Model name: model_name=MEAM_LAMMPS_SunRamachandranWick_2018_TiAl__MO_022920256108_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049985826015473
cohesive_energy=3.3534000933305403
mass=26.981538
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=[0.0, 0.0, 3.1040890542442797e-19, 3.46794336782568e-19, 3.76416980568594e-19, 4.01135361677946e-19, 4.22090229874032e-19, 4.40042619058002e-19, 4.55529258402246e-19, 4.689410790054599e-19, 4.80582494428104e-19, 4.906858202821079e-19, 4.99441715586918e-19, 5.0700078494613e-19, 5.134928046670979e-19, 5.190219162310319e-19, 5.236794437060699e-19, 5.27542291570644e-19, 5.30676149066748e-19, 5.3314029672984e-19, 5.34986004212208e-19, 5.362565302829699e-19, 5.369935315346099e-19, 5.372322558530759e-19, 5.3697750976827e-19, 5.36162001861564e-19, 5.346831928283819e-19, 5.32456167307122e-19, 5.2935435334369795e-19, 5.25223941981246e-19, 5.198902959666599e-19, 5.131435301608859e-19, 5.0473370500902e-19, 4.94356406950602e-19, 4.81643135359812e-19, 4.661436786024959e-19, 4.4730368356329e-19, 4.2443261211293992e-19, 3.9666368669245197e-19, 3.6290422283743798e-19, 3.21750713816514e-19, 2.71386291326724e-19, 2.0942851871331e-19, 1.3269371078685058e-19, 3.68664047836668e-20, -8.403592684759739e-20, -2.3858012256894e-19, -4.397029576115939e-19, -7.079073261431939e-19, -1.077646434501276e-18, -1.61142119317818e-18, -2.4349079395215e-18, -3.84078589232382e-18, -6.66917239138938e-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: 0.0 eV

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

Energy: 0.010304846440729412
Energy: 0.010914570005552373
Energy: 0.4456305414924542
Energy: 0.010914570005552373
Energy: 0.010914570005552373
Energy: 0.6834242198896837
Energy: 0.010914570005552373
Energy: 0.683424219888712
Energy: 0.4456305414924542
Energy: 0.010914570005552373
Energy: 0.010304846440729412
Energy: 0.05431469473851834
Energy: 0.010914570005552373
Energy: 0.6834242198882401
Energy: 0.05431469473851834
Energy: 0.683424219886269

minimum gb energy = 0.010304846440729412 eV
minimum distance =  2.76389650818067 Angstroms
sigma value = 1


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

Energy: 0.6538597921099969
Energy: 0.6386334779152177
Energy: 0.5632232516066366
Energy: 0.6386334777534567
Energy: 0.6359005984246789
Energy: 0.5482623884041308
Energy: 0.6128962664703772
Energy: 0.548308033105378
Energy: 0.554196687801402
Energy: 0.5534582035555884
Energy: 0.6368565943011502
Energy: 0.5534582041437902
Energy: 0.5981743593051502
Energy: 0.5933480350622921
Energy: 0.595765513302426
Energy: 0.5933485677134199
Energy: 0.6525107266579451
Energy: 0.6369772182506116
Energy: 0.5346347443470825
Energy: 0.6369772182512177
Energy: 0.6221759082081644
Energy: 0.6535905821968565
Energy: 0.5535369301466916
Energy: 0.6535905714756718
Energy: 0.5560895821127103
Energy: 0.5872097599729945
Energy: 0.5819635453433833
Energy: 0.5872097602667922
Energy: 0.5554393380350667
Energy: 0.5835263731296205
Energy: 0.5754502058169902
Energy: 0.5835263759683169
Energy: 0.6392721402220797
Energy: 0.5737261833834064
Energy: 0.5672432702875482
Energy: 0.5737261833888609
Energy: 0.5572037736546999
Energy: 0.6079442586039885
Energy: 0.5619878821486287
Energy: 0.6079442586033823
Energy: 0.5599072844165889
Energy: 0.5794107741501613
Energy: 0.5590957135361315
Energy: 0.5794107741513733
Energy: 0.5612222844992533
Energy: 0.611725280886679
Energy: 0.5396823388733697
Energy: 0.6117252808860729
Energy: 0.5725397095615778
Energy: 0.5928105974604072
Energy: 0.6027736312596395
Energy: 0.5928105974616193
Energy: 0.6121604796306193
Energy: 0.6212646243238593
Energy: 0.5626875193616889
Energy: 0.6212646243171928
Energy: 0.584543124364721
Energy: 0.6283978203474961
Energy: 0.5334189518756036
Energy: 0.6283978203474961
Energy: 0.5310222547752554
Energy: 0.5840815258955562
Energy: 0.5880580138169985
Energy: 0.5840815258955562
Energy: 0.5636696711298463
Energy: 0.5655502423123084
Energy: 0.5872500236084002
Energy: 0.5655502423159448
Energy: 0.5963548371192307
Energy: 0.5936942348344912
Energy: 0.6362293454529315
Energy: 0.5936942317080576
Energy: 0.5794033594112092
Energy: 0.5634293303581288
Energy: 0.5551086545306105
Energy: 0.5634293303581288
Energy: 0.615144826455668
Energy: 0.5867782642652386
Energy: 0.5948610450724171
Energy: 0.5867782642664507
Energy: 0.5260132608386023
Energy: 0.6197661409083064
Energy: 0.7336693107059458
Energy: 0.6197661409046976
Energy: 0.5433155100874161
Energy: 0.5722515149890752
Energy: 0.6177455881650561
Energy: 0.5722515149921056
Energy: 0.6213728827925108
Energy: 0.5968156318377428
Energy: 0.5491800215146665
Energy: 0.5968156318419853
Energy: 0.5749570468812882
Energy: 0.5965131047898307
Energy: 0.5491570260237573
Energy: 0.5965131047880126
Energy: 0.5766050815914691
Energy: 0.5850156820089084
Energy: 0.6640987981531074
Energy: 0.5850156819901207
Energy: 0.5661389405550176
Energy: 0.603177468695369
Energy: 0.5678358910273456
Energy: 0.603177468695369
Energy: 0.562868250303442
Energy: 0.5827265659088233
Energy: 0.5798154159211918
Energy: 0.5827265657706985
Energy: 0.5650007801039459
Energy: 0.6084522498781912
Energy: 0.5652866794459772
Energy: 0.6084522498775851
Energy: 0.5840929366067692
Energy: 0.5943133085287476
Energy: 0.5654412480719118
Energy: 0.5943133085650831
Energy: 0.5585078478432096
Energy: 0.6133704906206501
Energy: 0.5595901822956906
Energy: 0.613370490621256
Energy: 0.5204891214444872
Energy: 0.6320756171588667
Energy: 0.5899899508295693
Energy: 0.6320756171588667
Energy: 0.5837214475731982
Energy: 0.5885055818190006
Energy: 0.5596096701828668
Energy: 0.5885056261375229
Energy: 0.5681956329523112
Energy: 0.5391869473349329
Energy: 0.5559360600424403
Energy: 0.5391869482532957

minimum gb energy = 0.5204891214444872 eV
minimum distance =  2.52643174752895 Angstroms
sigma value = 1


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

Energy: 0.9256085265731011
Energy: 0.6725201614603128
Energy: 0.5975157872457991
Energy: 0.6725201616088164
Energy: 0.6686245736660232
Energy: 0.5739715630141429
Energy: 0.6365728287423054
Energy: 0.573970704061285
Energy: 0.586290427215512
Energy: 0.584294955414601
Energy: 0.6145798159090321
Energy: 0.584294955414601
Energy: 0.6197552702149717
Energy: 0.6490891940282739
Energy: 0.6278297124787535
Energy: 0.6490891940779949
Energy: 0.6805783770870695
Energy: 0.6560525033489696
Energy: 0.5503812234998589
Energy: 0.6560525033489696
Energy: 0.6367414051224908
Energy: 0.6668975550288846
Energy: 0.5656637780108748
Energy: 0.6668975546421093
Energy: 0.6003193487164107
Energy: 0.6244315001354366
Energy: 0.6849011498961503
Energy: 0.6244315001036502
Energy: 0.5857484481612161
Energy: 0.6158919971457534
Energy: 0.6087446276693124
Energy: 0.6158919971436803
Energy: 0.6455556433579694
Energy: 0.6071696800682722
Energy: 0.5834232498053635
Energy: 0.6071696801421783
Energy: 0.6077103567342582
Energy: 0.6319587662361142
Energy: 0.5959513051474589
Energy: 0.6319587662361142
Energy: 0.5786856686380224
Energy: 0.6195223078859583
Energy: 0.6134946375028283
Energy: 0.619522308279675
Energy: 0.5895577818252228
Energy: 0.6606235759074374
Energy: 0.5944404675185403
Energy: 0.6606235759060554
Energy: 0.5597335093252388
Energy: 0.6677347252628226
Energy: 0.6048688002083569
Energy: 0.6677347252648956
Energy: 0.6188846637874883
Energy: 0.6097511841986373
Energy: 0.5497292115920691
Energy: 0.6097511842000193
Energy: 0.6931688095404303
Energy: 0.6823558291459285
Energy: 0.5847064006425035
Energy: 0.6823558291445465
Energy: 0.6754765331933853
Energy: 0.6345843621205253
Energy: 0.623391906541684
Energy: 0.6345843620991042
Energy: 0.5846528554362979
Energy: 0.685205581584643
Energy: 0.5932264306715134
Energy: 0.6852055815818789
Energy: 0.608894104280446
Energy: 0.6084461365410562
Energy: 0.6445914493880326
Energy: 0.6084461379279691
Energy: 0.6143434802274443
Energy: 0.6552575012426416
Energy: 0.5498511629726701
Energy: 0.6552575012426416
Energy: 0.6443409857413818
Energy: 0.6182633805828043
Energy: 0.5536436519036577
Energy: 0.6182633814668843
Energy: 0.5743495917368785
Energy: 0.6296809510369926
Energy: 0.7062816058948825
Energy: 0.6296809510024421
Energy: 0.5858735414672228
Energy: 0.6554197004900896
Energy: 0.5894472211336594
Energy: 0.6554197004900896
Energy: 0.6484584964836881
Energy: 0.6308633561508529
Energy: 0.5987403762862232
Energy: 0.6308633561508529
Energy: 0.603682573531709
Energy: 0.6243751669224573
Energy: 0.586461757159375
Energy: 0.6243751669224573
Energy: 0.6159264130726249
Energy: 0.6210761103625732
Energy: 0.5989237060913334
Energy: 0.621076111049151
Energy: 0.5918250965632462
Energy: 0.6367823853922623
Energy: 0.5881055366620264
Energy: 0.6367823853922623
Energy: 0.5457486201298684
Energy: 0.6620886991807824
Energy: 0.5912017625872992
Energy: 0.6620886991814734
Energy: 0.6052309472705724
Energy: 0.6140987105541512
Energy: 0.6225321605168068
Energy: 0.6141003475733419
Energy: 0.5981733035467885
Energy: 0.5657446037672842
Energy: 0.5842875565752922
Energy: 0.5657446037665933

minimum gb energy = 0.5457486201298684 eV
minimum distance =  2.52892120421533 Angstroms
sigma value = 25


