Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
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=4.050000405311585
cohesive_energy=3.360264299713212
mass=26.981538
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: 0.010354755887219522
Energy: 0.011218906385486128
Energy: 0.7721622772980432
Energy: 0.011218906385985845
Energy: 0.011218906385985845
Energy: 0.4238761274574765
Energy: 0.011218906385486128
Energy: 0.4238761274574765
Energy: 0.7721622773014579
Energy: 0.011218906385985845
Energy: 0.010354755887219522
Energy: 0.011218906385486128
Energy: 0.011218906385985845
Energy: 0.4238761274574765
Energy: 0.011218906385486128
Energy: 0.4238761274574765

minimum gb energy = 0.010354755887219522 eV
minimum distance =  2.8462816972731 Angstroms
sigma value = 1


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

Energy: 0.5286100706702688
Energy: 0.5942768816637072
Energy: 0.5610687847287134
Energy: 0.5942768816631011
Energy: 0.5218775157128316
Energy: 0.5256651274442257
Energy: 0.5464241153170895
Energy: 0.5256651274442257
Energy: 0.5206704110856619
Energy: 0.5846344747602769
Energy: 0.5467789493675363
Energy: 0.5846344747602769
Energy: 0.5418448306013802
Energy: 0.5085619966302628
Energy: 0.5068058474129806
Energy: 0.5085619966296567
Energy: 0.5437711525322876
Energy: 0.5994125940531406
Energy: 0.6377465137346278
Energy: 0.5994125940525344
Energy: 0.5095649124842323
Energy: 0.6377832006597436
Energy: 0.5136341231677461
Energy: 0.6377832006591375
Energy: 0.6587061446631687
Energy: 0.5869188517270078
Energy: 0.5096522446667935
Energy: 0.5869188517257956
Energy: 0.5072511001212497
Energy: 0.5975631907746064
Energy: 0.5132675535083019
Energy: 0.5975631907752124
Energy: 0.506136157780395
Energy: 0.6167835228591408
Energy: 0.5832707385723434
Energy: 0.6167835228591408
Energy: 0.5132542516769003
Energy: 0.5846894996717102
Energy: 0.5051234621094676
Energy: 0.5846894996711041
Energy: 0.5921850521993719
Energy: 0.6345858007417755
Energy: 0.5063558416930778
Energy: 0.6345858007423816
Energy: 0.5631212808225086
Energy: 0.5979074247305579
Energy: 0.5180399501969469
Energy: 0.5979074247305579
Energy: 0.5459898686332296
Energy: 0.5559729211229401
Energy: 0.5862390979031324
Energy: 0.5559729211235461
Energy: 0.5516700079833884
Energy: 0.5929303730647998
Energy: 0.5070387118027191
Energy: 0.5929303730647998
Energy: 0.5229398377995447
Energy: 0.599540074024778
Energy: 0.524413234132888
Energy: 0.599540074024172
Energy: 0.5164703074740201
Energy: 0.5636817969002417
Energy: 0.5260593817337755
Energy: 0.5636817969002417
Energy: 0.5444645321869706
Energy: 0.5847377193137436
Energy: 0.5061623032613557
Energy: 0.5847377193125315
Energy: 0.546305341483997
Energy: 0.5536824433858393
Energy: 0.5837872515397333
Energy: 0.5536824433852333
Energy: 0.5366518892706911
Energy: 0.5963029925964385
Energy: 0.5170022908958501
Energy: 0.5963029925958324
Energy: 0.6118024776444164
Energy: 0.663381813278517
Energy: 0.506891147540677
Energy: 0.663381813278517
Energy: 0.5134681424030805
Energy: 0.5853147019230462
Energy: 0.5086592224537827
Energy: 0.5853147019236523
Energy: 0.5072013778432518
Energy: 0.6027464223502405
Energy: 0.6068476349960659
Energy: 0.6027464223538768
Energy: 0.6006543846740149
Energy: 0.5996082641575117
Energy: 0.5040984858757744
Energy: 0.5996082641562995
Energy: 0.5690748250546634
Energy: 0.5895291137443901
Energy: 0.5098866502946154
Energy: 0.5895291137456022
Energy: 0.5101612167969541
Energy: 0.5962445777517725
Energy: 0.6120949434237605
Energy: 0.5962445777547752
Energy: 0.5374378794629036
Energy: 0.597394122621943
Energy: 0.5461561172125037
Energy: 0.5973941226225492
Energy: 0.5186338023247339
Energy: 0.614961919588677
Energy: 0.5061534056979945
Energy: 0.614961919588677
Energy: 0.5183024557450967
Energy: 0.5834051660835066
Energy: 0.5455988233221069
Energy: 0.5834051660835066
Energy: 0.5215865102604368
Energy: 0.5250566983496677
Energy: 0.5129938469835597
Energy: 0.5250566983496677
Energy: 0.5295936841599361
Energy: 0.5949431096904738
Energy: 0.5647102677530871
Energy: 0.5949431096904738
Energy: 0.509590546330427
Energy: 0.5274619309952042
Energy: 0.5460741399221386
Energy: 0.5274619309939923
Energy: 0.5320804308013981
Energy: 0.5864349358848849
Energy: 0.5511433777321634
Energy: 0.5864349358848849
Energy: 0.5438086661817264
Energy: 0.5101508571359077
Energy: 0.5088539328970444
Energy: 0.5101508571353017

minimum gb energy = 0.5040984858757744 eV
minimum distance =  2.63707163243886 Angstroms
sigma value = 1


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

Energy: 0.5397580672135645
Energy: 0.6357903725371072
Energy: 0.5858638025119286
Energy: 0.6357903725357252
Energy: 0.5336956144919502
Energy: 0.544686282011259
Energy: 0.5618843659212264
Energy: 0.5446862820043491
Energy: 0.5342869190815901
Energy: 0.6295215328827607
Energy: 0.535921723281648
Energy: 0.6295215328882885
Energy: 0.552489844687357
Energy: 0.5210741101419796
Energy: 0.5284807393743348
Energy: 0.5210741101412886
Energy: 0.5522954729355141
Energy: 0.6037385432401239
Energy: 0.5967590739000116
Energy: 0.6037385432394329
Energy: 0.5906786940915265
Energy: 0.6044124467317874
Energy: 0.5650282162796469
Energy: 0.6044124467366245
Energy: 0.6193552166781201
Energy: 0.6219666592344375
Energy: 0.5213847525548013
Energy: 0.6219666592372016
Energy: 0.5207698148770825
Energy: 0.6358515518199512
Energy: 0.5306200876143494
Energy: 0.6358515518192603
Energy: 0.521741117803649
Energy: 0.6385966722619028
Energy: 0.6411454028677633
Energy: 0.6385966722619028
Energy: 0.5316777780674418
Energy: 0.6347394694106497
Energy: 0.5866673948653174
Energy: 0.6347394694134137
Energy: 0.6002382517309817
Energy: 0.5604146181307471
Energy: 0.5721314655669747
Energy: 0.560414618127983
Energy: 0.5220025884991764
Energy: 0.6284623344239958
Energy: 0.5357036221904531
Energy: 0.6284623344295238
Energy: 0.5743276724597365
Energy: 0.6120385945633613
Energy: 0.5535559132246233
Energy: 0.6120385945626704
Energy: 0.5744979611211667
Energy: 0.6121216196760636
Energy: 0.5472071773385917
Energy: 0.6121216196739905
Energy: 0.5218842164469887
Energy: 0.6278360834986956
Energy: 0.5716766396266025
Energy: 0.6278360835007686
Energy: 0.6003521898148383
Energy: 0.5604279221402803
Energy: 0.5215714179984283
Energy: 0.5604279221388982
Energy: 0.5315534439227082
Energy: 0.6347965795515019
Energy: 0.5595128420247517
Energy: 0.6347965795515019
Energy: 0.5216485572433762
Energy: 0.6382308880343017
Energy: 0.6413400871755718
Energy: 0.6382308880287738
Energy: 0.5206347267955403
Energy: 0.6355425161261765
Energy: 0.524689759570201
Energy: 0.6355425161247945
Energy: 0.6194374921528075
Energy: 0.6221353583958572
Energy: 0.5249383641362259
Energy: 0.6221353583972392
Energy: 0.590553365090727
Energy: 0.6043728357051361
Energy: 0.5330550264282957
Energy: 0.6043728357023721
Energy: 0.5522994579902158
Energy: 0.6045979109155779
Energy: 0.5745066783067595
Energy: 0.6045979109183419
Energy: 0.5524303269841219
Energy: 0.5207627726166633
Energy: 0.5218661335718354
Energy: 0.5207627726159723
Energy: 0.5339600174456005
Energy: 0.6293727014110192
Energy: 0.5714277052089372
Energy: 0.6293727014103282
Energy: 0.533726011543838
Energy: 0.544701373351725
Energy: 0.5618612692051493
Energy: 0.544701373351725
Energy: 0.5397580672142555
Energy: 0.6357903725371072
Energy: 0.6574444671394987
Energy: 0.6357903725357252
Energy: 0.5336956144933321
Energy: 0.544686282011259
Energy: 0.5618843659219173
Energy: 0.54468628200504
Energy: 0.5342869190802082
Energy: 0.6295215328827607
Energy: 0.535921723281648
Energy: 0.6295215328882885
Energy: 0.552489844687357
Energy: 0.5210741101419796
Energy: 0.5179768955497194
Energy: 0.5210741101412886

minimum gb energy = 0.5179768955497194 eV
minimum distance =  2.61113592084693 Angstroms
sigma value = 25


