy: 1.0368358499637065
Energy: 1.44854235162879
Energy: 1.1727351013951546
Energy: 1.44854235162879
Energy: 1.0503761286762565
Energy: 1.2987646282905088
Energy: 1.6287407241954848
Energy: 1.2987646282884902
Energy: 1.0237712797532765
Energy: 1.2807650092531517
Energy: 1.1053407080582012
Energy: 1.2807650092551706
Energy: 1.050312483629589
Energy: 1.0439548785916704
Energy: 1.5330632193487834
Energy: 1.0439548785916704
Energy: 1.358512198175196
Energy: 1.5998959928998437
Energy: 1.172903684825309
Energy: 1.599895992900853
Energy: 1.0579128082393505
Energy: 1.2101058767078288
Energy: 1.4067220507899056
Energy: 1.2101058767098476
Energy: 1.3475342425663794
Energy: 1.3919573091051456
Energy: 1.0659541884673223
Energy: 1.3919573091162487
Energy: 1.0647263723236364
Energy: 1.0412586608193222
Energy: 1.1440272186699314
Energy: 1.0412586608183128
Energy: 1.4426711747441539
Energy: 1.7074742395304918
Energy: 1.0491654593521786
Energy: 1.707474239531501
Energy: 1.1756203521228097
Energy: 1.448281025375122
Energy: 1.025373333389677
Energy: 1.448281025375122
Energy: 1.4279825370765435
Energy: 1.1886243944524093
Energy: 1.0477065572763604
Energy: 1.1886243944524093
Energy: 1.2337482959442703
Energy: 1.0618084912351016
Energy: 1.0240951092413637
Energy: 1.0618084912351016
Energy: 1.6748706452855227
Energy: 1.706631299719014
Energy: 1.0489759080241128
Energy: 1.7066312997200237
Energy: 1.1755871556114417
Energy: 1.7059273834461
Energy: 1.0375860370611945
Energy: 1.7059273834471091
Energy: 1.1703511809945122
Energy: 1.4406185253847805
Energy: 1.0594770302696301
Energy: 1.4406185253878083
Energy: 1.0645539513161715
Energy: 1.4252821730760372
Energy: 1.3493747202776138
Energy: 1.4252821730760372
Energy: 1.1438354157095367
Energy: 1.7698919962157
Energy: 1.0646128247562228
Energy: 1.7698919962146906
Energy: 1.0478715085906254
Energy: 1.7068839181548328
Energy: 1.4426916226721962
Energy: 1.7068839181548328
Energy: 1.0310587103456266
Energy: 1.3304694599520979
Energy: 1.1701796580268657
Energy: 1.3304694599531073

minimum gb energy = 1.0237712797532765 eV
minimum distance =  2.2407989195885 Angstroms
sigma value = 41