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

Energy: 0.8763260587053621
Energy: 0.7118976310072179
Energy: 0.6235261459737723
Energy: 0.7118976310072179
Energy: 0.6991417115760326
Energy: 0.6004839061899747
Energy: 0.67485054680164
Energy: 0.6004826405887308
Energy: 0.6173722911163797
Energy: 0.6204174263593653
Energy: 0.8123586949377746
Energy: 0.6204174263593653
Energy: 0.6348458734218274
Energy: 0.6448411813885289
Energy: 0.6719599732626582
Energy: 0.644841181518587
Energy: 0.6209270604467293
Energy: 0.7043165471843983
Energy: 0.5747520270704929
Energy: 0.7043165471852016
Energy: 0.6318636127959808
Energy: 0.6748521810180096
Energy: 0.5751386279725479
Energy: 0.6748521810180096
Energy: 0.6549766971106271
Energy: 0.6451820196194618
Energy: 0.6501189273567001
Energy: 0.6451820196194618
Energy: 0.6207222739451297
Energy: 0.6565600561472468
Energy: 0.5652840753132374
Energy: 0.6565600561512631
Energy: 0.611801574210158
Energy: 0.6496749150565269
Energy: 0.6013933378249491
Energy: 0.6496749147353613
Energy: 0.6258321305214769
Energy: 0.6706619640243363
Energy: 0.6257682366235697
Energy: 0.6706619640235331
Energy: 0.6209540073301255
Energy: 0.6997002679723284
Energy: 0.6033306300271156
Energy: 0.6997002679715253
Energy: 0.6277056182108941
Energy: 0.6405508690951219
Energy: 0.6473179440325827
Energy: 0.6405508690951219
Energy: 0.6193409266590423
Energy: 0.619906330118478
Energy: 0.615816817610124
Energy: 0.619906330118478
Energy: 0.6609942675801028
Energy: 0.6666774025278392
Energy: 0.708691098783124
Energy: 0.6666774005165206
Energy: 0.7624406847997711
Energy: 0.6202800497211083
Energy: 0.6179359420312038
Energy: 0.6202800497178952
Energy: 0.6663548385480463
Energy: 0.599633159561975
Energy: 0.6259337739731404
Energy: 0.5996331604700816
Energy: 0.5738944740472958
Energy: 0.6916276383444228
Energy: 0.6130628429284297
Energy: 0.691627638345226
Energy: 0.5795012669509461
Energy: 0.6509922536268297
Energy: 0.6661355076527801
Energy: 0.6509922536228315
Energy: 0.6842480125775782
Energy: 0.6495012309030778
Energy: 0.6240912261221299
Energy: 0.6495012309030778
Energy: 0.6474124633318034
Energy: 0.6589175168766327
Energy: 0.6063549601712122
Energy: 0.6589175168766327
Energy: 0.6229470769517931
Energy: 0.6590390394315113
Energy: 0.6361403430099475
Energy: 0.6590390394355278
Energy: 0.6103209408678382
Energy: 0.6673110678660126
Energy: 0.6191292512401553
Energy: 0.6673110678660126
Energy: 0.5928194610891695
Energy: 0.692479724996497
Energy: 0.6670842311249047
Energy: 0.692479724996497
Energy: 0.6372179050806657
Energy: 0.691308022605824
Energy: 0.6144955348029391
Energy: 0.691308022605824
Energy: 0.6063511508786129
Energy: 0.5874399757320143
Energy: 0.621503907775162
Energy: 0.5874399757223752

minimum gb energy = 0.5652840753132374 eV
minimum distance =  2.54321250181215 Angstroms
sigma value = 9


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

Energy: 0.8736523263495138
Energy: 0.7517179321245759
Energy: 0.666554234668136
Energy: 0.7517179322931632
Energy: 0.7226996925222713
Energy: 0.6379223641163647
Energy: 0.670388174268392
Energy: 0.6379223641192395
Energy: 0.6714985566321875
Energy: 0.7770163260519445
Energy: 1.0052950233233942
Energy: 0.7770163260509863
Energy: 0.6813313119328847
Energy: 0.6849079145091308
Energy: 0.7191001950201941
Energy: 0.6849079145091308
Energy: 0.6596218274569156
Energy: 0.7229854831239266
Energy: 0.6027039118734724
Energy: 0.7229854831229684
Energy: 0.6845890750867798
Energy: 0.7194618466850912
Energy: 0.5944338690863429
Energy: 0.7194618466850912
Energy: 0.600094984783202
Energy: 0.6961755646018172
Energy: 0.6807344331280953
Energy: 0.6961755646142744
Energy: 0.6282538710333566
Energy: 0.6997696197057596
Energy: 0.6424951260838929
Energy: 0.6997696197105507
Energy: 0.6342848753644369
Energy: 0.7381422154321461
Energy: 0.6754317362466798
Energy: 0.7381422154321461
Energy: 0.7270393969630403
Energy: 0.7411121852968194
Energy: 0.6321542803788619
Energy: 0.7411121852977776
Energy: 0.6346429306331626
Energy: 0.7321013643089255
Energy: 0.5956838125164237
Energy: 0.7321013643098837
Energy: 0.7453143825873498
Energy: 0.5830550621154901
Energy: 0.6043429265656517
Energy: 0.5830550621135735
Energy: 0.6961074843469016
Energy: 0.7214926058594267
Energy: 0.7401596469591482
Energy: 0.7214926058594267
Energy: 0.6987289158223439
Energy: 0.6884449155126975
Energy: 0.7217825173310009
Energy: 0.6884449176821837
Energy: 0.7470051252600155
Energy: 0.7254115960754246
Energy: 0.6265864722137939
Energy: 0.7254115960754246
Energy: 0.6909942900363804
Energy: 0.679278679671587
Energy: 0.6006431579385811
Energy: 0.679278679623696
Energy: 0.5984822968981631
Energy: 0.7043327837076966
Energy: 0.6623772194076378
Energy: 0.7043327837076966
Energy: 0.5924671863194205
Energy: 0.7127386701406823
Energy: 0.6561279821416522
Energy: 0.7127386701406823
Energy: 0.637108778515956
Energy: 0.7068794343699895
Energy: 0.6772336706032231
Energy: 0.7068794343709477
Energy: 0.6788543333651257
Energy: 0.7362209398790112
Energy: 0.664656275613599
Energy: 0.7362209398790112
Energy: 0.6764752804756248
Energy: 0.6679797848276197
Energy: 0.6700231322249142
Energy: 0.6679797664881036

minimum gb energy = 0.5830550621135735 eV
minimum distance =  2.45997169946167 Angstroms
sigma value = 25


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

Energy: 0.6989791097629935
Energy: 0.7584365636120762
Energy: 0.685416352202185
Energy: 0.7584365636120762
Energy: 0.5851014698290181
Energy: 0.6169930509063221
Energy: 0.6147560040960749
Energy: 0.6169930509063221
Energy: 0.6945847168464302
Energy: 0.7590147130003642
Energy: 0.8511953801139717
Energy: 0.7590147130003642
Energy: 0.5870822207685474
Energy: 0.6571000452964545
Energy: 0.6043943795661616
Energy: 0.6571000452964545
Energy: 0.6571669693099716
Energy: 0.7776176569636207
Energy: 0.6111644775115801
Energy: 0.7776176569636207
Energy: 0.5848570754102679
Energy: 0.7204025735985935
Energy: 0.6002671188665583
Energy: 0.7204025735997786
Energy: 0.5991651006511031
Energy: 0.7396479841245669
Energy: 0.6550229204834435
Energy: 0.7396479841245669
Energy: 0.5938406385352082
Energy: 0.7293576728123501
Energy: 0.5962551593599966
Energy: 0.729357672811165
Energy: 0.6828809209952078
Energy: 0.7725356206991931
Energy: 0.5814230562156499
Energy: 0.7725356125294259
Energy: 0.6000858707219403
Energy: 0.8208857709522421
Energy: 0.7874023780734151
Energy: 0.8208857706252984
Energy: 0.8517418652827506
Energy: 0.7591469561072083
Energy: 0.6776584340768174
Energy: 0.7591469561060232
Energy: 0.6880272239737194
Energy: 0.6176442770095774
Energy: 0.5978735793139427
Energy: 0.6176442770131326
Energy: 0.585873918538209
Energy: 0.7468033496008414
Energy: 0.655441743572358
Energy: 0.7468033496008414
Energy: 0.5992996980710107
Energy: 0.663631150964086
Energy: 0.5844995300374954
Energy: 0.663631150964086
Energy: 0.6572685176515249
Energy: 0.6852415024005869
Energy: 0.5909154878969053
Energy: 0.6852415024017718
Energy: 0.5909474426568926
Energy: 0.7390932233935581
Energy: 0.5967728664938604
Energy: 0.7390932233935581
Energy: 0.5751029484532728
Energy: 0.6106277206039479
Energy: 0.5931565984481033
Energy: 0.6106277206039479

minimum gb energy = 0.5751029484532728 eV
minimum distance =  2.6027271892403 Angstroms
sigma value = 17


