Model name: model_name=EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000077366829
cohesive_energy=4.450350029951057
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[6.53213822388336e-20, 1.42254058979592e-19, 2.41100346414222e-19, 3.3853671841093195e-19, 4.1388868768458594e-19, 4.67882040250386e-19, 5.07933251747118e-19, 5.40064904141988e-19, 5.66620981850538e-19, 5.88830354351046e-19, 6.075726166155779e-19, 6.2375940714888e-19, 6.38198222974488e-19, 6.51454632444204e-19, 6.63626368332702e-19, 6.7456442821302e-19, 6.841294227179999e-19, 6.92273286548622e-19, 6.990280632375659e-19, 7.043985593147339e-19, 7.083815704268579e-19, 7.11044387992566e-19, 7.1251678831921205e-19, 7.1296860213e-19, 7.125087774360419e-19, 7.110331727561279e-19, 7.084152161361718e-19, 7.04440215907218e-19, 6.987060257341319e-19, 6.90715970860374e-19, 6.798436002220499e-19, 6.653086537984019e-19, 6.46321258508868e-19, 6.22179660987756e-19, 5.92335916826238e-19, 5.5644395587137e-19, 5.14446099764328e-19, 4.66276659263118e-19, 4.11680888282934e-19, 3.5014929465416396e-19, 2.81425530115368e-19, 2.11176493421004e-19, 1.515617439171516e-19, 1.238447290196052e-19, 1.8258565138727398e-19, 4.659225782270039e-19, 1.3311364128262197e-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: 0.01810388621061779
Energy: 4.701941291394441
Energy: 0.01888845023099062
Energy: 0.01841437213081931
Energy: 4.647595329709097
Energy: 0.018558433766973626
Energy: 4.701941291449385
Energy: 0.16290885498112812
Energy: 0.16171325086448968
Energy: 0.16153390384498495
Energy: 0.16203866680820825
Energy: 0.1619828112776706
Energy: 0.018888450230659857
Energy: 0.16171325086448968
Energy: 0.16199606565384944
Energy: 0.018594929180168356
Energy: 0.16136763499508208
Energy: 0.16149540765533843
Energy: 0.01841437213081931
Energy: 0.1615339038456097
Energy: 0.018594929180168356
Energy: 0.018488864038928004
Energy: 0.1614402324839663
Energy: 0.018532764262721088
Energy: 4.647594695196422
Energy: 0.16203866680791426
Energy: 0.16136763499475132
Energy: 0.1614402324849586
Energy: 0.16193075736502419
Energy: 0.1621199571390829
Energy: 0.018558433767304393
Energy: 0.1619828112776706
Energy: 0.16149540765438292
Energy: 0.018532764262721088
Energy: 0.1621199571390829
Energy: 0.018512304304223376

minimum gb energy = 0.01810388621061779 eV
minimum distance =  2.48642917968681 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.247274633561016
Energy: 1.3268036378856058
Energy: 1.3755612351204745
Energy: 1.3804412351321713
Energy: 3.5776496192522886
Energy: 1.3528260062764306
Energy: 1.8847601516435946
Energy: 1.3395624670655872
Energy: 1.3397234342776303
Energy: 1.3507397094398612
Energy: 1.3390349170047506
Energy: 1.2993919512655547
Energy: 2.3099305139677098
Energy: 1.2984790107081943
Energy: 1.281642383038737
Energy: 1.3572419182810695
Energy: 1.3182876610482117
Energy: 1.2888688260493386
Energy: 2.392456431678348
Energy: 1.2822919008080322
Energy: 1.2887751890587107
Energy: 1.2892526421367227
Energy: 1.2832655989084598
Energy: 1.2886364154299847
Energy: 1.8871612684898733
Energy: 1.3515618932218034
Energy: 1.350982482460658
Energy: 1.360630704243496
Energy: 1.3508677278515673
Energy: 1.3505411768383384
Energy: 2.411641255669139
Energy: 1.3521090945735879
Energy: 1.3506522120142257
Energy: 1.3340215900152805
Energy: 1.3520949946031824
Energy: 1.3359655475787107
Energy: 2.4008926062018485
Energy: 1.333455708526235
Energy: 1.333728265175347
Energy: 1.3334691368377598
Energy: 1.333562936267782
Energy: 1.3334498241218768
Energy: 1.8075687422473175
Energy: 1.351884112854442
Energy: 1.3515537253325502
Energy: 1.2903125664003574
Energy: 1.3520455106641698
Energy: 1.3341060228522923
Energy: 1.6159753274522142
Energy: 1.3360405256336028
Energy: 1.3357191551638041
Energy: 1.349085817825115
Energy: 1.350480610792631
Energy: 1.3330258124441559
Energy: 1.6094420119058863
Energy: 1.3646972736057519
Energy: 1.3701059854772637
Energy: 1.3504061228751587
Energy: 1.3625666020800034
Energy: 1.3508814024863798
Energy: 1.55167786681977
Energy: 1.3134310314421906
Energy: 1.3086823161996846
Energy: 1.4421434509007716
Energy: 1.3091723269297588
Energy: 1.2624748341043857
Energy: 1.3466348589764896
Energy: 1.2852837666130252
Energy: 1.289420898065766
Energy: 1.339593832508767
Energy: 1.3500385286764502
Energy: 1.2813023514537407
Energy: 1.3396909504685737
Energy: 1.334817743244466
Energy: 1.298876321691164
Energy: 1.3399503991740274
Energy: 1.361957598995659
Energy: 1.3188867397738977
Energy: 1.3708110018284358
Energy: 1.289565681469451
Energy: 1.2889898776873532
Energy: 1.3438246738488253
Energy: 1.2894712991504416
Energy: 1.2811611539798684
Energy: 1.370573819355808
Energy: 1.363008273904817
Energy: 1.3423687866731642
Energy: 1.3425607644442392
Energy: 1.3617572749745261
Energy: 1.3420498927851658
Energy: 1.377878264713522
Energy: 1.2890310588371316
Energy: 1.2894046969160293
Energy: 1.3201344315485561
Energy: 1.3364938510857367
Energy: 1.2903364101743897
Energy: 1.655677833045788
Energy: 1.3324687129303883
Energy: 1.3325942617381756
Energy: 1.2933055115480765
Energy: 1.3333444339337182
Energy: 1.289202197984179
Energy: 2.0928584999924
Energy: 1.3536274663337453
Energy: 1.3521182039809636
Energy: 1.3516122608845245
Energy: 1.3528917189548257
Energy: 1.3520282566794757
Energy: 2.093470837272145
Energy: 1.3528097787364712
Energy: 1.3510531785071318
Energy: 1.3514524291321217
Energy: 1.3515378229758144
Energy: 1.3504057436447536
Energy: 1.9903554868666355
Energy: 1.3526195299017576
Energy: 1.351890851228095
Energy: 1.3509341264258055
Energy: 1.3511285639403492
Energy: 1.3510839521591973
Energy: 2.2465453874319294
Energy: 1.290231007234091
Energy: 1.309481616182413
Energy: 1.3101551107594525
Energy: 1.3015656111306089
Energy: 1.309563035539319
Energy: 2.0886460754296596
Energy: 1.320492258181277
Energy: 1.3078187238668535
Energy: 1.3535919782650414
Energy: 1.3191627713281884
Energy: 1.2901045034097947
Energy: 2.0928251383245877
Energy: 1.3065098599534133
Energy: 1.3063708953636703
Energy: 1.3483948596222282
Energy: 1.307477937739025
Energy: 1.3014969386128714

minimum gb energy = 1.2624748341043857 eV
minimum distance =  2.34453055816271 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.913250290316873
Energy: 1.4674610287251848
Energy: 1.3478848388580333
Energy: 1.341080267377612
Energy: 1.3595912749553276
Energy: 1.4597747062288808
Energy: 2.4258236084248868
Energy: 1.3497528215526609
Energy: 1.3390660997635464
Energy: 1.4108840720537776
Energy: 1.3499684375051582
Energy: 1.3372867066140288
Energy: 1.489617798144822
Energy: 1.3497698522637107
Energy: 1.3742648134876012
Energy: 1.479477881464386
Energy: 1.3499530596210838
Energy: 1.433040301277503
Energy: 2.0146006836582937
Energy: 1.5125630891775501
Energy: 1.362857409492415
Energy: 1.4136006593818233
Energy: 1.4713176317113503
Energy: 1.4125686311763945
Energy: 2.38896409575536
Energy: 1.6404659838983946
Energy: 1.3949630429242663
Energy: 1.4016233761613812
Energy: 1.676433407567633
Energy: 1.5565534291390133
Energy: 2.5280535241137594
Energy: 1.5320143359758316
Energy: 1.5110737508322756
Energy: 1.7486196448913425
Energy: 1.6502401549699404
Energy: 1.6019199072708228
Energy: 2.5429166751536387
Energy: 1.616156999860648
Energy: 1.6119247692669487
Energy: 1.5081889105358346
Energy: 1.4206756680015078
Energy: 1.5044808757602268
Energy: 1.485956371549632
Energy: 1.477392386641941
Energy: 1.4775523207398578
Energy: 1.3960651632210277
Energy: 1.477684792660356
Energy: 1.480890449276356
Energy: 1.5640763234742066
Energy: 1.475272544232332
Energy: 1.481093872598132
Energy: 1.4914032078249546
Energy: 1.476113696359985
Energy: 1.4830606206168326
Energy: 1.564935041672705
Energy: 1.491087875888093
Energy: 1.4814219671821294
Energy: 1.4845559625094331
Energy: 1.4893498733554111
Energy: 1.47335612037339
Energy: 1.5657809610177684
Energy: 1.3117640783881768
Energy: 1.3114925351865232
Energy: 1.5710943238438417
Energy: 1.2461899397204719
Energy: 1.2473767721093985
Energy: 1.4388067665886626
Energy: 1.4081979128017885
Energy: 1.4049991763545424
Energy: 1.4250240933794147
Energy: 1.382074773996877
Energy: 1.3986172485273893
Energy: 1.4376059060305197
Energy: 1.572712462456532
Energy: 1.537422085778128
Energy: 1.437313897384835
Energy: 1.5266483754029767
Energy: 1.4494005709655382
Energy: 1.571855733718155
Energy: 1.4132379560966801
Energy: 1.4131458239156796
Energy: 1.6678057883550597
Energy: 1.414092911718971
Energy: 1.4141218966194913