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

Energy: 1.3499139734839412
Energy: 1.3508412046638334
Energy: 0.9559698459901789
Energy: 1.3508412046621783
Energy: 1.417374861657377
Energy: 1.1453853053723009
Energy: 0.9446128120900847
Energy: 1.1453853053714735
Energy: 0.972402307830252
Energy: 0.9421836072670537
Energy: 1.718510591247796
Energy: 0.9421836072662262
Energy: 1.2140231315074868
Energy: 1.3395706214794836
Energy: 0.9443292591412267
Energy: 1.3395706214794836
Energy: 0.9379951982049124
Energy: 1.3708113397871569
Energy: 1.0175676382183532
Energy: 1.370811339788812
Energy: 1.0103843562655335
Energy: 1.1445130622242043
Energy: 0.9444715990031324
Energy: 1.144513062222549
Energy: 0.9430778170319064
Energy: 1.1451188386173288
Energy: 1.0108907072827684
Energy: 1.1451188386173288
Energy: 0.9268848215088412
Energy: 1.1644916729691466
Energy: 0.9393876656457828
Energy: 1.164491672968319
Energy: 0.9480062426874587
Energy: 1.5232368305020425
Energy: 1.3156784707673077
Energy: 1.5232368305012147
Energy: 0.9292625805264597
Energy: 1.1360865918246852
Energy: 0.9737138389531407
Energy: 1.1360865918255127
Energy: 0.9432823019811115
Energy: 1.1477176953387274
Energy: 1.5413057873317593
Energy: 1.147717695373408
Energy: 0.9309128335054452
Energy: 1.3512700316030621
Energy: 1.350938418416693
Energy: 1.3512700316038895
Energy: 0.9480795303153302
Energy: 1.523834030937775
Energy: 1.6624545321549187
Energy: 1.523834030937775
Energy: 1.203735186699774
Energy: 1.35608416457768
Energy: 0.9735222709359355
Energy: 1.35608416457768
Energy: 0.9433399638592892
Energy: 1.1478545825457855
Energy: 1.345165462642556
Energy: 1.1478545825433026
Energy: 1.1953520071271573
Energy: 1.38731801803442
Energy: 0.9394546237071846
Energy: 1.3873180180360751
Energy: 0.9478694562627357
Energy: 1.5236549250652724
Energy: 1.2481032436566815
Energy: 1.5236549250644447
Energy: 1.1887831989909243
Energy: 1.3563627455538665
Energy: 0.9444957866816562
Energy: 1.356362745553039
Energy: 0.943501787604386
Energy: 1.1627747880331498
Energy: 0.9263443446240717
Energy: 1.1627747880364598
Energy: 1.179325103061748
Energy: 1.356052713581378
Energy: 0.9480348191634246
Energy: 1.356052713583033
Energy: 0.9773814583816992
Energy: 1.5243205971174605
Energy: 0.9302847638031061
Energy: 1.5243205971174605
Energy: 1.5407565473255744
Energy: 1.6858642559519281
Energy: 0.9446477454542769
Energy: 1.6858642559519281
Energy: 1.3550661680374414
Energy: 1.3527003494145173
Energy: 0.9308837836635173
Energy: 1.352700349415345
Energy: 1.3502624542491466
Energy: 1.5236992664757196
Energy: 0.948224690121766
Energy: 1.5236992664757196
Energy: 0.9773277376703946
Energy: 1.33603142989879
Energy: 0.935406687672897
Energy: 1.3360314298979625
Energy: 1.3325071661869854
Energy: 1.678517533820354
Energy: 0.9444683809018528
Energy: 1.678517533820354
Energy: 0.9432475300381777
Energy: 1.5275662858855024
Energy: 1.1950305063083169
Energy: 1.5275662858855024
Energy: 0.9384702433703849
Energy: 1.5242296630808783
Energy: 0.9481204274285777
Energy: 1.5242296630817056
Energy: 0.9483518218967452
Energy: 1.3365130015393767
Energy: 1.1889859438161672
Energy: 1.3365130015402045
Energy: 0.9259565435863183
Energy: 1.5672062514138727
Energy: 0.9494122666474135
Energy: 1.5672062514147
Energy: 0.9437472783602273
Energy: 1.3572434104112245
Energy: 1.1792209796220317
Energy: 1.3572434104112245
Energy: 0.9308217590515917
Energy: 1.525180608941355
Energy: 0.9829875043963167
Energy: 1.5251806089421824

minimum gb energy = 0.9259565435863183 eV
minimum distance =  2.23308953257834 Angstroms
sigma value = 15


