Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.153700065612796
cohesive_energy=3.0333095737378044
mass=196.9665
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=[6.71113339743384e-20, 1.13971635947907e-19, 1.55646653463198e-19, 1.9318885635108597e-19, 2.2723671200021997e-19, 2.5822441027841396e-19, 2.86475590865736e-19, 3.12236988963822e-19, 3.3571047882855603e-19, 3.5705948247660597e-19, 3.7642178709849595e-19, 3.9391435158850797e-19, 4.09639715251218e-19, 4.2368759997813e-19, 4.3613651242431e-19, 4.4705855053828795e-19, 4.565161992087899e-19, 4.6456553461800595e-19, 4.71259428594858e-19, 4.76647548615e-19, 4.80771551270916e-19, 4.836714909784559e-19, 4.8538742215347e-19, 4.85951388328638e-19, 4.853361525011819e-19, 4.83323818648878e-19, 4.7963080150750795e-19, 4.739158374540299e-19, 4.657639627402379e-19, 4.54667287373154e-19, 4.4000576899542e-19, 4.2101837370588596e-19, 3.96758215113858e-19, 3.66050897746614e-19, 3.2741761257097196e-19, 2.78991823808322e-19, 2.1839429915717397e-19, 1.425602349343494e-19, 4.75099845986556e-20, -7.19910833485122e-20, -2.2291083508841996e-19, -4.1464651723246803e-19, -6.60085557971562e-19, -9.772171965522539e-19, -1.3916233872896218e-18, -1.94058838263348e-18, -2.6798326815610795e-18, -3.6953723410219795e-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: 0.008860620481892038
Energy: 0.009223957993779282
Energy: 0.34112628095979636
Energy: 0.34112628095979636
Energy: 0.009223957994241165
Energy: 0.39038050928076173
Energy: 0.39038050928076173
Energy: 0.39038050917582257
Energy: 0.34112628095887254
Energy: 0.34112628095887254
Energy: 0.008860620481892038
Energy: 0.009223957993779282
Energy: 0.009223957993779282
Energy: 0.39038050918417605
Energy: 0.009223957993779282
Energy: 0.3903805092607953

minimum gb energy = 0.008860620481892038 eV
minimum distance =  2.85578342295327 Angstroms
sigma value = 1


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

Energy: 0.7288350980932066
Energy: 0.5180821866674763
Energy: 0.5451519232319896
Energy: 0.5454066391878764
Energy: 0.5135149103130557
Energy: 0.5692935916926617
Energy: 0.5157337409278909
Energy: 0.5692935916926617
Energy: 0.5450677291525788
Energy: 0.5452770287618602
Energy: 0.7945051913699914
Energy: 0.5452770287618602
Energy: 0.5168167146960457
Energy: 0.5157542871938837
Energy: 0.5152141721300685
Energy: 0.5157542871944598
Energy: 0.679279625620989
Energy: 0.5154895757291517
Energy: 0.5169055742023524
Energy: 0.5154895757279992
Energy: 0.5348829819827218
Energy: 0.5589031402513199
Energy: 0.5168072717241469
Energy: 0.558903140250744
Energy: 0.5343394519969286
Energy: 0.5394452088953874
Energy: 0.5332160512765869
Energy: 0.5394452088965397
Energy: 0.5350838994267327
Energy: 0.5396493379457045
Energy: 0.563934626416034
Energy: 0.53964933795838
Energy: 0.5676236581774259
Energy: 0.5535168961623029
Energy: 0.5649317372867355
Energy: 0.5535168961617268
Energy: 0.5728304021150269
Energy: 0.5587611067294053
Energy: 0.5534630863366585
Energy: 0.55876110673226
Energy: 0.5518813965982642
Energy: 0.5531095007403929
Energy: 0.596957402628836
Energy: 0.5531095007398167
Energy: 0.5356357167485558
Energy: 0.5526673202239497
Energy: 0.5641388015811423
Energy: 0.5526673202227973
Energy: 0.5363750973700613
Energy: 0.5377729585647587
Energy: 0.5137718347984359
Energy: 0.5377729585659109
Energy: 0.5339640764657724
Energy: 0.5391081631787487
Energy: 0.5147569039653666
Energy: 0.5391081631775964
Energy: 0.5141338834280166
Energy: 0.5153581122447142
Energy: 0.5158008651525822
Energy: 0.5153581122447142
Energy: 0.5359031066346056
Energy: 0.5162439700477901
Energy: 0.5151496993468303
Energy: 0.5162439700477901
Energy: 0.5451990541284358
Energy: 0.5453316330681415
Energy: 0.5158460684375197
Energy: 0.5453316330681415
Energy: 0.5158352598425548
Energy: 0.5158222616582008
Energy: 0.5136661383531116
Energy: 0.515822261658777
Energy: 0.5156211820937988
Energy: 0.5455033450268012
Energy: 0.5453020817110541
Energy: 0.5455033450273773
Energy: 0.5603466366318687
Energy: 0.5160644005193477
Energy: 0.5164864355401251
Energy: 0.5160644005193477
Energy: 0.5174325758590127
Energy: 0.5176824765196139
Energy: 0.5331660384164034
Energy: 0.5176824765190376
Energy: 0.5163974655334532
Energy: 0.5159115670216939
Energy: 0.5349171810390629
Energy: 0.51591156702227
Energy: 0.5337914084751267
Energy: 0.539766983871503
Energy: 0.5329485600785708
Energy: 0.5397669838720792
Energy: 0.564430774041918
Energy: 0.5398821140442038
Energy: 0.5369459066894644
Energy: 0.5398821140442038
Energy: 0.553758870871342
Energy: 0.5523883414254933
Energy: 0.592701183281942
Energy: 0.5523883414260694
Energy: 0.5538631585212341
Energy: 0.5524529580824862
Energy: 0.5721209234753437
Energy: 0.5524529580824862
Energy: 0.5534374678090654
Energy: 0.5532849660687703
Energy: 0.5515288666288731
Energy: 0.5532849660687703
Energy: 0.5624546499655996
Energy: 0.5524225110925767
Energy: 0.5362798787400959
Energy: 0.5524225110914244
Energy: 0.5141261046099177
Energy: 0.5376598319207262
Energy: 0.535235737959826
Energy: 0.5376598319207262
Energy: 0.5140696400043079
Energy: 0.539182380457721
Energy: 0.5338026342232645
Energy: 0.5391823804571448
Energy: 0.5153305283021389
Energy: 0.5153492201972053
Energy: 0.5126731963069221
Energy: 0.5153492201983576
Energy: 0.5153564184955465
Energy: 0.5158017500533273
Energy: 0.5363984126330185
Energy: 0.5158017500539035
Energy: 0.5159309625639424
Energy: 0.5169487847429463
Energy: 0.5459115960241269
Energy: 0.5169487847435225

minimum gb energy = 0.5126731963069221 eV
minimum distance =  2.65928290879981 Angstroms
sigma value = 1