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

Energy: 0.561999861202531
Energy: 0.6545376790886616
Energy: 0.6108449221542626
Energy: 0.6545376790886616
Energy: 0.5511776360131374
Energy: 0.5716448816215195
Energy: 0.5771638946182057
Energy: 0.571644881619913
Energy: 0.5471203529909535
Energy: 0.6815160906249466
Energy: 0.5543271035095381
Energy: 0.6815160906249466
Energy: 0.5521593039215903
Energy: 0.5405252033649023
Energy: 0.5376921350379235
Energy: 0.5405252033657056
Energy: 0.5396265960376936
Energy: 0.6703834376279613
Energy: 0.6266319268430495
Energy: 0.6703834376279613
Energy: 0.615923471541153
Energy: 0.6930293918775503
Energy: 0.6335034680751431
Energy: 0.6930293918775503
Energy: 0.6601849383293824
Energy: 0.665523433340217
Energy: 0.554143954113059
Energy: 0.665523433340217
Energy: 0.6849204813176146
Energy: 0.6556272930358551
Energy: 0.542460739321681
Energy: 0.6556272930358551
Energy: 0.5546992366848088
Energy: 0.5926744480914111
Energy: 0.6369774210060125
Energy: 0.5926744480914111
Energy: 0.555699830064497
Energy: 0.626570923618059
Energy: 0.5366765903131143
Energy: 0.6265709236204688
Energy: 0.5472982473166856
Energy: 0.5973563329066062
Energy: 0.55113469874401
Energy: 0.5973563329066062
Energy: 0.5577420277194922
Energy: 0.6567757678559243
Energy: 0.6020198493972007
Energy: 0.6567757678559243
Energy: 0.554393829938307
Energy: 0.6117827881989197
Energy: 0.5354935406349095
Energy: 0.6117827881989197
Energy: 0.5542771310925255
Energy: 0.5727673709109096
Energy: 0.5715149964099834
Energy: 0.5727673708916492
Energy: 0.5778270054696583
Energy: 0.6562736314960985
Energy: 0.5409579011124155
Energy: 0.6562736314952953
Energy: 0.591478253231186
Energy: 0.5388363958373158
Energy: 0.5396361473221295
Energy: 0.5388363958373158
Energy: 0.5355619897140261
Energy: 0.6815107280564814
Energy: 0.5352369146667455
Energy: 0.6815107280564814
Energy: 0.5377872575701939
Energy: 0.6081818319716992
Energy: 0.6315278876051389
Energy: 0.6081818319716992
Energy: 0.5518704715905001
Energy: 0.5406559123295853
Energy: 0.5398937201090641
Energy: 0.5406559123295853
Energy: 0.5722794378583301
Energy: 0.6928417823627383
Energy: 0.5762048576506925
Energy: 0.6928417823627383
Energy: 0.5406398385001836
Energy: 0.5981052361355238
Energy: 0.5759104686003251
Energy: 0.5981052361355238
Energy: 0.5747135210568975
Energy: 0.6560304197421142
Energy: 0.62832466054336
Energy: 0.6560304197421142
Energy: 0.5508345427034158
Energy: 0.571064063157893
Energy: 0.5795376559414211
Energy: 0.5710640631586963
Energy: 0.5478343462118647
Energy: 0.681331919867678
Energy: 0.5557943895436114
Energy: 0.681331919867678
Energy: 0.6369684687750918
Energy: 0.5409251858434151
Energy: 0.5376354413479556
Energy: 0.5409251858434151

minimum gb energy = 0.5352369146667455 eV
minimum distance =  2.61538058969915 Angstroms
sigma value = 9


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

Energy: 0.607960441270682
Energy: 0.6078953139097193
Energy: 0.6355485242005889
Energy: 0.6078953139125939
Energy: 0.5681325477487147
Energy: 0.6168111319076389
Energy: 0.5851215903864877
Energy: 0.6168111319066807
Energy: 0.5566196106924562
Energy: 0.6149066419117772
Energy: 0.5627567143193394
Energy: 0.6149066419098608
Energy: 0.6769676757033808
Energy: 0.5972555580498901
Energy: 0.5529635352458069
Energy: 0.5972555580508483
Energy: 0.6490609490182571
Energy: 0.6143310762791392
Energy: 0.6503465088008862
Energy: 0.6143310762781807
Energy: 0.5441747713254813
Energy: 0.6122553425525847
Energy: 0.573888786411325
Energy: 0.6122553425525847
Energy: 0.7051477775489755
Energy: 0.5524922408563646
Energy: 0.553104266671045
Energy: 0.5524922408554065
Energy: 0.6353750905426556
Energy: 0.5848248601999347
Energy: 0.5538205298609962
Energy: 0.584824860200893
Energy: 0.6073170482030448
Energy: 0.618019038153053
Energy: 0.566071752273431
Energy: 0.6180190381540113
Energy: 0.5868003729598412
Energy: 0.6077442990675773
Energy: 0.5735966855824063
Energy: 0.6077442990656609
Energy: 0.5534451184520042
Energy: 0.6312711363969186
Energy: 0.5720342734981844
Energy: 0.6312711363969186
Energy: 0.6315925242310192
Energy: 0.6177496430997468
Energy: 0.552984232225467
Energy: 0.6177496430997468
Energy: 0.545600519872369
Energy: 0.6401762966208904
Energy: 0.5452858490614441
Energy: 0.6401762966170573
Energy: 0.5860132995848103
Energy: 0.5673313694325731
Energy: 0.6066841045363095
Energy: 0.5673313694306565
Energy: 0.5458709042807672
Energy: 0.6403862312318483
Energy: 0.6351312909431694
Energy: 0.6403862312328066
Energy: 0.6315678714722506
Energy: 0.6179539868405789
Energy: 0.5528860719813582
Energy: 0.6179539868405789
Energy: 0.5533735976652719
Energy: 0.6314279463243558
Energy: 0.5627254429424124
Energy: 0.6314279463243558
Energy: 0.5869834758815426
Energy: 0.6077081388451061
Energy: 0.5736770424375406
Energy: 0.6077081388460643
Energy: 0.6072984103783191
Energy: 0.6181328417007906
Energy: 0.6045139729175059
Energy: 0.6181328417007906
Energy: 0.63534475218521
Energy: 0.5848403445923844
Energy: 0.5538737934276415
Energy: 0.584840344590468
Energy: 0.7050536173918031
Energy: 0.5524930305225656
Energy: 0.5530912313434632
Energy: 0.5524930305235238

minimum gb energy = 0.5441747713254813 eV
minimum distance =  2.67105380546094 Angstroms
sigma value = 25


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

Energy: 0.5758622310184633
Energy: 0.6544250284971934
Energy: 0.6656913715878882
Energy: 0.6544250284960085
Energy: 0.5638571169559035
Energy: 0.676029929517583
Energy: 0.5515978701525711
Energy: 0.676029929517583
Energy: 0.580492638281758
Energy: 0.6808835296476305
Energy: 0.5519475722249418
Energy: 0.6808835296476305
Energy: 0.6485652310817311
Energy: 0.6641488866017521
Energy: 0.6600235008236957
Energy: 0.6641488866017521
Energy: 0.6587815435522072
Energy: 0.5642738538137654
Energy: 0.7055589200038098
Energy: 0.5642738538149503
Energy: 0.5518037037071928
Energy: 0.6849406315964534
Energy: 0.5948504511229824
Energy: 0.6849406315964534
Energy: 0.644891353392594
Energy: 0.6161220654955732
Energy: 0.59165730444736
Energy: 0.6161220654955732
Energy: 0.6851557779106495
Energy: 0.6840563690045213
Energy: 0.5759780255905509
Energy: 0.6840563690033631
Energy: 0.5518849325936631
Energy: 0.6144243071941645
Energy: 0.5569101717835309
Energy: 0.6144243071953496
Energy: 0.676300187601408
Energy: 0.6427485626830709
Energy: 0.5795663681545741
Energy: 0.642748562684256
Energy: 0.607380798252023
Energy: 0.6636063415333991
Energy: 0.7495298490245509
Energy: 0.6636063415345842
Energy: 0.5797020401080519
Energy: 0.5793297321809351
Energy: 0.6767583212010748
Energy: 0.5793297321892306
Energy: 0.6649626051260873
Energy: 0.6281044830791803
Energy: 0.5399225137712725
Energy: 0.6281044830791803
Energy: 0.5915529973531284
Energy: 0.6666049362653687
Energy: 0.6483655079722035
Energy: 0.6666049362665537
Energy: 0.6196874254680984
Energy: 0.6659664571504316
Energy: 0.6851746387386952
Energy: 0.6659664571504316
Energy: 0.5581994763087645
Energy: 0.6290571295924384
Energy: 0.5517193946104887
Energy: 0.6290571295948084
Energy: 0.5815243245329161
Energy: 0.5926864256060266
Energy: 0.6744411525652025
Energy: 0.5926864256048416

minimum gb energy = 0.5399225137712725 eV
minimum distance =  2.63936754046221 Angstroms
sigma value = 17


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

Energy: 0.623653736675251
Energy: 0.7082779427212242
Energy: 0.7582220991511854
Energy: 0.7082779427198819
Energy: 0.6286790540705177
Energy: 0.641795352260767
Energy: 0.5570896429051182
Energy: 0.641795352260767
Energy: 0.6577180186702521
Energy: 0.6238046761633642
Energy: 0.5581528503803861
Energy: 0.6238046761633642
Energy: 0.6153164630056174
Energy: 0.6313308833206915
Energy: 0.6154340028334441
Energy: 0.6313308833200205
Energy: 0.6841518411128407
Energy: 0.576622872117052
Energy: 0.6455406321939363
Energy: 0.576622872116381
Energy: 0.5704100620116266
Energy: 0.6141272541920674
Energy: 0.6502940155209025
Energy: 0.614127254191396
Energy: 0.6264526510939706
Energy: 0.6421992700172938
Energy: 0.6007010010750797
Energy: 0.6421992700172938
Energy: 0.6484750192843889
Energy: 0.6320728125061162
Energy: 0.5743697449132029
Energy: 0.6320728125067875
Energy: 0.6203274228053268
Energy: 0.658068823597506
Energy: 0.6789368253126319
Energy: 0.658068823597506
Energy: 0.7348831194891884
Energy: 0.6665285893406786
Energy: 0.609334565576549
Energy: 0.6665285893400075
Energy: 0.5590545006155329
Energy: 0.612493485477303
Energy: 0.6605027053948872
Energy: 0.612493485477303
Energy: 0.6289780213308077
Energy: 0.6422131546430658
Energy: 0.630895858460478
Energy: 0.6422131546410522
Energy: 0.6711426318214652
Energy: 0.6796389323166252
Energy: 0.6401601137934043
Energy: 0.6796389323172964
Energy: 0.5614642818688181
Energy: 0.6633494603044023
Energy: 0.617258640122628
Energy: 0.6633494603050735
Energy: 0.6265054805303952
Energy: 0.6225611894996234
Energy: 0.6346230354023386
Energy: 0.6225611894989523
Energy: 0.6631498481626834
Energy: 0.6317940489304
Energy: 0.6491366252503985
Energy: 0.6317940489304
Energy: 0.595897663949478
Energy: 0.6401203340218142
Energy: 0.697495188378529
Energy: 0.6401203340224855
Energy: 0.6543042646483802
Energy: 0.6743757951247897
Energy: 0.5705155128712907
Energy: 0.6743757951247897
Energy: 0.5968982298067248
Energy: 0.70748359359249
Energy: 0.5570565496447112
Energy: 0.70748359359249
Energy: 0.599909741407369
Energy: 0.680969937966652
Energy: 0.6285729701281491
Energy: 0.6809699379659807
Energy: 0.6061616789233093
Energy: 0.6038953119983279
Energy: 0.6489498914666827
Energy: 0.6038953119996702
Energy: 0.6051424934258107
Energy: 0.6111457628701352
Energy: 0.7362156093980837
Energy: 0.6111457628687927
Energy: 0.6847058034315043
Energy: 0.6114909825181497
Energy: 0.564558679927683
Energy: 0.6114909825174786
Energy: 0.6065620145830005
Energy: 0.6689616894162228
Energy: 0.6476736833747541
Energy: 0.6689616894168938
Energy: 0.6069426923200316
Energy: 0.6807587963640118
Energy: 0.6495769386946105
Energy: 0.6807587963640118
Energy: 0.6941374368114269
Energy: 0.6133914184381826
Energy: 0.5651049914566324
Energy: 0.6133914184388538
Energy: 0.655241348581611
Energy: 0.6073922798705091
Energy: 0.7505231061535808
Energy: 0.6073922798691669
Energy: 0.6653338307495714
Energy: 0.6312335704493951
Energy: 0.6602622405777139
Energy: 0.6312335704500662
Energy: 0.6530472042629939
Energy: 0.6334716537040022
Energy: 0.5750861734532458
Energy: 0.6334716537053444
Energy: 0.5748403589227553
Energy: 0.7067292677144585
Energy: 0.6511781458080697
Energy: 0.7067292677144585