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

Energy: 1.2271379573885886
Energy: 1.50834311227386
Energy: 1.6981885015847216
Energy: 1.5083431122731588
Energy: 1.5610452755662927
Energy: 1.363598803035045
Energy: 0.8840437593186709
Energy: 1.3635988030329422
Energy: 0.9136875388182915
Energy: 1.2061331829976625
Energy: 1.6170841051034373
Energy: 1.2061331829976625
Energy: 1.3748902706314807
Energy: 1.3689087832447118
Energy: 0.8838792427642821
Energy: 1.3689087832447118
Energy: 0.879808848371338
Energy: 1.515407882080971
Energy: 0.8612383621414041
Energy: 1.515407882080971
Energy: 1.0936538606373614
Energy: 1.3649052174076477
Energy: 0.8840209932615779
Energy: 1.3649052174076477
Energy: 0.8830516419871289
Energy: 1.2163289720189994
Energy: 0.9226216422685697
Energy: 1.2163289720197004
Energy: 0.9227487653493041
Energy: 1.2186593195439681
Energy: 0.8839754993413035
Energy: 1.218659319542566
Energy: 0.8864136235743558
Energy: 1.5253607015324298
Energy: 1.0929209667501003
Energy: 1.5253607015331307
Energy: 0.8535056061223606
Energy: 1.3661790312333595
Energy: 0.8808283908075841
Energy: 1.3661790312347613
Energy: 0.883217624479701
Energy: 1.363151411276097
Energy: 1.5277108019039056
Energy: 1.363151411276097
Energy: 0.8564428019529836
Energy: 1.2068133251453366
Energy: 0.9146255191359721
Energy: 1.2068133251271098
Energy: 0.8862821131732227
Energy: 1.5195652331755867
Energy: 1.53275810585173
Energy: 1.5195652331762879
Energy: 0.8569623738835084
Energy: 1.5089237641501536
Energy: 1.2275641682017187
Energy: 1.5089237641494526
Energy: 0.8831555596137216
Energy: 1.3633536349539104
Energy: 1.55596352686028
Energy: 1.3633536349546118
Energy: 1.085880036851182
Energy: 1.2056402491391982
Energy: 0.9145419687767576
Energy: 1.2056402491384972
Energy: 0.8863363968515404
Energy: 1.5193988969970929
Energy: 1.4760362289364053
Energy: 1.5193988969970929
Energy: 1.0817430546662008
Energy: 1.5142929259022604
Energy: 0.8807679511094255
Energy: 1.5142929259029614
Energy: 0.8832994287993456
Energy: 1.3651411858142566
Energy: 1.2036403087438534
Energy: 1.3651411858149576
Energy: 1.0774710831400152
Energy: 1.0500468315898501
Energy: 0.8839265282202751
Energy: 1.0500468315933555
Energy: 0.8865428223760725
Energy: 1.3924358431108734
Energy: 1.1226340181902594
Energy: 1.3924358431094717
Energy: 1.07992652346767
Energy: 1.3784700818850926
Energy: 0.8902794378728358
Energy: 1.3784700818850926
Energy: 0.8832914836956034
Energy: 1.0459285107228082
Energy: 0.8537939146844532
Energy: 1.0459285107214062
Energy: 1.4103692519351667
Energy: 1.047474274489339
Energy: 0.8840792589055994
Energy: 1.047474274487937
Energy: 0.9169241563409116
Energy: 1.3923830036315725
Energy: 0.8577491060080843
Energy: 1.3923830036315725
Energy: 1.3946812341893104
Energy: 1.52264687885242
Energy: 0.8902726892580899
Energy: 1.5226468788517191
Energy: 1.2301178075179708
Energy: 1.5061304111486924
Energy: 0.8572495479785575
Energy: 1.5061304111493936
Energy: 1.551016505031657
Energy: 1.3635715572313967
Energy: 0.8840723089437723
Energy: 1.3635715572306957
Energy: 0.9168785693176686
Energy: 1.5472534246077068
Energy: 0.8631438380715645
Energy: 1.5472534246084075
Energy: 1.2035930800256474
Energy: 1.5230074374760738
Energy: 0.8902472153253389
Energy: 1.5230074374767748
Energy: 0.8832248453712243
Energy: 1.5087264937919396
Energy: 1.0815334103515701
Energy: 1.5087264937926408
Energy: 1.1928069633399816
Energy: 1.3668516244428335
Energy: 0.8840825666854101
Energy: 1.3668516244435345
Energy: 0.8863523878642634
Energy: 1.53935564451906
Energy: 1.077100698554964
Energy: 1.53935564451906
Energy: 0.8603963577549771
Energy: 1.3936971189561294
Energy: 0.8901672401531514
Energy: 1.3936971189575316
Energy: 0.8769540233928524
Energy: 1.5081279723772092
Energy: 1.0793825688009928
Energy: 1.5081279723779102
Energy: 0.8532236388225133
Energy: 1.0454605740742635
Energy: 0.8872134374612568
Energy: 1.0454605740770677
Energy: 0.886603479298856
Energy: 1.5393456074537863
Energy: 1.4098977860127924
Energy: 1.5393456074537863

