Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0469995588064185
cohesive_energy=3.357264043064316
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: 0.01036301096071181
Energy: 0.010862933413016893
Energy: 0.362699094009417
Energy: 0.010862933412544238
Energy: 0.010862933413016893
Energy: 0.08444533365600755
Energy: 0.010862933413016893
Energy: 0.08444533365600755
Energy: 0.3626990940098897
Energy: 0.010862933412544238
Energy: 0.01036301096071181
Energy: 0.010862933413016893
Energy: 0.010862933413016893
Energy: 0.08444533365600755
Energy: 0.010862933413016893
Energy: 0.08444533365600755

minimum gb energy = 0.01036301096071181 eV
minimum distance =  2.6568722630096 Angstroms
sigma value = 1


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

Energy: 0.41013550666307336
Energy: 0.3700611233514878
Energy: 0.48339461178962495
Energy: 0.3700611233514878
Energy: 0.40978456111156536
Energy: 0.3776440621214488
Energy: 0.4043643383148029
Energy: 0.3776440621214488
Energy: 0.4036781494627781
Energy: 0.3752875493556392
Energy: 0.39311869350419076
Energy: 0.3752875493550322
Energy: 0.3934815911247875
Energy: 0.4036188086713866
Energy: 0.41055662285289724
Energy: 0.4036188086713866
Energy: 0.3920852779008604
Energy: 0.3812940637754844
Energy: 0.4317113075583539
Energy: 0.3812940637754844
Energy: 0.4145224458150457
Energy: 0.4091724740665581
Energy: 0.3901363526752918
Energy: 0.4091724740665581
Energy: 0.44025354813989614
Energy: 0.39370328016674705
Energy: 0.41557678180917135
Energy: 0.39370328016674705
Energy: 0.42011601305619334
Energy: 0.38605403674285144
Energy: 0.3823988241617284
Energy: 0.38605403674285144
Energy: 0.40470413481652795
Energy: 0.46062625575413124
Energy: 0.4189497322414974
Energy: 0.4606262557553451
Energy: 0.38110303796748884
Energy: 0.35610973784763167
Energy: 0.41815029145161
Energy: 0.3561097378470247
Energy: 0.4275557733767232
Energy: 0.37690779595624535
Energy: 0.40439841403135934
Energy: 0.3769077959556384
Energy: 0.3777611598938886
Energy: 0.37590347885833286
Energy: 0.38988250838799676
Energy: 0.37590347885833286
Energy: 0.40419999232853315
Energy: 0.3796923781357347
Energy: 0.43487851820475
Energy: 0.37969237813634166
Energy: 0.3949951868823399
Energy: 0.3812038550820841
Energy: 0.39126510864408937
Energy: 0.3812038550820841
Energy: 0.4019804677718809
Energy: 0.402240106010691
Energy: 0.43046878961141466
Energy: 0.402240106010691
Energy: 0.4008711891544302
Energy: 0.4004385078527059
Energy: 0.41917770830698325
Energy: 0.4004385078527059
Energy: 0.39294454219838365
Energy: 0.3754288952311413
Energy: 0.41093211493702153
Energy: 0.3754288952311413
Energy: 0.4041969780483775
Energy: 0.37865952740145764
Energy: 0.4327429239178946
Energy: 0.37865952740145764
Energy: 0.4157603859300718
Energy: 0.37522610545039176
Energy: 0.3932024718161111
Energy: 0.37522610545039176
Energy: 0.4291507937890458
Energy: 0.45205347086718733
Energy: 0.40493223659040106
Energy: 0.45205347086718733
Energy: 0.3816783254870965
Energy: 0.3632798472925807
Energy: 0.42110021555236643
Energy: 0.3632798472919738
Energy: 0.4105999576202599
Energy: 0.42545987332015806
Energy: 0.4184655218482046
Energy: 0.42545987332015806
Energy: 0.4079260033407972
Energy: 0.38352625178176636
Energy: 0.40589951531803764
Energy: 0.38352625178176636
Energy: 0.41419412539506173
Energy: 0.3824072864871923
Energy: 0.4144307840336558
Energy: 0.3824072864871923
Energy: 0.41559663223165655
Energy: 0.4163100028051123
Energy: 0.42191393200833854
Energy: 0.4163100028051123
Energy: 0.38712323626955136
Energy: 0.3876221905564242
Energy: 0.4121455204156589
Energy: 0.3876221905564242
Energy: 0.4041213640732043
Energy: 0.40430700808421877
Energy: 0.4047651649031567
Energy: 0.40430700808421877
Energy: 0.47191261868788464
Energy: 0.3595436647970906
Energy: 0.39233779925102313
Energy: 0.3595436647976976
Energy: 0.40992494331894774
Energy: 0.37728462326777645
Energy: 0.407611709642
Energy: 0.37728462326777645
Energy: 0.40735285860422815
Energy: 0.37742964564055986
Energy: 0.37906190566230835
Energy: 0.37742964564055986
Energy: 0.4108612778320643
Energy: 0.38883042193981493
Energy: 0.4041234522080633
Energy: 0.388830421939208
Energy: 0.39486773906460276
Energy: 0.3859895865191935
Energy: 0.3949815415124909
Energy: 0.3859895865191935
Energy: 0.3920263247202846
Energy: 0.40027264096513265
Energy: 0.4112920004494246
Energy: 0.4002726409645257

minimum gb energy = 0.3561097378470247 eV
minimum distance =  2.49326497463719 Angstroms
sigma value = 1


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

Energy: 0.41856209145796414
Energy: 0.38787891399540203
Energy: 0.49998528116812146
Energy: 0.38787891399540203
Energy: 0.40961785707990495
Energy: 0.3972688042153758
Energy: 0.4156365117985875
Energy: 0.3972688042146838
Energy: 0.42175105301946225
Energy: 0.4045243645148135
Energy: 0.4038445859226917
Energy: 0.40452436451550555
Energy: 0.4022975704656356
Energy: 0.42305434075266335
Energy: 0.43148879768185106
Energy: 0.4230543407533554
Energy: 0.4023481091502521
Energy: 0.39011118321541005
Energy: 0.4313680031915973
Energy: 0.39011118321541005
Energy: 0.3948229008096799
Energy: 0.3822587409900264
Energy: 0.4098824116689618
Energy: 0.38225874099071844
Energy: 0.431288185072047
Energy: 0.43417130800075726
Energy: 0.4136382021647754
Energy: 0.4341713080014493
Energy: 0.4216979962961605
Energy: 0.4044390074567204
Energy: 0.39833231801246644
Energy: 0.4044390074560284
Energy: 0.40917415573256244
Energy: 0.4730126171305996
Energy: 0.4361961386331977
Energy: 0.4730126171243713
Energy: 0.39341496293845746
Energy: 0.39686987199957396
Energy: 0.49817898962174356
Energy: 0.39686987199888196
Energy: 0.4154757144803874
Energy: 0.4000645205687625
Energy: 0.4225680000988537
Energy: 0.4000645205694545
Energy: 0.4155411478341831
Energy: 0.3936814877031283
Energy: 0.40393765976573826
Energy: 0.3936814877031283
Energy: 0.4206019836260325
Energy: 0.4134115539956488
Energy: 0.3983660406341328
Energy: 0.4134115539956488
Energy: 0.42058248648306307
Energy: 0.4134106875713906
Energy: 0.4025665305740341
Energy: 0.41341068757208266
Energy: 0.41555730102196087
Energy: 0.39365393465767967
Energy: 0.4085546744425991
Energy: 0.39365393465837173
Energy: 0.4156852456992984
Energy: 0.39998380660630123
Energy: 0.413586943767512
Energy: 0.39998380660630123
Energy: 0.39345313716054836
Energy: 0.3968914851262336
Energy: 0.4188342245185791
Energy: 0.3968914851255416
Energy: 0.4091732657296333
Energy: 0.47346256470052095
Energy: 0.43586343502931113
Energy: 0.47346256469913683
Energy: 0.42162787123258044
Energy: 0.4047325561871664
Energy: 0.3865353249687681
Energy: 0.40473255618924253
Energy: 0.4315187986225043
Energy: 0.43418980093446696
Energy: 0.4195982813351808
Energy: 0.43418980093446696
Energy: 0.39500381286702957
Energy: 0.382243377817794
Energy: 0.3914548414317861
Energy: 0.382243377817794
Energy: 0.4022529967552954
Energy: 0.39006288011069573
Energy: 0.4161877276013175
Energy: 0.39006288011069573
Energy: 0.40235063885339345
Energy: 0.423010852671796
Energy: 0.41373734976746934
Energy: 0.42301085267248806
Energy: 0.4216845397635325
Energy: 0.40458139179983205
Energy: 0.41153953423239653
Energy: 0.40458139179914004
Energy: 0.40961851438561514
Energy: 0.397267272902745
Energy: 0.41555972954324877
Energy: 0.39726727290136093
Energy: 0.41856209145865614
Energy: 0.38787891399540203
Energy: 0.49227671334670564
Energy: 0.38787891399540203
Energy: 0.4096178570792129
Energy: 0.3972688042153758
Energy: 0.4156365117985875
Energy: 0.3972688042146838
Energy: 0.4217510530201543
Energy: 0.4045243645161976
Energy: 0.4038445859226917
Energy: 0.4045243645148135
Energy: 0.4022975704656356
Energy: 0.42305434075266335
Energy: 0.4194231627160514
Energy: 0.4230543407533554

minimum gb energy = 0.382243377817794 eV
minimum distance =  2.48383718776496 Angstroms
sigma value = 25