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

Energy: 0.8340131111489051
Energy: 0.5365495369983447
Energy: 0.5659459485753691
Energy: 0.5660389469976679
Energy: 0.5370269688057111
Energy: 0.5913180126199579
Energy: 0.536139757694423
Energy: 0.591318012619301
Energy: 0.5656508427688979
Energy: 0.5667628940016198
Energy: 0.7659287632745688
Energy: 0.5667628939983353
Energy: 0.5376849184747703
Energy: 0.5365867340185674
Energy: 0.5357559001336532
Energy: 0.5365867340165966
Energy: 0.5364473694218795
Energy: 0.535983895116817
Energy: 0.5366306161942016
Energy: 0.5359838951135323
Energy: 0.565464125043414
Energy: 0.5837009442381024
Energy: 0.5356100251586275
Energy: 0.5837009442374455
Energy: 0.5617503312281555
Energy: 0.5664497731924713
Energy: 0.5921840318286388
Energy: 0.5664497731918443
Energy: 0.5633123496787397
Energy: 0.5668234234967481
Energy: 0.588269912156606
Energy: 0.5668234234967481
Energy: 0.561366670362023
Energy: 0.5806300074998729
Energy: 0.5934159643184634
Energy: 0.5806300075064423
Energy: 0.5889669453774674
Energy: 0.5844183684466104
Energy: 0.5624816552821283
Energy: 0.5844183684446397
Energy: 0.5373684568570426
Energy: 0.5649586644874659
Energy: 0.5673064241003286
Energy: 0.5649586644900936
Energy: 0.5364858668743766
Energy: 0.565948224034357
Energy: 0.561884511136861
Energy: 0.5659482240337
Energy: 0.5364135621791201
Energy: 0.5359409024244213
Energy: 0.5359963476344041
Energy: 0.5359409024237644
Energy: 0.5352166448923956
Energy: 0.5364160352644808
Energy: 0.5560501988028081
Energy: 0.5364160352657946
Energy: 0.5333792104329418
Energy: 0.5659881840446016
Energy: 0.5654606117120752
Energy: 0.5659881840413171
Energy: 0.537419155832531
Energy: 0.5363590748775169
Energy: 0.5358904333779427
Energy: 0.5363590748748892
Energy: 0.567330671665055
Energy: 0.5661225117172224
Energy: 0.5365298965409419
Energy: 0.5661225117178793
Energy: 0.5389860742755004
Energy: 0.536446664869698
Energy: 0.590698982610355
Energy: 0.5364466648716689
Energy: 0.5354457171237004
Energy: 0.5390161203704621
Energy: 0.5383965046391693
Energy: 0.539016120371776
Energy: 0.5643714086807894
Energy: 0.5362691687003492
Energy: 0.5357467105144246
Energy: 0.5362691686872106
Energy: 0.5615574279578582
Energy: 0.5668486848469212
Energy: 0.6438301821033453
Energy: 0.5668486848475781
Energy: 0.5611862723128122
Energy: 0.5667680224182877
Energy: 0.5589480112359785
Energy: 0.566768022415003
Energy: 0.5614346031779403
Energy: 0.5808418206792202
Energy: 0.5817875432990188
Energy: 0.5808418206759356
Energy: 0.5637726040994689
Energy: 0.5814892114998131
Energy: 0.5621891008283395
Energy: 0.5814892114984993
Energy: 0.5371077077031121
Energy: 0.5653915604590024
Energy: 0.5653378440642588
Energy: 0.5653915604609734
Energy: 0.5365106422427947
Energy: 0.5655712504783953
Energy: 0.5636810121065753
Energy: 0.565571250481023
Energy: 0.5359180572146428
Energy: 0.5360060689384949
Energy: 0.5367122413417617
Energy: 0.5360060689384949
Energy: 0.5362291190668869
Energy: 0.5361070462557096
Energy: 0.5344187357211708
Energy: 0.5361070462530818
Energy: 0.5334261024265871
Energy: 0.5384927230660496
Energy: 0.5662939010522977
Energy: 0.5384927230640787

minimum gb energy = 0.5333792104329418 eV
minimum distance =  2.65837719567666 Angstroms
sigma value = 25


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

Energy: 0.7977317633460145
Energy: 0.5536508366955004
Energy: 0.5887547901259218
Energy: 0.5885712346990166
Energy: 0.5627389070290849
Energy: 0.6128706300217809
Energy: 0.559462421707549
Energy: 0.6128706300225447
Energy: 0.58835489433757
Energy: 0.5885355934275431
Energy: 0.6396102530710583
Energy: 0.5885355934275431
Energy: 0.560966563518666
Energy: 0.5594013307802979
Energy: 0.5590117441530135
Energy: 0.5594013307810615
Energy: 0.5563471612470808
Energy: 0.5590404507599424
Energy: 0.5588902506195417
Energy: 0.5590404507599424
Energy: 0.5797226504326356
Energy: 0.569171754369863
Energy: 0.5589387208537756
Energy: 0.569171754369863
Energy: 0.5837987462964728
Energy: 0.5993473408617191
Energy: 0.5814311312017074
Energy: 0.5993473408624828
Energy: 0.5786659799395143
Energy: 0.5997386417555859
Energy: 0.5679281450154968
Energy: 0.5997386417548223
Energy: 0.5785670835132578
Energy: 0.5985818369164945
Energy: 0.5649069422774049
Energy: 0.5985818369164945
Energy: 0.5789553142632684
Energy: 0.599686757715819
Energy: 0.5591794991645249
Energy: 0.5996867577165828
Energy: 0.5507368135056249
Energy: 0.5588120195790695
Energy: 0.5581523203143067
Energy: 0.5588120195798331
Energy: 0.5508290860861482
Energy: 0.5588649089156602
Energy: 0.5590850623389054
Energy: 0.5588649089156602
Energy: 0.5878161398541019
Energy: 0.5887643558408506
Energy: 0.5502675001458238
Energy: 0.5887643558416144
Energy: 0.5585759488095315
Energy: 0.5585831154779111
Energy: 0.5638984019833828
Energy: 0.5585831154771473
Energy: 0.5562852142272492
Energy: 0.5888303794554165
Energy: 0.5906281921931218
Energy: 0.5888303794554165
Energy: 0.5866493054113703
Energy: 0.5587097905773999
Energy: 0.5893000208995984
Energy: 0.5587097905781636
Energy: 0.5587892712187834
Energy: 0.5642006362527925
Energy: 0.556697017286483
Energy: 0.5642006362527925
Energy: 0.5587871529480548
Energy: 0.5588429063082854
Energy: 0.5790674090151517
Energy: 0.558842906309049
Energy: 0.6072445812746584
Energy: 0.6007467553059745
Energy: 0.5850496900158941
Energy: 0.6007467553059745
Energy: 0.5681936609635228
Energy: 0.5991937947212778
Energy: 0.5799569447802324
Energy: 0.5991937947220415
Energy: 0.5635018321646178
Energy: 0.5982764854384689
Energy: 0.5787804287131277
Energy: 0.5982764854384689
Energy: 0.5637655096948807
Energy: 0.5981266132795104
Energy: 0.5789382986660861
Energy: 0.598126613280274
Energy: 0.557231875309518
Energy: 0.5588250194810976
Energy: 0.5510401758135209
Energy: 0.5588250194810976
Energy: 0.5586890905778279
Energy: 0.5593895289561774
Energy: 0.5511465379747849
Energy: 0.5593895289561774
Energy: 0.5498449069957595
Energy: 0.5631897158496099
Energy: 0.5892327534586804
Energy: 0.5631897158488461

minimum gb energy = 0.5498449069957595 eV
minimum distance =  2.6488374108105 Angstroms
sigma value = 9


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

Energy: 0.7416638142118217
Energy: 0.5700130996620818
Energy: 0.6109845223820731
Energy: 0.6105456741418314
Energy: 0.5991770138109845
Energy: 0.6317373950620883
Energy: 0.5846068199530238
Energy: 0.6317373950629992
Energy: 0.6105375583712827
Energy: 0.610551176961761
Energy: 0.5808471955442525
Energy: 0.610551176961761
Energy: 0.5852658380076379
Energy: 0.5869489627445601
Energy: 0.5841723391778852
Energy: 0.5869489627463823
Energy: 0.605061843524221
Energy: 0.5877699073367919
Energy: 0.584563486442246
Energy: 0.5877699073367919
Energy: 0.5852369533078701
Energy: 0.5862567708925457
Energy: 0.5863734913437962
Energy: 0.5862567708798124
Energy: 0.6037508747454755
Energy: 0.636065668818008
Energy: 0.5858125221120616
Energy: 0.636065668818008
Energy: 0.586591228943902
Energy: 0.6378586962205682
Energy: 0.5849978639952912
Energy: 0.6378586962214793
Energy: 0.5862837215908688
Energy: 0.5878625213783628
Energy: 0.565513676141932
Energy: 0.5878625213792738
Energy: 0.5841953014036191
Energy: 0.5861136406945008
Energy: 0.5646771480804663
Energy: 0.5861136406963229
Energy: 0.5631038126930489
Energy: 0.6108457597738551
Energy: 0.609738106809218
Energy: 0.6108457597729441
Energy: 0.5987774456080939
Energy: 0.5862662281243143
Energy: 0.5847451547609556
Energy: 0.5862662281461782
Energy: 0.6105751113512856
Energy: 0.6109343496785438
Energy: 0.5811970233331306
Energy: 0.6109343496794547
Energy: 0.6116447229529479
Energy: 0.5872927861461036
Energy: 0.6067632827648977
Energy: 0.5872927861479256
Energy: 0.581277815832501
Energy: 0.5847131044916039
Energy: 0.5862268279834014
Energy: 0.584713104492515
Energy: 0.5861496131407041
Energy: 0.5870752430313746
Energy: 0.5862736530360514
Energy: 0.5870752430295733
Energy: 0.5966854362843381
Energy: 0.6373899724532434
Energy: 0.5849180558598533
Energy: 0.6373899724541543
Energy: 0.5967745480244512
Energy: 0.6363421172216269
Energy: 0.5859663325768035
Energy: 0.6363421172207159
Energy: 0.5841507022603488
Energy: 0.5879545140502995
Energy: 0.565309242776416
Energy: 0.5879545140484775
Energy: 0.5843176481685145
Energy: 0.5866557306343899
Energy: 0.5646515258410049
Energy: 0.586655730632568
Energy: 0.5633293775131464
Energy: 0.5856818850432267
Energy: 0.6119960938803134
Energy: 0.5856818850423157

minimum gb energy = 0.5631038126930489 eV
minimum distance =  2.6560251691696 Angstroms
sigma value = 25