minimum gb energy = 0.8532236388225133 eV
minimum distance =  2.26799722595369 Angstroms
sigma value = 85


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

Energy: 1.1563727229192338
Energy: 1.4114211556331928
Energy: 1.0683906821877467
Energy: 1.4114211556331928
Energy: 1.6641368101461527
Energy: 1.2690364156450873
Energy: 0.811219196045051
Energy: 1.2690364156456952
Energy: 1.1092067241677577
Energy: 1.1104817380689807
Energy: 1.0683241715027052
Energy: 1.1104817380689807
Energy: 1.3834741254874199
Energy: 0.9799010367101835
Energy: 0.8108633937237221
Energy: 0.9799010367101835
Energy: 0.850257484481744
Energy: 1.077796066467115
Energy: 0.7709560423053036
Energy: 1.0777960664665072
Energy: 1.230043627972862
Energy: 0.9837786237901894
Energy: 0.810890385572801
Energy: 0.9837786237914055
Energy: 0.8069470024401136
Energy: 1.1317352504654172
Energy: 0.8909566987463319
Energy: 1.1317352504654172
Energy: 1.07237867067788
Energy: 1.2688145428900566
Energy: 0.8109424585114817
Energy: 1.2688145428894482
Energy: 0.8101260002057774
Energy: 1.0922298793625052
Energy: 1.0378919318974682
Energy: 1.0922298793625052
Energy: 0.9282920573573713
Energy: 1.1317204366242102
Energy: 0.8078434054306723
Energy: 1.1317204366248184
Energy: 0.8105981302398894
Energy: 0.9836930452159507
Energy: 1.1843592848478288
Energy: 0.9836930452159507
Energy: 0.7715699202183375
Energy: 0.9805974726984125
Energy: 0.8511584589159968
Energy: 0.9805974726978043
Energy: 0.8104968049043915
Energy: 1.0926115625061747
Energy: 1.397931305893693
Energy: 1.092611562506783
Energy: 0.7743699195412495
Energy: 1.110065386264046
Energy: 1.1102742348986676
Energy: 1.110065386264046
Energy: 0.8105906772390818
Energy: 1.2686912727628208
Energy: 1.5207485761445536
Energy: 1.2686912727628208
Energy: 0.7734760210883224
Energy: 1.4118456868327682
Energy: 1.1572124060669382
Energy: 1.4118456868327682
Energy: 0.8102545817673564
Energy: 1.0927202627043247
Energy: 1.521402930984709
Energy: 1.0927202627037167
Energy: 0.977659796636726
Energy: 1.1100893650618506
Energy: 1.1102622435738718
Energy: 1.1100893650624588
Energy: 0.810620592185749
Energy: 1.268534915443606
Energy: 1.3831457642331628
Energy: 1.268534915442998
Energy: 0.9683043751248156
Energy: 1.4365173154972726
Energy: 0.8509793199300741
Energy: 1.4365173154972726
Energy: 0.8102045431094499
Energy: 1.0938855078655028
Energy: 1.2297338238810818
Energy: 1.0938855078661107
Energy: 0.9664225077939942
Energy: 1.135928125491408
Energy: 0.8078801538785869
Energy: 1.135928125491408
Energy: 0.8104247121003524
Energy: 1.268883830555206
Energy: 1.0729915072560259
Energy: 1.268883830555206
Energy: 0.9722472574489818
Energy: 1.0055376681994217
Energy: 0.8109251324712706
Energy: 1.005537667077544
Energy: 0.810354479154462
Energy: 0.9798841373720111
Energy: 0.9258330589861755
Energy: 0.9798841373720111