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

Energy: 0.428982312506993
Energy: 0.3945447812603269
Energy: 0.5430412666830315
Energy: 0.3945447812603269
Energy: 0.4257464592167607
Energy: 0.4217287023047652
Energy: 0.4056370068196907
Energy: 0.4217287023047652
Energy: 0.4233732635581079
Energy: 0.4263629435444209
Energy: 0.39983979299838224
Energy: 0.42636294354361637
Energy: 0.40502947081379315
Energy: 0.4326018981976632
Energy: 0.43381598899989404
Energy: 0.4326018981976632
Energy: 0.43791442878294706
Energy: 0.40186142253817025
Energy: 0.44762414695670955
Energy: 0.40186142253897467
Energy: 0.5106856577397643
Energy: 0.42554347818101756
Energy: 0.44246868630647884
Energy: 0.42554347818182203
Energy: 0.43582452412923456
Energy: 0.46608097233298407
Energy: 0.4491658996992008
Energy: 0.466080972581454
Energy: 0.3853108696764007
Energy: 0.38734250216062416
Energy: 0.4290464284066414
Energy: 0.38734250216062416
Energy: 0.44883912174821416
Energy: 0.4090855937895575
Energy: 0.42364308139544377
Energy: 0.4090855937895575
Energy: 0.3991324459237125
Energy: 0.4241454187000169
Energy: 0.4195365882951262
Energy: 0.4241454187000169
Energy: 0.40953745670309016
Energy: 0.41633250859417165
Energy: 0.4376974985163855
Energy: 0.4163325085949761
Energy: 0.43577472137414547
Energy: 0.4100410264649191
Energy: 0.4337227192604714
Energy: 0.4100410264649191
Energy: 0.4000206272337102
Energy: 0.423083498031028
Energy: 0.41960503912908
Energy: 0.4230834980318324
Energy: 0.44997736802737215
Energy: 0.428634114255889
Energy: 0.4173057649739992
Energy: 0.428634114255889
Energy: 0.4223854558467516
Energy: 0.38232041874944117
Energy: 0.427984297210337
Energy: 0.38232041874944117
Energy: 0.43089532773686606
Energy: 0.4753483296183041
Energy: 0.42978036938342257
Energy: 0.4753483299487929
Energy: 0.42545567341492657
Energy: 0.4279036176233054
Energy: 0.42179513445236727
Energy: 0.4279036176233054
Energy: 0.436861196326357
Energy: 0.41182799951227633
Energy: 0.40899025649657494
Energy: 0.41182799951227633
Energy: 0.39227985752400724
Energy: 0.4235205410641752
Energy: 0.4323304162406044
Energy: 0.4235205410641752
Energy: 0.418119819295933
Energy: 0.42458962324599975
Energy: 0.4107630622026031
Energy: 0.42458962324599975
Energy: 0.41906774955626624
Energy: 0.41514796741220417
Energy: 0.40341101970513654
Energy: 0.41514796741220417
Energy: 0.423216565843753
Energy: 0.38794825500635405
Energy: 0.39030385200471446
Energy: 0.3879482550055496
Energy: 0.42656773773973455
Energy: 0.4158489169768715
Energy: 0.4154555377848121
Energy: 0.4158489169768715
Energy: 0.5109331908200937
Energy: 0.4143802799770019
Energy: 0.3991316217118705
Energy: 0.41438027997619736
Energy: 0.4265841090194555
Energy: 0.4994321273974756
Energy: 0.4290533193686367
Energy: 0.4994321273966712

minimum gb energy = 0.38232041874944117 eV
minimum distance =  2.50004115494288 Angstroms
sigma value = 9


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

Energy: 0.4202138345866242
Energy: 0.433367663456492
Energy: 0.5967021187765815
Energy: 0.433367663456492
Energy: 0.44307148676097396
Energy: 0.41874782641890423
Energy: 0.4042723153635815
Energy: 0.4187478264198639
Energy: 0.4255712291962751
Energy: 0.4125532596392547
Energy: 0.3974588256818635
Energy: 0.4125532596392547
Energy: 0.4219697158102653
Energy: 0.45288649647646556
Energy: 0.44324875080239234
Energy: 0.45288649647550583
Energy: 0.41223600683814343
Energy: 0.39860935218386595
Energy: 0.45636907206742133
Energy: 0.3986093521829063
Energy: 0.42263093805422847
Energy: 0.42018614111079455
Energy: 0.5353514426234404
Energy: 0.42018614111175423
Energy: 0.4071611041094771
Energy: 0.47744918393622565
Energy: 0.44306047904393536
Energy: 0.47744918384795804
Energy: 0.5270809492915212
Energy: 0.4000685858246845
Energy: 0.428203040445246
Energy: 0.4000685858246845
Energy: 0.4121749423566926
Energy: 0.41859549532364976
Energy: 0.3891257457518617
Energy: 0.41859549532460943
Energy: 0.41198539614219515
Energy: 0.41743701867157007
Energy: 0.45055524288460697
Energy: 0.41743701867157007
Energy: 0.42727364534194556
Energy: 0.39097043220820643
Energy: 0.410004492177242
Energy: 0.39097043220820643
Energy: 0.3977001722308053
Energy: 0.4167585251277487
Energy: 0.4433377401941476
Energy: 0.41675852512868655
Energy: 0.4119454972785555
Energy: 0.4214883330225487
Energy: 0.3990773641427436
Energy: 0.42148833302350835
Energy: 0.4790784034837952
Energy: 0.4840387038903081
Energy: 0.37487007731593186
Energy: 0.4840387038903081
Energy: 0.4119702336837648
Energy: 0.42129475814385486
Energy: 0.5180246513285747
Energy: 0.42129475814385486
Energy: 0.39763775255676287
Energy: 0.4174280622367519
Energy: 0.4433786045051711
Energy: 0.41742806223579226
Energy: 0.4272679877222193
Energy: 0.3909707216058438
Energy: 0.39749748317348443
Energy: 0.3909707216058438
Energy: 0.412095996852462
Energy: 0.4173187725881814
Energy: 0.4506619528035278
Energy: 0.4173187725881814
Energy: 0.4122737280824062
Energy: 0.4184963024935708
Energy: 0.3892286631739707
Energy: 0.4184963024935708
Energy: 0.5268921694032318
Energy: 0.3994647822226659
Energy: 0.42816741430510746
Energy: 0.3994647822236257
Energy: 0.407118298396604
Energy: 0.47719803043479136
Energy: 0.4430836773041101
Energy: 0.477198030427114

minimum gb energy = 0.37487007731593186 eV
minimum distance =  2.51894829535417 Angstroms
sigma value = 25


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

Energy: 0.41538534051592596
Energy: 0.4238807634825689
Energy: 0.44089355053402557
Energy: 0.4238807634825689
Energy: 0.3994977350028927
Energy: 0.445630719018361
Energy: 0.3892690382593447
Energy: 0.445630719018361
Energy: 0.40448156173181227
Energy: 0.44956817598507137
Energy: 0.38959314960980945
Energy: 0.4495681759838846
Energy: 0.42502355432672245
Energy: 0.43675338268306535
Energy: 0.5448480619928673
Energy: 0.43675338268306535
Energy: 0.4261359655795512
Energy: 0.4808816205000162
Energy: 0.48272459508323434
Energy: 0.4808816205000162
Energy: 0.39141447489063264
Energy: 0.44772336079944514
Energy: 0.5441526970070317
Energy: 0.44772336079944514
Energy: 0.4414218687318104
Energy: 0.43862366785011486
Energy: 0.4033556156260191
Energy: 0.4386236678489281
Energy: 0.4125314569508206
Energy: 0.42557511710216944
Energy: 0.4178785345014777
Energy: 0.42557511710216944
Energy: 0.3903045353063985
Energy: 0.4471782289594707
Energy: 0.4002886627280883
Energy: 0.4471782289594707
Energy: 0.5734117276323055
Energy: 0.46638280123026976
Energy: 0.403454598901866
Energy: 0.46638280123026976
Energy: 0.40157806916703026
Energy: 0.4149664735744601
Energy: 0.41103692814428094
Energy: 0.4149664735744601
Energy: 0.4036681379973703
Energy: 0.5470115497876606
Energy: 0.42487552521921035
Energy: 0.5470115498113969
Energy: 0.5209156172332464
Energy: 0.43088574592653767
Energy: 0.38881717593760523
Energy: 0.43088574592653767
Energy: 0.42739443182823605
Energy: 0.4418148053904984
Energy: 0.4250343086126645
Energy: 0.4418148053904984
Energy: 0.4365849158526182
Energy: 0.42043095619016874
Energy: 0.41119280184699253
Energy: 0.42043095619016874
Energy: 0.4223385174527023
Energy: 0.4663517001089222
Energy: 0.39159323987770306
Energy: 0.4663517001089222
Energy: 0.4029120891939673
Energy: 0.40885496385710113
Energy: 0.4450320340701966
Energy: 0.4088549638559143

minimum gb energy = 0.38881717593760523 eV
minimum distance =  2.47923535356276 Angstroms
sigma value = 17