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

Energy: 0.6589636298499059
Energy: 0.5817401165771965
Energy: 0.6298950662424565
Energy: 0.6291275433630319
Energy: 0.6337843264569055
Energy: 0.6223384065074472
Energy: 0.5939234068057979
Energy: 0.622338406508574
Energy: 0.6292228960680071
Energy: 0.6287166497054468
Energy: 0.5740377932496269
Energy: 0.6287166497065735
Energy: 0.5789001665597704
Energy: 0.6227445126362156
Energy: 0.5947261590528975
Energy: 0.6227445126362156
Energy: 0.5894607804305805
Energy: 0.6260462920832689
Energy: 0.5959446060933677
Energy: 0.6260462920832689
Energy: 0.5780869914451086
Energy: 0.6254143537420379
Energy: 0.5925016387468378
Energy: 0.6254143537431646
Energy: 0.5746231457817874
Energy: 0.6257622234594612
Energy: 0.5944098536653055
Energy: 0.6257622234594612
Energy: 0.5746127613353689
Energy: 0.6233366552113545
Energy: 0.5947078295742061
Energy: 0.623336655206848
Energy: 0.6275986092948925
Energy: 0.6294648894472321
Energy: 0.5762425604315924
Energy: 0.6294648894461055
Energy: 0.5949483175732172
Energy: 0.6250453490600797
Energy: 0.5740749156249844
Energy: 0.6250453490578266
Energy: 0.573974807561692
Energy: 0.6295081004980629
Energy: 0.6294656596592664
Energy: 0.6295081004969364
Energy: 0.6244706766918544
Energy: 0.6238568537869237
Energy: 0.629764033438271
Energy: 0.6238568537869237
Energy: 0.5940485790203602
Energy: 0.5788358889553625
Energy: 0.6169414381862415
Energy: 0.5788358889936679
Energy: 0.5944386363167004
Energy: 0.6249957881881343
Energy: 0.5796853540075362
Energy: 0.6249957881870075
Energy: 0.5942135083940545
Energy: 0.6259036684679067
Energy: 0.5746091903953826
Energy: 0.6259036684679067
Energy: 0.5931766625815965
Energy: 0.6270105241930155
Energy: 0.5750260011898274
Energy: 0.6270105241896357
Energy: 0.5747360925585832
Energy: 0.5784244060844235
Energy: 0.6293603956740483
Energy: 0.5784244060911833

minimum gb energy = 0.573974807561692 eV
minimum distance =  2.72228645339764 Angstroms
sigma value = 17


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

Energy: 0.9376526155079068
Energy: 0.6412256040234913
Energy: 0.6704049297304854
Energy: 0.6705493485059457
Energy: 0.6214881952532152
Energy: 0.6294584688486408
Energy: 0.6606251247850419
Energy: 0.6294584688486408
Energy: 0.61648320157206
Energy: 0.6148566408528892
Energy: 0.6615668388433735
Energy: 0.6148566408541654
Energy: 0.6172189652969259
Energy: 0.653720348645686
Energy: 0.6258912178477508
Energy: 0.6537203486444098
Energy: 0.626801983067705
Energy: 0.6653714545694048
Energy: 0.5896200467568661
Energy: 0.6653714545694048
Energy: 0.6275316760342232
Energy: 0.6591348047897408
Energy: 0.6271543879897454
Energy: 0.6591348047954835
Energy: 0.661312179973339
Energy: 0.6149661679385928
Energy: 0.6141781543210252
Energy: 0.6149661679379548
Energy: 0.6684692719893908
Energy: 0.6272313037841817
Energy: 0.6158321843028847
Energy: 0.6272313037848197
Energy: 0.6737493008687999
Energy: 0.6722434391805772
Energy: 0.6506005412706021
Energy: 0.672243439179301
Energy: 0.6720274328630667
Energy: 0.6575343633872018
Energy: 0.6575967080907609
Energy: 0.6575343633872018
Energy: 0.624689487221388
Energy: 0.6135588020099043
Energy: 0.5995375028905559
Energy: 0.6135588020105424
Energy: 0.6638170804008523
Energy: 0.6108505959999669
Energy: 0.6034116652036637
Energy: 0.610850595999329
Energy: 0.6611786899034883
Energy: 0.6125798906427894
Energy: 0.6116168322412345
Energy: 0.6125798906408753
Energy: 0.662925264020633
Energy: 0.6267899567148554
Energy: 0.599712166366881
Energy: 0.6267899567142174
Energy: 0.6723387121697292
Energy: 0.6733638314792061
Energy: 0.6678496366746474
Energy: 0.6733638314792061
Energy: 0.6725516104897424
Energy: 0.6551982014115696
Energy: 0.668825177068391
Energy: 0.6551982014122077
Energy: 0.6612998849240591
Energy: 0.6271185962226262
Energy: 0.6161330353030062
Energy: 0.6271185962219882
Energy: 0.6618418767527434
Energy: 0.6271830188279373
Energy: 0.6156598592703098
Energy: 0.6271830188272992
Energy: 0.62677260682032
Energy: 0.6721196491605496
Energy: 0.6279002026684003
Energy: 0.6721196491611876
Energy: 0.6368380280632179
Energy: 0.6654553358517126
Energy: 0.6273729308834846
Energy: 0.6654553358529888
Energy: 0.6161941178871767
Energy: 0.6273941410606314
Energy: 0.6686195272769084
Energy: 0.6273941410606314
Energy: 0.6157801910465179
Energy: 0.6153042995572349
Energy: 0.649090643172464
Energy: 0.6153042995572349
Energy: 0.6320813643759983
Energy: 0.6556021562253844
Energy: 0.6510423768616493
Energy: 0.6556021562260225
Energy: 0.6603212836438517
Energy: 0.6722011838443848
Energy: 0.6694624323849816
Energy: 0.6722011838443848
Energy: 0.6033809976097884
Energy: 0.6272693118008723
Energy: 0.6644835888230914
Energy: 0.6272693118015104
Energy: 0.6042881378999738
Energy: 0.6143151710791066
Energy: 0.6534692688362962
Energy: 0.6143151710791066
Energy: 0.5990551429927256
Energy: 0.6006775381256432
Energy: 0.6628449213368218
Energy: 0.6006775381256432
Energy: 0.6029750229434266
Energy: 0.612514278172483
Energy: 0.6655830576852065
Energy: 0.612514278172483
Energy: 0.6059088689887797
Energy: 0.6279153430425882
Energy: 0.6378719766297125
Energy: 0.6279153430432263
Energy: 0.6587104803985373
Energy: 0.6726302856264568
Energy: 0.6694376389661431
Energy: 0.6726302856258187

minimum gb energy = 0.5896200467568661 eV
minimum distance =  2.68280113113145 Angstroms
sigma value = 53


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

Energy: 0.8453200188175575
Energy: 0.5479783604309346
Energy: 0.6193800856295189
Energy: 0.622576275903673
Energy: 0.7352213256477633
Energy: 0.5886453264894403
Energy: 0.6287159504550354
Energy: 0.5886453264897408
Energy: 0.6192557190814055
Energy: 0.6230085520621911
Energy: 0.6198545118019889
Energy: 0.6230085520608722
Energy: 0.6294891441722734
Energy: 0.5886600378847135
Energy: 0.6696020131235818
Energy: 0.5886600378844132
Energy: 0.6284826328175241
Energy: 0.5948729709882566
Energy: 0.5469857636355914
Energy: 0.5948729709866541
Energy: 0.6679025615443323
Energy: 0.5900540756490504
Energy: 0.5464578191571473
Energy: 0.5900540756484662
Energy: 0.6838692943554009
Energy: 0.625744800665555
Energy: 0.6221578453242818
Energy: 0.6257448006652712
Energy: 0.6836275931509369
Energy: 0.5894155131779334
Energy: 0.6250655159263092
Energy: 0.5894155131785176
Energy: 0.6200529409534642
Energy: 0.6230615663983499
Energy: 0.6193952514283995
Energy: 0.6230615663976155
Energy: 0.6290555461029517
Energy: 0.5894877020963282
Energy: 0.6315111926759913
Energy: 0.5894877020961946
Energy: 0.6283443909637901
Energy: 0.5901123549664445
Energy: 0.546473779472156
Energy: 0.5901123549661607
Energy: 0.668641782592862
Energy: 0.5889250227951532
Energy: 0.5479016140109997
Energy: 0.5889250227853213
Energy: 0.68404060686858
Energy: 0.5897104809206749
Energy: 0.6272729019921165
Energy: 0.5897104809208251

minimum gb energy = 0.5464578191571473 eV
minimum distance =  2.70781821665595 Angstroms
sigma value = 9