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

Energy: 0.9599379800933111
Energy: 0.8564780663239484
Energy: 0.7618264876971412
Energy: 0.8564780663192503
Energy: 0.6713106898494303
Energy: 0.6849972783096151
Energy: 0.6769741683994848
Energy: 0.6849972783082726
Energy: 0.6442232174918029
Energy: 0.7603249257117094
Energy: 0.8697445955310001
Energy: 0.7603249257117094
Energy: 0.6489250799217628
Energy: 0.6980434635232383
Energy: 0.6745564667931828
Energy: 0.6980434632958048
Energy: 0.727689181676377
Energy: 0.7578340655419032
Energy: 0.604527620655065
Energy: 0.7578340655419032
Energy: 0.6811317703888373
Energy: 0.7229870191240855
Energy: 0.6495220052969709
Energy: 0.7229870191234142
Energy: 0.753696881591936
Energy: 0.6776474294988142
Energy: 0.6525010071842064
Energy: 0.6776474226754163
Energy: 0.6831778150669189
Energy: 0.8192659938557052
Energy: 0.6451924148694348
Energy: 0.8192659938570475
Energy: 0.7403604077443213
Energy: 0.8328655914346504
Energy: 0.8786098298409322
Energy: 0.8328655914353216
Energy: 0.7403591236171729
Energy: 0.6840973156700655
Energy: 0.6929521310506186
Energy: 0.6840973097583841
Energy: 0.7279508366448683
Energy: 0.7742058114879481
Energy: 0.6328257526114223
Energy: 0.7742058133133947
Energy: 0.6950939832965793
Energy: 0.674546935346934
Energy: 0.6166747987355623
Energy: 0.674546935346934
Energy: 0.6962523789570174
Energy: 0.6678126629593087
Energy: 0.6414739750883379
Energy: 0.6678126630921384
Energy: 0.6927834752196599
Energy: 0.6917033797473349
Energy: 0.6328662862751929
Energy: 0.6917033798627448
Energy: 0.7269402271329206
Energy: 0.7345919302966064
Energy: 0.8452516648433459
Energy: 0.7345919304898104
Energy: 0.7503668250699994
Energy: 0.8367215691248115
Energy: 0.6842565901537246
Energy: 0.8367215688517694
Energy: 0.6961848275782354
Energy: 0.8222331309699358
Energy: 0.6441880051409618
Energy: 0.8222331309692644
Energy: 0.6945141939551236
Energy: 0.7360283249442381
Energy: 0.6630470979308764
Energy: 0.7360283201327791
Energy: 0.6795293582962102
Energy: 0.7187922332664148
Energy: 0.6494945717445171
Energy: 0.7187922332757807
Energy: 0.661198049420697
Energy: 0.7376528221518704
Energy: 0.6497675737835268
Energy: 0.7376528221525417
Energy: 0.6460094899504192
Energy: 0.6813336210719888
Energy: 0.6853822342603677
Energy: 0.681333621055881
Energy: 0.6371623554584448
Energy: 0.7603809909708384
Energy: 0.7928998990285618
Energy: 0.7603809909708384
Energy: 0.676800686385984
Energy: 0.6823228738742376
Energy: 0.7321642863219504
Energy: 0.6823228718475334
Energy: 0.8774619521391536
Energy: 0.8215924863757451
Energy: 0.7421407285836563
Energy: 0.8215924863717486
Energy: 0.6461395365503656
Energy: 0.6604640237289144
Energy: 0.6942608106487916
Energy: 0.6604639299725796
Energy: 0.611512638613967
Energy: 0.7371558015156543
Energy: 0.7248594987153241
Energy: 0.7371558015183389
Energy: 0.6155876162902364
Energy: 0.6892099824320295
Energy: 0.679396855028621
Energy: 0.6892099824313582
Energy: 0.6022544161769408
Energy: 0.7600704641845999
Energy: 0.78671550039211
Energy: 0.7600704641845999
Energy: 0.6453726570737456
Energy: 0.7008653488887416
Energy: 0.6862705678225702
Energy: 0.7008653488894129
Energy: 0.9633628750917159
Energy: 0.8234665379203566
Energy: 0.7600125793828185
Energy: 0.8234665379203566

minimum gb energy = 0.6022544161769408 eV
minimum distance =  2.49189106225187 Angstroms
sigma value = 53


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

Energy: 0.8406342682723442
Energy: 0.7069548242564736
Energy: 0.6978027818246338
Energy: 0.7069548242564736
Energy: 0.8265673566392027
Energy: 0.6084140391156907
Energy: 0.7076662917353785
Energy: 0.6084140391141456
Energy: 0.6853374897234956
Energy: 0.7882030349805424
Energy: 0.7110889734514529
Energy: 0.7882030349805424
Energy: 0.7099628991818705
Energy: 0.6095179625348665
Energy: 0.7041175809410269
Energy: 0.6095179624962381
Energy: 0.7145602848741341
Energy: 0.7218075458306109
Energy: 0.5779221863903315
Energy: 0.7218075458321559
Energy: 0.710778036119591
Energy: 0.6691274695032496
Energy: 0.5767324841352923
Energy: 0.6691274693071225
Energy: 0.8673177480140204
Energy: 0.7725344960328905
Energy: 0.7031670866910026
Energy: 0.7725344960529773
Energy: 0.8334961556705681
Energy: 0.6101304821516503
Energy: 0.7038426781497578
Energy: 0.6101304820636125
Energy: 0.6901106456595606
Energy: 0.7832105633290108
Energy: 0.7141710541560552
Energy: 0.7832105633290108
Energy: 0.7056239999341144
Energy: 0.6092152380387152
Energy: 0.7131898886929315
Energy: 0.60921523803717
Energy: 0.7138088407931031
Energy: 0.6632902158852166
Energy: 0.5703388233539318
Energy: 0.6632902158852166
Energy: 0.7216390057053107
Energy: 0.6644379344721206
Energy: 0.5741552775275665
Energy: 0.6644379344721206
Energy: 0.8636899776070175
Energy: 0.6103951875112227
Energy: 0.7023757017679135
Energy: 0.6103951875112227

minimum gb energy = 0.5703388233539318 eV
minimum distance =  2.60558265278686 Angstroms
sigma value = 9


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

Energy: 0.8789080957348842
Energy: 0.8152163107922695
Energy: 0.7968284747251753
Energy: 0.8152163056476273
Energy: 0.7068890098337584
Energy: 0.6853956399926284
Energy: 0.8690655810722435
Energy: 0.6853956376409492
Energy: 0.6442103930212207
Energy: 0.7316960444598275
Energy: 0.7999445633772768
Energy: 0.731696044467262
Energy: 0.6148237299594788
Energy: 0.6630458728114298
Energy: 0.8420605268116583
Energy: 0.6630458728114298
Energy: 0.650658173296031
Energy: 0.6703460349831305
Energy: 0.8878864777978264
Energy: 0.670346033629514
Energy: 0.6653177320639259
Energy: 0.7726278819477281
Energy: 0.877594953572671
Energy: 0.7726278819465844
Energy: 0.8840663992893362
Energy: 0.8023596385361808
Energy: 0.77809129386736
Energy: 0.8023465517765779
Energy: 0.9246127140770376
Energy: 0.7214605333371064
Energy: 0.7800031541296477
Energy: 0.7214605334131405
Energy: 0.6592057823230841
Energy: 0.7570799732955442
Energy: 0.6845769758978486
Energy: 0.7570799732932568
Energy: 0.6445112925737732
Energy: 0.7303345269367115
Energy: 0.7683839719533799
Energy: 0.7303345269372835
Energy: 0.6761174827600214
Energy: 0.6890141760112158
Energy: 0.8768224312677433
Energy: 0.6890141760123596
Energy: 0.6949219939970301
Energy: 0.7817294482258073
Energy: 0.8771948683388965
Energy: 0.7817294478588157
Energy: 0.8951014848113047
Energy: 0.7384253441301614
Energy: 0.7309513613293647
Energy: 0.7384253441261581
Energy: 0.8691614965009751
Energy: 0.736843030445913
Energy: 0.7166707917710173
Energy: 0.73684303046021
Energy: 0.7455278266331513
Energy: 0.7280240397771878
Energy: 0.6794336089915697
Energy: 0.7280240397771878
Energy: 0.7431453020063402
Energy: 0.7310107340768155
Energy: 0.694657399801061
Energy: 0.7310107342911669
Energy: 0.7601879012054213
Energy: 0.7309492213280934
Energy: 0.7074031237949154
Energy: 0.730949221340103
Energy: 0.7512899580342022
Energy: 0.8149080238929655
Energy: 0.8116651426919818
Energy: 0.8149080236620294
Energy: 0.8265876124609675
Energy: 0.7214697653042079
Energy: 0.7394810292353305
Energy: 0.7214697653047799
Energy: 0.8058068008226127
Energy: 0.7405477195082438
Energy: 0.6787624475657646
Energy: 0.7405477247580862
Energy: 0.8120952466839557
Energy: 0.6742200912837786
Energy: 0.6540703023582229
Energy: 0.6742200912809191
Energy: 0.8787649921444137
Energy: 0.6869668402680558
Energy: 0.6445047493746602
Energy: 0.6869668403543839
Energy: 0.8866855652777416
Energy: 0.7809977077923053
Energy: 0.6596027745849568
Energy: 0.780997707788874
Energy: 0.7745300789982279
Energy: 0.7356948776435605
Energy: 0.8852951598949889
Energy: 0.7356948776252863
Energy: 0.7843937551485832
Energy: 0.7238458456073121
Energy: 0.9284805754824356
Energy: 0.7238458454684231
Energy: 0.6779346298408303
Energy: 0.7522444136270268
Energy: 0.6571972484119766
Energy: 0.7522444136258829
Energy: 0.7738101856284308
Energy: 0.7314686687509243
Energy: 0.6443890434849909
Energy: 0.7314686687526399
Energy: 0.825845391174415
Energy: 0.6919678558159157
Energy: 0.6760317558626445
Energy: 0.691967855804478
Energy: 0.8884876011246742
Energy: 0.7781891565350432
Energy: 0.7142275612158465
Energy: 0.7781891562452294
Energy: 0.7287293081946425
Energy: 0.6944117164094102
Energy: 0.8999913862558087
Energy: 0.6944117162207675
Energy: 0.706251523624471
Energy: 0.7628243868702209
Energy: 0.7904505349340196
Energy: 0.7628243868753678
Energy: 0.6597691227389023
Energy: 0.7004978361635754
Energy: 0.7787394658780232
Energy: 0.70049783626589
Energy: 0.6793073298265243
Energy: 0.7072044564390649
Energy: 0.7365728286873038
Energy: 0.7072044564390649
Energy: 0.6766909334978031
Energy: 0.7195489355031461
Energy: 0.7463856831681777
Energy: 0.720034479665664
Energy: 0.8793926835188021
Energy: 0.8299263121556951
Energy: 0.7781174174240187
Energy: 0.8299263122059947

minimum gb energy = 0.6148237299594788 eV
minimum distance =  2.50112126092493 Angstroms
sigma value = 73