Energy: 1.868095250002618
Energy: 1.5753853275322114
Energy: 1.5603336088514912
Energy: 1.6369769026460328
Energy: 1.5315142315162582
Energy: 1.5274318796944388
Energy: 1.8425197106819338
Energy: 1.582434118171115
Energy: 1.5705189061616855
Energy: 1.8196586229825011
Energy: 1.6817989370471382
Energy: 1.6045630126750527
Energy: 1.8512446643965554
Energy: 1.6009126676111265
Energy: 1.6040803349140953
Energy: 1.5095615124046655
Energy: 1.5715002640752205
Energy: 1.5338557311017995
Energy: 1.6874922539368544
Energy: 1.5591540364659255
Energy: 1.5914755296460128
Energy: 1.4770671677773577
Energy: 1.714701380379547
Energy: 1.4801378327363681
Energy: 1.520134227611
Energy: 1.5676731170957197
Energy: 1.5760204475012738
Energy: 1.4755348291674517
Energy: 1.5636463316892788
Energy: 1.5758069770651468
Energy: 1.9783234861871193
Energy: 1.561484389933569
Energy: 1.5601922595554794
Energy: 1.5665339107637462
Energy: 1.5622053606695092
Energy: 1.5601770931316488
Energy: 2.1863510135234057
Energy: 1.4856363525209106
Energy: 1.246809211228885
Energy: 1.2478191885213405
Energy: 1.4872206753337054
Energy: 1.2462152902093873
Energy: 2.7025566118051194
Energy: 1.4869302234966726
Energy: 1.486820258256585
Energy: 1.381662248118075
Energy: 1.519810649343926
Energy: 1.486793294440099
Energy: 2.0591125803306247
Energy: 1.5188006153361295
Energy: 1.5285108998889412
Energy: 1.6587598752924653
Energy: 1.5181405533562022
Energy: 1.5270990695375455
Energy: 2.1068710876836296
Energy: 1.6733626717469399
Energy: 1.7566322623252377
Energy: 1.4135372574592027
Energy: 1.6855225145067954
Energy: 1.4721815107290648
Energy: 1.9319288363155118
Energy: 1.595501348617794
Energy: 1.5622054737407773
Energy: 1.5701964006568518
Energy: 1.586447970142021
Energy: 1.5662237236155312
Energy: 2.4928760925073683
Energy: 1.6375671044324007
Energy: 1.5269578241956228
Energy: 1.5916683066029462
Energy: 1.6196527600926214
Energy: 1.5608043826900677
Energy: 2.528086448938914
Energy: 1.413856203602997
Energy: 1.4623993976040424
Energy: 1.7490583845259366
Energy: 1.5298348481305193
Energy: 1.5943122592047425
Energy: 1.5774002061146966
Energy: 1.475738834052222
Energy: 1.477201562089657
Energy: 1.565649582689761
Energy: 1.4756508259638053
Energy: 1.5641867516769303
Energy: 1.5627284265322414
Energy: 1.4763301499487684
Energy: 1.477089079181829
Energy: 1.4906043511405245
Energy: 1.4757566705728826
Energy: 1.6106625721638712
Energy: 1.5625468317283604
Energy: 1.4730418293692116
Energy: 1.48055425581226
Energy: 1.4810896239976241
Energy: 1.631453447051115
Energy: 1.48076283863997
Energy: 1.5545723541094596
Energy: 1.2466432714126248
Energy: 1.2467205811312003
Energy: 1.4049003778835543
Energy: 1.3055023977083102
Energy: 1.3051574646137678
Energy: 1.4390057262552578
Energy: 1.25210379532382
Energy: 1.2469501302304509
Energy: 1.4396713437624449
Energy: 1.4076887928415942
Energy: 1.4064241148010457
Energy: 1.4389139334587115
Energy: 1.4837289119888515
Energy: 1.4632012940523509
Energy: 1.4388708152480365
Energy: 1.5850001113236587
Energy: 1.4503619783880206
Energy: 1.4398311755997184
Energy: 1.4134108882485898
Energy: 1.4130206983908258
Energy: 1.4475224120521282
Energy: 1.4145073473166654
Energy: 1.4734263836231576
Energy: 1.7516751495610579
Energy: 1.4970548031011517
Energy: 1.5207582757644245
Energy: 1.675595628824101
Energy: 1.6269099630682893
Energy: 1.5269486405171513
Energy: 1.819694730156383
Energy: 1.4502146450538294
Energy: 1.4655277954040977
Energy: 1.8228160426760525
Energy: 1.6402433348844707
Energy: 1.5296702877916928
Energy: 1.4512864697199517
Energy: 2.239941611659894
Energy: 1.3453255908900035
Energy: 1.33851558158394
Energy: 1.3380472081148294
Energy: 1.5594244379893911
Energy: 1.6974619172692547
Energy: 1.5987947594247534
Energy: 1.3793919384223667
Energy: 1.4755102709347767
Energy: 1.395751215315455
Energy: 1.5627010081075416
Energy: 1.6619812756628083
Energy: 1.4117953587982865
Energy: 1.3966138185560937
Energy: 1.4778666357110706
Energy: 1.3960865279598444
Energy: 1.4777606096564098
Energy: 1.5114573559646594
Energy: 1.3946859108363303
Energy: 1.364993214479124
Energy: 1.3920705479202087
Energy: 1.3954362682640096
Energy: 1.39502730927484
Energy: 1.4143207234525592
Energy: 1.3049804040624393
Energy: 1.2467903345813616
Energy: 1.24665668045612
Energy: 1.2963147435075044
Energy: 1.364676791393417

minimum gb energy = 1.2461899397204719 eV
minimum distance =  2.30755508593644 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.1068123741719003
Energy: 1.372586655977829
Energy: 1.4851931356355361
Energy: 1.385227577912178
Energy: 1.3723033317923505
Energy: 1.387865814558483
Energy: 1.601501656679706
Energy: 1.3646549646056463
Energy: 1.364961106822544
Energy: 1.3860508520987151
Energy: 1.3643864765924505
Energy: 1.364830167506173
Energy: 2.2633097427599393
Energy: 1.3668159277126979
Energy: 1.3622653662283775
Energy: 1.359886009979249
Energy: 1.3669122006554264
Energy: 1.3365618087244853
Energy: 2.2301061667897586
Energy: 1.3372612369390742
Energy: 1.3381962576710662
Energy: 1.3618281286952594
Energy: 1.3674128885662695
Energy: 1.3653161571053078
Energy: 1.7654957703982617
Energy: 1.4314327722691778
Energy: 1.4311049121096149
Energy: 1.4084055812868421
Energy: 1.4314300760351193
Energy: 1.4296758265953102
Energy: 1.7744329245366277
Energy: 1.4324306652017036
Energy: 1.4316453756421041
Energy: 1.4315077904261568
Energy: 1.4318511545137824
Energy: 1.4300650570431177
Energy: 1.7735489116547862
Energy: 1.3858032398471105
Energy: 1.4072266766431634
Energy: 1.4313604622105676
Energy: 1.4093919195740214
Energy: 1.4070408640634047
Energy: 1.5969924922337515
Energy: 1.2889495619448068
Energy: 1.2907017638900924
Energy: 1.4108870854870383
Energy: 1.2896886953847253
Energy: 1.288645464397926
Energy: 1.3663014056529592
Energy: 1.2887400759226368
Energy: 1.2892830068790724
Energy: 1.367097284910577
Energy: 1.292263073150351
Energy: 1.3411360213069956
Energy: 1.3653922102896172
Energy: 1.4016467648080615
Energy: 1.3650693684196007
Energy: 1.3656259505968333
Energy: 1.4980970582400206
Energy: 1.364468832666352
Energy: 1.3646953367163193
Energy: 1.340753089185357
Energy: 1.3005073802608846
Energy: 1.3662481430852338
Energy: 1.3574880139316101
Energy: 1.306593007850143
Energy: 1.4165709648261005
Energy: 1.4040975620049978
Energy: 1.365022627783185
Energy: 1.3670408461969072
Energy: 1.4005789356262721
Energy: 1.3648359599173006
Energy: 1.6105478125484347
Energy: 1.3605386483800554
Energy: 1.359870990491917
Energy: 1.389096287970014
Energy: 1.3622787405744707
Energy: 1.3875305414286316
Energy: 1.4157973594200481
Energy: 1.3607776540846481
Energy: 1.3603268142055218
Energy: 1.366140771280739
Energy: 1.3614355008434444
Energy: 1.368070095195315
Energy: 2.0981760743508673
Energy: 1.3739629502611366
Energy: 1.3727134045672138
Energy: 1.4151158577293736
Energy: 1.3460990222041316
Energy: 1.33930652001368
Energy: 2.0653888685529025
Energy: 1.3668362819154791
Energy: 1.3672311017507772
Energy: 1.414963971865044
Energy: 1.3923713431172178
Energy: 1.3960533776066892
Energy: 2.0935170803822216
Energy: 1.3920069731242626
Energy: 1.3923251862455273
Energy: 1.4051429186386308
Energy: 1.3928804653576343
Energy: 1.3915008862488896
Energy: 2.384382107662268
Energy: 1.3642484972261155
Energy: 1.3683775137855136
Energy: 1.2884095808462275
Energy: 1.3644626222283134
Energy: 1.3365229196816544

minimum gb energy = 1.2884095808462275 eV
minimum distance =  2.34749581403799 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.7753675102806403
Energy: 3.4061548672779476
Energy: 1.2990138349300153
Energy: 1.516837732212159
Energy: 1.2633228475584837
Energy: 1.2989192178545437
Energy: 1.6626440118465216
Energy: 1.2633706308186723
Energy: 1.2626832149411118
Energy: 1.2679184662301397
Energy: 1.262568090939555
Energy: 1.2631904451633362
Energy: 1.9590027344022087
Energy: 1.2631804211834394
Energy: 1.2636090175596886
Energy: 1.2631018386809387
Energy: 1.2634348193086256
Energy: 1.2634742565700623
Energy: 1.503020718003061
Energy: 1.2628189973422024
Energy: 1.2631374703053329
Energy: 1.3085789546465636
Energy: 1.2625468113678613
Energy: 1.2629984050258232
Energy: 1.5114508178928934
Energy: 1.3121559021576172
Energy: 1.3118910980305287
Energy: 1.2681422768202195
Energy: 1.3124229246993702
Energy: 1.3118829896919368
Energy: 1.9584607552958493
Energy: 1.2252941159652089
Energy: 1.3128773910267064
Energy: 1.3128057741893397
Energy: 1.2253160985781413
Energy: 1.3094779080103147