Energy: 1.262461151475025
Energy: 1.1103231373970057
Energy: 0.8118682444439835
Energy: 1.1103231373963978
Energy: 0.853290233094975
Energy: 0.9802620311355009
Energy: 0.7712424519663369
Energy: 0.980262031136109
Energy: 1.2572841806441974
Energy: 1.4325719521931053
Energy: 0.8102577969849372
Energy: 1.4325719521931053
Energy: 1.1125256356352504
Energy: 1.1105047243365525
Energy: 0.774551823965821
Energy: 1.1105047243371604
Energy: 1.5212289042410667
Energy: 1.26839679644967
Energy: 0.8119172667649384
Energy: 1.26839679644967
Energy: 1.1594112768186056
Energy: 1.412904565561092
Energy: 0.7738943430757327
Energy: 1.412904565561092
Energy: 1.4064272505637199
Energy: 1.4324927996364105
Energy: 0.8110888639973778
Energy: 1.4324927996364105
Energy: 1.112779848659788
Energy: 1.1102258414278732
Energy: 0.7843030319813659
Energy: 1.1102258414272652
Energy: 1.383634122521439
Energy: 1.2684792404088334
Energy: 0.8100666691081956
Energy: 1.2684792404088334
Energy: 0.8536287487232217
Energy: 1.437196021969576
Energy: 0.9686636548887257
Energy: 1.437196021970184
Energy: 1.0781740483386404
Energy: 1.4256820027381203
Energy: 0.8111462203617967
Energy: 1.4256820027381203
Energy: 0.8105287820778686
Energy: 1.109877091168947
Energy: 0.9658527881362108
Energy: 1.109877091168947
Energy: 1.0644868299767272
Energy: 1.1100900190624459
Energy: 0.8118190657695563
Energy: 1.110090019068526
Energy: 0.8104938982976893
Energy: 1.3992774753840476
Energy: 0.9723099021149424
Energy: 1.3992774753834396
Energy: 0.7801190400113077
Energy: 1.319460757224712
Energy: 0.8071168384603792
Energy: 1.319460757224712
Energy: 0.810179340835911
Energy: 1.1103941970103952
Energy: 1.2620999584216235
Energy: 1.1103941970103952
Energy: 0.7709136049619878
Energy: 0.979819540394574
Energy: 0.8502514425124534
Energy: 0.9798195403939661
Energy: 0.8106473957716603
Energy: 1.3995595450106566
Energy: 1.25689632338864
Energy: 1.3995595450112646

minimum gb energy = 0.7709136049619878 eV
minimum distance =  2.25679124785321 Angstroms
sigma value = 113


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

Energy: 0.020524472531170672
Energy: 0.021438347909099917
Energy: 1.223645823376445
Energy: 0.021438347909567314
Energy: 1.2229141558032874
Energy: 0.4553881881977859
Energy: 0.4546890633178627
Energy: 0.4553881881977859
Energy: 0.020524472531170672
Energy: 0.021438347908684447
Energy: 1.2235850373719928
Energy: 0.021438347909567314
Energy: 1.2229141558032874
Energy: 0.4553881881977859
Energy: 0.4546890632598529
Energy: 0.4553881881977859
Energy: 0.020524472531170672
Energy: 0.021438347909099917
Energy: 1.2236381857713239
Energy: 0.021438347909567314
Energy: 1.2229141558032874
Energy: 0.45538818819825333
Energy: 0.45468906330643727
Energy: 0.4553881881977859

minimum gb energy = 0.020524472531170672 eV
minimum distance =  2.48492824418827 Angstroms
sigma value = 1