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

Energy: 0.4305584401786963
Energy: 0.48105363837633974
Energy: 0.5618909036100105
Energy: 0.4810536383756676
Energy: 0.39495407300457935
Energy: 0.49325613109162525
Energy: 0.4179706061078407
Energy: 0.4932561310922974
Energy: 0.4064826151610216
Energy: 0.4722795420880213
Energy: 0.390759849096113
Energy: 0.4722795420873492
Energy: 0.42433175308735815
Energy: 0.4531200837085966
Energy: 0.4722180318816501
Energy: 0.4531200837085966
Energy: 0.42194651692652413
Energy: 0.5090449996234622
Energy: 0.44505792740897776
Energy: 0.5090449996234622
Energy: 0.39762216686276386
Energy: 0.4434071201942721
Energy: 0.5345102482298437
Energy: 0.44340712019494416
Energy: 0.4149421460258278
Energy: 0.46312188833276113
Energy: 0.4255496094479748
Energy: 0.46312188833276113
Energy: 0.4083483195911764
Energy: 0.46466410021089444
Energy: 0.4015938941223239
Energy: 0.46466410021156657
Energy: 0.4345996141112169
Energy: 0.4752987131841838
Energy: 0.5506041748717883
Energy: 0.4752987131841838
Energy: 0.5111772593160067
Energy: 0.5413019932191133
Energy: 0.4170221358319418
Energy: 0.5413019932204577
Energy: 0.38853722648492134
Energy: 0.47674966039084665
Energy: 0.5462454659843721
Energy: 0.47674966039084665
Energy: 0.4270914026676952
Energy: 0.45807795174107874
Energy: 0.4262069009161158
Energy: 0.45807795174175087
Energy: 0.47975216715065044
Energy: 0.4744770949376264
Energy: 0.42759721062134765
Energy: 0.4744770949376264
Energy: 0.39009860107778327
Energy: 0.4816757157691932
Energy: 0.46133316079674874
Energy: 0.4816757157691932
Energy: 0.48347833897091214
Energy: 0.4582741307411485
Energy: 0.4258965304738835
Energy: 0.45827413074182066
Energy: 0.44509147568445084
Energy: 0.446348998868325
Energy: 0.38680381287020815
Energy: 0.446348998868325
Energy: 0.4260182325135798
Energy: 0.4474288914988999
Energy: 0.4157443231838015
Energy: 0.4474288914982278
Energy: 0.5057620817004491
Energy: 0.4739430294336288
Energy: 0.39757945706410786
Energy: 0.4739430294336288
Energy: 0.43553415754841407
Energy: 0.442685718382936
Energy: 0.4669935533441606
Energy: 0.442685718382936
Energy: 0.43494746777281706
Energy: 0.47408780640037435
Energy: 0.41641943004790943
Energy: 0.47408780639903003
Energy: 0.44179466786640226
Energy: 0.44782987800958446
Energy: 0.3884124848683989
Energy: 0.44782987800958446
Energy: 0.41722951223944466
Energy: 0.5545903015276246
Energy: 0.41530086029450886
Energy: 0.5545903015276246
Energy: 0.5328750230889848
Energy: 0.4886044496596411
Energy: 0.3856652386198168
Energy: 0.4886044496596411
Energy: 0.44321175433575505
Energy: 0.46303409906641235
Energy: 0.4054263155516674
Energy: 0.46303409906641235
Energy: 0.44233069003000397
Energy: 0.47483136567725903
Energy: 0.40638930806143686
Energy: 0.4748313656765869
Energy: 0.5452943867231159
Energy: 0.4577921816105095
Energy: 0.38650819490351407
Energy: 0.4577921816105095
Energy: 0.46138272747787007
Energy: 0.503360227498534
Energy: 0.4436551633005886
Energy: 0.5033602274992062
Energy: 0.44170139021958266
Energy: 0.44444397669115104
Energy: 0.44187282917741005
Energy: 0.44444397669182323
Energy: 0.5063853333670627
Energy: 0.48930428389377795
Energy: 0.41496256370432316
Energy: 0.48930428389377795
Energy: 0.4147637565430259
Energy: 0.4340231255318456
Energy: 0.44664753598851226
Energy: 0.4340231255318456

minimum gb energy = 0.3856652386198168 eV
minimum distance =  2.41420020399628 Angstroms
sigma value = 53


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

Energy: 0.3277938771160215
Energy: 0.4924790516200739
Energy: 1.314674879330093
Energy: 0.4924790516200739
Energy: 0.37955868495761774
Energy: 0.44695437022144524
Energy: 0.40244910230128156
Energy: 0.44695437022144524
Energy: 0.36455782020921484
Energy: 0.42194094121701137
Energy: 0.40697305839370834
Energy: 0.42194094121701137
Energy: 0.3650750276750929
Energy: 0.4184801474082038
Energy: 0.40207218815226037
Energy: 0.4184801474082038
Energy: 0.37967457106578456
Energy: 0.4491980873733624
Energy: 0.3717063447753322
Energy: 0.4491980873749098
Energy: 0.3277938771160215
Energy: 0.4924790516200739
Energy: 0.5040024690592958
Energy: 0.4924790516200739
Energy: 0.37955868495761774
Energy: 0.44695437022144524
Energy: 0.357384051690613
Energy: 0.44695437022144524
Energy: 0.36455782020921484
Energy: 0.42194094121701137
Energy: 0.460048057287915
Energy: 0.42194094121701137
Energy: 0.3650750276735455
Energy: 0.4184801474082038
Energy: 0.3575382828407244
Energy: 0.4184801474082038
Energy: 0.37967457106578456
Energy: 0.4491980873733624
Energy: 0.43366715903360603
Energy: 0.4491980873749098
Energy: 0.3277938771160215
Energy: 0.4924790516200739
Energy: 0.5040024690608431
Energy: 0.4924790516200739
Energy: 0.37955868495761774
Energy: 0.44695437022144524
Energy: 0.35738405168906556
Energy: 0.44695437022144524
Energy: 0.36455782020921484
Energy: 0.42194094121701137
Energy: 0.460048057287915
Energy: 0.42194094121701137

minimum gb energy = 0.3277938771160215 eV
minimum distance =  2.47930532959668 Angstroms
sigma value = 9


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

Energy: 0.3898628760241296
Energy: 0.5485499439387261
Energy: 0.6275186766158419
Energy: 0.5485499439387261
Energy: 0.473464715676352
Energy: 0.42066569687007
Energy: 0.4016758554771407
Energy: 0.42066569687121547
Energy: 0.45728596176745556
Energy: 0.45962131514010973
Energy: 0.4215828453697614
Energy: 0.45962131514010973
Energy: 0.5163219219130443
Energy: 0.4622416404775671
Energy: 0.4217975190625381
Energy: 0.4622416404769944
Energy: 0.4307209788087034
Energy: 0.49287355024947455
Energy: 0.4061331971407692
Energy: 0.49287355024890184
Energy: 0.37965664077665157
Energy: 0.4757977926409484
Energy: 0.6078300993808174
Energy: 0.4757977926415211
Energy: 0.5188746500505532
Energy: 0.5352728876215925
Energy: 0.4169344401409614
Energy: 0.5352728876221392
Energy: 0.39847867333678527
Energy: 0.45284149673262714
Energy: 0.45880586929161465
Energy: 0.45284149673148166
Energy: 0.46519363484616494
Energy: 0.4636374061498522
Energy: 0.3963383919534449
Energy: 0.4636374061492795
Energy: 0.39414788225225306
Energy: 0.4171963636008101
Energy: 0.4028713166757994
Energy: 0.4171963636013828
Energy: 0.4040351084996309
Energy: 0.4621537536559539
Energy: 0.5289535257789933
Energy: 0.4621537536559539
Energy: 0.46670508568084895
Energy: 0.5239895041407331
Energy: 0.40922860937385025
Energy: 0.5239895041407331
Energy: 0.3988564743366011
Energy: 0.49660526582045866
Energy: 0.4971602144697608
Energy: 0.49660526581988595
Energy: 0.5124294270622306
Energy: 0.49415890316533934
Energy: 0.40854131837489593
Energy: 0.49415890316591204
Energy: 0.39169648815861374
Energy: 0.44943994828702893
Energy: 0.44421699451816576
Energy: 0.4494399482864562
Energy: 0.40144968207244014
Energy: 0.45165119981882035
Energy: 0.43647817117437904
Energy: 0.4516511998176749
Energy: 0.43273699732722914
Energy: 0.5016430442989581
Energy: 0.3918489571611598
Energy: 0.5016430442989581
Energy: 0.4188709882781361
Energy: 0.4767732433829725
Energy: 0.4996724553258287
Energy: 0.4767732433829725
Energy: 0.5923165534068718
Energy: 0.42702836095702845
Energy: 0.3811034101585339
Energy: 0.42702836095531027
Energy: 0.3995404698773428
Energy: 0.47696992474597427
Energy: 0.424354411937527
Energy: 0.476969924746547
Energy: 0.45688453572847865
Energy: 0.4539547523065617
Energy: 0.40991945960911236
Energy: 0.45395475230541626
Energy: 0.44061755897915866
Energy: 0.4279514713734935
Energy: 0.4128968667421871
Energy: 0.4279514713734935
Energy: 0.3998905245932565
Energy: 0.4279733434790775
Energy: 0.4544157169379993
Energy: 0.4279733434802229
Energy: 0.5333192656916506
Energy: 0.4403722134978891
Energy: 0.40272831669213316
Energy: 0.4403722134978891
Energy: 0.40121915693625787
Energy: 0.5233067658831797
Energy: 0.4944613362649164
Energy: 0.5233067658831797
Energy: 0.4486609773833894
Energy: 0.459047750542943
Energy: 0.4132346705712645
Energy: 0.4590477505423703
Energy: 0.4387689052985732
Energy: 0.4493839305736876
Energy: 0.4084429684002229
Energy: 0.4493839305736876
Energy: 0.41148682367495193
Energy: 0.4342333203478548
Energy: 0.5150420743686542
Energy: 0.4342333203484275
Energy: 0.44906569480837133
Energy: 0.3855297766015792
Energy: 0.41301635218866445
Energy: 0.3855297800197865
Energy: 0.3997223677512805
Energy: 0.5467321213905215
Energy: 0.5089466973925157
Energy: 0.5467321213905215
Energy: 0.5926407784017141
Energy: 0.4489891627376463
Energy: 0.41772660582757926
Energy: 0.44898916273707357
Energy: 0.40185487405428316
Energy: 0.49272284510071235
Energy: 0.45507379687640626
Energy: 0.49272284510071235
Energy: 0.4041617117981238
Energy: 0.433852893023443
Energy: 0.41439567177193876
Energy: 0.4338528930240157
Energy: 0.45829516663627423
Energy: 0.4525693456609951
Energy: 0.44194128725562876
Energy: 0.4525693456604224
Energy: 0.40028557123338987
Energy: 0.47872654707105705
Energy: 0.5195689318235769
Energy: 0.478726547073348

minimum gb energy = 0.37965664077665157 eV
minimum distance =  2.44062096256729 Angstroms
sigma value = 73