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

Energy: 0.8282270417259702
Energy: 0.6602751271623482
Energy: 0.6911637853212239
Energy: 0.692615612613199
Energy: 0.6380230747789037
Energy: 0.6047500569964542
Energy: 0.6953281263587067
Energy: 0.6047500569969979
Energy: 0.6020900548553223
Energy: 0.6028284247833203
Energy: 0.6899423935994484
Energy: 0.6028284247833203
Energy: 0.6022324491450701
Energy: 0.6031522042527787
Energy: 0.7488270410644372
Energy: 0.6031522042538662
Energy: 0.602049006410961
Energy: 0.6078994510123226
Energy: 0.7251500123547465
Energy: 0.6078994510117788
Energy: 0.6096571312928909
Energy: 0.6062061170373284
Energy: 0.7250167220008422
Energy: 0.6062061170873223
Energy: 0.7146599219105764
Energy: 0.6922522065449509
Energy: 0.6961847537069583
Energy: 0.6922522065444073
Energy: 0.7153993794081218
Energy: 0.6038720215713493
Energy: 0.6959255307436425
Energy: 0.6038720215713493
Energy: 0.6385240060604673
Energy: 0.6365032227455338
Energy: 0.6574530053841322
Energy: 0.6365032227460774
Energy: 0.6083777054914543
Energy: 0.6056792573328741
Energy: 0.7276276469059064
Energy: 0.6056792573915667
Energy: 0.6314570965587134
Energy: 0.6337020931109876
Energy: 0.6900486773531405
Energy: 0.6337020931120749
Energy: 0.6293601843581186
Energy: 0.6328303738378493
Energy: 0.7712427509303845
Energy: 0.6328303738378493
Energy: 0.7185790023655761
Energy: 0.6335394773853256
Energy: 0.6291085418698832
Energy: 0.633539477386413
Energy: 0.6921403961308815
Energy: 0.6297596895423977
Energy: 0.6283908972753363
Energy: 0.6297596895418541
Energy: 0.7284576129630681
Energy: 0.6357851943178159
Energy: 0.6439095736983421
Energy: 0.6357851943156411
Energy: 0.6583235318747368
Energy: 0.6611813063475485
Energy: 0.6452211503495848
Energy: 0.661181306348092
Energy: 0.693363489287595
Energy: 0.6058597235249618
Energy: 0.6313701153769995
Energy: 0.6058597235255055
Energy: 0.6917783226432237
Energy: 0.6924406289866344
Energy: 0.8263096811691761
Energy: 0.6924406289817661
Energy: 0.6952148235528248
Energy: 0.6046446656005975
Energy: 0.6388119542413117
Energy: 0.6046446655935296
Energy: 0.7700949849703812
Energy: 0.6024871139338631
Energy: 0.6028113531976514
Energy: 0.6024871139327758
Energy: 0.7245608114017298
Energy: 0.6034174071236724
Energy: 0.6024812523244858
Energy: 0.6034174071225851
Energy: 0.7249784558320996
Energy: 0.6073533865299577
Energy: 0.6062202083992073
Energy: 0.6073533865011674
Energy: 0.7248862638584741
Energy: 0.6074300180040514
Energy: 0.6090457555137417
Energy: 0.6074300180051387
Energy: 0.6940602424665773
Energy: 0.6914811802954863
Energy: 0.6893313189487158
Energy: 0.6914811802954863
Energy: 0.6937443216442937
Energy: 0.6039417488457406
Energy: 0.7157231285553728
Energy: 0.6039417488435659
Energy: 0.6471689359151804
Energy: 0.609434786815427
Energy: 0.6356319452066765
Energy: 0.6094347868165143
Energy: 0.7301186552251574
Energy: 0.6060495895198322
Energy: 0.6098866923539614
Energy: 0.6060495895165702
Energy: 0.6856268084535194
Energy: 0.6334958321606756
Energy: 0.6326035494539006
Energy: 0.6334958321612192
Energy: 0.7481182963250126
Energy: 0.6307679564817232
Energy: 0.6343377939004531
Energy: 0.6307679564746556
Energy: 0.6296137304492764
Energy: 0.6334244759671385
Energy: 0.7182768199712981
Energy: 0.6334244759660509
Energy: 0.628858389662281
Energy: 0.6293182294572657
Energy: 0.6884829657898186
Energy: 0.6293182294567219
Energy: 0.6422209223162398
Energy: 0.6344524411696452
Energy: 0.7279972796909435
Energy: 0.6344524411707324
Energy: 0.644791334998933
Energy: 0.6663464995287216
Energy: 0.658330961986103
Energy: 0.6663464995292652
Energy: 0.6320454406931213
Energy: 0.606167643303155
Energy: 0.6798595601785425
Energy: 0.606167643303155
Energy: 0.7691880909207848
Energy: 0.6923050332881999
Energy: 0.6926426431494183
Energy: 0.6923050332925493

minimum gb energy = 0.602049006410961 eV
minimum distance =  2.68019634994709 Angstroms
sigma value = 73


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

Energy: 0.8423028514539495
Energy: 0.6374717405052972
Energy: 0.6729150023989316
Energy: 0.6732620367801907
Energy: 0.6479313523870625
Energy: 0.6160467619482285
Energy: 0.6734055089059066
Energy: 0.6160467621784423
Energy: 0.614765418588157
Energy: 0.615841756685007
Energy: 0.6889564390287027
Energy: 0.6158417566867321
Energy: 0.6129466443995326
Energy: 0.6167135645452427
Energy: 0.7771306059825005
Energy: 0.6167135645443802
Energy: 0.6162643238197922
Energy: 0.6243007257844457
Energy: 0.6956320503378345
Energy: 0.6243007257853083
Energy: 0.6231735869685725
Energy: 0.6179191538980294
Energy: 0.6954614588280141
Energy: 0.6179191538997546
Energy: 0.6343019236932195
Energy: 0.7156357442547584
Energy: 0.69342509734976
Energy: 0.7156357442538958
Energy: 0.6583502726932087
Energy: 0.6303415888871468
Energy: 0.6929280860309517
Energy: 0.6303415888880092
Energy: 0.6326190927631713
Energy: 0.6030681066810198
Energy: 0.6916577333775619
Energy: 0.6030681066810198
Energy: 0.641243134112842
Energy: 0.6783559049895681
Energy: 0.7150419777431839
Energy: 0.6783559049904307
Energy: 0.6305304935361078
Energy: 0.6418364365424999
Energy: 0.6010069818461734
Energy: 0.6418364365424999
Energy: 0.6262281999824205
Energy: 0.6005922880110985
Energy: 0.7442820690808255
Energy: 0.6005922880110985
Energy: 0.7217379978311637
Energy: 0.6433891280055998
Energy: 0.6410699587974072
Energy: 0.643389128007325
Energy: 0.6887185280302397
Energy: 0.653958334756539
Energy: 0.6414189395761395
Energy: 0.6539583347582641
Energy: 0.7230384145515322
Energy: 0.6525608475600952
Energy: 0.6374581600558267
Energy: 0.6525608475600952
Energy: 0.6955675681480784
Energy: 0.6331245970091852
Energy: 0.6317226317510035
Energy: 0.6331245970074602
Energy: 0.7143502710841316
Energy: 0.6582782960608283
Energy: 0.6401448059303152
Energy: 0.658278296063416
Energy: 0.6770684667070475
Energy: 0.6750950515253901
Energy: 0.6337729588004795
Energy: 0.6750950515262527
Energy: 0.6823804467068023
Energy: 0.6592025663614492
Energy: 0.6582277469415524
Energy: 0.6592025663614492
Energy: 0.6833825672648162
Energy: 0.6577718436989977
Energy: 0.6922898057175542
Energy: 0.657771843698135
Energy: 0.6995238689391252
Energy: 0.6561205554315224
Energy: 0.6406822379954512
Energy: 0.6561205554315224
Energy: 0.6915045354621364
Energy: 0.6589847626517662
Energy: 0.6730301369268726
Energy: 0.6589847626517662

minimum gb energy = 0.6005922880110985 eV
minimum distance =  2.65084821237483 Angstroms
sigma value = 7