minimum gb energy = 0.5570565496447112 eV
minimum distance =  2.62849100301164 Angstroms
sigma value = 53


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

Energy: 0.5060676745249724
Energy: 0.5063640201634493
Energy: 0.651452546455555
Energy: 0.5063640201634493
Energy: 0.6514362723969168
Energy: 0.5626576725697072
Energy: 0.6050950690942044
Energy: 0.5626576725697072
Energy: 0.5192000357075593
Energy: 0.5206177703096132
Energy: 0.651742901028656
Energy: 0.5206177703096132
Energy: 0.5189407166412461
Energy: 0.5067608545440141
Energy: 0.5666562768993751
Energy: 0.5067608545440141
Energy: 0.6513486466895787
Energy: 0.5626323382676242
Energy: 0.6632058075632982
Energy: 0.562632338266079
Energy: 0.5060676745249724
Energy: 0.5063640201649944
Energy: 0.7087752389513343
Energy: 0.5063640201634493
Energy: 0.6514362723969168
Energy: 0.5626576725681621
Energy: 0.5646515329345193
Energy: 0.5626576725697072
Energy: 0.5192000357075593
Energy: 0.5206177703080679
Energy: 0.651742901030201
Energy: 0.5206177703111583
Energy: 0.5189407166412461
Energy: 0.5067608545440141
Energy: 0.5500769492485921
Energy: 0.5067608545409239
Energy: 0.6513486466895787
Energy: 0.5626323382676242
Energy: 0.6370447007145562
Energy: 0.562632338266079
Energy: 0.5060676745249724
Energy: 0.5063640201649944
Energy: 0.7268691949392794
Energy: 0.5063640201634493
Energy: 0.6514362723984619
Energy: 0.5626576725697072
Energy: 0.5646515329360645
Energy: 0.5626576725697072
Energy: 0.5192000357075593
Energy: 0.5206177703111583
Energy: 0.651742901028656
Energy: 0.5206177703111583

minimum gb energy = 0.5060676745249724 eV
minimum distance =  2.63368638930099 Angstroms
sigma value = 9


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

Energy: 0.565737899178419
Energy: 0.6523663811181821
Energy: 0.8282521281054096
Energy: 0.652366381118754
Energy: 0.7061141565450376
Energy: 0.5978371539427203
Energy: 0.5775141622638781
Energy: 0.5978371539404328
Energy: 0.6989043693827589
Energy: 0.5491345306658233
Energy: 0.5519445119996254
Energy: 0.549134530662964
Energy: 0.7493830872706438
Energy: 0.5838243522194048
Energy: 0.5803804355743349
Energy: 0.5838243522199765
Energy: 0.8163330141985334
Energy: 0.5751778005048755
Energy: 0.5452335077620468
Energy: 0.5751778005043038
Energy: 0.5507793756667928
Energy: 0.553716281264659
Energy: 0.7920298651182127
Energy: 0.553716281264659
Energy: 0.7786388359388527
Energy: 0.5835816091707352
Energy: 0.5803340458056282
Energy: 0.583581609171307
Energy: 0.633872693863053
Energy: 0.6059209237278657
Energy: 0.6383879320716834
Energy: 0.6059209237290094
Energy: 0.6193461520945519
Energy: 0.5920239442160761
Energy: 0.5623804588376268
Energy: 0.5920239442172198
Energy: 0.5975365797654896
Energy: 0.5658259790927272
Energy: 0.5770581424112583
Energy: 0.5658259790927272
Energy: 0.5868087791675894
Energy: 0.6963251052800833
Energy: 0.757662691323949
Energy: 0.696325105280655
Energy: 0.6587385084639515
Energy: 0.6231197521120847
Energy: 0.5806978258195329
Energy: 0.6231197521097972
Energy: 0.5845941619974075
Energy: 0.6293552382254476
Energy: 0.6983920472116871
Energy: 0.6293552382248757
Energy: 0.70410122840766
Energy: 0.6662201625745185
Energy: 0.5512519958773373
Energy: 0.6662201625750904
Energy: 0.5722354958624902
Energy: 0.588928676756225
Energy: 0.6120790695971406
Energy: 0.5889286767590843
Energy: 0.5861817017710464
Energy: 0.6123568373646774
Energy: 0.6740084690983877
Energy: 0.6123568373646774
Energy: 0.6121992796505576
Energy: 0.591155451642512
Energy: 0.57466002488941
Energy: 0.5911554516442277
Energy: 0.5594712046465703
Energy: 0.5759543295399758
Energy: 0.8177155412517271
Energy: 0.5759543295422634
Energy: 0.7530837613124405
Energy: 0.6494544845905483
Energy: 0.5587006687192095
Energy: 0.649454484591692
Energy: 0.5704017935797071
Energy: 0.5677358159882632
Energy: 0.6682129312694753
Energy: 0.5677358159882632
Energy: 0.6363139932327113
Energy: 0.6262850277492408
Energy: 0.6757687271285977
Energy: 0.6262850277503845
Energy: 0.6157944974132818
Energy: 0.5748086504803335
Energy: 0.5749120231696829
Energy: 0.5748086504814772
Energy: 0.5559534049466643
Energy: 0.5816608440288605
Energy: 0.6007089523168688
Energy: 0.581660844031148
Energy: 0.7678724599154049
Energy: 0.6985072241607574
Energy: 0.5902524761571596
Energy: 0.6985072241607574
Energy: 0.5699921077901685
Energy: 0.5858112366040054
Energy: 0.7892728973450771
Energy: 0.5858112366874474
Energy: 0.6024492834451177
Energy: 0.5522675862691524
Energy: 0.5894334486613249
Energy: 0.5522675862674369
Energy: 0.6244919628762425
Energy: 0.6545693699578581
Energy: 0.7029450631516574
Energy: 0.6545693699549987
Energy: 0.5811078102385971
Energy: 0.6233668847489756
Energy: 0.7304560020972445
Energy: 0.6233668847466881
Energy: 0.6154847954344409
Energy: 0.5407141105592455
Energy: 0.5811886375247721
Energy: 0.5407141105609611
Energy: 0.5699034254584789
Energy: 0.6982366731556479
Energy: 0.7656980825521392
Energy: 0.6982366731545042
Energy: 0.7147934353122088
Energy: 0.6116491043561496
Energy: 0.5897142360826098
Energy: 0.6116491043567214
Energy: 0.5688607246970825
Energy: 0.5772482583967733
Energy: 0.681854665856486
Energy: 0.5772482583973192
Energy: 0.5588442491296423
Energy: 0.6010107125054537
Energy: 0.5735164374760933
Energy: 0.6010107125003066
Energy: 0.6493368361869633
Energy: 0.6062058092259731
Energy: 0.6746037040123801
Energy: 0.6062058092236856
Energy: 0.5696756344357286
Energy: 0.6854792186175677
Energy: 0.7844805748805509
Energy: 0.6854792186152802

minimum gb energy = 0.5407141105592455 eV
minimum distance =  2.57359990914555 Angstroms
sigma value = 73