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

Energy: 0.41445514603880673
Energy: 0.40896630659224786
Energy: 0.6773517102622274
Energy: 0.40896630660769534
Energy: 0.48022032557206756
Energy: 0.4630122499457032
Energy: 0.39469756648997606
Energy: 0.4630122499447945
Energy: 0.4925609531326638
Energy: 0.4831221925116148
Energy: 0.4013165187266311
Energy: 0.4831221925107061
Energy: 0.39503290219485954
Energy: 0.44718082376952206
Energy: 0.408512397375838
Energy: 0.44718082376952206
Energy: 0.4088234720090103
Energy: 0.442642888322773
Energy: 0.40100399313756024
Energy: 0.442642888322773
Energy: 0.41488739888546733
Energy: 0.45843568529283113
Energy: 0.49032199416072125
Energy: 0.45843568529192247
Energy: 0.5022136810707711
Energy: 0.47460783360388903
Energy: 0.4248265715670836
Energy: 0.47460783360388903
Energy: 0.39905973664021827
Energy: 0.44683806035776064
Energy: 0.5156971005655322
Energy: 0.4468380603586693
Energy: 0.5149009079081859
Energy: 0.4839359597802592
Energy: 0.39216061403353164
Energy: 0.4839359597811679
Energy: 0.39248540233477947
Energy: 0.43464745601298
Energy: 0.3924534322732075
Energy: 0.43464745601207133
Energy: 0.3909044749393069
Energy: 0.45607754282310825
Energy: 0.49239044705070184
Energy: 0.45607754282219953
Energy: 0.44263540188542505
Energy: 0.4501938681585306
Energy: 0.41517187728777843
Energy: 0.4501938681585306
Energy: 0.41642524203396625
Energy: 0.43034921917267344
Energy: 0.5566385547381207
Energy: 0.43034921917267344
Energy: 0.5304467170761593
Energy: 0.5005434776756746
Energy: 0.4312041682605252
Energy: 0.5005434776747659
Energy: 0.3898197775659387
Energy: 0.4568880036802133
Energy: 0.4487032615146586
Energy: 0.4568880036802133
Energy: 0.5186759099690921
Energy: 0.4476206528388351
Energy: 0.4217716394742769
Energy: 0.44762065283974384
Energy: 0.41654187327426434
Energy: 0.5087235469221965
Energy: 0.4488038482418956
Energy: 0.5087235469221965
Energy: 0.42586775614871386
Energy: 0.4464408938385598
Energy: 0.5028675688205068
Energy: 0.4464408938385598
Energy: 0.3977540168228862
Energy: 0.555125788189445
Energy: 0.41995103550080576
Energy: 0.555125788189445
Energy: 0.3948802415543117
Energy: 0.5307306949477659
Energy: 0.47493393593994054
Energy: 0.5307306949477659
Energy: 0.5441308363671385
Energy: 0.455373707361229
Energy: 0.4019418016314603
Energy: 0.455373707361229
Energy: 0.4087099508844153
Energy: 0.42918258902300493
Energy: 0.5048596296317679
Energy: 0.42918258902300493

minimum gb energy = 0.3898197775659387 eV
minimum distance =  2.42356805801719 Angstroms
sigma value = 7


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

Energy: 0.39000677080576035
Energy: 0.5751504636438418
Energy: 0.6559709960513239
Energy: 0.5751504636419141
Energy: 0.5512927202620934
Energy: 0.4694202428653218
Energy: 0.39710886586803246
Energy: 0.4694202427426568
Energy: 0.4123109148085389
Energy: 0.4421077986019664
Energy: 0.40335294059842386
Energy: 0.4421077986019664
Energy: 0.4409564278851806
Energy: 0.4661348465230465
Energy: 0.3973160175599224
Energy: 0.466134846522404
Energy: 0.43294648247959955
Energy: 0.41685075860613763
Energy: 0.3948057230591946
Energy: 0.41685075860613763
Energy: 0.41019230008769453
Energy: 0.440153809858663
Energy: 0.49280048600834536
Energy: 0.440153809858663
Energy: 0.45103073252890796
Energy: 0.5310076909264975
Energy: 0.4012694022480787
Energy: 0.531007690925855
Energy: 0.4101043237642937
Energy: 0.39288212619155916
Energy: 0.5538229235778476
Energy: 0.3928821261934868
Energy: 0.5493621136716069
Energy: 0.41145507533671194
Energy: 0.3959122981408114
Energy: 0.411455075337997
Energy: 0.39298512088713794
Energy: 0.47082026005569516
Energy: 0.44347085665197195
Energy: 0.4708202600550526
Energy: 0.4052212397181046
Energy: 0.4864458789643629
Energy: 0.4059533916374179
Energy: 0.4864458789637204
Energy: 0.4003290387325168
Energy: 0.41742290999528314
Energy: 0.4406753424789392
Energy: 0.41742290999849574
Energy: 0.40375142156117255
Energy: 0.4001288371300318
Energy: 0.4577402258852868
Energy: 0.4001288371293893
Energy: 0.4048251127809574
Energy: 0.43715128706484574
Energy: 0.4338920071370838
Energy: 0.43715128706484574
Energy: 0.3907884683238376
Energy: 0.4876945158033303
Energy: 0.5584661694078077
Energy: 0.4876945158014027
Energy: 0.6962012499434121
Energy: 0.38408756276693934
Energy: 0.39073639613664746
Energy: 0.3840875627675819
Energy: 0.39067310296574287
Energy: 0.4179643226726362
Energy: 0.509926177425475
Energy: 0.4179643226713512
Energy: 0.40111636473839163
Energy: 0.4645025041913916
Energy: 0.4224763328826232
Energy: 0.46450250419267664
Energy: 0.3907249050927683
Energy: 0.4413136842496746
Energy: 0.4733911780204824
Energy: 0.44131368425031714
Energy: 0.3933844532224083
Energy: 0.4188693419669051
Energy: 0.43511952316898633
Energy: 0.41886934196754766
Energy: 0.4629578741547002
Energy: 0.4470880392611199
Energy: 0.39578069038509817
Energy: 0.4470880392604774
Energy: 0.40993394380623277
Energy: 0.4450079079127067
Energy: 0.442849940666801
Energy: 0.4450079079127067
Energy: 0.49711667713516905
Energy: 0.4189732316302145
Energy: 0.39860463776923055
Energy: 0.41897323162957195
Energy: 0.40033477136545187
Energy: 0.39071392159393614
Energy: 0.49887524079274614
Energy: 0.390713921592651
Energy: 0.4284544467039591
Energy: 0.4190697028937758
Energy: 0.3968852890757187
Energy: 0.4190697028944184
Energy: 0.42590175807957115
Energy: 0.44095630886008436
Energy: 0.4021949807171566
Energy: 0.440956308862012
Energy: 0.39174390023115857
Energy: 0.42737976032219793
Energy: 0.3958187119958004
Energy: 0.42737976032284053
Energy: 0.44862205027312524
Energy: 0.41724993557647133
Energy: 0.39719380915163505
Energy: 0.41724993557647133
Energy: 0.4030848804886827
Energy: 0.44315815742239095
Energy: 0.44772676954359925
Energy: 0.4431581574211059
Energy: 0.5107452715997546
Energy: 0.5018001751087916
Energy: 0.39718250833202534
Energy: 0.5018001751075065
Energy: 0.4029842934726735
Energy: 0.4426483817866318
Energy: 0.5962992493606184
Energy: 0.44264838178727434

minimum gb energy = 0.38408756276693934 eV
minimum distance =  2.41541523688536 Angstroms
sigma value = 29


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

Energy: 0.35226986055185733
Energy: 0.33035997060718175
Energy: 1.6619168045950685
Energy: 0.330359970606958
Energy: 0.3192363412095631
Energy: 0.3322942486217064
Energy: 0.3312413208448304
Energy: 0.3322942486337425
Energy: 0.3202978414044636
Energy: 0.3697925758168158
Energy: 0.5202362767547041
Energy: 0.36979257581703956
Energy: 0.4018144385007974
Energy: 0.319111086787304
Energy: 0.3312797787378595
Energy: 0.31911108678775163
Energy: 0.3525116583990014
Energy: 0.34283167508305257
Energy: 0.5226076523743302
Energy: 0.34283167508327644
Energy: 0.3303271392992595
Energy: 0.36558887558683906
Energy: 0.3302957540432608
Energy: 0.3655888755866152
Energy: 0.3194077391989527
Energy: 0.34258156787003347
Energy: 0.3524356779083773
Energy: 0.34258156786980964
Energy: 0.3312625254021748
Energy: 0.3189314195410019
Energy: 0.4018099541445667
Energy: 0.3189314195414247
Energy: 0.5200561114716757
Energy: 0.36597399955191606
Energy: 0.35373556961874153
Energy: 0.36597399955191606

minimum gb energy = 0.3189314195410019 eV
minimum distance =  2.46195834728006 Angstroms
sigma value = 5


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

Energy: 0.37008275066029717
Energy: 0.43976129970284433
Energy: 0.5983918237253881
Energy: 0.43976129970102346
Energy: 0.44576000528294146
Energy: 0.4899742826686522
Energy: 0.37810311730853485
Energy: 0.4899742826686522
Energy: 0.3553938211201278
Energy: 0.4394435024803123
Energy: 0.5473553532060371
Energy: 0.4394435024803123
Energy: 0.3788080417651995
Energy: 0.44662107774980453
Energy: 0.36268846283950973
Energy: 0.44662107774980453
Energy: 0.36014022931197887
Energy: 0.470481963699438
Energy: 0.4266691276253388
Energy: 0.470481963699438
Energy: 0.38942488180364215
Energy: 0.4579032665432053
Energy: 0.35454622550674203
Energy: 0.4579032665438122
Energy: 0.3549682755120521
Energy: 0.41876513209839217
Energy: 0.3498140626604408
Energy: 0.41876513209839217
Energy: 0.35372380940301273
Energy: 0.3966621072602704
Energy: 0.3738813462873595
Energy: 0.3966621072596635
Energy: 0.35990098081993943
Energy: 0.4512178901332734
Energy: 0.37670137547185695
Energy: 0.45121789013266644
Energy: 0.3580122330579933
Energy: 0.41407602339018224
Energy: 0.401153342352883
Energy: 0.41407602339018224
Energy: 0.3776622227428886
Energy: 0.47552777246026534
Energy: 0.3563197929245652
Energy: 0.47552777246026534
Energy: 0.3747639999177186
Energy: 0.4026468518662521
Energy: 0.43856399766842447
Energy: 0.4026468518662521
Energy: 0.4175303008173731
Energy: 0.41501297347217225
Energy: 0.39160703120292306
Energy: 0.4150129734715653
Energy: 0.3668836820870742
Energy: 0.4843827800493249
Energy: 0.42456312481449715
Energy: 0.48438278004871793
Energy: 0.46909758623729786
Energy: 0.4838645386540756
Energy: 0.3562127110093323
Energy: 0.4838645386540756
Energy: 0.3580788539290183
Energy: 0.45402818154018665
Energy: 0.38022393061789306
Energy: 0.45402818154018665
Energy: 0.5212249107781124
Energy: 0.46716391634874077
Energy: 0.3817396796012102
Energy: 0.46716391634874077
Energy: 0.3605191620537261
Energy: 0.4622167893573918
Energy: 0.4447006650854773
Energy: 0.4622167893573918
Energy: 0.4565200605230909
Energy: 0.4179969351258635
Energy: 0.3517872844327024
Energy: 0.4179969351258635
Energy: 0.35524687995138154
Energy: 0.4803553870692319
Energy: 0.37033750347645633
Energy: 0.48035538707044584
Energy: 0.3512154450304068
Energy: 0.49515649297437225
Energy: 0.35657925094902704
Energy: 0.4951564929755863
Energy: 0.38257959280012294
Energy: 0.4148770354027892
Energy: 0.35795485030859464
Energy: 0.4148770354027892
Energy: 0.3498642910103426
Energy: 0.4204764299546146
Energy: 0.35099391210733555
Energy: 0.42047642995522155
Energy: 0.39140060009846955
Energy: 0.44331086219016397
Energy: 0.37712750361778136
Energy: 0.44331086218895005
Energy: 0.3982287134252708
Energy: 0.4036375619935708
Energy: 0.3758223026292444
Energy: 0.4036375619935708
Energy: 0.37540082991229357
Energy: 0.48243675519521995
Energy: 0.36071847100873144
Energy: 0.4824367551958269
Energy: 0.3752378127250282
Energy: 0.4174391355979982
Energy: 0.4978693677789527
Energy: 0.4174391355979982
Energy: 0.40248796860078634
Energy: 0.4760492790528718
Energy: 0.3582736987269622
Energy: 0.47604927904862315
Energy: 0.3611628100032418
Energy: 0.4948279220226261
Energy: 0.43199096267245435
Energy: 0.4948279220220191
Energy: 0.4191772834494506
Energy: 0.46083868036163195
Energy: 0.3606906345481
Energy: 0.46083868036163195
Energy: 0.35440673069105394
Energy: 0.39243481846833955
Energy: 0.4433417667483299
Energy: 0.3924348184689189
Energy: 0.5224437675418339
Energy: 0.47156992513042295
Energy: 0.3562997583491662
Energy: 0.47156992513042295
Energy: 0.3599320545658439
Energy: 0.46818293882157497
Energy: 0.35409257739561717
Energy: 0.46818293882157497