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

Energy: 0.9184192998860801
Energy: 0.6328953599919344
Energy: 0.6785363338925826
Energy: 0.673787857038832
Energy: 0.6198267327146648
Energy: 0.6178569498261116
Energy: 0.6866976311327809
Energy: 0.6178569496645319
Energy: 0.6140269206433626
Energy: 0.616829002181009
Energy: 0.684676633287992
Energy: 0.6168290021797891
Energy: 0.6094672991564535
Energy: 0.6177002020734366
Energy: 0.6786018388911361
Energy: 0.6177002020746564
Energy: 0.615092333228347
Energy: 0.6138732159460332
Energy: 0.7408799812665608
Energy: 0.6138732159466431
Energy: 0.616237285579781
Energy: 0.6452909292506215
Energy: 0.7390762857492462
Energy: 0.6452909292536713
Energy: 0.6778453165857022
Energy: 0.6170114327021702
Energy: 0.6185270712604104
Energy: 0.6170114326997305
Energy: 0.676407600771894
Energy: 0.6403458880932887
Energy: 0.6168104854518224
Energy: 0.6403458880938986
Energy: 0.6815489414372462
Energy: 0.6150022331132474
Energy: 0.6127169867513711
Energy: 0.6150022331144674
Energy: 0.753120093964878
Energy: 0.6401913390334588
Energy: 0.6170451917123256
Energy: 0.6401913390346786
Energy: 0.6800070515543458
Energy: 0.615958130624387
Energy: 0.6151851711652501
Energy: 0.6159581306213373
Energy: 0.6754895842276633
Energy: 0.6750074039193695
Energy: 0.6972796680448332
Energy: 0.6750074039151277
Energy: 0.6790296555253506
Energy: 0.613959096197069
Energy: 0.6887938857945374
Energy: 0.6139590962001188
Energy: 0.6811672947002465
Energy: 0.6509029930658692
Energy: 0.6195909915122163
Energy: 0.6509029930701389
Energy: 0.6891905164013368
Energy: 0.6539041417561301
Energy: 0.6187646762534919
Energy: 0.6539041417567402
Energy: 0.6276206787564137
Energy: 0.6773642091771898
Energy: 0.6755217275748118
Energy: 0.6773642091765798
Energy: 0.62389275406589
Energy: 0.6159367831164466
Energy: 0.6830357308335641
Energy: 0.6159367831176665
Energy: 0.6176594385526013
Energy: 0.6407362170315285
Energy: 0.688193415747431
Energy: 0.6407362170315285
Energy: 0.6126587695011585
Energy: 0.6149932618702583
Energy: 0.6797543523585984
Energy: 0.6149932618641588
Energy: 0.6161078330097051
Energy: 0.6414282078869202
Energy: 0.6266557669911468
Energy: 0.6414282078875304
Energy: 0.6158024641233442
Energy: 0.651634475952948
Energy: 0.7443154699482873
Energy: 0.6516344759517283
Energy: 0.6760374250956055
Energy: 0.6124431297572095
Energy: 0.616014954396557
Energy: 0.6124431297681886
Energy: 0.6777895646091208
Energy: 0.6148918286567754
Energy: 0.6154669526010667
Energy: 0.6148918286512858
Energy: 0.7421796486141766
Energy: 0.6160894156578495
Energy: 0.6106343780347866
Energy: 0.6160894156602892
Energy: 0.7494989063135418
Energy: 0.6168270426836877
Energy: 0.6141549064977939
Energy: 0.6168270426849075
Energy: 0.7385806094181383
Energy: 0.617343808621341
Energy: 0.6161419059436064
Energy: 0.6173438086225608
Energy: 0.6791512167542082
Energy: 0.675271322339383
Energy: 0.8347408939171492
Energy: 0.6752713223357233
Energy: 0.67815308839451
Energy: 0.6153767746343612
Energy: 0.6168196215534761
Energy: 0.6153767746325313
Energy: 0.6855416404861596
Energy: 0.6562946963583525
Energy: 0.67788213174584
Energy: 0.6562946963522529
Energy: 0.6874144154691826
Energy: 0.6866535833431043
Energy: 0.6195572145313385
Energy: 0.6866535833412746
Energy: 0.6229591210878933
Energy: 0.67773979604567
Energy: 0.6747003202718865
Energy: 0.6777397960493297

minimum gb energy = 0.6094672991564535 eV
minimum distance =  2.66570841397175 Angstroms
sigma value = 29


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

Energy: 0.569321484835858
Energy: 0.5926655297824445
Energy: 0.6178057178463483
Energy: 0.5810487674040484
Energy: 0.5705924146419898
Energy: 0.5821836602796471
Energy: 0.6021373543172784
Energy: 0.5821836602856668
Energy: 0.5878639219950051
Energy: 0.5806740288039155
Energy: 0.572676139900643
Energy: 0.5806740288037265
Energy: 0.5780542040434736
Energy: 0.5820766323801283
Energy: 0.5852274446638754
Energy: 0.5820766323745336
Energy: 0.5755129368755224
Energy: 0.582293288053925
Energy: 0.5695028521530949
Energy: 0.5822932880595435
Energy: 0.585119077975977
Energy: 0.6148310790201803
Energy: 0.5706272124767409
Energy: 0.6148310790210066
Energy: 0.567968081068596
Energy: 0.6195018626607659
Energy: 0.5859409308087387
Energy: 0.6195018626603647
Energy: 0.6020445276515
Energy: 0.583843419362861
Energy: 0.57651493884597
Energy: 0.5838434193649384
Energy: 0.570662230913964
Energy: 0.5813230882312622
Energy: 0.5799481539020221
Energy: 0.5813230882302235

minimum gb energy = 0.567968081068596 eV
minimum distance =  2.68304474920357 Angstroms
sigma value = 5