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

Energy: 0.5484187354704619
Energy: 0.5501571809614481
Energy: 0.82713645819739
Energy: 0.5501571809623553
Energy: 0.6584318085683314
Energy: 0.5553948580193658
Energy: 0.5690257745815905
Energy: 0.5553948580184586
Energy: 0.5734023773498181
Energy: 0.5287785712162967
Energy: 0.5399298325124426
Energy: 0.5287785712153894
Energy: 0.7112876662461269
Energy: 0.5839420378721452
Energy: 0.620824738517795
Energy: 0.5839420378721452
Energy: 0.7684469470919024
Energy: 0.5780981057196038
Energy: 0.5467499611090811
Energy: 0.5780981057186964
Energy: 0.6077494700891918
Energy: 0.5252944255745225
Energy: 0.7385954339025104
Energy: 0.5252944255754298
Energy: 0.7539620746310636
Energy: 0.6519352518553045
Energy: 0.5744561929865584
Energy: 0.6519352518553045
Energy: 0.6049313027080999
Energy: 0.5375735212247127
Energy: 0.7197826929133662
Energy: 0.53757352122562
Energy: 0.7737935023580099
Energy: 0.5051018469574503
Energy: 0.5053278464482945
Energy: 0.5051018469583577
Energy: 0.5760961421054394
Energy: 0.5689774145767776
Energy: 0.5766034379803467
Energy: 0.5689774145749629
Energy: 0.5614293231001665
Energy: 0.5287872343105429
Energy: 0.7114903349598902
Energy: 0.5287872343114504
Energy: 0.658669591718221
Energy: 0.5549050582350622
Energy: 0.5771966281059543
Energy: 0.5549050582341549
Energy: 0.5554355819696539
Energy: 0.5799668358997174
Energy: 0.8686565692937213
Energy: 0.5799668359006249
Energy: 0.7595167678663264
Energy: 0.5882339218518197
Energy: 0.6153219538609824
Energy: 0.5882339218509124
Energy: 0.5137159091123745
Energy: 0.6440685604216404
Energy: 0.6576786229697009
Energy: 0.6440685604198257
Energy: 0.6973236062036654
Energy: 0.5371538358565081
Energy: 0.6032922453856616
Energy: 0.5371538358556008
Energy: 0.5610954756764941
Energy: 0.5496035865584217
Energy: 0.5750794401385706
Energy: 0.5496035865575352
Energy: 0.5488020367387005
Energy: 0.549033396958883
Energy: 0.7244328002564737
Energy: 0.549033396958883
Energy: 0.6057534826885971
Energy: 0.5287492971603052
Energy: 0.6024686112210628
Energy: 0.5287492971630271
Energy: 0.5730913336455149
Energy: 0.6046809280962979
Energy: 0.8147000925084393
Energy: 0.6046809280972052
Energy: 0.7376909066016532
Energy: 0.5519080268240495
Energy: 0.6160742914130323
Energy: 0.5519080268249568
Energy: 0.6112770874429985
Energy: 0.5959500866051057
Energy: 0.7222094055835995
Energy: 0.5959500866051057

minimum gb energy = 0.5051018469574503 eV
minimum distance =  2.60935749061878 Angstroms
sigma value = 7


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

Energy: 0.5325987834253477
Energy: 0.5349290654349143
Energy: 0.846536771845601
Energy: 0.5349290654329896
Energy: 0.7939381089467047
Energy: 0.6133478434278484
Energy: 0.5913814216153886
Energy: 0.6133478434278484
Energy: 0.6832946242167306
Energy: 0.5924839873629262
Energy: 0.6208054378146259
Energy: 0.592483987364851
Energy: 0.7293957137585767
Energy: 0.5648427951316152
Energy: 0.5756855244643473
Energy: 0.5648427951303321
Energy: 0.6978330332195669
Energy: 0.5383672550986677
Energy: 0.5638476972667124
Energy: 0.5383672551012341
Energy: 0.5658581711196907
Energy: 0.5168612308661217
Energy: 0.7539220724993861
Energy: 0.5168612308603474
Energy: 0.6520552659542624
Energy: 0.6400459313045629
Energy: 0.6382753604020509
Energy: 0.6400459313026382
Energy: 0.5656308637001554
Energy: 0.52853108024578
Energy: 0.7850626326389173
Energy: 0.5285310802425721
Energy: 0.7142042279188705
Energy: 0.5626028012780536
Energy: 0.5721805773483879
Energy: 0.5626028012761289
Energy: 0.5884665087657336
Energy: 0.5369670522784687
Energy: 0.6749576953835672
Energy: 0.5369670522771857
Energy: 0.6332462937914313
Energy: 0.5474864430845169
Energy: 0.6204836139354282
Energy: 0.5474864430864416
Energy: 0.5041035413947824
Energy: 0.5582717153738869
Energy: 0.5966776331336695
Energy: 0.5582717153758117
Energy: 0.5109143206209954
Energy: 0.533254186791606
Energy: 0.5815526263333187
Energy: 0.5332541867922476
Energy: 0.6152478983329998
Energy: 0.5185263778455144
Energy: 0.6482927533569662
Energy: 0.5185263778467974
Energy: 0.581466274204943
Energy: 0.6867082980811493
Energy: 0.7563256445986677
Energy: 0.6867082980849989
Energy: 0.786248434136553
Energy: 0.5329565764844184
Energy: 0.5643564090746943
Energy: 0.5329565764844184
Energy: 0.5763953938874934
Energy: 0.5381238919814133
Energy: 0.6859169245239144
Energy: 0.5381238919814133
Energy: 0.5250585923934816
Energy: 0.603209014617192
Energy: 0.5924129041243767
Energy: 0.6032090146146256
Energy: 0.5468504486890802
Energy: 0.529421296649393
Energy: 0.6966527668142422
Energy: 0.5294212966506762
Energy: 0.5707818473494293
Energy: 0.5617501559189618
Energy: 0.6068631015874077
Energy: 0.5617501559176787
Energy: 0.5863388935419793
Energy: 0.5185115408646455
Energy: 0.5333934165125871
Energy: 0.5185115408672116
Energy: 0.5893833796588013
Energy: 0.5277112801896559
Energy: 0.646217129092834
Energy: 0.5277112801877311
Energy: 0.7288794786094221
Energy: 0.5987458785285502
Energy: 0.5945907965369096
Energy: 0.5987458785247006
Energy: 0.5351679302646365
Energy: 0.5345386725979862
Energy: 0.7777179600925281
Energy: 0.5345386725954198
Energy: 0.6498349149953124
Energy: 0.5379411008766871
Energy: 0.5538538210659516
Energy: 0.5379411008798658
Energy: 0.6520100688885105
Energy: 0.5604065622648784
Energy: 0.62652109073792
Energy: 0.5604065622648784
Energy: 0.5946626208291269
Energy: 0.5663679618905099
Energy: 0.5317565247648843
Energy: 0.5663679618905099
Energy: 0.6287130508367234
Energy: 0.5933217478816414
Energy: 0.5715659248217899
Energy: 0.5933217478784335
Energy: 0.5638685755379063
Energy: 0.5163184229898546
Energy: 0.690670577462997
Energy: 0.5163184229924209
Energy: 0.7351120065345238
Energy: 0.698420476039156
Energy: 0.5856689681277705
Energy: 0.6984204760365896
Energy: 0.5640003586343308
Energy: 0.5286644633290681
Energy: 0.672864415437827
Energy: 0.5286644633277852

minimum gb energy = 0.5041035413947824 eV
minimum distance =  2.60464174627662 Angstroms
sigma value = 29


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

Energy: 0.42857342817398253
Energy: 0.46808256909494306
Energy: 0.6307171966211307
Energy: 0.46808256909452095
Energy: 0.7106084829439706
Energy: 0.5095737276681452
Energy: 0.4288698869600205
Energy: 0.5095737276736082
Energy: 0.5511025757482967
Energy: 0.4463401022616354
Energy: 0.5531500247200144
Energy: 0.4463401022607663
Energy: 0.4294697692768218
Energy: 0.42648534963251944
Energy: 0.4289412439071289
Energy: 0.42649434504756334
Energy: 0.4286774397262623
Energy: 0.45860959262061857
Energy: 0.7637669823270244
Energy: 0.45860959261470874
Energy: 0.5759157479047727
Energy: 0.4449432470257463
Energy: 0.5760124599131288
Energy: 0.44494324702529925
Energy: 0.4245764686995186
Energy: 0.45810755165732314
Energy: 0.428701381625976
Energy: 0.45810755165578365
Energy: 0.43265545664015226
Energy: 0.4268718043128954
Energy: 0.4296265402257899
Energy: 0.4268718043118028
Energy: 0.5532005139666656
Energy: 0.446032263669795
Energy: 0.6872368726096293
Energy: 0.44603226366890103

minimum gb energy = 0.4245764686995186 eV
minimum distance =  2.63211522013696 Angstroms
sigma value = 5


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

Energy: 0.4780606719935333
Energy: 0.468605825462744
Energy: 0.8638579199517453
Energy: 0.46860582546456214
Energy: 0.7740281797468784
Energy: 0.47490029290446145
Energy: 0.5398067081778218
Energy: 0.47490029289418617
Energy: 0.4818669457520827
Energy: 0.5275903707017241
Energy: 0.6533358475044051
Energy: 0.5275903707011179
Energy: 0.5729787945835187
Energy: 0.4993947796386026
Energy: 0.47911363218166747
Energy: 0.4993947796392087
Energy: 0.4866517592629681
Energy: 0.5840874226515244
Energy: 0.603635750895584
Energy: 0.5840874226509183
Energy: 0.5008256320147466
Energy: 0.52430275704351
Energy: 0.48172096220879396
Energy: 0.524302757044116
Energy: 0.47908756142777736
Energy: 0.49646039866792296
Energy: 0.47795206573544485
Energy: 0.49646039866792296
Energy: 0.4793522769908915
Energy: 0.524662385730625
Energy: 0.49054847469620644
Energy: 0.5246623857300189
Energy: 0.47623418878031376
Energy: 0.5805818750005646
Energy: 0.4936666953071626
Energy: 0.58058187499938
Energy: 0.48397301239751517
Energy: 0.49667358534214384
Energy: 0.4894454720489391
Energy: 0.4966735853403257
Energy: 0.523522886825883
Energy: 0.5618143790545594
Energy: 0.482768157271158
Energy: 0.5618143790533473
Energy: 0.5400336991415624
Energy: 0.47216417586939674
Energy: 0.4681701805552087
Energy: 0.4721641758700028
Energy: 0.5004071341279889
Energy: 0.46788078227913626
Energy: 0.4752060337731258
Energy: 0.4678807822803484
Energy: 0.48470612113395817
Energy: 0.5620214558032496
Energy: 0.7900947504796294
Energy: 0.5620214558020374
Energy: 0.6198446014551717
Energy: 0.5384194394892919
Energy: 0.4828316349956869
Energy: 0.5384194394535626
Energy: 0.474988130244453
Energy: 0.4728028789785063
Energy: 0.7233631363791427
Energy: 0.47280287897790024
Energy: 0.7558880842180722
Energy: 0.4725721427907705
Energy: 0.4911372466035412
Energy: 0.4725721427925886
Energy: 0.47986512175040197
Energy: 0.5236844179347121
Energy: 0.6428879135965382
Energy: 0.5236844179347121
Energy: 0.6413158296059511
Energy: 0.49773782176282877
Energy: 0.48289901511293637
Energy: 0.49773782176282877
Energy: 0.4916288060212486
Energy: 0.6073845591779181
Energy: 0.4727225779710133
Energy: 0.6073845591761001
Energy: 0.5023040794333958
Energy: 0.499296083529462
Energy: 0.48154437033762204
Energy: 0.49929608352764393
Energy: 0.5293987198602161
Energy: 0.49658234676931134
Energy: 0.47541062522903177
Energy: 0.4965823467687053
Energy: 0.484651529328313
Energy: 0.5633691838716164
Energy: 0.50031430706711
Energy: 0.5633691838722225
Energy: 0.46780819883310143
Energy: 0.4757112344322136
Energy: 0.5262141231984291
Energy: 0.4757112344322136
Energy: 0.4735854754275627
Energy: 0.47213182428328887
Energy: 0.4969726923445868
Energy: 0.47213182428389494
Energy: 0.4742345541667102
Energy: 0.562164527375303
Energy: 0.4882792667658756
Energy: 0.562164527375303
Energy: 0.478668087255064
Energy: 0.47438953170379794
Energy: 0.47214168249203736
Energy: 0.47438953170440396
Energy: 0.520944158148325
Energy: 0.4907019717224238
Energy: 0.47495018377836623
Energy: 0.4907019717230299
Energy: 0.4877183130953368
Energy: 0.4747859426251664
Energy: 0.7317648755439192
Energy: 0.4747859426269846
Energy: 0.6202828471783565
Energy: 0.5234882275233793
Energy: 0.47872767438344044
Energy: 0.5234882275233793
Energy: 0.4771172501882616
Energy: 0.47245376314598114
Energy: 0.6179371270095508
Energy: 0.47245376314658716
Energy: 0.6042338749392965
Energy: 0.5401951495706576
Energy: 0.48843566294964563
Energy: 0.5401951495706576
Energy: 0.47687636815494877
Energy: 0.5016210745815223
Energy: 0.5035705929908306
Energy: 0.5016210745887949