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

Energy: 0.8668309714517115
Energy: 0.8037981351468609
Energy: 0.7589486555366757
Energy: 0.8037981351214761
Energy: 0.7799344186436528
Energy: 0.6968698627140394
Energy: 0.8351144808863277
Energy: 0.6968698627104101
Energy: 0.6629311073972403
Energy: 0.7337019591242993
Energy: 0.7252809397996247
Energy: 0.7337019591224846
Energy: 0.611382870170815
Energy: 0.6605572379322169
Energy: 0.8135843095615589
Energy: 0.6605572379975243
Energy: 0.6472536745365655
Energy: 0.6703950978002616
Energy: 0.8589645842013909
Energy: 0.6703952306705107
Energy: 0.6683448430464217
Energy: 0.7930962742314064
Energy: 0.8561687017642752
Energy: 0.7930962742323137
Energy: 0.9454222235801495
Energy: 0.7268478094810701
Energy: 0.7672919116063053
Energy: 0.7268479293984991
Energy: 0.8559250389853378
Energy: 0.7469139688105177
Energy: 0.744240855886827
Energy: 0.7469139688114251
Energy: 0.6668500505850453
Energy: 0.7458276674594928
Energy: 0.7361312033390743
Energy: 0.7458276674594928
Energy: 0.6537772510561952
Energy: 0.7483718562650036
Energy: 0.7490015435512244
Energy: 0.7483718562650036
Energy: 0.6956214010040971
Energy: 0.6454320765925023
Energy: 0.8708296411701671
Energy: 0.6454318832624522
Energy: 0.7004375637205338
Energy: 0.743355062828717
Energy: 0.7605898571335121
Energy: 0.7433550628160349
Energy: 0.7472544631266156
Energy: 0.6471801573352619
Energy: 0.7227054827541203
Energy: 0.6471799907271036
Energy: 0.7250833896217236
Energy: 0.7050496530857523
Energy: 0.6992317329012754
Energy: 0.7050512968232767
Energy: 0.7579419605410652
Energy: 0.6905581880815147
Energy: 0.6398420154403792
Energy: 0.6905581880815147
Energy: 0.8548297822657502
Energy: 0.7389804655186705
Energy: 0.6628050596023284
Energy: 0.738980465520485
Energy: 0.842148933384424
Energy: 0.730665066513852
Energy: 0.7110177403216918
Energy: 0.730665066508408
Energy: 0.7389329003209023
Energy: 0.7999455870411366
Energy: 1.0873497172028188
Energy: 0.7999455914724009
Energy: 0.7180014490705803
Energy: 0.7026244815543086
Energy: 0.7859154082958604
Energy: 0.7026244815543086
Energy: 0.6978541219868363
Energy: 0.7040210315840297
Energy: 0.7018743354536116
Energy: 0.704021031655668
Energy: 0.7238818092176678
Energy: 0.745727950678219
Energy: 0.6395793857623134
Energy: 0.7457279506773117
Energy: 0.8544712580463317
Energy: 0.7239893399631557
Energy: 0.7372467913564476
Energy: 0.723989339964063

minimum gb energy = 0.611382870170815 eV
minimum distance =  2.50044541662232 Angstroms
sigma value = 7


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

Energy: 1.0173728602904701
Energy: 0.8352197152990121
Energy: 0.7631069132518418
Energy: 0.8352197152990121
Energy: 0.7561116792280534
Energy: 0.7369377945571874
Energy: 0.8131394504463519
Energy: 0.736937794557829
Energy: 0.608141435488347
Energy: 0.7179798624184345
Energy: 0.6739294456686437
Energy: 0.717979877362634
Energy: 0.6072249642772912
Energy: 0.677628992331551
Energy: 0.7941589695554588
Energy: 0.6776289915863518
Energy: 0.6695080154827678
Energy: 0.7092104928600365
Energy: 0.7302312856617506
Energy: 0.7092104928613197
Energy: 0.7197950490593822
Energy: 0.7121318937068494
Energy: 0.7324072279648774
Energy: 0.7121318937081325
Energy: 0.7484584068592464
Energy: 0.6899496557081188
Energy: 0.6702286721196368
Energy: 0.689949656152532
Energy: 0.8246172484339249
Energy: 0.7062721069280784
Energy: 0.6473338463418011
Energy: 0.7062721069267952
Energy: 0.7927610366358766
Energy: 0.7267858616145112
Energy: 0.6257853111945486
Energy: 0.7267858616138696
Energy: 0.7276612645817762
Energy: 0.7129886702217504
Energy: 0.6133426363063446
Energy: 0.7129886702217504
Energy: 0.789231452789749
Energy: 0.7080458794197363
Energy: 0.8585233193230732
Energy: 0.7080458794197363
Energy: 0.7653255590331982
Energy: 0.7723901298247531
Energy: 0.8190206184562989
Energy: 0.7723901307834831
Energy: 0.6810519012180649
Energy: 0.7209900297908673
Energy: 0.7250273712132175
Energy: 0.7209900297934337
Energy: 0.6744960054234082
Energy: 0.6814273116747653
Energy: 0.6125753671380976
Energy: 0.6814273116991454
Energy: 0.7380504758434393
Energy: 0.7096534697463508
Energy: 0.6196357367695288
Energy: 0.7096534697463508
Energy: 0.7687154793727714
Energy: 0.7884357933341121
Energy: 0.7644696471806013
Energy: 0.7884357933386031
Energy: 0.853521335682693
Energy: 0.7155626397640212
Energy: 0.7933574553050537
Energy: 0.7155626397633795
Energy: 0.6151683925778522
Energy: 0.7802432725883048
Energy: 0.675970441302107
Energy: 0.7802432725876632
Energy: 0.626525432341223
Energy: 0.7394015744629805
Energy: 0.7929693680983629
Energy: 0.7394015744610558
Energy: 0.6380423865972134
Energy: 0.7063394464187706
Energy: 0.8168215213413099
Energy: 0.7063394464258279
Energy: 0.6980934482867968
Energy: 0.6597470942384203
Energy: 0.7281934682016498
Energy: 0.6597467890181206
Energy: 0.7556570214258516
Energy: 0.6777937963657077
Energy: 0.6670888029768215
Energy: 0.6777937963592917
Energy: 0.7510306644227884
Energy: 0.6874129227682896
Energy: 0.664970711827402
Energy: 0.6874129227670064
Energy: 0.7990568509594581
Energy: 0.6793347679052311
Energy: 0.607077601042802
Energy: 0.6793347679045895
Energy: 0.7285094869381489
Energy: 0.7149707002816353
Energy: 0.6076588468193548
Energy: 0.7149703932676139
Energy: 0.7783084495723588
Energy: 0.7373343909827801
Energy: 0.6868831877721643
Energy: 0.7373343909827801
Energy: 0.7845785058264595
Energy: 0.8134063795219612
Energy: 0.8718323144718574
Energy: 0.8134063795296602
Energy: 0.7054817138449669
Energy: 0.7089328497564962
Energy: 0.7562718787214989
Energy: 0.7089328497545715
Energy: 0.6772265176088507
Energy: 0.7106108320064584
Energy: 0.6915584688706329
Energy: 0.7106108320045336
Energy: 0.7209410010291387
Energy: 0.7222682467175964
Energy: 0.6145813929410845
Energy: 0.7222682467137468
Energy: 0.7707355204897456
Energy: 0.7119796740749668
Energy: 0.7683067300287731
Energy: 0.7119796740756082

minimum gb energy = 0.607077601042802 eV
minimum distance =  2.50408691455661 Angstroms
sigma value = 29


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

Energy: 0.5613328390260093
Energy: 0.7026909315566093
Energy: 0.6599747519389547
Energy: 0.7026909315570563
Energy: 0.56047000192541
Energy: 0.6965909641591731
Energy: 0.6206611266377086
Energy: 0.6965909641593966
Energy: 0.72158910289184
Energy: 0.7429381687245815
Energy: 0.6110407380242703
Energy: 0.7429381033593578
Energy: 0.568595055803384
Energy: 0.6697473955112897
Energy: 0.5756817725708464
Energy: 0.669747395515213
Energy: 0.6607245625187295
Energy: 0.6543365603819127
Energy: 0.566285377822037
Energy: 0.6543365603758042
Energy: 0.6925524812850831
Energy: 0.7159754618071034
Energy: 0.5674405090061275
Energy: 0.7159754618055887
Energy: 0.5683896402096127
Energy: 0.5732317579507983
Energy: 0.6837921116058252
Energy: 0.5732317581901968
Energy: 0.575319875463851
Energy: 0.6970595904851778
Energy: 0.5600119359626019
Energy: 0.6970595904851778
Energy: 0.560003674307158
Energy: 0.6965354570595956
Energy: 0.5806518152398213
Energy: 0.6965354570600178

minimum gb energy = 0.560003674307158 eV
minimum distance =  2.55796235577338 Angstroms
sigma value = 5