Energy: 1.9569111401807784
Energy: 1.3120535085605864
Energy: 1.3108970685371415
Energy: 1.3131147452530525
Energy: 1.3120032924436562
Energy: 1.312671410039668
Energy: 1.4337366061686752
Energy: 1.2272144132212264
Energy: 1.2262754941814031
Energy: 1.4351278609559384
Energy: 1.2257874560157151
Energy: 1.2257759686628495
Energy: 1.2627434009832164
Energy: 1.2268956588886908
Energy: 1.2258639961855202
Energy: 1.2622104854032488
Energy: 1.2253926688654473
Energy: 1.2253052260640993
Energy: 1.2625216214179107
Energy: 1.2637290752292025
Energy: 1.2633514165886557
Energy: 1.2627126153009047
Energy: 1.2636527024464075
Energy: 1.2628238570968997
Energy: 1.2638585934025595
Energy: 1.3081886298349692
Energy: 1.308258775807669
Energy: 1.2637506515569348
Energy: 1.3081920163863774
Energy: 1.2632296589044736
Energy: 1.9581675115138413
Energy: 1.3123604916823137
Energy: 1.311842183210698
Energy: 1.3126030158979447
Energy: 1.2635678188634278
Energy: 1.2636157026641839
Energy: 1.2252735349970814
Energy: 1.3121392424364446
Energy: 1.312665187284632
Energy: 1.2252473746798747
Energy: 1.3130076196104983
Energy: 1.3131073119957835
Energy: 1.957247611006806
Energy: 1.3134677518798885
Energy: 1.3129105113967454
Energy: 1.3132610611792033
Energy: 1.3137058839951694
Energy: 1.3125026875138088
Energy: 1.7814148585047052
Energy: 1.2631058886878375
Energy: 1.2629866885404126
Energy: 1.22732863585582
Energy: 1.2625935178198897
Energy: 1.2256495893681394
Energy: 1.7792624995738344
Energy: 1.2628308176294405
Energy: 1.2253819823520762
Energy: 1.2259498207504922
Energy: 1.2622728179854623
Energy: 1.226356257616228
Energy: 2.378022457064384
Energy: 1.2627080955797356
Energy: 1.2629591039520325
Energy: 1.268514879353103
Energy: 1.261627839047392
Energy: 1.2629563066914855
Energy: 1.4999883730288546
Energy: 1.2636338019610616
Energy: 1.263533435402776
Energy: 1.2969504238571283
Energy: 1.2633771516841397
Energy: 1.2634143215341507
Energy: 1.4997290141511024
Energy: 1.2636307089324395
Energy: 1.263490790628886
Energy: 1.296105262810984
Energy: 1.3122287329283098
Energy: 1.2633522683161902
Energy: 1.5149161380536549
Energy: 1.2252152731164279
Energy: 1.3127304538854778
Energy: 1.3122119625295148
Energy: 1.2249410704562598
Energy: 1.311748831766631
Energy: 1.5080668125698924
Energy: 1.3121354470826674
Energy: 1.3127328762804362
Energy: 1.313978462904972
Energy: 1.3130664910262757
Energy: 1.312724498247386
Energy: 1.512580001895557
Energy: 1.3122359802770247
Energy: 1.3121199841058573
Energy: 1.312381440591659
Energy: 1.3118049753321246
Energy: 1.311978597698026
Energy: 1.4378541990734925
Energy: 1.2261913715933326
Energy: 1.2257686984948755
Energy: 1.2384690462687848
Energy: 1.227158841117509
Energy: 1.2260043424830402
Energy: 1.2625668744044691
Energy: 1.2638400240088272
Energy: 1.263954899076534
Energy: 1.2625130641200837
Energy: 1.2231347539111654
Energy: 1.2633918847659036
Energy: 1.2632617633347423
Energy: 1.2639319450144835
Energy: 1.263909601497276
Energy: 1.2632241343915531
Energy: 1.26347646231681
Energy: 1.2633792344138388
Energy: 1.4360175500159271
Energy: 1.2968936043045067
Energy: 1.2964654368423165
Energy: 1.4360694642941854
Energy: 1.3082589966701912
Energy: 1.2630089347838578
Energy: 1.969492142877553
Energy: 1.3117602797713679
Energy: 1.3116344627731595
Energy: 1.312821345905191
Energy: 1.263336480976163
Energy: 1.2628891445305541
Energy: 1.2248872504597272
Energy: 1.3122399120772295
Energy: 1.312359888999984
Energy: 1.224993295909115
Energy: 1.3127298345137814
Energy: 1.31189521754473
Energy: 1.9713305712176987
Energy: 1.3123022756840503
Energy: 1.3118369282030795
Energy: 1.3122809741522783
Energy: 1.3128433018360444
Energy: 1.311324213390859
Energy: 2.2285206530354826
Energy: 1.2629310919358248
Energy: 1.225300771385797
Energy: 1.2254933503827825
Energy: 1.2623653434608415
Energy: 1.2259060499701044

minimum gb energy = 1.2231347539111654 eV
minimum distance =  2.36877874613761 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.5160944670607341
Energy: 1.296121403577907
Energy: 1.4831787089625443
Energy: 1.2059172749345655
Energy: 1.296126213937886
Energy: 2.8274744331403947
Energy: 1.7505390023441596
Energy: 1.2952510011947809
Energy: 1.2955066740268149
Energy: 1.2499093156040177
Energy: 1.2952405551673971
Energy: 1.2956014339853668
Energy: 2.413877156001911
Energy: 1.2854678998735232
Energy: 1.2864239791476981
Energy: 1.181415274654481
Energy: 1.2851844955318978
Energy: 1.285677475788309
Energy: 2.4324315632065936
Energy: 1.2850248609315056
Energy: 1.2603694155767005
Energy: 1.180952879634748
Energy: 1.2478406578575199
Energy: 1.2217054133083383
Energy: 1.7506247800434385
Energy: 1.1275013016055073
Energy: 1.1821148051221932
Energy: 1.2857855406034333
Energy: 1.1273971567795988
Energy: 1.2607308393847916
Energy: 1.2846162702561634
Energy: 1.1277006179098554
Energy: 1.1269230637056884
Energy: 1.28474582527782
Energy: 1.1274865146070139
Energy: 1.126176257109384
Energy: 1.3010989739972896
Energy: 1.2061524507653414
Energy: 1.208145267625207
Energy: 1.3010607747278373
Energy: 1.1801753211437869
Energy: 1.3002563268510512
Energy: 1.2965277386549896
Energy: 1.2094757710327204
Energy: 1.254708472722507
Energy: 1.2965288644196609
Energy: 1.2093801497597934
Energy: 1.2554656412049998
Energy: 1.3570186595115732
Energy: 1.1767220764910644
Energy: 1.2064451135872891
Energy: 1.2951756758136113
Energy: 1.1752298523873421
Energy: 1.2959466854061825
Energy: 1.6124271135527406
Energy: 1.2153535817315477
Energy: 1.2155729460452578
Energy: 1.217561483631096
Energy: 1.181669167944285
Energy: 1.2191984836702514
Energy: 1.7039392794431558
Energy: 1.2937331404406485
Energy: 1.2961573372797173
Energy: 1.2173801438856902
Energy: 1.2942219884149035
Energy: 1.2992329593666616
Energy: 1.4983475129696688
Energy: 1.2860143131095128
Energy: 1.205925751160431
Energy: 1.2518806689943907
Energy: 1.2857080108655339
Energy: 1.2059460708419578

minimum gb energy = 1.126176257109384 eV
minimum distance =  2.34910794748074 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.6174176932541555
Energy: 1.1216213025212496
Energy: 1.2347284141138677
Energy: 2.3788284239765387
Energy: 2.575664564776847
Energy: 2.3442652342351513
Energy: 1.1576149230361497
Energy: 1.1225815599053337
Energy: 1.1219850453294495
Energy: 1.1143289354203718
Energy: 1.1220892913349174
Energy: 1.1298416821216233
Energy: 1.3218041038573647
Energy: 1.118157656042625
Energy: 1.1183802960775044
Energy: 1.1215469215449343
Energy: 1.1222498989137633
Energy: 1.1151243801630928
Energy: 1.7502149932980295
Energy: 1.0746855267531483
Energy: 1.0765148665375155
Energy: 1.1183681423187628
Energy: 1.1370642540981315
Energy: 1.1240354825649304
Energy: 1.3504878595164926
Energy: 1.119747051769808
Energy: 1.1039482520881847
Energy: 1.1792384471046684
Energy: 1.1193946381339865
Energy: 1.2119574070912627
Energy: 1.179874138738187
Energy: 1.0733570030774116
Energy: 1.102849582240481
Energy: 1.179654079415084
Energy: 1.0791166966482542
Energy: 1.2009264843662977
Energy: 1.1716141759101681
Energy: 1.086439186360639
Energy: 1.0871130760887127
Energy: 1.1726572476025077
Energy: 1.0860404245929751
Energy: 1.172036170209036
Energy: 1.1723661013176216
Energy: 1.117185330439954
Energy: 1.1026918919361415
Energy: 1.1718219737721913
Energy: 1.1167872230114104
Energy: 1.1743349893315873
Energy: 1.3790339998412278
Energy: 1.118266610633683
Energy: 1.1140132697415153
Energy: 1.1704347789884342
Energy: 1.1484336202090657
Energy: 1.21285746416283
Energy: 1.9510660882297233
Energy: 1.1464244607334657
Energy: 1.1412639410991765
Energy: 1.0777958239787986
Energy: 1.1700715001774864
Energy: 1.132174068914156
Energy: 1.9646636256092826
Energy: 1.1729139569522238
Energy: 1.173094992403612
Energy: 1.0799760320003875
Energy: 1.1738902693383972
Energy: 1.2085717890236327
Energy: 1.2505748312039042
Energy: 1.1790688241502727
Energy: 1.1781328294419868
Energy: 1.097842643344511
Energy: 1.1730037055830194
Energy: 1.2112843633595531
Energy: 2.5148739185716846
Energy: 1.1618268157695506
Energy: 1.179546376460816
Energy: 2.177321705375653
Energy: 1.1788372210341913
Energy: 1.11115012881974
Energy: 1.250616106808372
Energy: 1.1737363940011905
Energy: 1.2025021051280553
Energy: 1.097440924025545
Energy: 1.1741927661516494
Energy: 1.1306942148484707
Energy: 1.1196527429113152
Energy: 1.166437358156589
Energy: 1.1526099864018047
Energy: 1.1235651082999234
Energy: 1.1541864423293153
Energy: 1.1160789720236897
Energy: 1.1247306634514391