minimum gb energy = 0.46780819883310143 eV
minimum distance =  2.62032686046499 Angstroms
sigma value = 1


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

Energy: 0.5144726031878553
Energy: 0.5151826081551494
Energy: 0.6270567672814328
Energy: 0.5151826081543114
Energy: 0.6508423006434808
Energy: 0.4538604294154428
Energy: 0.4736443371972058
Energy: 0.4538604293961887
Energy: 0.4658001048988169
Energy: 0.5430708186975759
Energy: 0.5732373379674978
Energy: 0.5430708186992328
Energy: 0.4713314390615104
Energy: 0.49246887376715176
Energy: 0.4610916253392935
Energy: 0.4924688737679898
Energy: 0.4827700741538398
Energy: 0.4558481936841725
Energy: 0.6181599888276109
Energy: 0.4558481936850105
Energy: 0.48383705776082137
Energy: 0.552564209753367
Energy: 0.46084896120713015
Energy: 0.5525642097542048
Energy: 0.4660245525802566
Energy: 0.49749112892748487
Energy: 0.45865793657484627
Energy: 0.4974911289258089
Energy: 0.46627590354812914
Energy: 0.4975079453976518
Energy: 0.4648127415377705
Energy: 0.4975079453976518
Energy: 0.4526091630358503
Energy: 0.4604337221157456
Energy: 0.48611658118801626
Energy: 0.4604337221174026
Energy: 0.45265496462856747
Energy: 0.5645627640053029
Energy: 0.47172118237776867
Energy: 0.564562764004465
Energy: 0.4661281437614751
Energy: 0.5435381141453446
Energy: 0.4798010798977042
Energy: 0.5435381141428307
Energy: 0.46642517827960334
Energy: 0.5634439325972025
Energy: 0.4584951956654392
Energy: 0.5634439325988594
Energy: 0.48317381431683804
Energy: 0.6457901948608346
Energy: 0.4609883251294648
Energy: 0.6457901948625104
Energy: 0.4837935396030079
Energy: 0.507386227014936
Energy: 0.4528374135169803
Energy: 0.5073862270140982
Energy: 0.5098879618776293
Energy: 0.565757446777551
Energy: 0.46099440916789247
Energy: 0.565757446779227
Energy: 0.4658335887673955
Energy: 0.4970073510556198
Energy: 0.5284630603679374
Energy: 0.4970073510556198
Energy: 0.7012957967107958
Energy: 0.7937794854724848
Energy: 0.46739636235710097
Energy: 0.7937794854716468
Energy: 0.5144726031878553
Energy: 0.5151826081551494
Energy: 0.556259230632498
Energy: 0.5151826081551494
Energy: 0.6508423006434808
Energy: 0.45386042941292887
Energy: 0.4736443371972058
Energy: 0.45386042941125293
Energy: 0.46580010489714097
Energy: 0.5430708186975759
Energy: 0.5732373451531786
Energy: 0.5430708186984139
Energy: 0.471331439072404
Energy: 0.4924688737663139
Energy: 0.4610916253392935
Energy: 0.49246887376715176
Energy: 0.48277007415048795
Energy: 0.45584819368584856
Energy: 0.6181599888158794
Energy: 0.4558481936850105
Energy: 0.48383705775830743
Energy: 0.552564209751691
Energy: 0.46084896120713015
Energy: 0.5525642097500151
Energy: 0.4660245525802566
Energy: 0.4974911289266469
Energy: 0.4661631019347215
Energy: 0.497491128924971

minimum gb energy = 0.4526091630358503 eV
minimum distance =  2.62446968055681 Angstroms
sigma value = 17


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

Energy: 0.45809105615029677
Energy: 0.459571533491728
Energy: 0.8342272160213374
Energy: 0.45957153349017427
Energy: 0.5328005399953247
Energy: 0.46409394728152975
Energy: 0.4697532429361603
Energy: 0.46409394728256564
Energy: 0.4651556006815033
Energy: 0.5133217433281002
Energy: 0.6587888881589452
Energy: 0.513321743329136
Energy: 0.6392142063262526
Energy: 0.578001276327214
Energy: 0.4653049560268678
Energy: 0.5780012763277319
Energy: 0.4711118490075503
Energy: 0.4659223072289479
Energy: 0.6474235493833423
Energy: 0.46592230722014316
Energy: 0.4999205172593394
Energy: 0.6367383397405268
Energy: 0.4659607832514466
Energy: 0.6367383397425984
Energy: 0.4901700827186977
Energy: 0.5761253993404577
Energy: 0.45820247158677374
Energy: 0.5761253993414936
Energy: 0.47022439853245523
Energy: 0.5874707957435109
Energy: 0.4696965205070037
Energy: 0.5874707957435109
Energy: 0.4669793039980942
Energy: 0.5813310784227023
Energy: 0.5190749830983198
Energy: 0.5813310784237381
Energy: 0.46811698305610183
Energy: 0.6648348991340254
Energy: 0.47392931307932507
Energy: 0.6648348991345432
Energy: 0.4712411834257251
Energy: 0.5877228401951855
Energy: 0.4781004714473565
Energy: 0.5877228401972572
Energy: 0.4621105691199439
Energy: 0.48185089140169307
Energy: 0.46479661677556167
Energy: 0.4818508914001393
Energy: 0.4827159749288072
Energy: 0.6009742820575067
Energy: 0.4681711211549259
Energy: 0.6009742820590604
Energy: 0.4970725480254516
Energy: 0.5792886735139905
Energy: 0.4584213211497192
Energy: 0.5792886735134727
Energy: 0.49127315285963136
Energy: 0.6524082431799377
Energy: 0.4638561681471889
Energy: 0.6524082431799377
Energy: 0.4719658277890315
Energy: 0.5851263859644298
Energy: 0.6420326369611032
Energy: 0.5851263859608513
Energy: 0.4609873100088539
Energy: 0.5787162362610144
Energy: 0.46822050937957405
Energy: 0.5787162362620504
Energy: 0.4613130620590801
Energy: 0.5148778186347468
Energy: 0.5927681761805743
Energy: 0.5148778186352646
Energy: 0.7587694969933148
Energy: 0.7426986709717522
Energy: 0.4693997838701464
Energy: 0.7426986709712343
Energy: 0.46236916328686356
Energy: 0.45787654926597443
Energy: 0.5975590208081746
Energy: 0.4578765492675282
Energy: 0.7792390031541906
Energy: 0.46025619557127195
Energy: 0.5076066387952419
Energy: 0.460256195570754
Energy: 0.505354090225935
Energy: 0.5151826099201939
Energy: 0.793392173836608
Energy: 0.5151826099201939
Energy: 0.6471179545408929
Energy: 0.5784413001790215
Energy: 0.4635524286996151
Energy: 0.5784413001785035
Energy: 0.4693699971981155
Energy: 0.6378128570455924
Energy: 0.5349875514173895
Energy: 0.6378128570487
Energy: 0.4843386877341388
Energy: 0.51488277205573
Energy: 0.46292788116473466
Energy: 0.51488277205573
Energy: 0.468948406766348
Energy: 0.48294043971291417
Energy: 0.46222947439359763
Energy: 0.48294043971446793
Energy: 0.5346117280322068
Energy: 0.6029271592134896
Energy: 0.4733520341352914
Energy: 0.6029271591938554
Energy: 0.4663490323703804
Energy: 0.6527209177132365
Energy: 0.49180585642386276
Energy: 0.6527209177142723
Energy: 0.45872533550562106
Energy: 0.5798347215452853
Energy: 0.4989046366359716
Energy: 0.579834721546321
Energy: 0.46877220974799133
Energy: 0.6021291857138337
Energy: 0.4744338586474197
Energy: 0.602129185717459
Energy: 0.4648699764343248
Energy: 0.48142101105730295
Energy: 0.4618359992275767
Energy: 0.48142101105730295
Energy: 0.4804901976798475
Energy: 0.5873070369130858
Energy: 0.4689032447072419
Energy: 0.5873070369151574
Energy: 0.47303116886195334
Energy: 0.6648232157660641
Energy: 0.5350036999812009
Energy: 0.6648232157691716
Energy: 0.5158015454511846
Energy: 0.5808241032206248
Energy: 0.4696308606320206
Energy: 0.5808241032201069
Energy: 0.4693344444721718
Energy: 0.5851268121594021
Energy: 0.4859708241593901
Energy: 0.5851268121604379
Energy: 0.4582805770760166
Energy: 0.5766101085819558
Energy: 0.4893930163423917
Energy: 0.5766101085814378
Energy: 0.46397245227861944
Energy: 0.6409236402599839
Energy: 0.5000027485196086
Energy: 0.6409236402615377
Energy: 0.6500102477845093
Energy: 0.6412651625339091
Energy: 0.47040162229881405
Energy: 0.6412651625359808

minimum gb energy = 0.45787654926597443 eV
minimum distance =  2.60158952930639 Angstroms
sigma value = 89