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

Energy: 0.7716889527031973
Energy: 0.7965234736446986
Energy: 0.7810326968024595
Energy: 0.7965234736453046
Energy: 0.6989733910376797
Energy: 0.6717592269557745
Energy: 0.6983784059209152
Energy: 0.671759226960623
Energy: 0.7031040788378865
Energy: 0.6617497550971537
Energy: 0.6859290840849848
Energy: 0.6617497548651458
Energy: 0.5874064881831517
Energy: 0.6618085543164434
Energy: 0.7025730278493835
Energy: 0.6618085543170495
Energy: 0.776840613713128
Energy: 0.6736359316918894
Energy: 0.7000419078767683
Energy: 0.6736359316937076
Energy: 0.6972934563739398
Energy: 0.670669762726581
Energy: 0.8690136690726683
Energy: 0.6706697627247629
Energy: 0.5922295831660889
Energy: 0.6290776580564139
Energy: 0.6949662231675499
Energy: 0.6290776580527776
Energy: 0.5951017808381581
Energy: 0.6177142093308444
Energy: 0.7758032985895315
Energy: 0.6177480832920262
Energy: 0.6932450263571921
Energy: 0.7182054592933439
Energy: 0.763556370895697
Energy: 0.7182054591915821
Energy: 0.6728880770444999
Energy: 0.7683010512073861
Energy: 0.7298965061370296
Energy: 0.7683010512085983
Energy: 0.6939698132761143
Energy: 0.6846320686765776
Energy: 0.5868833875540844
Energy: 0.6846320687280645
Energy: 0.8022806514748755
Energy: 0.7257962403726207
Energy: 0.5800190701135411
Energy: 0.7257962403871661
Energy: 0.7766958106398155
Energy: 0.7282206000042791
Energy: 0.7525259864853896
Energy: 0.7282206000533418
Energy: 0.6853793597988275
Energy: 0.7197805309487555
Energy: 0.6962487005931012
Energy: 0.7197805309487555
Energy: 0.5866022389954573
Energy: 0.7163274238290118
Energy: 0.7022873446441662
Energy: 0.7163274238271936
Energy: 0.6048145656054047
Energy: 0.6448528776258178
Energy: 0.7068232122890514
Energy: 0.6448528776258178
Energy: 0.7745487811932368
Energy: 0.8116805748009517
Energy: 1.0279009953607816
Energy: 0.8116805748015576
Energy: 0.709830944407612
Energy: 0.6726996982660692
Energy: 0.7932745409728061
Energy: 0.6726996982672813
Energy: 0.6858213624423937
Energy: 0.6655919831847609
Energy: 0.6835479213520651
Energy: 0.6655919831865791
Energy: 0.6952019510607059
Energy: 0.772774449250841
Energy: 0.5801308826404263
Energy: 0.7727744492502351
Energy: 0.6910947565455454
Energy: 0.6868159601765543
Energy: 0.7016402795490171
Energy: 0.6868159601777665
Energy: 0.8968349593398752
Energy: 0.6265704503153713
Energy: 0.7357445418477161
Energy: 0.6265704503159771
Energy: 0.6954817629162892
Energy: 0.6317726733208194
Energy: 0.5855111810860758
Energy: 0.6317726733468798
Energy: 0.7766254587506658
Energy: 0.6326229114446837
Energy: 0.5906844200858999
Energy: 0.632623601805524
Energy: 0.7779918914197725
Energy: 0.7218336911011171
Energy: 0.644080846690464
Energy: 0.7218336911005109
Energy: 0.730985367455721
Energy: 0.7675469307274346
Energy: 0.674561288970961
Energy: 0.7675469307074348
Energy: 0.6079731253765158
Energy: 0.706093472423341
Energy: 0.6938673161022827
Energy: 0.7060934724227349
Energy: 0.6188322495230731
Energy: 0.728496821481902
Energy: 0.5963808937153587
Energy: 0.7284968214776596
Energy: 0.7346426240311021
Energy: 0.8020455798401872
Energy: 0.7745541878936528
Energy: 0.8020455647973774
Energy: 0.6993213680339657
Energy: 0.7186742142133694
Energy: 0.6806436248978304
Energy: 0.7186742142127632
Energy: 0.6957166031628441
Energy: 0.7292934537942847
Energy: 0.5975913461382664
Energy: 0.7292934537967088
Energy: 0.6684531656944542
Energy: 0.643789536346722
Energy: 0.5904943452217079
Energy: 0.6437895363430857
Energy: 1.030119356126259
Energy: 0.6126740364788749
Energy: 0.7797863266282264
Energy: 0.6188737231923492

minimum gb energy = 0.5800190701135411 eV
minimum distance =  2.50211397819276 Angstroms
sigma value = 1


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

Energy: 0.8230756580293463
Energy: 0.745433323646662
Energy: 0.7509410543344787
Energy: 0.745433764948614
Energy: 0.6142013130456011
Energy: 0.6695956813614444
Energy: 0.6924614832142527
Energy: 0.6695956813731567
Energy: 0.6422331100152601
Energy: 0.6632142572988237
Energy: 0.6997580964270615
Energy: 0.6632142572979858
Energy: 0.5627561751521258
Energy: 0.6663612565010132
Energy: 0.6514211694433848
Energy: 0.6663612565010132
Energy: 0.7619143945189222
Energy: 0.6719721952612334
Energy: 0.7013858259555753
Energy: 0.6719721952620715
Energy: 0.5977150417136601
Energy: 0.6859544101933327
Energy: 0.7695652713780093
Energy: 0.6859544101933327
Energy: 0.5580672918959911
Energy: 0.59421538847333
Energy: 0.6496067571617676
Energy: 0.5942153817264836
Energy: 0.5661444048336943
Energy: 0.6113077072539486
Energy: 0.826983893768631
Energy: 0.6113077056474487
Energy: 0.6487137647757055
Energy: 0.7186513451803224
Energy: 0.7471372438219394
Energy: 0.7186513451794845
Energy: 0.6950850905767243
Energy: 0.5950246857729558
Energy: 0.6636215193677777
Energy: 0.577732579167137
Energy: 0.6463500783997175
Energy: 0.6636665893121612
Energy: 0.5474308632971592
Energy: 0.6650502934930792
Energy: 0.8380104405817512
Energy: 0.6611538902860201
Energy: 0.5719408216401843
Energy: 0.6611538902876961
Energy: 0.8346242668227144
Energy: 0.6220292247860202
Energy: 0.7615209440608601
Energy: 0.6220292247851823
Energy: 0.6526712247250127
Energy: 0.6668245399686131
Energy: 0.7033937042578813
Energy: 0.6668245399652611
Energy: 0.566681816650395
Energy: 0.7071368314838699
Energy: 0.6909749847988454
Energy: 0.7071368314838699
Energy: 0.574224492299227
Energy: 0.6666064994142218
Energy: 0.6530174595644368
Energy: 0.6666064994150598
Energy: 0.7487615642534631
Energy: 0.7885227281437066
Energy: 0.9957932956761585
Energy: 0.7884760893986718
Energy: 0.5824370696182921
Energy: 0.664505553388887
Energy: 0.6511542846710134
Energy: 0.664505553389725
Energy: 0.5578725714675463
Energy: 0.7171922583771371
Energy: 0.7429947248340097
Energy: 0.717192258377975
Energy: 0.5956689385409623
Energy: 0.7678869213081504
Energy: 0.8264905109330046
Energy: 0.7678869213064744
Energy: 0.6988243331508363
Energy: 0.7229394149274365
Energy: 0.6851682926208652
Energy: 0.7229394149274365
Energy: 0.7067551869656357
Energy: 0.6749246935145694
Energy: 0.5606747560974434
Energy: 0.6749246933093432
Energy: 0.6491186893205975
Energy: 0.611234602747527
Energy: 0.551573238731121
Energy: 0.6112346027424992
Energy: 0.8248719553948749
Energy: 0.6282901409897038
Energy: 0.7446467186324962
Energy: 0.628290743626973

minimum gb energy = 0.5474308632971592 eV
minimum distance =  2.51345325238269 Angstroms
sigma value = 17


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

Energy: 0.8722440398177848
Energy: 0.7837362732646698
Energy: 0.7747358022317502
Energy: 0.7837362732631159
Energy: 0.7236818720024591
Energy: 0.6511246097763659
Energy: 0.6330746840600553
Energy: 0.6511246097763659
Energy: 0.7140095603458952
Energy: 0.6995461690108297
Energy: 0.6440386753511403
Energy: 0.6995461690108297
Energy: 0.7263727667098382
Energy: 0.7015261044455373
Energy: 0.6521256943239856
Energy: 0.7015261044424769
Energy: 0.6774945972168261
Energy: 0.7193413023428519
Energy: 0.8182199833323208
Energy: 0.719341302342334
Energy: 0.5599425965591303
Energy: 0.6402975867940296
Energy: 0.7440767622061567
Energy: 0.6402975867940296
Energy: 0.552553803015124
Energy: 0.6028501358264267
Energy: 0.6489573308070641
Energy: 0.6028501388969117
Energy: 0.7170241626884599
Energy: 0.6296611420173497
Energy: 0.8725935788868016
Energy: 0.6296611420168319
Energy: 0.6990601880623947
Energy: 0.7177184962197121
Energy: 0.6823726911759749
Energy: 0.7177184962197121
Energy: 0.6410873463199194
Energy: 0.6551824813029594
Energy: 0.6552807664250532
Energy: 0.6551824813008877
Energy: 0.6973635908912544
Energy: 0.6358756952224345
Energy: 0.5527744360595904
Energy: 0.6358756952204099
Energy: 0.7331919171150415
Energy: 0.6680304423873185
Energy: 0.6288537018993691
Energy: 0.6680304413969866
Energy: 0.8599558777202501
Energy: 0.5896852988223734
Energy: 0.7312127245664335
Energy: 0.5896850443105549
Energy: 0.7351323286028576
Energy: 0.6231748134477918
Energy: 0.5569062343455105
Energy: 0.6231748134483098
Energy: 0.7296378131282764
Energy: 0.7010277300440784
Energy: 0.5630830125156562
Energy: 0.701027730017711
Energy: 0.7218383681076598
Energy: 0.7345499870177664
Energy: 0.6163494399998692
Energy: 0.7345499870167307
Energy: 0.6526700844026537
Energy: 0.7204675190325084
Energy: 0.8003039074694764
Energy: 0.7204675190382057
Energy: 0.5737995263602861
Energy: 0.7137222848160776
Energy: 0.7029206299859331
Energy: 0.7137222848165955
Energy: 0.5851901195275226
Energy: 0.601113091622271
Energy: 0.6735346994531215
Energy: 0.6011104870352137
Energy: 0.7765336343707447
Energy: 0.7995411358176782
Energy: 0.8723496685522072
Energy: 0.7995411360900159
Energy: 0.6438706437067725
Energy: 0.6371904106056303
Energy: 0.7254090030374652
Energy: 0.6371904106056303
Energy: 0.644764660209787
Energy: 0.6975566747579596
Energy: 0.7136896757773924
Energy: 0.6975566747548521
Energy: 0.6585527304596782
Energy: 0.6989912444379786
Energy: 0.7190792798319227
Energy: 0.6989912444359068
Energy: 0.796189191253764
Energy: 0.6620610580171464
Energy: 0.6735617921251501
Energy: 0.6620610577852544
Energy: 0.739297931781683
Energy: 0.6509882378233237
Energy: 0.5712988972875407
Energy: 0.6509882378243596
Energy: 0.6450493799754355
Energy: 0.6894089901861667
Energy: 0.5665565662828832
Energy: 0.6894089901872027
Energy: 0.8717987485402792
Energy: 0.6438100838892666
Energy: 0.7139594687101797
Energy: 0.6415047155257941
Energy: 0.6785301006884993
Energy: 0.7014575379800139
Energy: 0.6975959656007346
Energy: 0.7014575379794958
Energy: 0.632292644674264
Energy: 0.6485065568127572
Energy: 0.634160923492347
Energy: 0.6485065567951477
Energy: 0.5621212461821622
Energy: 0.6299414671291199
Energy: 0.6942486420879349
Energy: 0.6299414671270481
Energy: 0.6950792763189605
Energy: 0.6392645095876911
Energy: 0.7369078052437729
Energy: 0.6392645095871732
Energy: 0.666141483374571
Energy: 0.6001398794953627
Energy: 0.7582766033764736
Energy: 0.6001398794803428
Energy: 0.5491073781883474
Energy: 0.6514456344381812
Energy: 0.6867594824104948
Energy: 0.6514456344386991
Energy: 0.5659854146194888
Energy: 0.6050866268095088
Energy: 0.7144990546092314
Energy: 0.6050866268095088
Energy: 0.7437462480382414
Energy: 0.7284860615743238
Energy: 0.7241637294269896
Energy: 0.7284860615743238
Energy: 0.7994666325786356
Energy: 0.6689525490582626
Energy: 0.646334586977838
Energy: 0.6689525490727648
Energy: 0.6973097576921738
Energy: 0.6558697322681583
Energy: 0.5576285487952772
Energy: 0.655869732269712
Energy: 0.6774884922317446
Energy: 0.6345497660997179
Energy: 0.5902983817959973
Energy: 0.6345497660562587

minimum gb energy = 0.5491073781883474 eV
minimum distance =  2.48849599098754 Angstroms
sigma value = 89