Energy: 1.0749419254910753
Energy: 1.0918677915057091
Energy: 1.1234518561291402
Energy: 1.1437921058867557
Energy: 1.1219490077884404
Energy: 1.1272270550649122
Energy: 1.0952635111827806
Energy: 1.1177446286616157
Energy: 1.1268730886670468
Energy: 1.0951948083934118
Energy: 1.1224231518573824
Energy: 1.221373451078544
Energy: 1.1147573361149685
Energy: 1.181832961397482
Energy: 1.1289037672878277
Energy: 1.1119844278335027
Energy: 1.1813150397648162
Energy: 1.4346041202797841
Energy: 1.1123166605814425
Energy: 1.0787237249151933
Energy: 1.1180042885763122
Energy: 1.075089603652704
Energy: 1.102047552582533
Energy: 1.3280798067693553
Energy: 1.1131590221458931
Energy: 1.1146125097889374
Energy: 1.1129825130608633
Energy: 1.1138670550433554
Energy: 1.1006253065445302
Energy: 1.294868714950526
Energy: 1.1170158274154294
Energy: 1.1207914426780712
Energy: 1.1276210042929822
Energy: 1.1166171498848507
Energy: 1.0835787074177827
Energy: 1.250959156913813
Energy: 1.1231741900863697
Energy: 1.179857549845217
Energy: 1.1249440595921405
Energy: 1.122932679236552
Energy: 1.2149590286698047
Energy: 1.2445588905026974
Energy: 1.1216305433508533
Energy: 1.1218963252152399
Energy: 1.1212068023229933
Energy: 1.1217089183045195
Energy: 1.1884861000554783
Energy: 1.2944490803359452
Energy: 1.1232662798393078
Energy: 1.1189832411389367
Energy: 1.143899095279726
Energy: 1.12482968520662
Energy: 1.13214478974389
Energy: 1.7862319134328977
Energy: 1.1179728319559064
Energy: 1.1054688583926386
Energy: 1.1624866244678524
Energy: 1.1182570723315155
Energy: 1.103069501579471
Energy: 1.2953557387016656
Energy: 1.0973407284150916
Energy: 1.0977552046402406
Energy: 1.1460706879945877
Energy: 1.0973434946628293
Energy: 1.1446232153918507
Energy: 1.3269206239211815
Energy: 1.0729970363729822
Energy: 1.1707797855758748
Energy: 1.3261446225334557
Energy: 1.0725968531016021
Energy: 1.1558603740049633
Energy: 1.1803736825350737
Energy: 1.086177710323193
Energy: 1.178113306635641
Energy: 1.1803941743180153
Energy: 1.097540957356751
Energy: 1.1779124316055034
Energy: 1.1726291586203712
Energy: 1.118525838344168
Energy: 1.0878225744812964
Energy: 1.1726687266171276
Energy: 1.1188976424601145
Energy: 1.1737774710233895
Energy: 1.153689632610586
Energy: 1.1167784157790062
Energy: 1.1024181956702264
Energy: 1.1076074825714255
Energy: 1.1156064002017665
Energy: 1.1405694901657426
Energy: 1.9921461319016378
Energy: 1.1474652744017846
Energy: 1.171329641177001
Energy: 1.1134634440321587
Energy: 1.1480930349300253
Energy: 1.1447197833963487
Energy: 1.9578658431202023
Energy: 1.1731030272210194
Energy: 1.1729610423641743
Energy: 1.0781360869340437
Energy: 1.1731769124688438
Energy: 1.1136440993247605
Energy: 1.1574678730984007
Energy: 1.1713831525511624
Energy: 1.1714079019580788
Energy: 1.1430340255840945
Energy: 1.1750185697928786
Energy: 1.1714853476934592
Energy: 2.3387194342435236
Energy: 1.1781224505240042
Energy: 1.1784240190349082
Energy: 1.1122966353974524
Energy: 1.1785690615519906
Energy: 1.0870891249839454
Energy: 1.1534460012081074
Energy: 1.1783808090315318
Energy: 1.1794937645825332
Energy: 1.119360023611456
Energy: 1.1781852639650485
Energy: 1.119151647346169
Energy: 1.1564896919257175
Energy: 1.1483456717462988
Energy: 1.1230866326094953
Energy: 1.1433670031808163
Energy: 1.1496344157632117
Energy: 1.0656460001790686
Energy: 1.1252447204935243
Energy: 1.1407759687485985
Energy: 1.0929344863313626
Energy: 1.1268949638806494
Energy: 1.1382898615109462
Energy: 1.118624822584619
Energy: 1.1211615853619035
Energy: 1.1132966617925084
Energy: 1.1316096923470853
Energy: 1.1213771874452176
Energy: 1.116918927493703
Energy: 1.1224384812550752
Energy: 1.121657115399486
Energy: 1.1089326895158604
Energy: 1.1132816802529397
Energy: 1.1217478458515382
Energy: 1.1163196087213323
Energy: 1.1809844753990948
Energy: 1.3739114295782648
Energy: 1.1152905610997166
Energy: 1.1166112755588364
Energy: 1.120982806192697
Energy: 1.1128814991000548
Energy: 1.0970546070634875
Energy: 1.296766859474419
Energy: 1.115565424760507
Energy: 1.0923197764990753
Energy: 1.2873026259561746
Energy: 1.1159207376896019
Energy: 1.113132612816719
Energy: 1.2956654593509833
Energy: 1.113282428159948
Energy: 1.1146778637800387
Energy: 1.113454771674634
Energy: 1.1126379945249785
Energy: 1.0869456632935919
Energy: 1.2444584475910547
Energy: 1.1220703886936418
Energy: 1.1216120626092578
Energy: 1.1212313374188276
Energy: 1.121902189317958
Energy: 1.1883759116610746

minimum gb energy = 1.0656460001790686 eV
minimum distance =  2.30149178131013 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.556468256347475
Energy: 3.7655170200752104
Energy: 0.5727879475713888
Energy: 0.5576728176654506
Energy: 3.6577444846197626
Energy: 0.5580164673878936
Energy: 1.6653230236139778
Energy: 0.6281840988032559
Energy: 0.5920048104100146
Energy: 0.6220494851106414
Energy: 0.6259344644573434
Energy: 0.6267396910762404
Energy: 0.693845172347093
Energy: 0.6327108627887478
Energy: 0.6332048045377277
Energy: 0.624706323448628
Energy: 0.6319742467941112
Energy: 0.5935543321064459
Energy: 0.6947351837077006
Energy: 0.6335441117235905
Energy: 0.6340490913394818
Energy: 0.6263966011240292
Energy: 0.6331056320517922
Energy: 0.6282261396181267
Energy: 0.6944520155452932
Energy: 0.5584300074040071
Energy: 0.5885548422783662
Energy: 0.6948102211685292
Energy: 0.5577726841753252
Energy: 0.5917093417177663
Energy: 3.3926050908638032
Energy: 0.5578100372531045
Energy: 0.55844278279924
Energy: 3.3996949083261403
Energy: 0.5578889935069965
Energy: 0.5883127894427408
Energy: 0.6217156033999355
Energy: 0.5876263877332697
Energy: 0.5898570513505805
Energy: 0.6224180608907204
Energy: 0.5857558902420109
Energy: 0.6286250396463868
Energy: 0.6342836069212996
Energy: 0.6363202556389034
Energy: 0.6315203883885092
Energy: 0.6337322225750399
Energy: 0.5907269732920375
Energy: 0.6385783742675456
Energy: 0.6857179140148427
Energy: 0.6289583004782854
Energy: 0.6294773568292565
Energy: 0.629174142765957
Energy: 0.6247863306388965
Energy: 0.6298380737719451
Energy: 0.5571412216535331
Energy: 0.695130073806803
Energy: 0.5901791668281021
Energy: 0.5574670785817852
Energy: 0.6940142183521661
Energy: 0.5889547027804571
Energy: 0.5571457898391666
Energy: 0.6310506879631084
Energy: 0.5907798848991135
Energy: 0.5575686773439099
Energy: 3.404762771694393
Energy: 0.5885284548415148
Energy: 0.6875619807781082
Energy: 0.6267794718913077
Energy: 0.6374469227938262
Energy: 0.5865774014299955
Energy: 0.6241385371592872
Energy: 0.5927163058745372
Energy: 0.6966582250929744
Energy: 0.6908123499070689
Energy: 0.6918777423270229
Energy: 0.5899176389020111
Energy: 0.695745477290659
Energy: 0.6357001630319867
Energy: 0.686264806214519
Energy: 0.626893312327202
Energy: 0.630643413004342
Energy: 0.6261238299664849
Energy: 0.6245111459142481
Energy: 0.5926347971778081
Energy: 3.403055949452534
Energy: 0.5575229046331154
Energy: 0.5578139396390815
Energy: 3.4251062287788803
Energy: 0.560206460217995
Energy: 0.5591007260616907
Energy: 0.630097394598744
Energy: 0.5924486705094422
Energy: 0.6280567409122448
Energy: 0.6286740398905319
Energy: 0.5583333369438304
Energy: 0.5916015278183229
Energy: 0.6302609417759147
Energy: 0.6341354841288437
Energy: 0.594377586554918
Energy: 0.6308109743096669
Energy: 0.6253570500369583
Energy: 0.6337484365517077
Energy: 0.6906216362540788
Energy: 0.6347394300335899
Energy: 0.6302424376949783
Energy: 0.6913535688022826
Energy: 0.6289347216043497
Energy: 0.6317829036012133
Energy: 0.5574675197450606
Energy: 0.6305188380719596
Energy: 0.5908854358766448
Energy: 0.5579606774315153
Energy: 0.6880927315165363
Energy: 0.6269660351847404

minimum gb energy = 0.556468256347475 eV
minimum distance =  2.38723588372771 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 2.2053965162957665
Energy: 1.1168381364820468
Energy: 1.2727819090916659
Energy: 1.255933975211162
Energy: 4.000544967672057
Energy: 2.388932270450606
Energy: 0.9179314926428465
Energy: 0.9502547763339151
Energy: 0.9677692596715269
Energy: 0.9215201545558028
Energy: 0.9246561482575686
Energy: 0.9314396782306622
Energy: 0.922051504669297
Energy: 0.9427180548614705
Energy: 0.9316425709947479
Energy: 0.9235215551975463
Energy: 0.9180415962221186
Energy: 0.9394139540063071
Energy: 0.9209780379909865
Energy: 0.9567140893630963
Energy: 0.9603785277456555
Energy: 0.9224627483773463
Energy: 0.922848803433512
Energy: 0.9303093461552998
Energy: 0.9182225138678419