minimum gb energy = 0.3498140626604408 eV
minimum distance =  2.42004011917078 Angstroms
sigma value = 1


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

Energy: 0.4186631575742919
Energy: 0.46782019851682244
Energy: 0.591157445934527
Energy: 0.4678201985185008
Energy: 0.42987933601168543
Energy: 0.4564859016238418
Energy: 0.35050838576858495
Energy: 0.4564859016238418
Energy: 0.34744941930475876
Energy: 0.47140082848524795
Energy: 0.4864470885038602
Energy: 0.47140082848524795
Energy: 0.4078710490100022
Energy: 0.44862239018059974
Energy: 0.3575960549497415
Energy: 0.44862239018059974
Energy: 0.3388483741513609
Energy: 0.4800752622920306
Energy: 0.4359738305943895
Energy: 0.4800752622920306
Energy: 0.32951969225222005
Energy: 0.48474200213206015
Energy: 0.3579470949670086
Energy: 0.48474200213038177
Energy: 0.34515278593169124
Energy: 0.4520887314257931
Energy: 0.4609760391286087
Energy: 0.4520887314257931
Energy: 0.3452128506391184
Energy: 0.4749793753682859
Energy: 0.3885349520016667
Energy: 0.4749793753674466
Energy: 0.3800475722531105
Energy: 0.4476898052776675
Energy: 0.3612820537550401
Energy: 0.4476898052768283
Energy: 0.3799559383830908
Energy: 0.43586199348144
Energy: 0.42421565666406796
Energy: 0.43586199348227916
Energy: 0.3449850210227654
Energy: 0.4586203437008261
Energy: 0.3611568939153271
Energy: 0.4586203436999869
Energy: 0.3451726504388561
Energy: 0.47693639044039626
Energy: 0.42997499287606306
Energy: 0.47693639044039626
Energy: 0.3296885523441003
Energy: 0.4884346656687492
Energy: 0.35811492333029493
Energy: 0.4884346656687492
Energy: 0.3332082894181476
Energy: 0.45918448565181935
Energy: 0.4316984649883007
Energy: 0.4591844856509802
Energy: 0.4922146415865618
Energy: 0.41809876115068484
Energy: 0.3582387826608208
Energy: 0.41809876115068484
Energy: 0.34710697625850473
Energy: 0.45623968038296076
Energy: 0.41673811236046493
Energy: 0.4562396803838
Energy: 0.45647933561336096
Energy: 0.490516134257
Energy: 0.34881269307156776
Energy: 0.490516134257
Energy: 0.4186631575751311
Energy: 0.4678201985159832
Energy: 0.5911574459353663
Energy: 0.4678201985176616
Energy: 0.42987933601168543
Energy: 0.4564859016238418
Energy: 0.3505083857677458
Energy: 0.4564859016238418
Energy: 0.34744941930475876
Energy: 0.47140082848524795
Energy: 0.4864470885038602
Energy: 0.47140082848524795
Energy: 0.4078710490100022
Energy: 0.4486223901797605
Energy: 0.3575960549497415
Energy: 0.44862239018059974
Energy: 0.3388483741513609
Energy: 0.4800752622920306
Energy: 0.4359738305927111
Energy: 0.4800752622920306
Energy: 0.32951969225305927
Energy: 0.4847420021328993
Energy: 0.3579470949670086
Energy: 0.4847420021328993
Energy: 0.34515278593085197
Energy: 0.4520887314257931
Energy: 0.4078058977057727
Energy: 0.4520887314257931

minimum gb energy = 0.32951969225222005 eV
minimum distance =  2.5021636890772 Angstroms
sigma value = 17


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

Energy: 0.3902952023762334
Energy: 0.4617241160866369
Energy: 0.6591296991396218
Energy: 0.4617241160866369
Energy: 0.5543676321774484
Energy: 0.45353611513774833
Energy: 0.3667351051069405
Energy: 0.45353611513722963
Energy: 0.36312567253599876
Energy: 0.48207602018333506
Energy: 0.5553616072833518
Energy: 0.4820760201838538
Energy: 0.47572551552664677
Energy: 0.4232833126376553
Energy: 0.36270653913099093
Energy: 0.4232833126381739
Energy: 0.3609460694714627
Energy: 0.46813226591832374
Energy: 0.4521852786112426
Energy: 0.46813226591884244
Energy: 0.3610909299115151
Energy: 0.47092923114144375
Energy: 0.36868490128760134
Energy: 0.47092923114611207
Energy: 0.37108027204227245
Energy: 0.4740429563834718
Energy: 0.4119853035530536
Energy: 0.4740429563834718
Energy: 0.35968925102722415
Energy: 0.4345625587836087
Energy: 0.36227470624242997
Energy: 0.43456255878205263
Energy: 0.39196857864199774
Energy: 0.43358094685927356
Energy: 0.39653499956708416
Energy: 0.43358094685927356
Energy: 0.38470235238571526
Energy: 0.47302090284755494
Energy: 0.36479034879736233
Energy: 0.47302090284755494
Energy: 0.36320783444175353
Energy: 0.4235345118821306
Energy: 0.3632186027959299
Energy: 0.4235345118821306
Energy: 0.3654467734206054
Energy: 0.4410949381995716
Energy: 0.35538613893113286
Energy: 0.4410949381995716
Energy: 0.3595649334565553
Energy: 0.46896153561079973
Energy: 0.3704587985415786
Energy: 0.46896153561131837
Energy: 0.3700236917876175
Energy: 0.4791994861134688
Energy: 0.3914052128309682
Energy: 0.47919948611295005
Energy: 0.3708727058116019
Energy: 0.4645578463844026
Energy: 0.3957732755632732
Energy: 0.46455784638544
Energy: 0.3629176071256967
Energy: 0.44315439372608884
Energy: 0.445339762451109
Energy: 0.44315439372608884
Energy: 0.4952432096974577
Energy: 0.42625130419360185
Energy: 0.3660760628843823
Energy: 0.42625130419360185
Energy: 0.3597165107206824
Energy: 0.45006493275287396
Energy: 0.4876033625999415
Energy: 0.45006493275339265
Energy: 0.4288943986393149
Energy: 0.49713170631492526
Energy: 0.3658799631191083
Energy: 0.4971317063170001
Energy: 0.3659488251018563
Energy: 0.46389358702128325
Energy: 0.5243351726661933
Energy: 0.4638935870218019
Energy: 0.5022414808413704
Energy: 0.44864423511819607
Energy: 0.3730453260360193
Energy: 0.44864423511819607
Energy: 0.37333279082444604
Energy: 0.48593916160448736
Energy: 0.532128913903465
Energy: 0.4859391616029313
Energy: 0.4842229525287975
Energy: 0.42994768757534707
Energy: 0.36702223919270505
Energy: 0.4299476875758657
Energy: 0.3674251535661154
Energy: 0.46126606133980136
Energy: 0.43840583852984816
Energy: 0.46126606133980136
Energy: 0.4598701038733525
Energy: 0.45158399097184104
Energy: 0.36096139468281513
Energy: 0.45158399097235974
Energy: 0.37147037179469183
Energy: 0.43893364107242605
Energy: 0.4936423316180524
Energy: 0.43893364107242605
Energy: 0.42395490880716286
Energy: 0.5164071021925255
Energy: 0.3637657079579815
Energy: 0.5164071021925255
Energy: 0.397646550485632
Energy: 0.46317011055280427
Energy: 0.3718703757684162
Energy: 0.46317011055384166
Energy: 0.3909780504942918
Energy: 0.4789980405504332
Energy: 0.37116590579141706
Energy: 0.4789980405493958
Energy: 0.3718371098569228
Energy: 0.4739918413880174
Energy: 0.4098460439146351
Energy: 0.4739918413885361
Energy: 0.3632567858021386
Energy: 0.46417713107463754
Energy: 0.36751859864497366
Energy: 0.4641771310741189
Energy: 0.3700902443863101
Energy: 0.4848594355834761
Energy: 0.36054954292885094
Energy: 0.4848594355834761
Energy: 0.3641311236082523
Energy: 0.46942134809620023
Energy: 0.44000702078472065
Energy: 0.469421348096719
Energy: 0.4193591207231327
Energy: 0.4333208489289617
Energy: 0.37380147103967337
Energy: 0.4333208489289617
Energy: 0.361295988632265
Energy: 0.4765987968866249
Energy: 0.45835105257614694
Energy: 0.4765987968861061
Energy: 0.4169699123869234
Energy: 0.48230529937920097
Energy: 0.37636874362688666
Energy: 0.48230529937920097
Energy: 0.36705371764940137
Energy: 0.4832008714231539
Energy: 0.3624641168653001
Energy: 0.4832008714231539
Energy: 0.4476056005714085
Energy: 0.4670550955868244
Energy: 0.37327881277502273
Energy: 0.46705509558734315

minimum gb energy = 0.35538613893113286 eV
minimum distance =  2.46084751551161 Angstroms
sigma value = 89