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

Energy: 0.9009782396240947
Energy: 0.5914986057745527
Energy: 0.6574401922230271
Energy: 0.5914986055374896
Energy: 0.6828095093311548
Energy: 0.6062406570418691
Energy: 0.5885663426613177
Energy: 0.6062406570418691
Energy: 0.4986422860091844
Energy: 0.6186694009147801
Energy: 0.6021070184210698
Energy: 0.6186692188641609
Energy: 0.4822297693194166
Energy: 0.6557820037824641
Energy: 0.5996365065193167
Energy: 0.6557820037824641
Energy: 0.6306964612945956
Energy: 0.6229473267446078
Energy: 0.7086951753678543
Energy: 0.6229473267446078
Energy: 0.5085725306991833
Energy: 0.6171044206528074
Energy: 0.7166996739959869
Energy: 0.6171044208966464
Energy: 0.4925694999673954
Energy: 0.5512900221885221
Energy: 0.6040260697788044
Energy: 0.55129004286474
Energy: 0.6391547959567139
Energy: 0.5315276680675991
Energy: 0.6837389704575093
Energy: 0.5315783029265421
Energy: 0.5888883886379862
Energy: 0.6023704904827711
Energy: 0.6830922921557555
Energy: 0.6023704904827711
Energy: 0.6953778319436419
Energy: 0.6417250085113932
Energy: 0.569425362932014
Energy: 0.6417250085113932
Energy: 0.6040358654148329
Energy: 0.5467719784988277
Energy: 0.47549100472297523
Energy: 0.545170875493126
Energy: 0.6113019867794969
Energy: 0.6145892186377506
Energy: 0.5144486370420159
Energy: 0.6145892190888392
Energy: 0.6879239402177418
Energy: 0.6216122076204492
Energy: 0.6282147319204116
Energy: 0.6216122075161316
Energy: 0.6021654295230245
Energy: 0.635581446492631
Energy: 0.4917479705635403
Energy: 0.6355814464845
Energy: 0.6823249849580381
Energy: 0.6027057785250335
Energy: 0.6358074271696993
Energy: 0.6027057785250335

minimum gb energy = 0.47549100472297523 eV
minimum distance =  2.53530781611597 Angstroms
sigma value = 13


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

Energy: 0.8015995911201246
Energy: 0.7136689696821013
Energy: 0.720541237529041
Energy: 0.7136689696815333
Energy: 0.7965880271475352
Energy: 0.5886638900732319
Energy: 0.5551585414866168
Energy: 0.5886638900738
Energy: 0.7326481603440235
Energy: 0.7100047831707952
Energy: 0.563916155950065
Energy: 0.7100047831696593
Energy: 0.6402435719720732
Energy: 0.6110727888439963
Energy: 0.5532039836570571
Energy: 0.6110727887730216
Energy: 0.5677966342968608
Energy: 0.5725024820582253
Energy: 0.7054210313176305
Energy: 0.5725024820599035
Energy: 0.5803405972588817
Energy: 0.6239214058744358
Energy: 0.7075563744509609
Energy: 0.6239214058750038
Energy: 0.5732306990444881
Energy: 0.5942616820293476
Energy: 0.7601612822080324
Energy: 0.5942616820276436
Energy: 0.7360203457973958
Energy: 0.5527677396767721
Energy: 0.8335687453238816
Energy: 0.5527677401542567
Energy: 0.5025758105426005
Energy: 0.5689946008983923
Energy: 0.8011175232564166
Energy: 0.5689946008983923
Energy: 0.4989956510371385
Energy: 0.5261974843423569
Energy: 0.7346102477989042
Energy: 0.5261974861949275
Energy: 0.6042366864647846
Energy: 0.6323991735401695
Energy: 0.8016283295565284
Energy: 0.6323991735401695
Energy: 0.6361271335607579
Energy: 0.6689208542463716
Energy: 0.7667818931306695
Energy: 0.6689208542469396
Energy: 0.7079790138708405
Energy: 0.7091452505086572
Energy: 0.6779334102031292
Energy: 0.7091468333515675
Energy: 0.6838936124658472
Energy: 0.6874053665995372
Energy: 0.6496205543400595
Energy: 0.6874053666778701
Energy: 0.7577490613849275
Energy: 0.6230131442545171
Energy: 0.6219115053622741
Energy: 0.6230131442618754
Energy: 0.7472043658075453
Energy: 0.5822224109280713
Energy: 0.4851921657586396
Energy: 0.5822224109405674
Energy: 0.7473835231640437
Energy: 0.5546860406976417
Energy: 0.49683246975420003
Energy: 0.5546860406987776
Energy: 0.8029684853116287
Energy: 0.55302963536593
Energy: 0.712962886489132
Energy: 0.5530296353466179
Energy: 0.8003447122899225
Energy: 0.5328312899871309
Energy: 0.5440429608513527
Energy: 0.532831289983155
Energy: 0.7607261005165147
Energy: 0.6702431423173236
Energy: 0.5605669859493527
Energy: 0.6702431423173236
Energy: 0.6344374679829441
Energy: 0.6295071634214227
Energy: 0.5947004233841275
Energy: 0.6295071629166737
Energy: 0.6715722543748113
Energy: 0.5134407117665012
Energy: 0.7033021415002652
Energy: 0.5134407117301488
Energy: 0.5695515533789467
Energy: 0.6249692780185885
Energy: 0.7071384175003415
Energy: 0.6249692780594589
Energy: 0.4950673651730619
Energy: 0.5775424352154453
Energy: 0.7873555539740899
Energy: 0.5775424352103333
Energy: 0.7230295128534341
Energy: 0.5268467641077218
Energy: 0.8001103117374507
Energy: 0.5268467645261599
Energy: 0.48399587279487066
Energy: 0.5233531670941357
Energy: 0.7955110036161005
Energy: 0.5233531672037088
Energy: 0.48820319895450975
Energy: 0.5323512650278408
Energy: 0.788278095892597
Energy: 0.5323512649898104
Energy: 0.6046393628831274
Energy: 0.5559132372517451
Energy: 0.8019446975825003
Energy: 0.5559132370836934
Energy: 0.6335287040976938
Energy: 0.5932283069621548
Energy: 0.7960038753828353
Energy: 0.5932283068690279
Energy: 0.5620771829510922
Energy: 0.7230255049783715
Energy: 0.6469213213386714
Energy: 0.7230255049783715
Energy: 0.6264027989484691
Energy: 0.6702098606416484
Energy: 0.6354348381723129
Energy: 0.6702096657398693
Energy: 0.7551227617090819
Energy: 0.6157585024000704
Energy: 0.5758913638434013
Energy: 0.6157585024012063
Energy: 0.7612607072744537
Energy: 0.6211130135074304
Energy: 0.5048659503727195
Energy: 0.6211130135091344
Energy: 0.7530582352680102
Energy: 0.6092706875454108
Energy: 0.48012923297224774
Energy: 0.6092706875437067
Energy: 0.8305845697363936
Energy: 0.5467940581943934
Energy: 0.6254743412508554
Energy: 0.5467940581943934

minimum gb energy = 0.48012923297224774 eV
minimum distance =  2.52265766113994 Angstroms
sigma value = 37


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

Energy: 0.7946149449774053
Energy: 0.577916334701061
Energy: 0.6171845533642549
Energy: 0.5779163211929326
Energy: 0.7236791282516032
Energy: 0.4932436530157774
Energy: 0.5616054171108058
Energy: 0.49324365262799447
Energy: 0.6827711214530754
Energy: 0.6653324912785976
Energy: 0.5948067300260139
Energy: 0.6653324912219404
Energy: 0.7447222236780467
Energy: 0.6084161321296925
Energy: 0.5580007542401573
Energy: 0.6084161321404421
Energy: 0.6272547857414401
Energy: 0.5537901042455232
Energy: 0.6485313992923252
Energy: 0.5537901042396599
Energy: 0.5896782606354298
Energy: 0.5972085680684047
Energy: 0.7206186126928328
Energy: 0.5972085680684047
Energy: 0.507614734614253
Energy: 0.5716502079955174
Energy: 0.7808853109102277
Energy: 0.5716502079955174
Energy: 0.7338182978145077
Energy: 0.6359302052055388
Energy: 0.908091880866133
Energy: 0.6359302052377651
Energy: 0.5324885333963857
Energy: 0.5448913765411151
Energy: 0.7914505835140923
Energy: 0.5448913769298753
Energy: 0.48823081711799005
Energy: 0.48162630912239635
Energy: 0.8503338863744933
Energy: 0.48162630912239635
Energy: 0.5734674217496232
Energy: 0.6065120900185595
Energy: 0.7076051526036505
Energy: 0.6065120900175823
Energy: 0.5883774579125992
Energy: 0.4716032848236303
Energy: 0.8546845319458928
Energy: 0.47160250879947835
Energy: 0.6595675189949585
Energy: 0.6510495334808732
Energy: 0.6684128335894962
Energy: 0.6510495334984411
Energy: 0.7686359858566214
Energy: 0.7463147038438923
Energy: 0.7445275798766541
Energy: 0.7463147038438923
Energy: 0.648531399291348
Energy: 0.578294238510923
Energy: 0.644989889565852
Energy: 0.5782942384708566
Energy: 0.7523701069939384
Energy: 0.5938802398339782
Energy: 0.5946490716080786
Energy: 0.5938802398339782
Energy: 0.7799649800257014
Energy: 0.5884875583898207
Energy: 0.51066398901102
Energy: 0.5884875583898207
Energy: 0.908091880866133
Energy: 0.5576213954541717
Energy: 0.6196772375952672
Energy: 0.5576213953799465
Energy: 0.7914505835131149
Energy: 0.4973064719650314
Energy: 0.45646293274024313
Energy: 0.4973064718526943
Energy: 0.8049082131987366
Energy: 0.5128567720253575
Energy: 0.45918683073998956
Energy: 0.5128567720273118

minimum gb energy = 0.45646293274024313 eV
minimum distance =  2.5330535102144 Angstroms
sigma value = 25