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

Energy: 0.7553761983059452
Energy: 0.5991076870604976
Energy: 0.5902110451717856
Energy: 0.5889512923999727
Energy: 0.5690464485039085
Energy: 0.587585967327061
Energy: 0.6687201686964828
Energy: 0.5875859673276372
Energy: 0.6693319961225092
Energy: 0.6359556961914652
Energy: 0.6765551039379466
Energy: 0.6359556961920413
Energy: 0.6039860915266058
Energy: 0.6382408643219104
Energy: 0.66540649426738
Energy: 0.6382408643224864
Energy: 0.6246187496438105
Energy: 0.5924568252365096
Energy: 0.6665509723482175
Energy: 0.5924568252370859
Energy: 0.6006978195009252
Energy: 0.5965907394683024
Energy: 0.6662947237815325
Energy: 0.5965907394671502
Energy: 0.5856944821276667
Energy: 0.586587739101762
Energy: 0.6319480372056262
Energy: 0.586587739101762
Energy: 0.5914777624520116
Energy: 0.5881592222548997
Energy: 0.5672591217588598
Energy: 0.588159222284258
Energy: 0.5926153418257007
Energy: 0.6029364564291017
Energy: 0.727888419362855
Energy: 0.6029364564291017
Energy: 0.6783755827354587
Energy: 0.5775063382619595
Energy: 0.5717650131638806
Energy: 0.5775063382608071
Energy: 0.5921761553749164
Energy: 0.5675335360669888
Energy: 0.5674875316889991
Energy: 0.5675335360669888
Energy: 0.5664439051167395
Energy: 0.5695111207083849
Energy: 0.5668946295367681
Energy: 0.5695111207095374
Energy: 0.7461060200164837
Energy: 0.5679960931697425
Energy: 0.5712715031817794
Energy: 0.5679960931691663
Energy: 0.6018600802635775
Energy: 0.5984890509030505
Energy: 0.6694898607767047
Energy: 0.5984890509024744
Energy: 0.5858058266422586
Energy: 0.5885428320577438
Energy: 0.6678845721686403
Energy: 0.5885428320571676
Energy: 0.5878929940301267
Energy: 0.5866977646018265
Energy: 0.6456638769236994
Energy: 0.5866977646012504
Energy: 0.5877885487272732
Energy: 0.5969924323415673
Energy: 0.6040730926184306
Energy: 0.5969924322822484
Energy: 0.6620706673930655
Energy: 0.5878513401059771
Energy: 0.5746322371356698
Energy: 0.5878513401059771
Energy: 0.6785140771025712
Energy: 0.6369908193045193
Energy: 0.6693232537953941
Energy: 0.6369908193039433
Energy: 0.6071030184578994
Energy: 0.6411552242516024
Energy: 0.6030894396289738
Energy: 0.6411552242516024
Energy: 0.6662968589637218
Energy: 0.5891580854655327
Energy: 0.6696415484745241
Energy: 0.5891580854661089
Energy: 0.6663570144188893
Energy: 0.5933980331534592
Energy: 0.6013254499284248
Energy: 0.5933980331540355
Energy: 0.6635221407877099
Energy: 0.5865150144994021
Energy: 0.5860291599168812
Energy: 0.5865150144999782
Energy: 0.5767904328669008
Energy: 0.5868557531665075
Energy: 0.5891779023886208
Energy: 0.5868557531659314
Energy: 0.7305529592011175
Energy: 0.6021290156928257
Energy: 0.5905716163023138
Energy: 0.6021290156916734
Energy: 0.5686490927334987
Energy: 0.5714740157930205
Energy: 0.6783441855705995
Energy: 0.5714740157924444
Energy: 0.5702107612001993
Energy: 0.5680411249682216
Energy: 0.5920010543370282
Energy: 0.5680411249676455
Energy: 0.5747661402745535
Energy: 0.5688028712119707
Energy: 0.6123762011813574
Energy: 0.5688028712125206
Energy: 0.5710408755568993
Energy: 0.5737002752678433
Energy: 0.5718868454526158
Energy: 0.5737002752638102
Energy: 0.6688280652018516
Energy: 0.603264559698105
Energy: 0.602294822934942
Energy: 0.6032645596963766
Energy: 0.6687603347389475
Energy: 0.5863320002318163
Energy: 0.5872783711823806
Energy: 0.5863320002283592
Energy: 0.6923106489290858
Energy: 0.5865878574673096
Energy: 0.5859707017982184
Energy: 0.5865878574661573
Energy: 0.6042257190731193
Energy: 0.5963042902156093
Energy: 0.5893013244568106
Energy: 0.5963042902167616

minimum gb energy = 0.5664439051167395 eV
minimum distance =  2.67131449551245 Angstroms
sigma value = 1


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

Energy: 0.790873806510107
Energy: 0.5483567476159761
Energy: 0.6350345617013078
Energy: 0.5671187421416092
Energy: 0.5737883749080676
Energy: 0.562347655803927
Energy: 0.5751840917457791
Energy: 0.5623476558047237
Energy: 0.5763756587531493
Energy: 0.6238454990402313
Energy: 0.5757360321726362
Energy: 0.6238454990410278
Energy: 0.5794885677101695
Energy: 0.624715380393885
Energy: 0.5908456654512739
Energy: 0.6247153803930884
Energy: 0.5889437746897549
Energy: 0.5744508603301279
Energy: 0.5850210701088663
Energy: 0.5744508603317212
Energy: 0.5749958731195977
Energy: 0.567499636575608
Energy: 0.5845494040544078
Energy: 0.5674996365748113
Energy: 0.5592657410125206
Energy: 0.560756745208543
Energy: 0.5760103788044846
Energy: 0.5607567452093396
Energy: 0.5626811716308576
Energy: 0.5631255814044432
Energy: 0.5380148585876381
Energy: 0.5631255814028501
Energy: 0.5879584163938876
Energy: 0.5877421225895597
Energy: 0.5403523494190848
Energy: 0.5877421225919496
Energy: 0.683672907490822
Energy: 0.5633760327729886
Energy: 0.5629074711919994
Energy: 0.5633760327745819
Energy: 0.5877275374754437
Energy: 0.5613070279733774
Energy: 0.5599474372136639
Energy: 0.5613070279701908
Energy: 0.5364089475535797
Energy: 0.5647918883048213
Energy: 0.5727190411390783
Energy: 0.5647918883048213
Energy: 0.5403757178341477
Energy: 0.5614078662875653
Energy: 0.5879975771474747
Energy: 0.5614078663640069
Energy: 0.5881117802803388
Energy: 0.6246907598285105
Energy: 0.5753871472866857
Energy: 0.6246907598301038
Energy: 0.5822928913319446
Energy: 0.623265088152592
Energy: 0.5751095405838125
Energy: 0.623265088152592
Energy: 0.5843642161688088
Energy: 0.5621039535611346
Energy: 0.5619511939764285
Energy: 0.5621039535595415
Energy: 0.5881392133831094
Energy: 0.5679260326092406
Energy: 0.5852110204759542
Energy: 0.5679260326148171
Energy: 0.5649388909514036
Energy: 0.5631024257414198
Energy: 0.5862027753415064
Energy: 0.5631024257406232
Energy: 0.5606327669652372
Energy: 0.5619235538428824
Energy: 0.5409411821428025
Energy: 0.5619235538428824
Energy: 0.56232098425038
Energy: 0.5741200617301799
Energy: 0.5379727150362092
Energy: 0.5741200617747739
Energy: 0.5722243625762384
Energy: 0.5893054036683484
Energy: 0.5751002540629501
Energy: 0.5893054036675518
Energy: 0.5722330953972229
Energy: 0.5616301019836252
Energy: 0.5638323961145746
Energy: 0.5616301019868117
Energy: 0.5616371504891687
Energy: 0.5606827706987174
Energy: 0.5606498524660446
Energy: 0.5606827706987174
Energy: 0.5416001352342267
Energy: 0.5610501714184795
Energy: 0.5750920118580992
Energy: 0.5610501714192763

minimum gb energy = 0.5364089475535797 eV
minimum distance =  2.65383014149457 Angstroms
sigma value = 17