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

Energy: 0.34110723850033525
Energy: 0.40307812531690546
Energy: 0.6090370939696872
Energy: 0.40307812531690546
Energy: 0.37823864795862483
Energy: 0.3897590702976864
Energy: 0.3518621854072026
Energy: 0.3897590702976864
Energy: 0.3500626321775891
Energy: 0.4603565484339815
Energy: 0.5593878240036995
Energy: 0.4603565484339815
Energy: 0.3629879502413148
Energy: 0.390183911519931
Energy: 0.35184312717370964
Energy: 0.390183911519931
Energy: 0.3504522881327539
Energy: 0.4215354344685076
Energy: 0.5731906293021046
Energy: 0.4215354344685076
Energy: 0.3505661157018131
Energy: 0.379061770586949
Energy: 0.3443018084989573
Energy: 0.379061770586949
Energy: 0.3500997975454568
Energy: 0.4095607687757807
Energy: 0.3503774347730841
Energy: 0.4095607687757807
Energy: 0.5032827606182262
Energy: 0.4603425056886868
Energy: 0.3517770811217609
Energy: 0.460342505690044
Energy: 0.3503397744444775
Energy: 0.4004128125148304
Energy: 0.4766447386625169
Energy: 0.4004128125148304
Energy: 0.37585049149127703
Energy: 0.42213927535153495
Energy: 0.34394338409107617
Energy: 0.42213927535153495
Energy: 0.3414114614288979
Energy: 0.3894843896541232
Energy: 0.35046069022386445
Energy: 0.3894843896554803
Energy: 0.3416716779808581
Energy: 0.4162876852970368
Energy: 0.35192699692711454
Energy: 0.4162876852970368
Energy: 0.3421127875876209
Energy: 0.44614271162223423
Energy: 0.34432659232691476
Energy: 0.44614271162223423
Energy: 0.3440919454161273
Energy: 0.40015189499829495
Energy: 0.343939960893208
Energy: 0.40015189499829495
Energy: 0.3529363867787182
Energy: 0.4457809999885578
Energy: 0.34211251814635446
Energy: 0.4457809999885578

minimum gb energy = 0.34110723850033525 eV
minimum distance =  2.54293336224853 Angstroms
sigma value = 13


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

Energy: 0.37018697557553915
Energy: 0.42501065930976206
Energy: 0.5966716835118125
Energy: 0.42501065930748666
Energy: 0.5377268106562226
Energy: 0.42278011472907484
Energy: 0.35410908845458133
Energy: 0.42278011472793714
Energy: 0.35342994471167766
Energy: 0.41534221613757444
Energy: 0.569020662206817
Energy: 0.4153422161370056
Energy: 0.4580912257596844
Energy: 0.42826011363678196
Energy: 0.3508582142337008
Energy: 0.42826011363678196
Energy: 0.3574274620806333
Energy: 0.4460054668522685
Energy: 0.5007111294423326
Energy: 0.4460054668522685
Energy: 0.4501231385566946
Energy: 0.3983934614537354
Energy: 0.3633213506203326
Energy: 0.3983934614543042
Energy: 0.3579351250329071
Energy: 0.4422727506517462
Energy: 0.49541552084154
Energy: 0.4422727506528839
Energy: 0.42847880073824846
Energy: 0.44716387294821974
Energy: 0.36324349339233325
Energy: 0.44716387294821974
Energy: 0.35757772147099526
Energy: 0.4183816916260688
Energy: 0.3930324631426319
Energy: 0.4183816916260688
Energy: 0.4602077559226863
Energy: 0.4556719133683372
Energy: 0.350774125286597
Energy: 0.45567191336719953
Energy: 0.3575335408558044
Energy: 0.40451524380414766
Energy: 0.37878374578865165
Energy: 0.40451524380300996
Energy: 0.4863062082586974
Energy: 0.433328866939658
Energy: 0.3594979505962069
Energy: 0.43332886694079564
Energy: 0.3774738345267551
Energy: 0.41780307348519274
Energy: 0.3762350798727363
Energy: 0.4178030734846239
Energy: 0.43670408636748664
Energy: 0.4266669784502809
Energy: 0.35957582732740906
Energy: 0.4266669784502809
Energy: 0.35744833964966993
Energy: 0.42172279932380585
Energy: 0.36216420850186304
Energy: 0.42172279932153056
Energy: 0.35910248092623187
Energy: 0.4306068240254425
Energy: 0.3598285127918479
Energy: 0.430606824027149
Energy: 0.3666245318658432
Energy: 0.45486555354903196
Energy: 0.3527067198263894
Energy: 0.4548655535496008
Energy: 0.3728616891621367
Energy: 0.4160060637765846
Energy: 0.3624085696843197
Energy: 0.4160060637760158
Energy: 0.366161542223836
Energy: 0.42416667400684727
Energy: 0.3625306420301053
Energy: 0.42416667400741614
Energy: 0.3661108196231422
Energy: 0.42108486945026213
Energy: 0.3622903365700992
Energy: 0.42108486944912443
Energy: 0.3728335871013031
Energy: 0.41637522017520573
Energy: 0.36232075940450503
Energy: 0.41637522017577455
Energy: 0.36660273023816137
Energy: 0.45491452732186755
Energy: 0.35292129468095357
Energy: 0.45491452732300525
Energy: 0.3590078681904404
Energy: 0.43022585187794765
Energy: 0.3597534696363489
Energy: 0.4302258518785165
Energy: 0.35839490102643284
Energy: 0.42168815455987463
Energy: 0.3762640822791903
Energy: 0.42168815456044345
Energy: 0.43668224113068815
Energy: 0.4264821347194924
Energy: 0.359560712480636
Energy: 0.42648213471892354
Energy: 0.3754940729563001
Energy: 0.4177560361845573
Energy: 0.3709848364246825
Energy: 0.41775603618569507
Energy: 0.4863616959679321
Energy: 0.4333446472930236
Energy: 0.35947047526982
Energy: 0.4333446472930236
Energy: 0.3576428185160304
Energy: 0.4044807859118376
Energy: 0.3575483088079226
Energy: 0.4044807859118376
Energy: 0.4601282579278891
Energy: 0.4556576041446523
Energy: 0.350960810204158
Energy: 0.4556576041435146
Energy: 0.3576513702416491
Energy: 0.4184430219490064
Energy: 0.4055560467796369
Energy: 0.41844302195355715
Energy: 0.4285339291287923
Energy: 0.4468537558623779
Energy: 0.36323620008065854
Energy: 0.4468537558623779
Energy: 0.3576392783758506
Energy: 0.4422189274951202
Energy: 0.4285813006360775
Energy: 0.4422189274939825
Energy: 0.4501364241258255
Energy: 0.3984061169905814
Energy: 0.3632964046666712
Energy: 0.3984061169894437
Energy: 0.357870659082289
Energy: 0.4498192059391889
Energy: 0.4791778618016563
Energy: 0.4498192059380512
Energy: 0.4580008783453407
Energy: 0.4283373048157457
Energy: 0.3509156865570477
Energy: 0.42833730481802107

minimum gb energy = 0.350774125286597 eV
minimum distance =  2.5340947243338 Angstroms
sigma value = 37


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

Energy: 0.37758678724817113
Energy: 0.4099456093078897
Energy: 0.5572112717445802
Energy: 0.4099456093078897
Energy: 0.5042718107399831
Energy: 0.39318391417799675
Energy: 0.3399900684187887
Energy: 0.39318391417799675
Energy: 0.3452541859774873
Energy: 0.4203011817372293
Energy: 0.45543124283921954
Energy: 0.4203011817372293
Energy: 0.4376351130270537
Energy: 0.3983475349496727
Energy: 0.33798870716637786
Energy: 0.3983475349506514
Energy: 0.3365059020601221
Energy: 0.3935202415963382
Energy: 0.4493583563942938
Energy: 0.3935202415963382
Energy: 0.3935796722893717
Energy: 0.4114071229518133
Energy: 0.3640123718312837
Energy: 0.4114071229518133
Energy: 0.3432786747190368
Energy: 0.4378262536831657
Energy: 0.48777121190856226
Energy: 0.4378262536831657
Energy: 0.4356316475089604
Energy: 0.3664408972442159
Energy: 0.3404601818553369
Energy: 0.3664408972442159
Energy: 0.340380600935067
Energy: 0.3930754853730681
Energy: 0.4454644773243523
Energy: 0.3930754853730681
Energy: 0.4549643696573813
Energy: 0.41335301480036807
Energy: 0.3638820644118077
Energy: 0.41335301480036807
Energy: 0.34543776012303895
Energy: 0.43542108791842454
Energy: 0.36621049859645494
Energy: 0.43542108791842454
Energy: 0.4109872689082219
Energy: 0.3832890725895093
Energy: 0.337859279792244
Energy: 0.38328907259048794
Energy: 0.3631688411666184
Energy: 0.41138113113947006
Energy: 0.3744446364705266
Energy: 0.41138113113947006
Energy: 0.4766109497443178
Energy: 0.43641437559033525
Energy: 0.34202455759118144
Energy: 0.43641437559033525
Energy: 0.3769998660138984
Energy: 0.4226992568582557
Energy: 0.3380397813363372
Energy: 0.4226992568582557
Energy: 0.4427242672065814
Energy: 0.39152851824592505
Energy: 0.3402835632884762
Energy: 0.39152851824592505
Energy: 0.36315544061138627
Energy: 0.4134197721706225
Energy: 0.34289135910051216
Energy: 0.4134197721706225
Energy: 0.3751948336260764
Energy: 0.4408187769808311
Energy: 0.34672534620780193
Energy: 0.4408187769808311
Energy: 0.3370095972434357
Energy: 0.38317996740075916
Energy: 0.3341317117841281
Energy: 0.3831799673997805
Energy: 0.33721783852673426
Energy: 0.40068946986221704
Energy: 0.363110335592894
Energy: 0.40068946986319576

minimum gb energy = 0.3341317117841281 eV
minimum distance =  2.56551452274831 Angstroms
sigma value = 25