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

Energy: 0.934397877526879
Energy: 0.5649436944555314
Energy: 0.5707162751630922
Energy: 0.5649436944547682
Energy: 0.8121163309772745
Energy: 0.43924676119826256
Energy: 0.48667952876596815
Energy: 0.4392467611166467
Energy: 0.7723861673375625
Energy: 0.5364820569519398
Energy: 0.511415619662323
Energy: 0.5364820585842222
Energy: 0.6698630743375716
Energy: 0.5626519170430112
Energy: 0.5753683500379527
Energy: 0.5626519337037778
Energy: 0.7858814349935593
Energy: 0.6380897595750656
Energy: 0.6809428473271181
Energy: 0.6380897596017738
Energy: 0.5963615265915931
Energy: 0.6241026343226818
Energy: 0.6501736289314356
Energy: 0.6241026343234449
Energy: 0.6292873290399823
Energy: 0.5109730796622605
Energy: 0.6919538166318736
Energy: 0.5109730796622605
Energy: 0.5625360558597892
Energy: 0.5519027643200541
Energy: 0.8058665841519959
Energy: 0.5519027643200541
Energy: 0.5375876116617925
Energy: 0.5096852522761978
Energy: 0.8108961421549444
Energy: 0.5096852522693646
Energy: 0.5322170506878094
Energy: 0.5070227172519606
Energy: 0.8425598069579092
Energy: 0.5070227172573022
Energy: 0.6867496584182957
Energy: 0.7003274950688455
Energy: 0.8003509888909356
Energy: 0.7003274949727311
Energy: 0.45609226340228864
Energy: 0.5100616126982853
Energy: 0.8434878227937285
Energy: 0.5100616126990484
Energy: 0.436841964537586
Energy: 0.4431664763160303
Energy: 0.8423637521812368
Energy: 0.4431664763495715
Energy: 0.5337521507484384
Energy: 0.48555633813773547
Energy: 0.8716228634340261
Energy: 0.48555633789292263
Energy: 0.5573174408526723
Energy: 0.5643703348926301
Energy: 0.7745088046460628
Energy: 0.5643703348926301
Energy: 0.5057200707812888
Energy: 0.5742154468104932
Energy: 0.7725425098031644
Energy: 0.5742154335569195
Energy: 0.624495740056101
Energy: 0.6104741032459187
Energy: 0.8070720865801191
Energy: 0.6104741032459187
Energy: 0.5519618362254715
Energy: 0.6212981391232552
Energy: 0.7752229700745414
Energy: 0.6212981391224922
Energy: 0.6857069032607582
Energy: 0.6277961527581654
Energy: 0.6266126820714079
Energy: 0.6277961527589285
Energy: 0.7335039743249362
Energy: 0.646259817982134
Energy: 0.5972499775292298
Energy: 0.646259667915604
Energy: 0.804082653743404
Energy: 0.5643717347125542
Energy: 0.5600699493446011
Energy: 0.5643717346164395
Energy: 0.8154429622324835
Energy: 0.5291277173052905
Energy: 0.4465759360358823
Energy: 0.5291277173052905
Energy: 0.8420063352640567
Energy: 0.4413598792032286
Energy: 0.47610571830840476
Energy: 0.44135987920246555
Energy: 0.8023595986930311
Energy: 0.46556108367673915
Energy: 0.567491752800475
Energy: 0.4655610826729648
Energy: 0.8485830076467609
Energy: 0.4475468695157688
Energy: 0.40107530322554735
Energy: 0.4475471125844385
Energy: 0.7899684464967631
Energy: 0.475745152781032
Energy: 0.4444866959193274
Energy: 0.475745152781032

minimum gb energy = 0.40107530322554735 eV
minimum distance =  2.52452723734722 Angstroms
sigma value = 41


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

Energy: 0.962800052543554
Energy: 0.46045426292451325
Energy: 0.5405381913070035
Energy: 0.46045426292451325
Energy: 0.860235415528433
Energy: 0.4727954189971809
Energy: 0.4287971582591395
Energy: 0.4727954194724155
Energy: 0.7988723926472379
Energy: 0.4884993880127285
Energy: 0.4178055556657766
Energy: 0.4884993880127285
Energy: 0.748326774548085
Energy: 0.4974146921763711
Energy: 0.5212647412985177
Energy: 0.4974179196717569
Energy: 0.7325601619623767
Energy: 0.490542419250442
Energy: 0.6212853677409301
Energy: 0.49054241924981634
Energy: 0.6683242557502134
Energy: 0.4969446200384557
Energy: 0.5739546069232991
Energy: 0.4969446200390813
Energy: 0.7596389417823215
Energy: 0.6014502164691184
Energy: 0.6045908317762358
Energy: 0.6014502164703696
Energy: 0.5782946235846195
Energy: 0.6043335215877228
Energy: 0.639549871363909
Energy: 0.6043335215877228
Energy: 0.47705332535023237
Energy: 0.5679654160748788
Energy: 0.7342489357494428
Energy: 0.56796541607613
Energy: 0.47517870549788277
Energy: 0.5967545949607542
Energy: 0.735581675950597
Energy: 0.5967545949607542
Energy: 0.46434939740957215
Energy: 0.5400899293980742
Energy: 0.8555912574290869
Energy: 0.5400899293974486
Energy: 0.4614508004124189
Energy: 0.48234882955808817
Energy: 0.8606440414601718
Energy: 0.48234882955808817
Energy: 0.42993967551777784
Energy: 0.41760068299192415
Energy: 0.860106651729552
Energy: 0.41760068299129854
Energy: 0.538255166423369
Energy: 0.44050378048452243
Energy: 0.8553718793949564
Energy: 0.44050378193715567
Energy: 0.3711848679121246
Energy: 0.4116545295191885
Energy: 0.860778899052811
Energy: 0.41165452951856285
Energy: 0.374045840596652
Energy: 0.41926975841947045
Energy: 0.7934253504825514
Energy: 0.4192697584150911
Energy: 0.412500035482641
Energy: 0.4242960198145382
Energy: 0.8259026808978459
Energy: 0.42429601994335653
Energy: 0.4439611475179102
Energy: 0.4796010566401398
Energy: 0.7961811150665411
Energy: 0.4796010566407654
Energy: 0.4841259910265677
Energy: 0.491409965159174
Energy: 0.7608765523759291
Energy: 0.491409965159174
Energy: 0.5729878663282875
Energy: 0.5052591175954317
Energy: 0.714000450512401
Energy: 0.5052591175998109
Energy: 0.6392346578687103
Energy: 0.5753405267784356
Energy: 0.7316986049726792
Energy: 0.57534052677781
Energy: 0.5713842129787661
Energy: 0.601564293642743
Energy: 0.6963616170340657
Energy: 0.6015642934801703
Energy: 0.7347705379966465
Energy: 0.6173998994378329
Energy: 0.6662949201557425
Energy: 0.6173998994347049
Energy: 0.639519491046804
Energy: 0.6092048284364826
Energy: 0.5739206929941657
Energy: 0.6092048284377337
Energy: 0.7303637127002374
Energy: 0.565890520663446
Energy: 0.5297860886563435
Energy: 0.565890520659067
Energy: 0.7346166109314275
Energy: 0.5037283984828539
Energy: 0.5847589936337627
Energy: 0.5037283984816027
Energy: 0.783611818376955
Energy: 0.5035306516070512
Energy: 0.47135213334651654
Energy: 0.5035231652004577
Energy: 0.8541057882342892
Energy: 0.4814707389179604
Energy: 0.455474389803244
Energy: 0.4814707389173348
Energy: 0.7866761333884303
Energy: 0.49071863615399935
Energy: 0.5245225151637432
Energy: 0.4907186361533737
Energy: 0.737351750363049
Energy: 0.414109515169744
Energy: 0.3657391786550138
Energy: 0.4141095155755929
Energy: 0.8566329630684417
Energy: 0.4070965694151207
Energy: 0.3654921621434817
Energy: 0.40709656923878457
Energy: 0.8318536870803144
Energy: 0.4326178349983869
Energy: 0.5351568969099246
Energy: 0.4326178159489667

minimum gb energy = 0.3654921621434817 eV
minimum distance =  2.55223747687259 Angstroms
sigma value = 15