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

Energy: 0.834360261967471
Energy: 0.5502534403353001
Energy: 0.6406057809200865
Energy: 0.5678686977552868
Energy: 0.5841950923379606
Energy: 0.5601850521747378
Energy: 0.637957948887198
Energy: 0.5601850521727684
Energy: 0.694013464669749
Energy: 0.5971766730176294
Energy: 0.6340784241316071
Energy: 0.5971766730171371
Energy: 0.6952233859199095
Energy: 0.5925814343163576
Energy: 0.6493759460532563
Energy: 0.5925814343168498
Energy: 0.632854325112568
Energy: 0.5488680983068035
Energy: 0.6366429339509383
Energy: 0.5488680983058187
Energy: 0.55444925127511
Energy: 0.546173377833587
Energy: 0.6388097312696189
Energy: 0.5461733778350641
Energy: 0.5459219795171524
Energy: 0.5456733607543316
Energy: 0.5948913950104386
Energy: 0.545673360754824
Energy: 0.5502444659946556
Energy: 0.5465335776551561
Energy: 0.5552328967379638
Energy: 0.546533577657618
Energy: 0.637460342015707
Energy: 0.547131678092428
Energy: 0.6938475142720416
Energy: 0.5471316780909509
Energy: 0.6331402231583385
Energy: 0.5604913067079087
Energy: 0.6390623439856251
Energy: 0.5604913067074163
Energy: 0.6358623535823392
Energy: 0.5609750726189502
Energy: 0.5695914840431172
Energy: 0.5609750726169807
Energy: 0.6354938581265469
Energy: 0.5614833936633483
Energy: 0.6446578810753366
Energy: 0.5614833936628559
Energy: 0.6381990573199613
Energy: 0.5685205788886217
Energy: 0.5768934897410357
Energy: 0.5685205788871447
Energy: 0.5591223982287455
Energy: 0.558694227886075
Energy: 0.559624563985967
Energy: 0.5586942278826283
Energy: 0.6934018796495425
Energy: 0.5598663330113007
Energy: 0.5637126324942041
Energy: 0.5598663330132703
Energy: 0.5678959278019402
Energy: 0.5789353950382434
Energy: 0.5595419139182761
Energy: 0.5789353950392282
Energy: 0.560490731465799
Energy: 0.5623973495974927
Energy: 0.6447115827060241
Energy: 0.562397349597985
Energy: 0.561612625494274
Energy: 0.5593751163899019
Energy: 0.6329199515811377
Energy: 0.5593751163903943
Energy: 0.5661882247477261
Energy: 0.5601516637871972
Energy: 0.6493182290832904
Energy: 0.560151663788182
Energy: 0.5788164097606565
Energy: 0.6345306778878032
Energy: 0.5563951659049697
Energy: 0.6345306778075885
Energy: 0.6367345477337292
Energy: 0.559716844662349
Energy: 0.5598696674675275
Energy: 0.559716844662349
Energy: 0.6352513211299685
Energy: 0.5888764727997665
Energy: 0.6937657779936515
Energy: 0.5888764728002589
Energy: 0.5965812262946691
Energy: 0.5877671497021676
Energy: 0.694664609591015
Energy: 0.5877671497016752
Energy: 0.6381301904057741
Energy: 0.5463478355457451
Energy: 0.6289493255848205
Energy: 0.5463478355447602
Energy: 0.636770453805381
Energy: 0.5469558109235451
Energy: 0.5521230272714712
Energy: 0.5469558109225602
Energy: 0.6402401274626712
Energy: 0.5463742040103644
Energy: 0.5480680540693652
Energy: 0.5463742040088873
Energy: 0.5446569640242287
Energy: 0.5471658110874599
Energy: 0.5524764861173949
Energy: 0.5471658110859828
Energy: 0.6508103985522254
Energy: 0.5470272528588253
Energy: 0.6339158432897631
Energy: 0.5470272528588253
Energy: 0.6370003743572268
Energy: 0.5619527518081211
Energy: 0.6330908506004138
Energy: 0.5619527518095984
Energy: 0.5703811015592541
Energy: 0.5602549005271896
Energy: 0.6335496550767069
Energy: 0.5602549005262049
Energy: 0.6467404360003446
Energy: 0.5686375029972945
Energy: 0.6368902095549702
Energy: 0.5686375029963098
Energy: 0.5734795404936524
Energy: 0.5641886725161837
Energy: 0.6373910903880112
Energy: 0.5641886725147066
Energy: 0.5586404242169473
Energy: 0.558214191657377
Energy: 0.5603174945154686
Energy: 0.558214191657377
Energy: 0.5643227909950421
Energy: 0.5604202537354147
Energy: 0.694218028639288
Energy: 0.5604202537354147
Energy: 0.5611222124508286
Energy: 0.5756986864540304
Energy: 0.5616266177498085
Energy: 0.5756986864525534
Energy: 0.7663514503458937
Energy: 0.5619698751290343
Energy: 0.5780639732168658
Energy: 0.5619698751290343
Energy: 0.634635169200766
Energy: 0.5588000810293758
Energy: 0.5591882386312548
Energy: 0.5588000810303159
Energy: 0.692207598753379
Energy: 0.5606741932435367
Energy: 0.5776065268491613
Energy: 0.5606741932435367

minimum gb energy = 0.5446569640242287 eV
minimum distance =  2.65164936368552 Angstroms
sigma value = 89


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

Energy: 0.8576625165764319
Energy: 0.5318762002438263
Energy: 0.5180909811807468
Energy: 0.5147178946746713
Energy: 0.5089388198708682
Energy: 0.5622157285663064
Energy: 0.525149625496618
Energy: 0.5622157285663064
Energy: 0.5079570777921045
Energy: 0.5620747973116235
Energy: 0.5269259412707089
Energy: 0.5620747973121506
Energy: 0.5091492896682521
Energy: 0.563278276899994
Energy: 0.5137071755033616
Energy: 0.5632782769001257
Energy: 0.5253803451046154
Energy: 0.5171627464917529
Energy: 0.5200668964238376
Energy: 0.5171627464917529
Energy: 0.5144897677513208
Energy: 0.5163182367534431
Energy: 0.5198440774177276
Energy: 0.5163182367535748
Energy: 0.5125632938725878
Energy: 0.5119389541872668
Energy: 0.5141250792770964
Energy: 0.5119389541873839
Energy: 0.5150524450446188
Energy: 0.5149434729216055
Energy: 0.5074966563118847
Energy: 0.5149434729219861
Energy: 0.5147092484832904
Energy: 0.513770324997799
Energy: 0.5110274809708503
Energy: 0.5137703249983114
Energy: 0.528470875584883
Energy: 0.563289155805565
Energy: 0.5261095353657473
Energy: 0.5632891558053016
Energy: 0.5281898169822026
Energy: 0.5636870638950159
Energy: 0.5069183935148709
Energy: 0.5636870638943717
Energy: 0.543676131261626
Energy: 0.5149410637291941
Energy: 0.5258270729981226
Energy: 0.5149410637291941
Energy: 0.5203319975278833
Energy: 0.5132470662917701
Energy: 0.5144264388060841
Energy: 0.5132470662917701
Energy: 0.5142154159222306
Energy: 0.511544668654434
Energy: 0.51174052285623
Energy: 0.51154466865521
Energy: 0.5075120629966905
Energy: 0.513248850520409
Energy: 0.513592044701549
Energy: 0.5132488505201455

minimum gb energy = 0.5069183935148709 eV
minimum distance =  2.6761956011593 Angstroms
sigma value = 13


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

Energy: 0.7661619289573467
Energy: 0.4999910575242272
Energy: 0.6082677216331227
Energy: 0.4965140138007946
Energy: 0.5977011763173741
Energy: 0.4952745243788992
Energy: 0.565519096152925
Energy: 0.4952745243810591
Energy: 0.5048765133365763
Energy: 0.4940445785747503
Energy: 0.5631263090384385
Energy: 0.49404457857691025
Energy: 0.620313717532138
Energy: 0.5576381551294158
Energy: 0.5709665261673199
Energy: 0.5576381551331957
Energy: 0.5705159226732067
Energy: 0.4959204252604864
Energy: 0.5721026115988287
Energy: 0.49592042525346647
Energy: 0.5643819385589282
Energy: 0.49505500162495103
Energy: 0.5704508291824335
Energy: 0.495055001628191
Energy: 0.5616972153801336
Energy: 0.49434398534836815
Energy: 0.5740087579645046
Energy: 0.49434398535106805
Energy: 0.5054733701731808
Energy: 0.4955620794963209
Energy: 0.5629043971372185
Energy: 0.49556207950496073
Energy: 0.4994366415646087
Energy: 0.49572795883402426
Energy: 0.5653510244922413
Energy: 0.4957279588388841
Energy: 0.4974390650892616
Energy: 0.4953862916024336
Energy: 0.5606340191090902
Energy: 0.4953862915975736
Energy: 0.4942578184973462
Energy: 0.4985937203937872
Energy: 0.7668746149225568
Energy: 0.498593720411067
Energy: 0.5713701810102156
Energy: 0.49420093899216566
Energy: 0.5624906613475927
Energy: 0.4942009389883857
Energy: 0.573324504764291
Energy: 0.5221678246017669
Energy: 0.5704995379924905
Energy: 0.5221678246060868
Energy: 0.571083665614939
Energy: 0.5236370752276995
Energy: 0.621618527665789
Energy: 0.5236370752303996
Energy: 0.5559852093716285
Energy: 0.4951409296141429
Energy: 0.5699778888965427
Energy: 0.4951409296092831
Energy: 0.5625104169275253
Energy: 0.49654072342540295
Energy: 0.49744208503674003
Energy: 0.49654072342540295
Energy: 0.5703108863156662
Energy: 0.4953305558320187
Energy: 0.4946030210828901
Energy: 0.49533055583093866
Energy: 0.7612290538316808
Energy: 0.4955768023791052
Energy: 0.49965141230215343
Energy: 0.4955768024557596
Energy: 0.6266570287850891
Energy: 0.49612033855370663
Energy: 0.5740215201453983
Energy: 0.4961203385488467
Energy: 0.5655356347291115
Energy: 0.49374317834270876
Energy: 0.5600578570178727
Energy: 0.4937431783453842
Energy: 0.6197073280345129
Energy: 0.49672918838380475
Energy: 0.5675675725343227
Energy: 0.4967291883843447
Energy: 0.5640681070416583
Energy: 0.5302653655964957
Energy: 0.5700816229437159
Energy: 0.5302653655991957
Energy: 0.5686356684042809
Energy: 0.4963463810431665
Energy: 0.573076838310119
Energy: 0.49634638104262646
Energy: 0.49794861255444883
Energy: 0.4936539135854838
Energy: 0.5723119230237571
Energy: 0.49365391358872374
Energy: 0.5677012501759852
Energy: 0.49450979793480115
Energy: 0.5642980278019852
Energy: 0.49450979792994115
Energy: 0.5054610379769181
Energy: 0.49754538368668794
Energy: 0.5674596655457946
Energy: 0.4975453836877679
Energy: 0.4942764657914018
Energy: 0.4943133885943093
Energy: 0.5725004240268561
Energy: 0.49431338859376944
Energy: 0.4953738559565418
Energy: 0.4966941239137334
Energy: 0.4960532421331571
Energy: 0.4966941239148135
Energy: 0.5649245065394566
Energy: 0.4951695103000547
Energy: 0.6215782365511636
Energy: 0.49516951030329465
Energy: 0.5591835817161694
Energy: 0.5241541424590042
Energy: 0.5699337483758304
Energy: 0.5241541424622441
Energy: 0.5700347701251597
Energy: 0.5271411055724822
Energy: 0.6203397614236635
Energy: 0.5271411055714023
Energy: 0.5622893050210117
Energy: 0.49662254010140133
Energy: 0.5699360138417806
Energy: 0.49662254010410134
Energy: 0.5558539752097272
Energy: 0.49561590188339133
Energy: 0.502477494172651
Energy: 0.4956159018844713
Energy: 0.566534633332331
Energy: 0.49412419635092497
Energy: 0.4945104896349396
Energy: 0.4941241963574049
Energy: 0.6154394580562721
Energy: 0.4946597405971604
Energy: 0.49656130220235833
Energy: 0.49465974059284057