Energy: 1.0687891821954676
Energy: 1.0032383182636706
Energy: 0.9186588113788351
Energy: 1.0705220872373655
Energy: 0.9561575988124384
Energy: 1.2528598762514283
Energy: 0.9506746747731643
Energy: 1.023433191782771
Energy: 0.95021502398342
Energy: 0.9379595519907905
Energy: 0.9925839589733643
Energy: 1.3475248199865106
Energy: 0.9330984241141761
Energy: 0.938475998992915
Energy: 0.919422240606067
Energy: 0.9344353455669636
Energy: 0.9314268846526774
Energy: 0.940496773147083
Energy: 1.0332357242070025
Energy: 1.0347908599315967
Energy: 0.9416513957108966
Energy: 1.0323382134430974
Energy: 0.9306161036295453
Energy: 1.3576242053758947
Energy: 0.9304398553825959
Energy: 0.9550630492558835
Energy: 0.9758860290336814
Energy: 0.9204172954725596
Energy: 1.0270290323963513
Energy: 1.8930137946532297
Energy: 0.9939322578530236
Energy: 0.9943082948543622
Energy: 0.926105708403552
Energy: 0.9183605855426331
Energy: 0.9929320403296584
Energy: 1.6084245285118783
Energy: 1.0057536788895658
Energy: 0.9931270927574057
Energy: 1.0684180767987308
Energy: 0.9776069607834327
Energy: 1.002224865609929
Energy: 1.2516628590242282
Energy: 0.9006266262480408
Energy: 0.9316351115795682
Energy: 0.9784470188144234
Energy: 0.8972346251349534
Energy: 0.954593289761158
Energy: 1.1782463047712897
Energy: 0.8918380205343737
Energy: 0.9805953787872629
Energy: 1.1788335203948832
Energy: 0.8995226800825088
Energy: 0.9550537263986288
Energy: 1.0659961255524968
Energy: 0.99044262792025
Energy: 1.0704953951644205
Energy: 1.066136653837759
Energy: 0.9984575312808658
Energy: 1.0696027465238156
Energy: 1.0714168342266235
Energy: 1.0745861816010513
Energy: 1.0678196403197067
Energy: 1.065288238150427
Energy: 0.9455350302667457
Energy: 1.0681234207175627
Energy: 1.585098775378092
Energy: 1.0343403918547236
Energy: 1.0697378208461128
Energy: 1.0673903048875208
Energy: 1.0679308538219754
Energy: 1.0691729013290694
Energy: 1.7044410883480563
Energy: 0.9885284325165893
Energy: 0.9231466487264209
Energy: 0.9061044079683668
Energy: 1.0699032219449267
Energy: 0.9202931376696325
Energy: 1.9333935854830593
Energy: 0.9866202034584486
Energy: 0.9916360184639289
Energy: 0.9466399465954454
Energy: 1.070138154330518
Energy: 1.0702684327415872
Energy: 1.8593134385153733
Energy: 0.9347131630798217
Energy: 0.9483881073732616
Energy: 0.9201483772626967
Energy: 1.170332526075551
Energy: 1.0028174708421844
Energy: 1.1556479382435236
Energy: 1.230981170400721
Energy: 0.9479352910545218
Energy: 0.9195688225218627
Energy: 1.2175028861218078
Energy: 0.935941541899393
Energy: 1.672886814768414
Energy: 1.03461015064153
Energy: 1.0051231701286265
Energy: 0.9204210361822799
Energy: 1.193049147509748
Energy: 1.0013543480469058
Energy: 0.9246095481625239
Energy: 0.9791407036051525
Energy: 0.9195830969381288
Energy: 0.9589179289938569
Energy: 0.9780118521818334
Energy: 1.00175647898463
Energy: 0.9215872933556282
Energy: 1.013803029215077
Energy: 0.9907311221522835
Energy: 0.9220428577306101
Energy: 1.0053710626097763
Energy: 1.0014484853932524
Energy: 1.0300989812376178
Energy: 0.9357307452575411
Energy: 0.9469138594814577
Energy: 1.0272817503726404
Energy: 0.925614287499463
Energy: 0.9324651816295246
Energy: 0.918897604124368
Energy: 0.9319672559185287
Energy: 0.9288617265139675
Energy: 0.9477594142794922
Energy: 0.92344751857289
Energy: 0.9482936870462693
Energy: 1.5657562295231395
Energy: 0.9726886774122725
Energy: 0.947836365819985
Energy: 1.1936732760422941
Energy: 0.9194719962983313
Energy: 0.9197552249898812

minimum gb energy = 0.8918380205343737 eV
minimum distance =  2.35170080345388 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.2739203038096782
Energy: 1.2377145636732119
Energy: 1.0427936445660229
Energy: 2.239984046154538
Energy: 1.274468858916861
Energy: 1.4466513924334612
Energy: 1.0205766243059629
Energy: 1.0339570094444617
Energy: 1.0237414038823816
Energy: 1.0096947824364755
Energy: 1.0005413992848018
Energy: 1.0225650126501462
Energy: 1.0005406439857532
Energy: 1.0061408393854798
Energy: 1.0043497766503313
Energy: 1.000991603972484
Energy: 1.0029531544056594
Energy: 1.0017191797431153
Energy: 1.0020080137689356
Energy: 1.0464125441516012
Energy: 1.0237666724675198
Energy: 1.0023979693498066
Energy: 1.0200081559550631
Energy: 1.0014049109760732
Energy: 0.9999214146662191
Energy: 1.1314996415333887
Energy: 1.048373539693793
Energy: 1.0005492190570096
Energy: 1.008864885780146
Energy: 1.023498004427077
Energy: 1.4396128160349768
Energy: 1.026511869673611
Energy: 1.0246551882342374
Energy: 1.0392871827794152
Energy: 1.0003770678810067
Energy: 1.0531989116199973
Energy: 1.6258524058322514
Energy: 1.0051205304729485
Energy: 1.002259091301517
Energy: 1.0008514996190474
Energy: 1.037481715690127
Energy: 1.023518546141334
Energy: 1.0366614583904659
Energy: 1.1785418918697887
Energy: 1.1781140604230467
Energy: 1.0421046880931708
Energy: 1.1792225189862253
Energy: 0.9887976484494234
Energy: 1.4382733471685494
Energy: 1.106672829993393
Energy: 1.0251860294767687
Energy: 1.0525732846346638
Energy: 1.0103393387784168
Energy: 1.023890064128827
Energy: 1.6157570395457708
Energy: 1.1310300060998442
Energy: 1.04601299755833
Energy: 1.002197131028398
Energy: 1.1310785644767867
Energy: 1.024950536060778
Energy: 1.6242647576846252
Energy: 1.0455186755825752
Energy: 1.0450262414436893
Energy: 1.0030129573458553
Energy: 1.0090884884392968
Energy: 1.047658233781762
Energy: 1.6494852415852717
Energy: 1.0005638868774134
Energy: 0.9612605365343052
Energy: 1.0290779657480893
Energy: 0.961796931836047
Energy: 1.0252718255304014
Energy: 1.12982530089848
Energy: 2.1265325838346487
Energy: 0.9615226601872219
Energy: 1.1298788877419221
Energy: 0.9619590946424355
Energy: 0.9619383239470766
Energy: 1.1272279215241496
Energy: 1.044256161405327
Energy: 1.0233917447075416
Energy: 1.013212861024619
Energy: 1.0368463788770197
Energy: 1.0228638547978748
Energy: 1.185844852197738
Energy: 1.0027558401493952
Energy: 1.001293931055773
Energy: 1.1864228549988372
Energy: 1.0030579877537182
Energy: 1.1868696749351595
Energy: 0.9997341656630949
Energy: 1.042320485265609
Energy: 1.0248253132453342
Energy: 1.0363280244062163
Energy: 1.0011236070794554
Energy: 1.0241467871957535
Energy: 2.2004428208763596
Energy: 1.0326820118605358
Energy: 1.0124634555703507
Energy: 0.9672514391500557
Energy: 1.0281831109444624
Energy: 1.3903186166884407
Energy: 1.0357522463009732
Energy: 1.0568520329889375
Energy: 1.0498311803941824
Energy: 1.175170049221775
Energy: 1.0007680976854678
Energy: 1.012313116359778
Energy: 1.0021862880356829
Energy: 1.0059010137778261
Energy: 1.0042935923447678
Energy: 1.001773578229571
Energy: 1.0010216588280783
Energy: 1.0238099629698527
Energy: 1.0003744841620144
Energy: 1.00368297575851
Energy: 1.0013204177142552
Energy: 1.0012342320844088
Energy: 1.0016761418266769
Energy: 1.0021058588384641
Energy: 0.9993714824998365
Energy: 1.0033170748773204
Energy: 1.0024549464386359
Energy: 0.9999460703573759
Energy: 1.0040823527387264
Energy: 1.0231590741709378
Energy: 1.5538720681568579
Energy: 1.1550000824517783
Energy: 1.1543600937159044
Energy: 1.2696023865515653
Energy: 1.0254777935680472
Energy: 1.129236657177445
Energy: 1.6329319866729515
Energy: 1.0023907630377449
Energy: 1.0244677609134452
Energy: 1.0000964846871614
Energy: 1.0033598173939116
Energy: 1.0230985672458934
Energy: 1.036467564301144
Energy: 1.2095178992230362
Energy: 1.1361352978029193
Energy: 1.039924308431158
Energy: 1.1878861479455025
Energy: 0.9618271004571362
Energy: 1.6292301756951268
Energy: 1.0019310802719772
Energy: 1.0235830352587858
Energy: 1.001303765277089
Energy: 1.0091220126999776
Energy: 1.0255889620622332
Energy: 1.6395729427583308
Energy: 1.0367392773594282
Energy: 1.0328773940219567
Energy: 1.002642837602384
Energy: 1.0091019284392877
Energy: 1.0489465617976934
Energy: 1.639625880320947
Energy: 1.0365438923578183
Energy: 1.0533620890844215
Energy: 1.0024475238663118
Energy: 1.2253648006172386
Energy: 1.0236214800657024
Energy: 1.6585641412852934
Energy: 0.9885506667852799
Energy: 1.1316367401112177
Energy: 1.0090609033924092
Energy: 0.9610808463005697
Energy: 1.043334408635591
Energy: 1.130960630354847
Energy: 0.962176750951162
Energy: 0.9615045340486167
Energy: 1.1313140127873984
Energy: 0.9619853197590094
Energy: 1.1660106316899985
Energy: 1.1257849679890568
Energy: 1.1401254008117663
Energy: 1.11171918554628
Energy: 1.1262574431441799
Energy: 1.14074591196213
Energy: 1.1304760008317776