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

Energy: 0.4081448483267153
Energy: 0.4084422573273727
Energy: 0.8382761397810184
Energy: 0.4084422573273727
Energy: 0.4082851724449
Energy: 0.4129246114337853
Energy: 0.4193775898333221
Energy: 0.4129246114337853
Energy: 0.41766636248023503
Energy: 0.6450639791502755
Energy: 0.8279994468902726
Energy: 0.6450639791489203
Energy: 0.4819420706790178
Energy: 0.4129257330018594
Energy: 0.4194130434319245
Energy: 0.4129257330018594
Energy: 0.4182812600046501
Energy: 0.6300226300496777
Energy: 0.8317941920338339
Energy: 0.6300226300510329
Energy: 0.41796815111924507
Energy: 0.4086077461112884
Energy: 0.4109165206789703
Energy: 0.40860774611264356
Energy: 0.4178241330714356
Energy: 0.46224340132880065
Energy: 0.4080609953359258
Energy: 0.46224340132880065
Energy: 0.45393336343027785
Energy: 0.6580202274352407
Energy: 0.4199810519395469
Energy: 0.6580202274311752
Energy: 0.41858482953218545
Energy: 0.4496137050323235
Energy: 0.42206470806526103
Energy: 0.4496137050323235
Energy: 0.4132112564261971
Energy: 0.6335709586354162
Energy: 0.41849567351715417
Energy: 0.633570958632706
Energy: 0.4081728471275418
Energy: 0.41294864973628104
Energy: 0.417980096030904
Energy: 0.41294864973628104
Energy: 0.4083119532299951
Energy: 0.4605958899259257
Energy: 0.419628903752825
Energy: 0.4605958899259257
Energy: 0.41809784286707263
Energy: 0.5951776155567924
Energy: 0.4414098033403897
Energy: 0.5951776155581476
Energy: 0.41894933997711886
Energy: 0.4478793478272269
Energy: 0.41834227015111275
Energy: 0.4478793478272269
Energy: 0.4540072729439541
Energy: 0.5951822385682827
Energy: 0.41809324181440805
Energy: 0.5951822385682827

minimum gb energy = 0.4080609953359258 eV
minimum distance =  2.56076442731609 Angstroms
sigma value = 13


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

Energy: 0.42684936820859154
Energy: 0.6142205713035844
Energy: 0.832483087821145
Energy: 0.6142205713047204
Energy: 0.6906154274759817
Energy: 0.5590650528763027
Energy: 0.42906152571033795
Energy: 0.5590650528757347
Energy: 0.42579550973951613
Energy: 0.604543229724942
Energy: 0.7903763375418458
Energy: 0.6045432297294859
Energy: 0.42321252342627463
Energy: 0.5583441957468434
Energy: 0.4287018050215569
Energy: 0.5583441957445714
Energy: 0.4337715754084563
Energy: 0.6189483349374584
Energy: 0.6248004426772181
Energy: 0.6189483349408663
Energy: 0.42804672317433723
Energy: 0.494435483120506
Energy: 0.422396365843313
Energy: 0.494435483118234
Energy: 0.43049796051692546
Energy: 0.667645885037573
Energy: 0.5898239382365483
Energy: 0.667645885034165
Energy: 0.433439332614411
Energy: 0.5469323666304141
Energy: 0.4223632986814314
Energy: 0.5469323666264381
Energy: 0.4308038206264353
Energy: 0.6703957196350488
Energy: 0.49066391893202477
Energy: 0.6703957196378888
Energy: 0.50752084258151
Energy: 0.621276748874709
Energy: 0.42812197083082487
Energy: 0.621276748876981
Energy: 0.43043548064208587
Energy: 0.5609747912127703
Energy: 0.4256826877257463
Energy: 0.5609747912110662
Energy: 0.5935516770385549
Energy: 0.6302721130920899
Energy: 0.43097804426593805
Energy: 0.6302721132732042
Energy: 0.43384587481647957
Energy: 0.5548056765391652
Energy: 0.4590989763383932
Energy: 0.5548056765340532
Energy: 0.5564865569003055
Energy: 0.5167446304997797
Energy: 0.43559789632726587
Energy: 0.5167446305145478
Energy: 0.4337552059423286
Energy: 0.4827716615339205
Energy: 0.4351643331270666
Energy: 0.4827716615299445
Energy: 0.42074406943861553
Energy: 0.5154827379551467
Energy: 0.4256232479993298
Energy: 0.5154827379523326
Energy: 0.429346699214509
Energy: 0.5559163136359115
Energy: 0.4260728347769173
Energy: 0.5559163136353436
Energy: 0.4520353522388122
Energy: 0.6686828735183821
Energy: 0.42128885604952326
Energy: 0.668682873520086
Energy: 0.4291474035243251
Energy: 0.7202661243681715
Energy: 0.4211763045437175
Energy: 0.7202661243653314
Energy: 0.4287302824435974
Energy: 0.7202262112771978
Energy: 0.4211027359306024
Energy: 0.7202262112732217
Energy: 0.45170574627786425
Energy: 0.6685642003857672
Energy: 0.4210604192903192
Energy: 0.6685642003886073
Energy: 0.429184347333886
Energy: 0.5557974467707801
Energy: 0.42750428873498914
Energy: 0.555797446769644
Energy: 0.42091299830799456
Energy: 0.5155021881816311
Energy: 0.42551262328810396
Energy: 0.5155021881821991
Energy: 0.43378949338571815
Energy: 0.48317318710093055
Energy: 0.43231434735136787
Energy: 0.4831731870912745
Energy: 0.5568566021731033
Energy: 0.5167671403703764
Energy: 0.4344993175475106
Energy: 0.5167671403703764
Energy: 0.43388050198640477
Energy: 0.5545186414649663
Energy: 0.4294164688271429
Energy: 0.5545186414609903
Energy: 0.5941131866953312
Energy: 0.6305512459541393
Energy: 0.4311461307784081
Energy: 0.6305512459535713
Energy: 0.4330461829134918
Energy: 0.5610106532593195
Energy: 0.42523398089111136
Energy: 0.5610106532604554
Energy: 0.5075360556831204
Energy: 0.6211242344603202
Energy: 0.4277976402012665
Energy: 0.6211242344620241
Energy: 0.43040638915330265
Energy: 0.6232271195456465
Energy: 0.48999170642661494
Energy: 0.6232271195405344
Energy: 0.435717400521623
Energy: 0.5471735216299372
Energy: 0.4223824015093811
Energy: 0.5471735216322092
Energy: 0.43041555344004906
Energy: 0.6673579616137665
Energy: 0.5578534030092668
Energy: 0.6673579616114945
Energy: 0.42763491492419026
Energy: 0.4944700690509355
Energy: 0.42238523706523484
Energy: 0.49447006904979945
Energy: 0.43359154859649435
Energy: 0.618785736276262
Energy: 0.5571329576601373
Energy: 0.618785736273422
Energy: 0.4226244196116956
Energy: 0.5583187358148107
Energy: 0.42694269451845746
Energy: 0.5583187358159468

minimum gb energy = 0.42074406943861553 eV
minimum distance =  2.58977920964389 Angstroms
sigma value = 37


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

Energy: 0.4565265642710175
Energy: 0.45697418977867554
Energy: 0.5146539193154052
Energy: 0.4569741897796528
Energy: 0.7403105887128747
Energy: 0.5090233171999725
Energy: 0.40909451752759324
Energy: 0.5090233171970407
Energy: 0.4007505142112556
Energy: 0.6036947640045788
Energy: 0.5617409264334534
Energy: 0.603694764001647
Energy: 0.4475854306973299
Energy: 0.4534350408514906
Energy: 0.4006108193377996
Energy: 0.4534350408514906
Energy: 0.39932441265808605
Energy: 0.582192883111351
Energy: 0.4726655336819401
Energy: 0.582192883111351
Energy: 0.4120403156806431
Energy: 0.6191613141396614
Energy: 0.4489316677566862
Energy: 0.6191613141406386
Energy: 0.40184412632871547
Energy: 0.6266570637194414
Energy: 0.6078763614085071
Energy: 0.626657063717487
Energy: 0.39428453076244707
Energy: 0.39717374921076104
Energy: 0.3988105764796101
Energy: 0.39717374921076104
Energy: 0.4099108097115214
Energy: 0.509645134245475
Energy: 0.549238844733435
Energy: 0.5096451342444976
Energy: 0.5615925611949516
Energy: 0.4889985666430396
Energy: 0.4489025232277335
Energy: 0.4889985666430396
Energy: 0.4136196150099541
Energy: 0.6425645227169746
Energy: 0.4472201061879001
Energy: 0.6425645227179518
Energy: 0.5004207250824219
Energy: 0.5822304047724052
Energy: 0.4006660528502904
Energy: 0.5822304047724052
Energy: 0.4473263100063557
Energy: 0.5644399141570324
Energy: 0.4623871869562525
Energy: 0.5644399141570324
Energy: 0.6083590032390263
Energy: 0.698616558905223
Energy: 0.39440766752441253
Energy: 0.6986165589081547
Energy: 0.45706487301177917
Energy: 0.4148108021510797
Energy: 0.3942058961774219
Energy: 0.4148108021491253
Energy: 0.45659066281044497
Energy: 0.5626245584460587
Energy: 0.4092246638307904
Energy: 0.5626245584460587
Energy: 0.44718624695086606
Energy: 0.675134150421498
Energy: 0.4147857451694341
Energy: 0.6751341504195436
Energy: 0.44727680093999345
Energy: 0.6425794630207542
Energy: 0.399171275327034
Energy: 0.6425794630187998
Energy: 0.39943250673795444
Energy: 0.5822787020947037
Energy: 0.39941331398410646
Energy: 0.5822787020947037
Energy: 0.399582544778058
Energy: 0.5645651632477431
Energy: 0.4477719693238227
Energy: 0.5645651632467659

minimum gb energy = 0.3942058961774219 eV
minimum distance =  2.61383833432992 Angstroms
sigma value = 25