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

Energy: 0.35906823828829826
Energy: 0.388313431643405
Energy: 0.5349779017053233
Energy: 0.388313431643405
Energy: 0.5270620680557725
Energy: 0.3996990813137064
Energy: 0.3185105223544727
Energy: 0.3996990813129422
Energy: 0.340796800684424
Energy: 0.36131470634071605
Energy: 0.5018580526033012
Energy: 0.36131470634071605
Energy: 0.48358225332166627
Energy: 0.3832169386882881
Energy: 0.32096866879390284
Energy: 0.3832169386875239
Energy: 0.32353248290709513
Energy: 0.3998462990140568
Energy: 0.41323882242966575
Energy: 0.3998462990125284
Energy: 0.4348964186997701
Energy: 0.39567347435588013
Energy: 0.32326331565933614
Energy: 0.39567347435588013
Energy: 0.3199326310951683
Energy: 0.357248649318737
Energy: 0.4898345559544546
Energy: 0.3572486493202655
Energy: 0.42254906586296437
Energy: 0.38831264453810777
Energy: 0.34101612548422605
Energy: 0.38831264453810777
Energy: 0.31944457325482634
Energy: 0.4016477012670692
Energy: 0.5165215000188432
Energy: 0.401647701266305
Energy: 0.5113279733183252
Energy: 0.3750463806527173
Energy: 0.332284989687488
Energy: 0.3750463806527173
Energy: 0.3200662530590457
Energy: 0.3572699496511415
Energy: 0.49625104346915655
Energy: 0.3572699496511415
Energy: 0.5022095296642657
Energy: 0.3919152236655091
Energy: 0.34096767557213536
Energy: 0.39191522366627335
Energy: 0.32190234977796417
Energy: 0.3813903420521399
Energy: 0.47134644092116745
Energy: 0.3813903420521399
Energy: 0.4628722282204259
Energy: 0.38485971446133793
Energy: 0.32320605009774744
Energy: 0.38485971446210215
Energy: 0.3232652832497624
Energy: 0.37151025275437044
Energy: 0.4343941668351277
Energy: 0.37151025275437044
Energy: 0.5234387998833454
Energy: 0.41350780685123184
Energy: 0.3192774187245515
Energy: 0.4135078068504676
Energy: 0.34335006484202213
Energy: 0.38775837521055934
Energy: 0.48079865934058874
Energy: 0.38775837521055934
Energy: 0.46717365979538894
Energy: 0.3893919287047948
Energy: 0.3201395174166464
Energy: 0.3893919287047948
Energy: 0.3613342410495713
Energy: 0.38624462035304785
Energy: 0.40668586002641816
Energy: 0.38624462035304785
Energy: 0.4719966405053127
Energy: 0.41353238769724227
Energy: 0.3188261911712578
Energy: 0.413532387696478
Energy: 0.3435164296013113
Energy: 0.3926139970784094
Energy: 0.4544192028409207
Energy: 0.3926139970784094
Energy: 0.40971742061248895
Energy: 0.38551535262710485
Energy: 0.32444424691377005
Energy: 0.3855153526263406
Energy: 0.3249339128120608
Energy: 0.3805558349814111
Energy: 0.43835193178538184
Energy: 0.3805558349798827
Energy: 0.3392378385000231
Energy: 0.3937756581764098
Energy: 0.3230730434966023
Energy: 0.3937756581764098
Energy: 0.3222096626742507
Energy: 0.3970438547652121
Energy: 0.48980746496947475
Energy: 0.3970438547659763
Energy: 0.3163346832143999
Energy: 0.3918753723566753
Energy: 0.34383533042860265
Energy: 0.3918753723566753

minimum gb energy = 0.3163346832143999 eV
minimum distance =  2.46954950275907 Angstroms
sigma value = 41


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

Energy: 0.371452638447901
Energy: 0.35231293905419175
Energy: 0.5226631717119006
Energy: 0.35231293905419175
Energy: 0.5076365784370767
Energy: 0.4156015814483545
Energy: 0.29874714652829626
Energy: 0.4156015814483545
Energy: 0.3035887342357962
Energy: 0.3393731657504261
Energy: 0.5306281153607506
Energy: 0.3393731657510527
Energy: 0.4968435597101604
Energy: 0.341775070250571
Energy: 0.2986406990947025
Energy: 0.341775070250571
Energy: 0.29550745018900504
Energy: 0.3607870387193962
Energy: 0.5564758074751439
Energy: 0.3607870387200228
Energy: 0.4648542517233437
Energy: 0.3744585127096899
Energy: 0.2986975396188607
Energy: 0.37445851271031644
Energy: 0.2981249802438398
Energy: 0.34995167262275945
Energy: 0.5326391631773777
Energy: 0.34995167262275945
Energy: 0.4010869958997572
Energy: 0.3429137073133304
Energy: 0.29619373314623
Energy: 0.3429137073139568
Energy: 0.30038287942313946
Energy: 0.3582082548718262
Energy: 0.4806351188165153
Energy: 0.35820825487119967
Energy: 0.4884263939063652
Energy: 0.3391820504400733
Energy: 0.3041204895123289
Energy: 0.3391820504394467
Energy: 0.29797386119454067
Energy: 0.41605720049762107
Energy: 0.5083055591615043
Energy: 0.4160572004982476
Energy: 0.5252395903812975
Energy: 0.37857116438087257
Energy: 0.3705192578812877
Energy: 0.3785711643802461
Energy: 0.3001730900280992
Energy: 0.3913386954670332
Energy: 0.5229182375372916
Energy: 0.3913386954676597
Energy: 0.48966565669302187
Energy: 0.4167628194731226
Energy: 0.30415224139008096
Energy: 0.4167628194731226
Energy: 0.2981721193498628
Energy: 0.3485634889768073
Energy: 0.4960364492405189
Energy: 0.3485634889768073
Energy: 0.48779103436229976
Energy: 0.3818213830500226
Energy: 0.29605426216481734
Energy: 0.3818213830493961
Energy: 0.3003594075186993
Energy: 0.35819656600414895
Energy: 0.4485538230094044
Energy: 0.35819656600414895
Energy: 0.5281383916702093
Energy: 0.3953631959198515
Energy: 0.2985989022831921
Energy: 0.3953631959198515
Energy: 0.2981015933551728
Energy: 0.3423812436108376
Energy: 0.39776160643236724
Energy: 0.3423812436114641
Energy: 0.5629698511278417
Energy: 0.3583398096367053
Energy: 0.3004780723464837
Energy: 0.3583398096367053
Energy: 0.3058844973403634
Energy: 0.3577690077484641
Energy: 0.4250162566803892
Energy: 0.3577690077484641
Energy: 0.5205492535749218
Energy: 0.4213089252354587
Energy: 0.2986655342832427
Energy: 0.4213089252367118
Energy: 0.3705061699617078
Energy: 0.3565172253940758
Energy: 0.3942670055540187
Energy: 0.3565172253934492
Energy: 0.44555162434255924
Energy: 0.37667875825273917
Energy: 0.30061838644654615
Energy: 0.37667875825273917
Energy: 0.3060902217235129
Energy: 0.3803628004599235
Energy: 0.47648886403479496
Energy: 0.38036280046055
Energy: 0.4453254624384276
Energy: 0.3712034406071138
Energy: 0.29862666305505536
Energy: 0.3712034406071138
Energy: 0.29800692844421595
Energy: 0.3819865336600088
Energy: 0.4880233711439535
Energy: 0.3819865336600088
Energy: 0.3855199720883671
Energy: 0.356793636990783
Energy: 0.30092045572793014
Energy: 0.356793636990783
Energy: 0.3003956299067589
Energy: 0.36216442119045167
Energy: 0.5275669888530145
Energy: 0.3621644211910782
Energy: 0.29779449445616285
Energy: 0.380285386114157
Energy: 0.30079006968649624
Energy: 0.380285386114157
Energy: 0.30205594470884434
Energy: 0.35764887693040376
Energy: 0.44563089730760497
Energy: 0.35764887693040376
Energy: 0.29551247870031877
Energy: 0.3568819667908842
Energy: 0.3090662843470291
Energy: 0.3568819667908842

minimum gb energy = 0.29550745018900504 eV
minimum distance =  2.50505280028078 Angstroms
sigma value = 15