Energy: 1.1312208155224572
Energy: 1.004257657857262
Energy: 1.002602133679756
Energy: 1.1338307008795192
Energy: 1.0024526856956237
Energy: 1.0182716730086598
Energy: 1.0001848764493517
Energy: 1.0172114249048538
Energy: 1.0243387088282598
Energy: 1.0503009191986623
Energy: 1.001690620969144
Energy: 1.0286892538542611
Energy: 2.1820552431635565
Energy: 1.0572304431302355
Energy: 1.0122325486527777
Energy: 0.9669783407060617
Energy: 1.0016907690911319
Energy: 1.0123122736348849

minimum gb energy = 0.9610808463005697 eV
minimum distance =  2.35299196646742 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.353951228198107
Energy: 2.6315977298164057
Energy: 1.260710390492328
Energy: 1.0715336793201622
Energy: 3.0450060009468527
Energy: 1.0798462246853284
Energy: 1.1074445257473726
Energy: 1.0875700526911263
Energy: 1.0993512604432263
Energy: 1.1062293321044692
Energy: 1.0903439789132294
Energy: 1.0980875418237968
Energy: 1.089098957372648
Energy: 1.068245940748968
Energy: 1.0658982365660037
Energy: 1.0900463152316815
Energy: 1.1084335318810583
Energy: 1.0663993288955516
Energy: 1.088721421620066
Energy: 1.1005153112780375
Energy: 1.0657933901943282
Energy: 1.0892343823967472
Energy: 1.0672513682419715
Energy: 1.0750032628303037
Energy: 1.0894705112016534
Energy: 1.0776526925297711
Energy: 1.0680017000980133
Energy: 1.0904006523171557
Energy: 1.087465221598109
Energy: 1.099706385709478
Energy: 1.119223903634461
Energy: 1.0717808343303479
Energy: 1.072089855739274
Energy: 1.209503838298218
Energy: 1.0894188644421627
Energy: 1.0383836322935494
Energy: 1.9396299399055525
Energy: 1.0736349498050197
Energy: 1.073740204115146
Energy: 1.0884778260856707
Energy: 1.1096063658751836
Energy: 1.0377020040501757
Energy: 1.1339092396552704
Energy: 1.16116893326006
Energy: 1.0701807516901436
Energy: 1.1642910701053535
Energy: 1.1608547287273903
Energy: 1.0392101491414583
Energy: 1.1408632726236656
Energy: 1.0358084571038462
Energy: 1.0741098371785944
Energy: 1.1855578542455598
Energy: 1.0387496314250473
Energy: 1.0735021937433342
Energy: 1.9427498479517198
Energy: 1.1058847085029782
Energy: 1.0684368948518277
Energy: 1.0892377318338025
Energy: 1.109439696199592
Energy: 1.065715591859269
Energy: 1.9320646631597902
Energy: 1.1002233338243654
Energy: 1.067139344617861
Energy: 1.0878859697182102
Energy: 1.0742475764773205
Energy: 1.0718792934710173
Energy: 1.1393830280701407
Energy: 1.0342892385560873
Energy: 1.0330204205480502
Energy: 1.0894684927640337
Energy: 1.0337617379863229
Energy: 1.033926442733578
Energy: 1.0886221453899292
Energy: 1.0333106742980978
Energy: 1.0345349115131484
Energy: 1.0894461292737296
Energy: 1.0339616719834914
Energy: 1.033259645733392
Energy: 1.0953479488117497
Energy: 1.0669512672106298
Energy: 1.0700546810628386
Energy: 1.0968190441866938
Energy: 1.1086472040579143
Energy: 1.0692460463128488
Energy: 1.0347724720539058
Energy: 1.0662088747310356
Energy: 1.0658327113314874
Energy: 1.107974264688485
Energy: 1.0661045552969208
Energy: 1.067144351946159
Energy: 1.0892612044540482
Energy: 1.0878772557705425
Energy: 1.0656645220967116
Energy: 1.1483256772438568
Energy: 1.092886751440999
Energy: 1.065314605617579
Energy: 1.593511859057357
Energy: 1.1652588988300112
Energy: 1.041828738633146
Energy: 1.4694836508205171
Energy: 1.1655368953153553
Energy: 1.0729862585919936
Energy: 1.9142133804046984
Energy: 1.1263987156563542
Energy: 1.1430023957895434
Energy: 1.0990409800671863
Energy: 1.090498469311222
Energy: 1.0372105925641877
Energy: 1.074903804040675
Energy: 1.1637793841040396
Energy: 1.0371076204361067
Energy: 1.0372490711688334
Energy: 1.1363950496958792
Energy: 1.0668777993406304
Energy: 1.0388173302119865
Energy: 1.1640124230133202
Energy: 1.0348399236874277
Energy: 1.038501044455449
Energy: 1.1360390492453398
Energy: 1.0676248812925175
Energy: 1.0376018593773118
Energy: 1.0356424142683982
Energy: 1.0394519486701526
Energy: 1.0364103410265442
Energy: 1.0999990960455726
Energy: 1.0730662412347376
Energy: 1.1688756931301947
Energy: 1.0769857599466515
Energy: 1.1098881291260723
Energy: 1.1674827593898345
Energy: 1.105633383013704
Energy: 1.0668508434286914
Energy: 1.8502501927601844
Energy: 1.141400193289029
Energy: 1.065591338484971
Energy: 1.0354780716689493
Energy: 1.1261747524408972
Energy: 1.0372197042660902
Energy: 1.1367631698943623
Energy: 1.4572784897927133
Energy: 1.1120789289053128
Energy: 1.0361784545584083
Energy: 1.4365358334909377
Energy: 1.0375341764577488
Energy: 2.6573717414039084
Energy: 1.1094835240580305
Energy: 1.0994374660814579
Energy: 1.0953874582077974
Energy: 1.0883539752877094
Energy: 1.0660736383883085
Energy: 1.0887770479525725
Energy: 1.1083430535493135
Energy: 1.068917213707586
Energy: 1.0893619075839969
Energy: 1.0927080467948362
Energy: 1.0671329475233275
Energy: 1.0892152177375807
Energy: 1.072180845836171
Energy: 1.0999135265715034
Energy: 1.0894870455978511
Energy: 1.0904577577116383
Energy: 1.068933468049599
Energy: 1.0873699359472542
Energy: 1.0735335573100286
Energy: 1.0676456085053347
Energy: 1.0887707707875318
Energy: 1.0994319133496728
Energy: 1.0982878256337048
Energy: 1.2061914181463074
Energy: 1.0389722084213049
Energy: 1.1114633050742724
Energy: 1.119121141996549
Energy: 1.0720895603959426
Energy: 1.1112125485205497
Energy: 1.1395612101842518
Energy: 1.0743304349588727
Energy: 1.0676597525342593
Energy: 1.1262968136311855
Energy: 1.074949100156762
Energy: 1.065197336769393
Energy: 1.1340684910672911
Energy: 1.1664802876648075
Energy: 1.0709451920366404
Energy: 1.1648509865978323
Energy: 1.16494725223697
Energy: 1.0346969715222207
Energy: 1.1377054864508447
Energy: 1.036496181114544
Energy: 1.073470428971488
Energy: 1.163503717341233
Energy: 1.039531157001661
Energy: 1.0737842793481933
Energy: 1.1398193564992467
Energy: 1.0752621537241418
Energy: 1.074062089979953
Energy: 1.0884713500953442
Energy: 1.0383735757730852
Energy: 1.0668830549984896
Energy: 1.9523385858503526
Energy: 1.0687473737757125
Energy: 1.066589602174777
Energy: 1.0883684223881593
Energy: 1.038303352379179
Energy: 1.0665528204649835
Energy: 1.1420136026497498
Energy: 1.074233528121259
Energy: 1.034534122315063
Energy: 1.0876016102957748
Energy: 1.0364993537602536
Energy: 1.0371869596142944
Energy: 1.0902043533514292
Energy: 1.035545985341941
Energy: 1.0367578668710915
Energy: 1.1657058035520202
Energy: 1.036818070279837
Energy: 1.0343183885912508
Energy: 1.0904664571623246
Energy: 1.112988195278214
Energy: 1.0670207877646338
Energy: 1.0922969839134598
Energy: 1.0667345855541914
Energy: 1.0658256587872568
Energy: 1.0798243526417446
Energy: 1.0666525157135436
Energy: 1.0664948178332359
Energy: 1.080085516551151
Energy: 1.1096877979319935
Energy: 1.1075930156417106
Energy: 1.0910138887745862
Energy: 1.1099836630044773
Energy: 1.0674363762350823
Energy: 1.1168898778664724
Energy: 1.0889247238785482
Energy: 1.0681162699740239
Energy: 1.9749376580713252
Energy: 1.0912539081544677
Energy: 1.123947456951851
Energy: 1.0875397309890535
Energy: 1.0929253015163316
Energy: 1.0392324564575497
Energy: 1.921874334771887
Energy: 1.1240209784527568
Energy: 1.11799561639632
Energy: 1.0871420571353252
Energy: 1.0899200359100312
Energy: 1.0383274267195086
Energy: 1.0867993385705201
Energy: 1.161915077884224
Energy: 1.1061964493940335
Energy: 1.0386827099501184
Energy: 1.1347660806765036
Energy: 1.0408987092983275
Energy: 1.0389340510038254
Energy: 1.163480180068585
Energy: 1.0377874138328842
Energy: 1.0383809650888136
Energy: 1.1642350176048193
Energy: 1.0377032309224092
Energy: 1.0364102610753685
Energy: 1.1692058116781532
Energy: 1.0734944394401589
Energy: 1.037169718052498
Energy: 1.10885951707269
Energy: 1.0731011363228382
Energy: 1.161422043763424
Energy: 1.0652306746946922
Energy: 1.1097910650646143
Energy: 1.1621225015949603
Energy: 1.072771916012571
Energy: 1.111872869040541
Energy: 1.0891655251975725
Energy: 1.1431844231453108
Energy: 1.0660509029723022
Energy: 1.0732800246634724
Energy: 1.0870849601158004
Energy: 1.0679026271825074
Energy: 2.7101245097176347
Energy: 1.1873391671193483
Energy: 1.1038743164112013
Energy: 1.033543699341572
Energy: 1.4579209896508967
Energy: 1.0335301083116422

minimum gb energy = 1.0330204205480502 eV
minimum distance =  2.34670699956005 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.571457537010713
Energy: 3.2346600496440714
Energy: 1.1469122571865311
Energy: 1.1433355517002173
Energy: 1.1814635611471787
Energy: 1.1448132945650842
Energy: 1.1757473205882294