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

Energy: 0.43014442361665445
Energy: 0.5997295923629384
Energy: 0.4539791055414849
Energy: 0.5997295923606492
Energy: 0.7007494524394827
Energy: 0.5366908794711647
Energy: 0.3731894210692784
Energy: 0.5366908794719278
Energy: 0.41178338476881804
Energy: 0.41230899784052294
Energy: 0.5043012661915199
Energy: 0.41230899784052294
Energy: 0.5306865721893675
Energy: 0.5011121234019541
Energy: 0.37917275918261073
Energy: 0.501112123401191
Energy: 0.3788140619918109
Energy: 0.5365778959246793
Energy: 0.4276223167227209
Energy: 0.5365778959262054
Energy: 0.40871309419692525
Energy: 0.4942728955559135
Energy: 0.380231903224581
Energy: 0.49427289555743975
Energy: 0.374074321841686
Energy: 0.37135060945145665
Energy: 0.62722164638673
Energy: 0.37135060945374593
Energy: 0.37807613074565843
Energy: 0.502238909770643
Energy: 0.41301055600142084
Energy: 0.5022389097691169
Energy: 0.37308879361235436
Energy: 0.5359111244514503
Energy: 0.5986347589086175
Energy: 0.5359111244529764
Energy: 0.36993835478831577
Energy: 0.5540885774598813
Energy: 0.3880236560489408
Energy: 0.5540885774614075
Energy: 0.3744998359096729
Energy: 0.45183512586699665
Energy: 0.5729303114588002
Energy: 0.4518351258647074
Energy: 0.5039160906634768
Energy: 0.527905074767664
Energy: 0.41305999565945783
Energy: 0.5279050747691904
Energy: 0.3801969490284816
Energy: 0.5011494150281848
Energy: 0.5307328372738325
Energy: 0.5011494150274216
Energy: 0.4655395891950145
Energy: 0.44178546575737937
Energy: 0.3797217414904887
Energy: 0.4417854657703518
Energy: 0.3794024151531949
Energy: 0.45176490804021013
Energy: 0.4084241118945151
Energy: 0.45176490804173636
Energy: 0.5025378413737358
Energy: 0.6358554764716635
Energy: 0.37370878754415576
Energy: 0.635855476467848
Energy: 0.41524126111582377
Energy: 0.5022166699350014
Energy: 0.37269113296394146
Energy: 0.5022166699372906
Energy: 0.5350794590157663
Energy: 0.6035114217020542
Energy: 0.37392186709599573
Energy: 0.6035114217020542
Energy: 0.4334975940096782
Energy: 0.6042533338410825
Energy: 0.37020459159799424
Energy: 0.6042533338403194
Energy: 0.6225607003657594
Energy: 0.6436572847428109
Energy: 0.3736396523031742
Energy: 0.643657284744337
Energy: 0.415352148721249
Energy: 0.49017074052575693
Energy: 0.3803983936730373
Energy: 0.4901707405234677
Energy: 0.41203202080319035
Energy: 0.5458569582292383
Energy: 0.3825767931134279
Energy: 0.5458569582284752
Energy: 0.38071117493960543
Energy: 0.44017910797269477
Energy: 0.4659907726997415
Energy: 0.44017910797193177
Energy: 0.40824103523077826
Energy: 0.6015599071327703
Energy: 0.3784237356337304
Energy: 0.601559907132007
Energy: 0.3736682096015156
Energy: 0.6980608361322113
Energy: 0.5025175359297825
Energy: 0.6980608361322113
Energy: 0.37249472456427263
Energy: 0.4643724373447797
Energy: 0.4123721104746113
Energy: 0.46437243734630584

minimum gb energy = 0.36993835478831577 eV
minimum distance =  2.59909014958082 Angstroms
sigma value = 41


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

Energy: 0.47664353359139444
Energy: 0.47760080720562315
Energy: 0.457610308743459
Energy: 0.477600807204372
Energy: 0.6630226964315844
Energy: 0.5310777626030578
Energy: 0.3475006843385442
Energy: 0.5310777626024322
Energy: 0.35399057551592056
Energy: 0.5303394170646413
Energy: 0.7753695457179853
Energy: 0.5303394170652668
Energy: 0.6669335330139126
Energy: 0.4120378235379457
Energy: 0.3477278968122593
Energy: 0.41203782356860036
Energy: 0.3444493442973307
Energy: 0.4833460514759164
Energy: 0.3972689722604526
Energy: 0.4833460515153294
Energy: 0.4098898849648357
Energy: 0.5311672761616791
Energy: 0.3478101035298005
Energy: 0.5311672761616791
Energy: 0.34695512607893786
Energy: 0.47643985207753337
Energy: 0.424773586740944
Energy: 0.47643985207753337
Energy: 0.34363586820395775
Energy: 0.4162395291815602
Energy: 0.34518780935281723
Energy: 0.4162395291828114
Energy: 0.3495954440578521
Energy: 0.5642430672917155
Energy: 0.5173584666549172
Energy: 0.5642430672923412
Energy: 0.34756784543644753
Energy: 0.46778126479329524
Energy: 0.35462559630134505
Energy: 0.4677812660977067
Energy: 0.3468107253040827
Energy: 0.47652929879318706
Energy: 0.5679032979749798
Energy: 0.47652929879506384
Energy: 0.345677008409112
Energy: 0.4773105278612732
Energy: 0.47724648671075465
Energy: 0.4773105278612732
Energy: 0.34921012985999794
Energy: 0.5573772290059709
Energy: 0.5672422749718169
Energy: 0.557377229007222
Energy: 0.45709966042077566
Energy: 0.6556847298692554
Energy: 0.3546181291311308
Energy: 0.6556847298692554
Energy: 0.3469647915846701
Energy: 0.5353889495012131
Energy: 0.47703742657357356
Energy: 0.5353889495012131
Energy: 0.4274799988733847
Energy: 0.47049759856775736
Energy: 0.34501477519989465
Energy: 0.47049759856713175
Energy: 0.34966461828425127
Energy: 0.5570142092091686
Energy: 0.4095846583689959
Energy: 0.5570142092085429
Energy: 0.42491146401270236
Energy: 0.6284741615488675
Energy: 0.3475981305472959
Energy: 0.6284741615488675
Energy: 0.3470187067052577
Energy: 0.4165705398890542
Energy: 0.34350387632674045
Energy: 0.4165705398890542
Energy: 0.41636836479349293
Energy: 0.564358505086836
Energy: 0.35238760244624207
Energy: 0.5643585050862103
Energy: 0.35631433428502635
Energy: 0.6049668097830249
Energy: 0.3471179591015084
Energy: 0.6049668097836505
Energy: 0.5680031804393889
Energy: 0.6384100019403814
Energy: 0.3473777662745524
Energy: 0.6384100019403814
Energy: 0.4793270302042517
Energy: 0.4774897800094615
Energy: 0.3460058101530526
Energy: 0.4774897800088359
Energy: 0.4786484959161195
Energy: 0.5570734204905257
Energy: 0.35181126614282887
Energy: 0.5570734204911514
Energy: 0.35637557093060174
Energy: 0.6570850763937224
Energy: 0.35298027284001365
Energy: 0.6570850763937224
Energy: 0.47571647766616426
Energy: 0.626344769371728
Energy: 0.34737098391100474
Energy: 0.6263447693711023
Energy: 0.3470826487767152
Energy: 0.4710475698969727
Energy: 0.4276536207867827
Energy: 0.4710475698969727
Energy: 0.3449594361058135
Energy: 0.5573665864632638
Energy: 0.3520219067389302
Energy: 0.5573665864638894
Energy: 0.34964495941891327
Energy: 0.6398126477633468
Energy: 0.42463721451929076
Energy: 0.6398126477620957
Energy: 0.343947975865992
Energy: 0.5701598106294066
Energy: 0.34935763550815274
Energy: 0.5701598106287811
Energy: 0.35036854428279146
Energy: 0.6213317634521183
Energy: 0.4163560929109676
Energy: 0.6213317634521183
Energy: 0.347467262897634
Energy: 0.6032028724050053
Energy: 0.35890666906712027
Energy: 0.6032028724050053

minimum gb energy = 0.34350387632674045 eV
minimum distance =  2.56850897940512 Angstroms
sigma value = 15