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

Energy: 0.8869389378514194
Energy: 0.4983640207042932
Energy: 0.5169902953225743
Energy: 0.4983640206995234
Energy: 0.8992744442173288
Energy: 0.3724054332805087
Energy: 0.383472174524368
Energy: 0.37240543367307777
Energy: 0.8681383619689249
Energy: 0.4462724622650759
Energy: 0.40837778878285674
Energy: 0.4462724622656058
Energy: 0.8465828717272759
Energy: 0.4925274052506434
Energy: 0.47171776871019233
Energy: 0.49252741351622575
Energy: 0.7848480568662004
Energy: 0.5188211809210611
Energy: 0.5626809345876157
Energy: 0.5188212418705829
Energy: 0.7596192046929324
Energy: 0.54537516454555
Energy: 0.5362308962418748
Energy: 0.5453751622104678
Energy: 0.7039386106536802
Energy: 0.5656768595952674
Energy: 0.644151670546062
Energy: 0.5656768595947372
Energy: 0.7475439849539417
Energy: 0.563333851725037
Energy: 0.6117679541529312
Energy: 0.563333851772205
Energy: 0.6892362139751014
Energy: 0.554307949671198
Energy: 0.6643766093190733
Energy: 0.554307949668548
Energy: 0.6391175505762506
Energy: 0.5667846067523017
Energy: 0.7037389340319639
Energy: 0.5667846067512416
Energy: 0.545227685106791
Energy: 0.5582154221800948
Energy: 0.79536921106872
Energy: 0.5582154221769149
Energy: 0.4806088293625905
Energy: 0.5212843575838361
Energy: 0.8082316661268794
Energy: 0.5212843574471981
Energy: 0.5131338718207283
Energy: 0.5573363550850723
Energy: 0.8130034764304153
Energy: 0.5573363550856024
Energy: 0.4587593832539222
Energy: 0.4532495000354882
Energy: 0.7957882573696815
Energy: 0.45324941790318635
Energy: 0.4157891252203249
Energy: 0.4152606683525408
Energy: 0.8074121245539363
Energy: 0.41530132270559655
Energy: 0.4335692214556604
Energy: 0.42892417976148
Energy: 0.8132465217148104
Energy: 0.4289241797789693
Energy: 0.40949987357133966
Energy: 0.4462110398620668
Energy: 0.8669744976858098
Energy: 0.4462110400866811
Energy: 0.3707215257607936
Energy: 0.4092250748923554
Energy: 0.9246164943297699
Energy: 0.4092250746613814
Energy: 0.38555322037195155
Energy: 0.3932767370412996
Energy: 0.7398630395403704
Energy: 0.38950367585544027
Energy: 0.4249764028432116
Energy: 0.390469870420539
Energy: 0.8422456695060158
Energy: 0.39046987041629916
Energy: 0.43955046895186
Energy: 0.4695224178203294
Energy: 0.8644775411591689
Energy: 0.46952244106756585
Energy: 0.4332260450852142
Energy: 0.5310915970910867
Energy: 0.8374002896574385
Energy: 0.5310915971164774
Energy: 0.5529328017733023
Energy: 0.499280879885177
Energy: 0.7569768649628494
Energy: 0.49928087988623704
Energy: 0.5865500898140384
Energy: 0.5169045811076064
Energy: 0.7879698167681286
Energy: 0.5169045812040142
Energy: 0.6115833225536987
Energy: 0.5347358120246665
Energy: 0.7039251457205782
Energy: 0.5347358120251964
Energy: 0.6666138437961278
Energy: 0.556083062256617
Energy: 0.7540734904622155
Energy: 0.5560830622502572
Energy: 0.6072741687085103
Energy: 0.5499871450206418
Energy: 0.6630512139135523
Energy: 0.5499871450222318
Energy: 0.6937634791325662
Energy: 0.5716989705974294
Energy: 0.703433499363447
Energy: 0.5716989705974294
Energy: 0.7026164862738572
Energy: 0.5628351472175982
Energy: 0.6358375056788228
Energy: 0.5628351472171164
Energy: 0.697895297711802
Energy: 0.550976267927359
Energy: 0.5385116989000961
Energy: 0.5509762679448001
Energy: 0.8128644129784471
Energy: 0.5463893236738272
Energy: 0.48608914836083217
Energy: 0.5463893236695874
Energy: 0.7561333924734792
Energy: 0.4875484437109434
Energy: 0.443206747667067
Energy: 0.4875484437114734
Energy: 0.8138973944589121
Energy: 0.44824209528339337
Energy: 0.40042002498782947
Energy: 0.4482417499993223
Energy: 0.8948858658628542
Energy: 0.40193966053995944
Energy: 0.40253070335794305
Energy: 0.40193970639927806
Energy: 0.9779911168710101
Energy: 0.6242587856159318
Energy: 0.5172269663239087
Energy: 0.624258850940565
Energy: 0.865654402557358
Energy: 0.3899903624209612
Energy: 0.33730321505954364
Energy: 0.38999036260794706
Energy: 0.8657154530264092
Energy: 0.383432510574265
Energy: 0.3638660313217569
Energy: 0.3834324333431017

minimum gb energy = 0.33730321505954364 eV
minimum distance =  2.53642097973653 Angstroms
sigma value = 85


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

Energy: 0.8986764531839745
Energy: 0.3740479728117575
Energy: 0.5950125366147069
Energy: 0.3740479728117575
Energy: 0.853026144645223
Energy: 0.39800709209945556
Energy: 0.36342739881717606
Energy: 0.3980070920971573
Energy: 0.7548345473844952
Energy: 0.3942333711707745
Energy: 0.3682795891670858
Energy: 0.39423371394186146
Energy: 0.7377483454223233
Energy: 0.32247777233676206
Energy: 0.35183329555059467
Energy: 0.32247777248746484
Energy: 0.8083905027112328
Energy: 0.45765786189197494
Energy: 0.4850390703157838
Energy: 0.4576716800681368
Energy: 0.6883746326034781
Energy: 0.5065970248199492
Energy: 0.48731129196645523
Energy: 0.5065970248125948
Energy: 0.7233283411978475
Energy: 0.5268322398163918
Energy: 0.6076985709273888
Energy: 0.5268322398163918
Energy: 0.7066777603653549
Energy: 0.500075620847519
Energy: 0.49902642798879016
Energy: 0.5000756208465996
Energy: 0.6906442655761159
Energy: 0.4992644012654511
Energy: 0.5932293531786027
Energy: 0.4992644012654511
Energy: 0.6492709942116799
Energy: 0.503593750655188
Energy: 0.7037803040551625
Energy: 0.5035937469051903
Energy: 0.6218857275049161
Energy: 0.5138127465230978
Energy: 0.6591057373962121
Energy: 0.5138127465226383
Energy: 0.5460667264930354
Energy: 0.5031978865744309
Energy: 0.7042279384007286
Energy: 0.5031978865735116
Energy: 0.5934567789349061
Energy: 0.48892693611596066
Energy: 0.7046657763173535
Energy: 0.48892693611596066
Energy: 0.4644473949052573
Energy: 0.5235906695623554
Energy: 0.629592373245518
Energy: 0.5235906695618959
Energy: 0.41919447670484516
Energy: 0.4705124932729744
Energy: 0.8067132183060824
Energy: 0.4705124932729744
Energy: 0.4715069872362473
Energy: 0.5028791924363833
Energy: 0.7016962036144759
Energy: 0.5028791924368431
Energy: 0.3847496073405786
Energy: 0.4463170215202988
Energy: 0.7438386186584377
Energy: 0.44631702151983904
Energy: 0.3590818731409166
Energy: 0.3893298487059615
Energy: 0.8544656346286323
Energy: 0.3893298484610722
Energy: 0.3784768000080991
Energy: 0.36347131226550994
Energy: 0.8025595824628744
Energy: 0.3634723898461612
Energy: 0.33144243974102
Energy: 0.34478851706120706
Energy: 0.8021906642982615
Energy: 0.34479335673109424
Energy: 0.2945830707356289
Energy: 0.32691987476915046
Energy: 0.8548246591592928
Energy: 0.326919862919564
Energy: 0.4844972182805437
Energy: 0.34743374701292745
Energy: 0.8544175996624633
Energy: 0.34731317198354117
Energy: 0.35838123071736766
Energy: 0.4036997589706082
Energy: 0.8504505503442754
Energy: 0.4036997589701486
Energy: 0.3604839944469527
Energy: 0.39167099260952104
Energy: 0.8567161800016085
Energy: 0.39167099260584376
Energy: 0.36469051378711265
Energy: 0.424963854096438
Energy: 0.7371009296625725
Energy: 0.424963854096438
Energy: 0.4598648811351713
Energy: 0.4121069231886689
Energy: 0.8051554862121558
Energy: 0.4121069231886689
Energy: 0.4838493668996763
Energy: 0.46650864167444456
Energy: 0.7582173496817255
Energy: 0.4665086416565182
Energy: 0.5619987111011346
Energy: 0.5027984857552215
Energy: 0.7387936773055698
Energy: 0.5027984857533827
Energy: 0.5929999598057388
Energy: 0.5002441849353753
Energy: 0.7045483221501428
Energy: 0.5002441849316981
Energy: 0.5958794086804924
Energy: 0.4812589691664183
Energy: 0.6516435255843305
Energy: 0.4812589691664183
Energy: 0.5933722805963477
Energy: 0.5106734973501154
Energy: 0.540643001593302
Energy: 0.5106734973501154
Energy: 0.6219695067078117
Energy: 0.5097503667188004
Energy: 0.5953830549235398
Energy: 0.5097503667119057
Energy: 0.705903764747342
Energy: 0.5071130854370414
Energy: 0.5625343838486577
Energy: 0.507113085437501
Energy: 0.7042048088303432
Energy: 0.49324589647708544
Energy: 0.5624628335435127
Energy: 0.49324589646191697
Energy: 0.6573265155221475
Energy: 0.5179158158207093
Energy: 0.47212749423762085
Energy: 0.5179158158207093
Energy: 0.8066053908411175
Energy: 0.4618891519670567
Energy: 0.4838918460796571
Energy: 0.46188915196659713
Energy: 0.8039490351090294
Energy: 0.4095754688185407
Energy: 0.4619139028143756
Energy: 0.40957546830580027
Energy: 0.8186871224392821
Energy: 0.459881133429787
Energy: 0.3671606148687668
Energy: 0.4598811334293273
Energy: 0.8564832680508205
Energy: 0.3870031099648341
Energy: 0.3598936402666685
Energy: 0.3869452397450129
Energy: 0.8023729400979182
Energy: 0.3529264385227622
Energy: 0.37202255009850027
Energy: 0.3529264385416079
Energy: 0.7876132171503383
Energy: 0.37261650651182276
Energy: 0.3697754427973804
Energy: 0.3726165064658786
Energy: 0.8554411526075555
Energy: 0.3485542894366364
Energy: 0.29828988623515845
Energy: 0.3485542894357172
Energy: 0.7556309713960974
Energy: 0.3592632868156167
Energy: 0.32542196820261904
Energy: 0.35926327735974484

minimum gb energy = 0.2945830707356289 eV
minimum distance =  2.55027503075541 Angstroms
sigma value = 113


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

Energy: 0.011658602877362464
Energy: 0.012286736163525727
Energy: 0.6785375463070251
Energy: 0.012286736163525727
Energy: 0.012417210784517543
Energy: 0.06120284346318442
Energy: 0.4855917514838029
Energy: 0.0612028434628507
Energy: 0.012201028143739677
Energy: 0.060196963114073014
Energy: 0.4830481382944734
Energy: 0.060196963114073014
Energy: 0.012930875411516921
Energy: 0.061417539426625624
Energy: 0.6758732576050287
Energy: 0.061417539426625624
Energy: 0.8957187839404791
Energy: 0.06071263302341403
Energy: 0.4859214546736498
Energy: 0.06071263302376738
Energy: 0.021441983471833556
Energy: 0.06001760168651873
Energy: 0.48320014047723486
Energy: 0.06001760168651873

minimum gb energy = 0.011658602877362464 eV
minimum distance =  2.82716967437607 Angstroms
sigma value = 1