Energy: 1.1393090837212254
Energy: 1.137429166240693
Energy: 1.1762516896106943
Energy: 1.1734362528050015
Energy: 1.1369563599018562
Energy: 1.1801350372279054
Energy: 1.1130100796048878
Energy: 1.1397904943806627
Energy: 1.139907005330551
Energy: 1.1129027119544201
Energy: 1.1413469420467857
Energy: 1.1748784166919337
Energy: 1.1373326220231794
Energy: 1.1382492959112707
Energy: 1.1745578999003
Energy: 1.1407522645116817
Energy: 1.1376775991616666
Energy: 1.1729251513281485
Energy: 1.1388152037769312
Energy: 1.1399542599564578
Energy: 1.1734613777043565
Energy: 1.1385628762633395
Energy: 1.1403105083809102
Energy: 1.182371017064674
Energy: 1.1589493548893894
Energy: 1.1461616703651036
Energy: 1.1818550258676082
Energy: 1.159211354461014
Energy: 1.1799332444646575
Energy: 1.234771691068149
Energy: 1.1388541286341594
Energy: 1.1368967590836907
Energy: 1.234612510156063
Energy: 1.173165216104884
Energy: 1.135894386445634

minimum gb energy = 1.1129027119544201 eV
minimum distance =  2.37095339981135 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.2437939734456815
Energy: 1.4011699894713716
Energy: 1.2714744558131348
Energy: 1.2704697484299738
Energy: 1.400995522997738
Energy: 1.3103974984065763
Energy: 1.2911703662199268
Energy: 1.2719337651280163
Energy: 1.271469445098898
Energy: 1.30081690379558
Energy: 1.3653163054835518
Energy: 1.247686986226804
Energy: 1.5145998874942315
Energy: 1.2609910597251213
Energy: 1.261517773848206
Energy: 1.4479621993596137
Energy: 1.2627731723938413
Energy: 1.2386864114706793
Energy: 1.2987992236081367
Energy: 1.224463893289612
Energy: 1.297655233294189
Energy: 1.3011050541225706
Energy: 1.260678852775974
Energy: 1.29330990056171
Energy: 1.3040821401492928
Energy: 1.2936566341072044
Energy: 1.2962241241764658
Energy: 1.3061728712693832
Energy: 1.353655745678321
Energy: 1.2962355572302167
Energy: 1.2925465459714196
Energy: 1.2970651027527935
Energy: 1.435047944068479
Energy: 1.294879724215094
Energy: 1.7962793248409632
Energy: 1.3296490361112063
Energy: 1.3521739848971859
Energy: 1.4283914683413355
Energy: 1.4635503307608415
Energy: 1.3514124974263213
Energy: 1.4001285482277357
Energy: 1.3675070018714588
Energy: 2.1034939312764016
Energy: 1.4029100097330325
Energy: 1.2947872872350532
Energy: 1.2651945646310088
Energy: 2.606918386311227
Energy: 1.2878325935526087
Energy: 1.3127439029009456
Energy: 1.3058251028099896
Energy: 1.3275307145397583
Energy: 1.3954265589597832
Energy: 1.3085472643993397
Energy: 1.3265810779466212
Energy: 1.5222603908388022
Energy: 1.2671896789106403
Energy: 1.2669540394139691
Energy: 1.4351776228725703
Energy: 1.2657338886376492
Energy: 1.3143780085089398
Energy: 1.448581406120635
Energy: 1.3604672312260109
Energy: 1.362378815428616
Energy: 1.4511360679087368
Energy: 1.268232761986925
Energy: 1.4330593855166596
Energy: 1.5881390850012305
Energy: 1.3087107767943955
Energy: 1.3063974812541619
Energy: 1.3974946797366274
Energy: 1.3431019029246092
Energy: 1.3069397185617362
Energy: 1.305594387644623
Energy: 1.301862828880815
Energy: 1.3011474530042024
Energy: 1.2597793219396258
Energy: 1.3005804819417188
Energy: 1.3010412515255456
Energy: 2.0633995092652713
Energy: 1.3038172848916014
Energy: 1.298057650582315
Energy: 1.5451585200027105
Energy: 1.2996368248432835
Energy: 1.2976079049715747
Energy: 1.362957170863809
Energy: 1.3059780485408192
Energy: 1.544135954267211
Energy: 1.2581680760650051
Energy: 1.307210651211119
Energy: 1.3060059007549436
Energy: 1.6345775429555571
Energy: 1.3066968245348556
Energy: 1.3069007209863845
Energy: 1.5207162733517174
Energy: 1.321782514681436
Energy: 1.394051950758072
Energy: 1.5154401120964978
Energy: 1.2813771748571847
Energy: 1.2812456485885417
Energy: 1.5174697666142702
Energy: 1.2641951283210393
Energy: 1.359485400000552
Energy: 1.4873775204140407
Energy: 1.292633569929956
Energy: 1.3384917297473826
Energy: 1.5392374563910354
Energy: 1.3249961930132217
Energy: 1.403508521538089
Energy: 2.3876474992738976
Energy: 1.341615990131769
Energy: 1.3028849142079275
Energy: 1.263470565311517
Energy: 1.37350355639168
Energy: 1.2623536118988905
Energy: 1.958644191037539
Energy: 1.3324180051844552
Energy: 1.4392457152877387
Energy: 1.2657305001438512
Energy: 1.3287171540685336
Energy: 1.2637421564804974
Energy: 1.315647060240798
Energy: 1.388217136896205
Energy: 1.3803337729979306
Energy: 1.3391345554011105
Energy: 1.3736157425553415
Energy: 1.375369217143347
Energy: 1.3173084218683095
Energy: 1.509668128614184
Energy: 1.3476677063238627
Energy: 1.32312334706416
Energy: 1.548678394527233
Energy: 1.3477278524752263
Energy: 1.3273148303816333
Energy: 1.3753004012455579
Energy: 1.3426591691795222
Energy: 1.3297758532727733
Energy: 1.389402872442865
Energy: 1.3370343264992777
Energy: 1.320626994483491
Energy: 1.2623135863310888
Energy: 1.2625266834682678
Energy: 1.3207610808589108
Energy: 1.2621406488146087
Energy: 1.3219506502080716
Energy: 1.296510508621461
Energy: 1.3164305662584035
Energy: 1.3150334321480552
Energy: 1.3673893680753897
Energy: 1.3156353691311258
Energy: 1.3268015607683348
Energy: 2.087009902674138
Energy: 1.4892352050997841
Energy: 1.3618503819368544
Energy: 1.2240127564812004
Energy: 1.5268549638178086
Energy: 1.291944696295984
Energy: 1.2231998697988025
Energy: 1.6428143734909035
Energy: 1.3571369546942291
Energy: 1.222826994261193
Energy: 1.522379893191039
Energy: 1.2962172056960808
Energy: 1.3008149071309927
Energy: 1.3159053937574248
Energy: 1.3158014977814627
Energy: 1.357921330607166
Energy: 2.0507216909067942
Energy: 1.315972969816741
Energy: 1.2973287951102797
Energy: 1.2618315849005386
Energy: 1.260301895717361
Energy: 1.3027166921382203
Energy: 1.264519973353995
Energy: 1.297406775376104
Energy: 1.29223961268859
Energy: 1.372880848954582
Energy: 1.2928775852757524
Energy: 1.2947117438941262
Energy: 1.3539973278110808
Energy: 1.293243544908854
Energy: 1.292181977596687
Energy: 1.7938133009440136
Energy: 1.3081563898578061
Energy: 1.3045631229769148
Energy: 1.5059493724224189
Energy: 1.2917831817620165
Energy: 1.3007693735511756
Energy: 1.4035231981458454
Energy: 1.3759167649377462
Energy: 1.3320086773904156
Energy: 1.4648908332461836
Energy: 1.3675203998626342
Energy: 1.485220941352669
Energy: 1.4007995915562785
Energy: 1.3825173376157627
Energy: 1.2614675323749311
Energy: 1.3887520425376612
Energy: 1.2813204458563106
Energy: 2.5046118056476225
Energy: 1.419268795067183
Energy: 1.3468502845076658
Energy: 1.263423445896825
Energy: 1.4103167113003663
Energy: 1.345007041731819
Energy: 1.3148466621292125
Energy: 1.2618118430423402
Energy: 1.2640703045487591
Energy: 1.3846267399694447
Energy: 1.3348210062176056
Energy: 1.3660614796578598
Energy: 1.3923233393731778
Energy: 1.2647832411315822
Energy: 1.2675794022974458
Energy: 1.3935552451481767
Energy: 1.2646429257434701
Energy: 1.314374789828794
Energy: 1.5514576373099467
Energy: 1.3090069780746105
Energy: 1.3184366252379365
Energy: 1.4729579942475843
Energy: 1.3278037127821773
Energy: 1.306871058210735
Energy: 1.308306052866661
Energy: 1.2994423588003752
Energy: 1.5513063130885683
Energy: 1.2589806746239876
Energy: 1.2981479446158408
Energy: 1.3054768220749005
Energy: 1.5608570299980773
Energy: 1.2973901568370187
Energy: 1.2966857317702822
Energy: 1.3757774489828742
Energy: 1.302144308949142
Energy: 1.2961785471132277
Energy: 1.3625678362885683
Energy: 1.3018402168565355
Energy: 1.3017129794579632
Energy: 1.2566494845714569
Energy: 1.300747755396307
Energy: 1.3024842838071695
Energy: 2.08177016713189
Energy: 1.3143558989995292
Energy: 1.3134163303040836
Energy: 1.6042916306447688
Energy: 1.3306650815244159
Energy: 1.3055776330142181
Energy: 1.5306652006103403
Energy: 1.294186831609277
Energy: 1.336101736151393
Energy: 1.5314044369774729
Energy: 1.2631301886998811
Energy: 1.3680463990914231
Energy: 1.5447486830687178
Energy: 1.2647291428895002
Energy: 1.2834768494331146
Energy: 1.4751358846635518
Energy: 1.2635803085534032
Energy: 1.379124866099084
Energy: 1.483581475823091
Energy: 1.3060540266069096
Energy: 1.2988908075081464
Energy: 1.4346054329991411
Energy: 1.3021578674727097
Energy: 1.2990444329327746
Energy: 1.9978403972818932
Energy: 1.2348671355916983
Energy: 1.271859336498104
Energy: 1.3054081685894205
Energy: 1.323919220713493
Energy: 1.342420829849583
Energy: 1.3289540957517978
Energy: 1.3375079340121248
Energy: 1.4017718523466016
Energy: 1.3720419267149893
Energy: 1.3558882994701118
Energy: 1.3404759043195118
Energy: 1.3156394404151983