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

Energy: 0.34853945630143335
Energy: 0.39515580615435003
Energy: 0.5099149049004127
Energy: 0.3951558061538193
Energy: 0.5149979200344794
Energy: 0.36210471176810066
Energy: 0.2857241116038833
Energy: 0.3621047117675699
Energy: 0.2928311130648834
Energy: 0.3257084981095253
Energy: 0.516079033677973
Energy: 0.3257084981089945
Energy: 0.49975290036218506
Energy: 0.35750442692476164
Energy: 0.28588004918641763
Energy: 0.3575044269252924
Energy: 0.2838377237887264
Energy: 0.3640075546601851
Energy: 0.538312540212408
Energy: 0.36400755466071577
Energy: 0.49173909272615174
Energy: 0.33192514463873835
Energy: 0.2859296437255085
Energy: 0.3319251446392691
Energy: 0.28530265332878174
Energy: 0.3298286808701404
Energy: 0.5107912105042839
Energy: 0.3298286808696096
Energy: 0.5243817044712895
Energy: 0.32961219358298044
Energy: 0.28579048382828715
Energy: 0.32961219358298044
Energy: 0.28720318737145106
Energy: 0.3908271229934187
Energy: 0.5018085499903968
Energy: 0.3908271229934187
Energy: 0.5044340651811677
Energy: 0.3354201627366893
Energy: 0.28422153317754006
Energy: 0.3354201627377508
Energy: 0.28545050157133833
Energy: 0.35785492322767054
Energy: 0.5011990715128855
Energy: 0.3578549232271398
Energy: 0.47297571162050245
Energy: 0.3257374827501296
Energy: 0.29322322310163534
Energy: 0.3257374827506604
Energy: 0.2870093765766633
Energy: 0.3929326174219489
Energy: 0.5149474312128068
Energy: 0.39293261742088736
Energy: 0.463344973789081
Energy: 0.3607230701977681
Energy: 0.34793257883586676
Energy: 0.3607230701982989
Energy: 0.28549286157021236
Energy: 0.3614297458421271
Energy: 0.5151487427650431
Energy: 0.3614297458426579
Energy: 0.4744281181101777
Energy: 0.35079453400694166
Energy: 0.2932202865471601
Energy: 0.35079453400747246
Energy: 0.28697621042599264
Energy: 0.3763603421955802
Energy: 0.4992388470616144
Energy: 0.3763603421955802
Energy: 0.5186982324377085
Energy: 0.37723861771159345
Energy: 0.2841016546879195
Energy: 0.37723861771106265
Energy: 0.2854102903360467
Energy: 0.3310147791549081
Energy: 0.4710641046419059
Energy: 0.3310147791538466
Energy: 0.511569553589607
Energy: 0.35098290893090367
Energy: 0.2859109192981993
Energy: 0.35098290893143447
Energy: 0.28691922219938115
Energy: 0.34821483305073037
Energy: 0.4491920484175061
Energy: 0.34821483305073037
Energy: 0.5139119018682538
Energy: 0.36729597219344423
Energy: 0.28917215679993513
Energy: 0.36729597219344423
Energy: 0.2853241667510615
Energy: 0.3337204461575323
Energy: 0.5086464222145405
Energy: 0.3337204461575323
Energy: 0.5237830106275876
Energy: 0.331829231569603
Energy: 0.2858441687985991
Energy: 0.3318292315701338
Energy: 0.2945340897888559
Energy: 0.3476691538094815
Energy: 0.48024958235978743
Energy: 0.34766915381001223
Energy: 0.49829958565906374
Energy: 0.3886660457562992
Energy: 0.2888426417075206
Energy: 0.3886660457562992
Energy: 0.3482506150500733
Energy: 0.3635067715318654
Energy: 0.4644775258304671
Energy: 0.36350677153133465
Energy: 0.516339731924429
Energy: 0.35327875947935616
Energy: 0.28569396537859154
Energy: 0.35327875947988696
Energy: 0.2944033044214965
Energy: 0.3840093860831741
Energy: 0.4606893982477595
Energy: 0.3840093860837049
Energy: 0.4898029987236862
Energy: 0.35299214334906454
Energy: 0.288863090258654
Energy: 0.35299214334906454
Energy: 0.28532157215200327
Energy: 0.3769129870917307
Energy: 0.519395579774536
Energy: 0.37691298709119997
Energy: 0.4793322289766523
Energy: 0.3303528147876197
Energy: 0.28587635743966866
Energy: 0.3303528147881505
Energy: 0.28681975778680924
Energy: 0.401640888675298
Energy: 0.5222893395135073
Energy: 0.4016408886763595
Energy: 0.4557029543207645
Energy: 0.3473195410178092
Energy: 0.2889045817495327
Energy: 0.3473195410178092
Energy: 0.2825600507476324
Energy: 0.36332188921157205
Energy: 0.5066418563161311
Energy: 0.3633218892110413
Energy: 0.5043469375713915
Energy: 0.3326710575160516
Energy: 0.2874692181252001
Energy: 0.3326710575165824
Energy: 0.28687340134918454
Energy: 0.3738519816293394
Energy: 0.4751828233540674
Energy: 0.37385198162880867

minimum gb energy = 0.2825600507476324 eV
minimum distance =  2.52930208422275 Angstroms
sigma value = 85


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

Energy: 0.3320878375814141
Energy: 0.3690352526852092
Energy: 0.4854986779557374
Energy: 0.36903525268474885
Energy: 0.505635416764579
Energy: 0.328713941731072
Energy: 0.26093035168581985
Energy: 0.32871394173015134
Energy: 0.3170980261776843
Energy: 0.3008638021354544
Energy: 0.4895741015799202
Energy: 0.3008638021354544
Energy: 0.4950867942398721
Energy: 0.3385455773894657
Energy: 0.2608689961741967
Energy: 0.3385455773899261
Energy: 0.2700860057582391
Energy: 0.2887319981060969
Energy: 0.5421450889716122
Energy: 0.2887319981060969
Energy: 0.48176752244872195
Energy: 0.31811559887785384
Energy: 0.26063699510859584
Energy: 0.31811559887785384
Energy: 0.25878151574807234
Energy: 0.3238745704116789
Energy: 0.48864582401809825
Energy: 0.32387457041075823
Energy: 0.4757389143112009
Energy: 0.30979589500409516
Energy: 0.26084280647176766
Energy: 0.30979589500317445
Energy: 0.26046198723333547
Energy: 0.2937125206856009
Energy: 0.4809415379489776
Energy: 0.2937125206856009
Energy: 0.4919168636991746
Energy: 0.3080345595251131
Energy: 0.2591922890709132
Energy: 0.3080345595251131
Energy: 0.26121897706194874
Energy: 0.3183468389327008
Energy: 0.49995798761289406
Energy: 0.3183468389327008
Energy: 0.49002167958826903
Energy: 0.31112320206757177
Energy: 0.27039046122818505
Energy: 0.31112320206711147
Energy: 0.2606599041772379
Energy: 0.3210047480423661
Energy: 0.495832791667071
Energy: 0.3210047480423661
Energy: 0.4577041312325327
Energy: 0.30079971057782845
Energy: 0.3165059467843544
Energy: 0.30079971057736815
Energy: 0.2608134638193121
Energy: 0.32954535268430896
Energy: 0.506355690658946
Energy: 0.32954535268476925
Energy: 0.44773267160255104
Energy: 0.3286118472858614
Energy: 0.3315866215963472
Energy: 0.3286118472858614
Energy: 0.2603769819973044
Energy: 0.32398820731726935
Energy: 0.5062997563646949
Energy: 0.323988207316809
Energy: 0.4583262707971583
Energy: 0.3213619566132196
Energy: 0.31643848338837544
Energy: 0.3213619566132196
Energy: 0.26083715545467445
Energy: 0.33759095506529363
Energy: 0.4943912355637558
Energy: 0.33759095506575404
Energy: 0.4962696063009383
Energy: 0.3337619722944499
Energy: 0.2703991238315828
Energy: 0.3337619722944499
Energy: 0.2603248172347579
Energy: 0.2937889239516608
Energy: 0.4811732963645551
Energy: 0.2937889239516608
Energy: 0.48931533874648453
Energy: 0.3246348394071141
Energy: 0.25919252014750416
Energy: 0.3246348394071141
Energy: 0.26080259142587575
Energy: 0.310870901977301
Energy: 0.47570211645310895
Energy: 0.310870901977301
Energy: 0.4929701426861258
Energy: 0.3649361448949885
Energy: 0.26090537766938177
Energy: 0.3649361448954488
Energy: 0.26044402978958503
Energy: 0.29258433325999683
Energy: 0.48459610055750185
Energy: 0.29258433326045713
Energy: 0.5007483688750101
Energy: 0.3303738302665276
Energy: 0.2610875800646362
Energy: 0.3303738302665276
Energy: 0.2717124920288315
Energy: 0.31093057003223734
Energy: 0.48911836924348645
Energy: 0.31093057003223734
Energy: 0.5025115514360415
Energy: 0.33495724112089426
Energy: 0.2609017868276412
Energy: 0.33495724112043396
Energy: 0.3166897365963989
Energy: 0.3209155858582354
Energy: 0.47326713128209025
Energy: 0.3209155858582354
Energy: 0.5072830731398542
Energy: 0.34608133516818296
Energy: 0.26109241538697064
Energy: 0.34608133516772266
Energy: 0.33183242148777503
Energy: 0.32862055984043015
Energy: 0.4474810186205083
Energy: 0.32862055984043015
Energy: 0.4958729530850789
Energy: 0.37151280535472064
Energy: 0.260877559822673
Energy: 0.3715128053537999
Energy: 0.3167751511641831
Energy: 0.30311491205364594
Energy: 0.45672643684175296
Energy: 0.30311491205410623
Energy: 0.49438544298232046
Energy: 0.33728660001669014
Energy: 0.261116012512184
Energy: 0.3372866000162298
Energy: 0.27162048948510387
Energy: 0.3331782806930429
Energy: 0.4657637535032498
Energy: 0.3331782806944239
Energy: 0.45536421157649637
Energy: 0.3266663431099949
Energy: 0.26086814790994606
Energy: 0.32666634310909515
Energy: 0.26035557299760914
Energy: 0.30373113159464443
Energy: 0.49006782624931977
Energy: 0.3037311315951047
Energy: 0.4751940482892686
Energy: 0.30903009654731833
Energy: 0.2610457424493245
Energy: 0.30903009654731833
Energy: 0.26185723611643824
Energy: 0.35076147662928653
Energy: 0.40067868312161875
Energy: 0.35076147662928653
Energy: 0.3760199331544292
Energy: 0.3269680931369238
Energy: 0.2592427141272822
Energy: 0.3269680931364635
Energy: 0.26123820544625226
Energy: 0.31187458059751877
Energy: 0.4946129391913992
Energy: 0.31187458059751877
Energy: 0.4859650101827887
Energy: 0.311256401415688
Energy: 0.2705324008216243
Energy: 0.311256401415688
Energy: 0.26097960484630056
Energy: 0.34120823564011754
Energy: 0.4874032560261081
Energy: 0.34120823564057784

minimum gb energy = 0.25878151574807234 eV
minimum distance =  2.56780451417017 Angstroms
sigma value = 113


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

Energy: 0.011721036058202686
Energy: 0.012235588597421949
Energy: 0.27400122303647695
Energy: 0.012235588597087732
Energy: 0.2740147794153507
Energy: 0.16711936634429478
Energy: 0.16681232887788003
Energy: 0.16711936634394092
Energy: 0.011721036058202686
Energy: 0.012235588597421949
Energy: 0.2740012230361427
Energy: 0.012235588597087732
Energy: 0.2740147794149968
Energy: 0.16711936634394092
Energy: 0.16681232887788003
Energy: 0.16711936634394092
Energy: 0.011721036058202686
Energy: 0.012235588597421949
Energy: 0.2740012230361427
Energy: 0.012235588597087732
Energy: 0.2740147794149968
Energy: 0.16711936634394092
Energy: 0.1668123288782339
Energy: 0.16711936634429478

minimum gb energy = 0.011721036058202686 eV
minimum distance =  2.82582225498934 Angstroms
sigma value = 1