minimum gb energy = 0.4936539135854838 eV
minimum distance =  2.67109217152677 Angstroms
sigma value = 37


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

Energy: 0.7393036993393902
Energy: 0.4689422571249992
Energy: 0.4689183714498977
Energy: 0.4695659930407189
Energy: 0.5238987750545167
Energy: 0.46906150568840627
Energy: 0.578974271119336
Energy: 0.46906150568840627
Energy: 0.6241840778775745
Energy: 0.5214254536611802
Energy: 0.5782220264420774
Energy: 0.5214254536621092
Energy: 0.6245877197316764
Energy: 0.514286561920614
Energy: 0.5790089950774461
Energy: 0.5142865619280462
Energy: 0.5618288950739188
Energy: 0.5217883365013173
Energy: 0.615338745452542
Energy: 0.5217883365013173
Energy: 0.5769118243089013
Energy: 0.46026965912535756
Energy: 0.511206293307482
Energy: 0.4602696591262866
Energy: 0.5093994237619273
Energy: 0.4590615946378516
Energy: 0.6730661653822102
Energy: 0.45906159463878066
Energy: 0.5212266353279041
Energy: 0.4527289777866002
Energy: 0.5162041484329447
Energy: 0.45272897778752924
Energy: 0.5118286705229428
Energy: 0.4556137396302118
Energy: 0.514079063282111
Energy: 0.45561373962930385
Energy: 0.5082483913947274
Energy: 0.45227849815222176
Energy: 0.4519228286797351
Energy: 0.45227849815315085
Energy: 0.5460129369414031
Energy: 0.5459611178863706
Energy: 0.6673328660634598
Energy: 0.5459611178872997
Energy: 0.6160502561909333
Energy: 0.4523547315027228
Energy: 0.45185179436221967
Energy: 0.4523547315036518
Energy: 0.6157755518041512
Energy: 0.5043100907457823
Energy: 0.6246084213815033
Energy: 0.5043100907448532
Energy: 0.621009643303296
Energy: 0.4524220385421916
Energy: 0.6244226801856542
Energy: 0.45242203852084484
Energy: 0.615338745452542
Energy: 0.5131217266908964
Energy: 0.5688687206657098
Energy: 0.5131217266918254
Energy: 0.5112062932461866
Energy: 0.512761777790249
Energy: 0.5789062949636713
Energy: 0.5127617777921071
Energy: 0.6720681340905719
Energy: 0.4681995448618919
Energy: 0.5100273441734672
Energy: 0.4681995448618919
Energy: 0.5162041480930643
Energy: 0.5156174695388374
Energy: 0.47569375871015135
Energy: 0.5156174695388374
Energy: 0.5140790631679024
Energy: 0.47034693088352886
Energy: 0.46856995626778886
Energy: 0.47034693088352886
Energy: 0.47034693088352886
Energy: 0.4693185174703192
Energy: 0.46894339352396475
Energy: 0.4693185174703192

minimum gb energy = 0.45185179436221967 eV
minimum distance =  2.66891568256822 Angstroms
sigma value = 25


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

Energy: 0.8264795224889984
Energy: 0.4202638281012947
Energy: 0.4206379942944796
Energy: 0.42074752452811437
Energy: 0.42074752452811437
Energy: 0.4178555314944944
Energy: 0.5020016230443006
Energy: 0.4178555314966708
Energy: 0.6203506600896006
Energy: 0.4175407017745902
Energy: 0.5007974501835541
Energy: 0.4175407017753156
Energy: 0.6174955652291638
Energy: 0.45681669956072923
Energy: 0.5047319562625744
Energy: 0.45681669956145465
Energy: 0.5881627744565137
Energy: 0.4957800341227346
Energy: 0.6077472497120823
Energy: 0.495780034122009
Energy: 0.6185657603219514
Energy: 0.4595814459044833
Energy: 0.6082398150476974
Energy: 0.45958144590303246
Energy: 0.6167815162000033
Energy: 0.41456697421526506
Energy: 0.5814858372095529
Energy: 0.41456697421961786
Energy: 0.49886554165702035
Energy: 0.41215555275286964
Energy: 0.62920152438114
Energy: 0.4121555527876751
Energy: 0.5040075466653235
Energy: 0.4138266262591008
Energy: 0.5713606136346003
Energy: 0.4138266262591008
Energy: 0.5060265687604497
Energy: 0.41428411099222967
Energy: 0.5811745755467345
Energy: 0.41428411099368057
Energy: 0.4509590913890382
Energy: 0.41282259390072795
Energy: 0.7173994748593249
Energy: 0.41282258196353916
Energy: 0.45524662088308065
Energy: 0.4147100018349692
Energy: 0.5809653503303599
Energy: 0.4147100018349692
Energy: 0.4543864627523233
Energy: 0.41101265729345426
Energy: 0.5875737401017547
Energy: 0.4110126572927288
Energy: 0.4656815636381808
Energy: 0.40934410516356223
Energy: 0.579140313465452
Energy: 0.40934410516356223
Energy: 0.5328090987656076
Energy: 0.40954906090444215
Energy: 0.5823937058800921
Energy: 0.40954906090516763
Energy: 0.5348241739494131
Energy: 0.40982972189703915
Energy: 0.5500818236839934
Energy: 0.4098297218948628
Energy: 0.5883904247582792
Energy: 0.41060949054053986
Energy: 0.5508171438615652
Energy: 0.41060949053908896
Energy: 0.5294154712268812
Energy: 0.4587281505176559
Energy: 0.582089116322366
Energy: 0.4587281505169305
Energy: 0.5887991946862032
Energy: 0.4566471624637826
Energy: 0.6178508951085722
Energy: 0.4566471624637826
Energy: 0.5867182295161447
Energy: 0.45816976970998413
Energy: 0.6182161681868189
Energy: 0.45816976970998413
Energy: 0.7184612265660184
Energy: 0.4195412990417805
Energy: 0.5012562492325834
Energy: 0.419541299041055
Energy: 0.6608873691398984
Energy: 0.41718160837938495
Energy: 0.45116156607201713
Energy: 0.417181608377934
Energy: 0.6301945576527838
Energy: 0.4188740505226053
Energy: 0.5058396926163297
Energy: 0.4188740505218798
Energy: 0.6275841357298652
Energy: 0.4186531784306534
Energy: 0.4200842840288755
Energy: 0.41865317842847705
Energy: 0.5881359882589
Energy: 0.41729651706856674
Energy: 0.4183572000140441
Energy: 0.41729651706856674
Energy: 0.6151668713327939
Energy: 0.4227543819705434
Energy: 0.4181412685517393
Energy: 0.42275438197199433

minimum gb energy = 0.40934410516356223 eV
minimum distance =  2.6720998614375 Angstroms
sigma value = 41


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

Energy: 0.8307235956874287
Energy: 0.383280961970748
Energy: 0.5228268234892831
Energy: 0.37878693401220015