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

Energy: 0.43812021546639907
Energy: 0.5692058971920408
Energy: 0.7478719021926897
Energy: 0.5692058971920408
Energy: 0.6301855281133653
Energy: 0.506017003689331
Energy: 0.33051250275027794
Energy: 0.506017003689331
Energy: 0.3393713157035495
Energy: 0.4322055676931212
Energy: 0.7488399257016591
Energy: 0.4322055676931212
Energy: 0.6615990823580602
Energy: 0.4310641029630877
Energy: 0.3305658050837024
Energy: 0.4310641029567762
Energy: 0.328711033568316
Energy: 0.5936013303527533
Energy: 0.36797285488598164
Energy: 0.5936013303532833
Energy: 0.43158898148459074
Energy: 0.5059597740674768
Energy: 0.3304898678016585
Energy: 0.505959774064297
Energy: 0.33010464488168423
Energy: 0.43601343283226307
Energy: 0.3926667344555859
Energy: 0.43601343283226307
Energy: 0.37923899167205777
Energy: 0.43597495989796414
Energy: 0.3304847046571491
Energy: 0.43597495989531426
Energy: 0.33167157972931677
Energy: 0.5787624995448141
Energy: 0.47536197304059863
Energy: 0.5787624995506436
Energy: 0.3231307301387117
Energy: 0.5536089882998545
Energy: 0.3291039449830506
Energy: 0.5536089882993246
Energy: 0.3300579407252715
Energy: 0.5109514177704372
Energy: 0.5208835637544841
Energy: 0.5109514177699073
Energy: 0.32537865353018264
Energy: 0.43235121515214847
Energy: 0.3397113529705201
Energy: 0.4323512151526785
Energy: 0.33210787728359914
Energy: 0.5719805138920807
Energy: 0.5503058824833679
Energy: 0.5719805138889008
Energy: 0.32445657284586976
Energy: 0.5746561266267054
Energy: 0.43831438999649014
Energy: 0.5746561266256455
Energy: 0.33023030160298694
Energy: 0.5066905623889006
Energy: 0.5807420480273434
Energy: 0.5066905623873108
Energy: 0.4170917841844861
Energy: 0.4321266548533003
Energy: 0.3396452968109855
Energy: 0.4321266548580701
Energy: 0.33146845399175995
Energy: 0.5719156693016514
Energy: 0.6592981399037915
Energy: 0.5719156693005915
Energy: 0.39576136698588643
Energy: 0.5967551224420292
Energy: 0.3289858636620297
Energy: 0.5967551224441491
Energy: 0.3301089225483146
Energy: 0.5063873641088703
Energy: 0.43566635417390626
Energy: 0.5063873641099303
Energy: 0.3929112499366359
Energy: 0.42780891339024096
Energy: 0.33046351867207335
Energy: 0.42780891338547117
Energy: 0.33209033536903465
Energy: 0.5135679318993611
Energy: 0.38069924613415357
Energy: 0.5135679318983012
Energy: 0.3876833810744058
Energy: 0.5850133982057855
Energy: 0.3338479393231335
Energy: 0.5850133982068454
Energy: 0.3301443627692112
Energy: 0.5517857744215918
Energy: 0.3230963560555957
Energy: 0.5517857744226518
Energy: 0.5209012592169734
Energy: 0.5115933683174948
Energy: 0.3305015936518265
Energy: 0.5115933683164349
Energy: 0.3406697064329574
Energy: 0.5610291816200089
Energy: 0.3251933079751705
Energy: 0.5610291816221287
Energy: 0.5154629061146945
Energy: 0.5785390106081341
Energy: 0.33374995404928665
Energy: 0.5785390106081341
Energy: 0.4398317730518318
Energy: 0.5741431066572011
Energy: 0.32448166807698814
Energy: 0.5741431066566711
Energy: 0.5886537180815529
Energy: 0.5066116698407248
Energy: 0.3304503511533575
Energy: 0.5066116698407248
Energy: 0.3408353524550647
Energy: 0.6124316603949346
Energy: 0.32888642345539715
Energy: 0.6124316603965245
Energy: 0.4393662591266129
Energy: 0.5717913257162751
Energy: 0.3340480262511417
Energy: 0.571791325714685
Energy: 0.33017327622670856
Energy: 0.5972572396582682
Energy: 0.39630209391014165
Energy: 0.5972572396587982
Energy: 0.43571722115803724
Energy: 0.506527620055756
Energy: 0.33056536458424035
Energy: 0.5065276200536362
Energy: 0.3321933465744216
Energy: 0.5730246522952116
Energy: 0.3926967929565745
Energy: 0.5730246522952116
Energy: 0.32355742915836055
Energy: 0.5142622639350158
Energy: 0.33342120455548496
Energy: 0.5142622639291862
Energy: 0.32938341608880667
Energy: 0.5827101654239263
Energy: 0.3877224903302875
Energy: 0.5827101654239263
Energy: 0.3231148252465596
Energy: 0.5507290509143471
Energy: 0.3318686769094939
Energy: 0.550729050915407
Energy: 0.331590244133734
Energy: 0.5947995737007569
Energy: 0.5209734748445989
Energy: 0.5947995736996969

minimum gb energy = 0.3230963560555957 eV
minimum distance =  2.61129426118224 Angstroms
sigma value = 85


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

Energy: 0.4376900360907028
Energy: 0.5477925496932818
Energy: 0.49957824780318555
Energy: 0.5477925496928222
Energy: 0.6338414023414469
Energy: 0.43305871997267376
Energy: 0.3026679784914052
Energy: 0.43305871997359313
Energy: 0.42309337152674487
Energy: 0.42376595235593856
Energy: 0.40683481967804014
Energy: 0.4237659523412298
Energy: 0.6407655866706579
Energy: 0.4693992212511425
Energy: 0.3028047826924898
Energy: 0.4693992212520618
Energy: 0.33789760534824514
Energy: 0.42970699640822463
Energy: 0.3605585433395864
Energy: 0.429706996407765
Energy: 0.5699813796442991
Energy: 0.3969760534550308
Energy: 0.30307513942948094
Energy: 0.39697605345319226
Energy: 0.32438833705118775
Energy: 0.40119190112318304
Energy: 0.37826304177180264
Energy: 0.4011919011250217
Energy: 0.4139620367024195
Energy: 0.49230788573424883
Energy: 0.3063314088255491
Energy: 0.4923078857356278
Energy: 0.30546754726231146
Energy: 0.3899804881976278
Energy: 0.42238418477341805
Energy: 0.3899804881985471
Energy: 0.36156278210668735
Energy: 0.398277399415401
Energy: 0.3245802355306828
Energy: 0.39827739941861856
Energy: 0.3036105895872739
Energy: 0.46896476563359074
Energy: 0.4698720832038473
Energy: 0.4689647656381872
Energy: 0.31645951975551434
Energy: 0.4906908000499001
Energy: 0.338233500148362
Energy: 0.4906908000471422
Energy: 0.3023776583672064
Energy: 0.3905206657038677
Energy: 0.5340856474668955
Energy: 0.3905206657043273
Energy: 0.29734561950733107
Energy: 0.42342566067530696
Energy: 0.4234829733386294
Energy: 0.42342566067668586
Energy: 0.3035916412739702
Energy: 0.4633429231764758
Energy: 0.5744329414054509
Energy: 0.46334292317693543
Energy: 0.2949567142981995
Energy: 0.4597883017163996
Energy: 0.4089258580615859
Energy: 0.45978830172005597
Energy: 0.30238442942575494
Energy: 0.3899356906507973
Energy: 0.6136738562696881
Energy: 0.38993569065033773
Energy: 0.37497002698544785
Energy: 0.4234971639342686
Energy: 0.42354625316610245
Energy: 0.42349716393518794
Energy: 0.30374715941391617
Energy: 0.46330466859481234
Energy: 0.5362751637339451
Energy: 0.4633046685934334
Energy: 0.35776232661119917
Energy: 0.4757223291722147
Energy: 0.3383314931618305
Energy: 0.47572232917451296
Energy: 0.30337061611134764
Energy: 0.372170196300492
Energy: 0.5644869138081482
Energy: 0.372170196300492
Energy: 0.3771985059740381
Energy: 0.39054857558408224
Energy: 0.32458056054134676
Energy: 0.39054857558362255
Energy: 0.30749257690713017
Energy: 0.4920706819123048
Energy: 0.41330052190177335
Energy: 0.492070681913224
Energy: 0.37375956605431176
Energy: 0.47350365926024873
Energy: 0.3062021550927875
Energy: 0.4735036592593294
Energy: 0.3256360303854595
Energy: 0.37474102538385234
Energy: 0.3616394105194539
Energy: 0.37474102538477166
Energy: 0.4702935268913515
Energy: 0.4692895790321691
Energy: 0.30360213895320054
Energy: 0.46928957902987084
Energy: 0.3394448907141003
Energy: 0.5154424253345442
Energy: 0.31648970758824957
Energy: 0.5154424253336249
Energy: 0.46892289779579865
Energy: 0.4717325605985213
Energy: 0.3026853900577209
Energy: 0.4717325605971424
Energy: 0.4248244353874729
Energy: 0.397557544552522
Energy: 0.3209331364972634
Energy: 0.39755754454884484
Energy: 0.5738001844229152
Energy: 0.4632794618689035
Energy: 0.30385381115802534
Energy: 0.46327946187028246
Energy: 0.43924036123337007
Energy: 0.5348928808140994
Energy: 0.2950001002600516
Energy: 0.5348928808131801
Energy: 0.5402368959056518
Energy: 0.5411308656128881
Energy: 0.3027389976142628
Energy: 0.5411308656138074
Energy: 0.4248690295313838
Energy: 0.39725563308281603
Energy: 0.29895404648918206
Energy: 0.39725563308097744
Energy: 0.5346355438849065
Energy: 0.4634886379428934
Energy: 0.30387883678975075
Energy: 0.46348863794427236
Energy: 0.33945177562179557
Energy: 0.5434922577659205
Energy: 0.3579947344704746
Energy: 0.5434922577668397
Energy: 0.41535786272367625
Energy: 0.5174449778609902
Energy: 0.3045036308106561
Energy: 0.5174449778619096
Energy: 0.3257696719633215
Energy: 0.3904188901491811
Energy: 0.3770546071587967
Energy: 0.3904188901501004
Energy: 0.4136926461306336
Energy: 0.48619733830020795
Energy: 0.3055469258711827
Energy: 0.48619733830204653
Energy: 0.3075196120663375
Energy: 0.5137220852800354
Energy: 0.3736014693566618
Energy: 0.5137220852804951
Energy: 0.31721905723759175
Energy: 0.507827327547395
Energy: 0.3273494056401215
Energy: 0.5078273275460161
Energy: 0.3025269148913062
Energy: 0.46930531179669266
Energy: 0.47027516237383693
Energy: 0.46930531179899093
Energy: 0.31621200846481495
Energy: 0.5154168661388862
Energy: 0.3405449335061315
Energy: 0.5154168661379667
Energy: 0.3035232712898906
Energy: 0.5389982539300565
Energy: 0.46874301094035425
Energy: 0.5389982539305163

minimum gb energy = 0.2949567142981995 eV
minimum distance =  2.60724645328484 Angstroms
sigma value = 113


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

Energy: 0.011708251019432696
Energy: 0.012091837348324318
Energy: 0.9202712652266134
Energy: 0.012091837349011392
Energy: 0.9230168157514278
Energy: 0.6737923745272355
Energy: 0.18707057244972314
Energy: 0.673792374528963
Energy: 0.011708251019432696
Energy: 0.012091837348324318
Energy: 0.920262879315826
Energy: 0.012091837349011392
Energy: 0.9230168157528216
Energy: 0.6737923745275693
Energy: 0.1870705724493894
Energy: 0.6737923745279226
Energy: 0.011708251019432696
Energy: 0.012091837348324318
Energy: 0.9201796333545109
Energy: 0.012091837348677671
Energy: 0.923016815756257
Energy: 0.6737923745286097
Energy: 0.18707057245007647
Energy: 0.6737923745275693

minimum gb energy = 0.011708251019432696 eV
minimum distance =  2.80202620777057 Angstroms
sigma value = 1