Energy: 1.567976164565402
Energy: 1.3347873392349026
Energy: 1.3316444768900866
Energy: 1.4688785549302423
Energy: 1.3605718896476484
Energy: 1.3389340996733494
Energy: 1.3252842608688886
Energy: 1.3292773281612127
Energy: 1.3170929882771396
Energy: 1.4578646069922274
Energy: 1.3267659684289048
Energy: 1.3169255481515676
Energy: 1.2605861860747927
Energy: 1.2959368019638495
Energy: 1.3197632090047864
Energy: 1.2598635832464848
Energy: 1.3355581616670456
Energy: 1.3026511740248028
Energy: 1.2616735281117089
Energy: 1.261405949258715
Energy: 1.223524292048015
Energy: 1.2609574734716844
Energy: 1.271907786082007
Energy: 1.2789673911484702
Energy: 1.287878310486274
Energy: 1.259041315107849
Energy: 1.2728896508015792
Energy: 1.3482512338288555
Energy: 1.2272024012209686

minimum gb energy = 1.222826994261193 eV
minimum distance =  2.32536874904042 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.8718601832870427
Energy: 1.2891528602623914
Energy: 1.213598902954486
Energy: 1.2199820005572275
Energy: 1.4484123792864674
Energy: 1.3482121160956486
Energy: 1.4184421930527087
Energy: 1.2792026878363558
Energy: 1.2176497473502494
Energy: 1.2511575167061788
Energy: 1.1833612693538256
Energy: 1.3128748730093536
Energy: 1.5663950926777428
Energy: 1.2784103751104716
Energy: 1.2779100944877277
Energy: 1.4106128706470822
Energy: 1.3325768021356972
Energy: 1.7369257231441433
Energy: 1.5031669335118925
Energy: 1.3527412349984815
Energy: 1.6638638100963565
Energy: 1.4417455605684555
Energy: 1.3389079730023714
Energy: 1.5965933269148709
Energy: 1.4429802715785411
Energy: 1.2158233227588016
Energy: 1.5596383892946863
Energy: 1.4464309614530115
Energy: 1.4762716472209556
Energy: 1.5400224763160566
Energy: 1.7983154243145723
Energy: 1.6299938113908885
Energy: 1.5795370680745917
Energy: 1.5695468383947861
Energy: 1.4760862205510838
Energy: 1.6043830675962774
Energy: 1.3643546160097104
Energy: 1.5027622878379863
Energy: 1.4960031980589052
Energy: 1.2990431103684912
Energy: 1.4803871620189035
Energy: 1.451965899498619
Energy: 1.4066214608822687
Energy: 1.6338719956182182
Energy: 2.0774041321039243
Energy: 1.2811769120280225
Energy: 1.9646089921244383
Energy: 1.301763864526431
Energy: 1.3029888664711704
Energy: 1.3423663065531584
Energy: 1.3488714548365999
Energy: 1.3002133335460635
Energy: 1.309156686588883
Energy: 1.2995244042913732
Energy: 1.3678774057182175
Energy: 1.2950261882348286
Energy: 1.2974274779068504
Energy: 1.3633173814577142
Energy: 1.2264676404134722
Energy: 1.230958707924783
Energy: 1.4385680062655364
Energy: 1.2981940425055671
Energy: 1.2978086558349105
Energy: 1.3799768709169844
Energy: 1.2307559542297186
Energy: 1.3848586028225376
Energy: 1.3671049427276873
Energy: 1.6089448396485857
Energy: 1.5957516043016495
Energy: 1.3161733685551544
Energy: 1.338294145563305
Energy: 1.4456797537623798
Energy: 1.3655460543875193
Energy: 1.4347287138634077
Energy: 1.3790365611021327
Energy: 1.3345025844132496
Energy: 1.464607166070077
Energy: 1.3241586206419602
Energy: 1.299826497820619
Energy: 1.3801677323288204
Energy: 1.2825331055170914
Energy: 1.529294566456458
Energy: 1.3832349133190052
Energy: 1.3846387526810415
Energy: 2.3387865682529623
Energy: 1.4466236835482444
Energy: 1.5302795139139165
Energy: 2.1792140108613305
Energy: 1.5236761666556236
Energy: 1.6455800665492462
Energy: 1.5034887889481927
Energy: 1.4706942280268567
Energy: 1.468994003779617
Energy: 1.504971291730005
Energy: 1.508111466363702
Energy: 1.475519647289564
Energy: 1.5272875358833795
Energy: 1.2808042526667676
Energy: 1.280712010064145
Energy: 1.649037756107811
Energy: 1.280665467053678
Energy: 1.3052477163932252
Energy: 1.4321253479224072
Energy: 1.5844513363139834
Energy: 1.4673334964433196
Energy: 1.487530243251555
Energy: 1.4668471439039694
Energy: 1.4823299615663739
Energy: 2.6598064317969126
Energy: 1.5623316068269946
Energy: 1.299101697973943
Energy: 1.300085446542157
Energy: 1.5789106558900203
Energy: 1.2994469438983094
Energy: 2.6589990345074015
Energy: 1.528784673838906
Energy: 1.2998672349219151
Energy: 1.2990817762108973
Energy: 1.4983492427715017
Energy: 1.299880629505477
Energy: 1.4614043822362128
Energy: 1.5317346454000427
Energy: 1.4846803168096676
Energy: 1.4832513639381348
Energy: 1.5184513021468393
Energy: 1.545968085177849
Energy: 1.7778525010355228
Energy: 1.2804220586512531
Energy: 1.278206605988618
Energy: 1.473908262238732
Energy: 1.2796839364761174
Energy: 1.283430607603369
Energy: 1.4581912899548153
Energy: 1.5465203704466768
Energy: 1.470201957215411
Energy: 1.4634820083828777
Energy: 1.5086600703901476
Energy: 1.473592223157701
Energy: 1.5361502677971905
Energy: 2.3624188463658036
Energy: 1.5703097046993943
Energy: 1.5474754127854258
Energy: 2.2866762386503363
Energy: 1.5594586073595769
Energy: 1.2997993657062503
Energy: 1.4209264600566833
Energy: 1.4626309124267807
Energy: 1.5378817856657803
Energy: 1.4171084262123186
Energy: 1.4565344786213015
Energy: 1.405235834260118
Energy: 1.5920005671565542
Energy: 1.483661085885169
Energy: 1.2803765072497064
Energy: 1.592019048523638
Energy: 1.4878889859660873
Energy: 1.3811243808608527
Energy: 1.506871437298609
Energy: 1.3990767602312433
Energy: 1.3619510149172656
Energy: 1.7351431331602432
Energy: 1.4063327505547034
Energy: 1.4941340816151507
Energy: 1.2302606939275536
Energy: 1.2996164281472742
Energy: 1.4088754596041684
Energy: 1.3068445364785246
Energy: 1.3273094980439233
Energy: 1.3044670652281969
Energy: 1.226085203883136
Energy: 1.2301904127215282
Energy: 1.3279486118022816
Energy: 1.2946465768559736
Energy: 1.2980156254518826
Energy: 1.3020366680892292
Energy: 1.2988544751308673
Energy: 1.298553037487309
Energy: 1.2998451373680644
Energy: 1.3238928308491822
Energy: 1.2996543335114137
Energy: 1.3656099934481254
Energy: 1.4520765728365688
Energy: 1.4438548407599985
Energy: 1.2966523311537506
Energy: 1.9247656340272112
Energy: 1.2825565314321385
Energy: 1.3049712664915591
Energy: 1.4692571246980999
Energy: 1.4092575276226504
Energy: 1.299740663421082
Energy: 1.4541609795755
Energy: 1.296308605255605
Energy: 2.3164809790503047
Energy: 1.6024241553047367
Energy: 1.5180681219882879
Energy: 1.4650087679290413
Energy: 1.6087733651536578
Energy: 1.588804014921243
Energy: 2.1619095113833264
Energy: 1.1630390250737537
Energy: 1.6588449515419479
Energy: 1.4819617288973344
Energy: 1.4811103299220643
Energy: 1.2187273418365383
Energy: 1.4439452895725535
Energy: 1.29566881667114
Energy: 1.4844680553096523
Energy: 1.3424578722320435
Energy: 1.2805261521735014
Energy: 1.3312912385494184
Energy: 1.711111579252776
Energy: 1.2799513522953374
Energy: 1.2802551616706486
Energy: 1.4563249581502944
Energy: 1.2959326397060957
Energy: 1.979921522081356
Energy: 1.5585880637042338
Energy: 1.279530810157403
Energy: 1.312497866017571
Energy: 1.2866521057333629
Energy: 1.4401042252801644
Energy: 1.3129477727288195
Energy: 2.8260128737885
Energy: 1.3011739286842956
Energy: 1.2164660691661424
Energy: 1.1902598686065147
Energy: 1.301150141906278
Energy: 1.3531963800341347

minimum gb energy = 1.1630390250737537 eV
minimum distance =  2.31599429097654 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.431566000096574
Energy: 1.5847498870768402
Energy: 1.3158580492342344
Energy: 1.26880532998084
Energy: 1.4862393763286834
Energy: 1.2686124994574213
Energy: 1.2120727883170694
Energy: 1.1992186910009979
Energy: 1.3420776944600228
Energy: 1.2131468977834774
Energy: 1.1985230978685821
Energy: 1.2131089791681338
Energy: 1.2062900051107086
Energy: 1.1844607513979764
Energy: 1.184214224171638
Energy: 1.315414940308919
Energy: 1.1848337796411703
Energy: 1.2142242360021964
Energy: 1.2126468024530779
Energy: 1.1842198660667527
Energy: 1.212798714011519
Energy: 1.2132434751581425
Energy: 1.1845789021799988
Energy: 1.2126194432226114
Energy: 1.2127472717403855
Energy: 1.2448766397210191
Energy: 1.2588602735802898
Energy: 1.2130951581857878
Energy: 1.2637253336963843
Energy: 1.2526289127547132
Energy: 1.868336070026726
Energy: 1.2533373237700427
Energy: 1.2639860464563448
Energy: 1.2582787724671278
Energy: 1.2467921171388854
Energy: 1.261770715532968
Energy: 1.2127203772109847
Energy: 1.2128167293614078
Energy: 1.212883252707029
Energy: 1.2125120063752322
Energy: 1.2130440476062616
Energy: 1.2132641305602743
Energy: 2.120628401670059
Energy: 1.2169149420205014
Energy: 1.2139734414618322
Energy: 1.1919737659018972
Energy: 1.2171232482256658
Energy: 1.216929709757323
Energy: 1.2037939625131555
Energy: 1.2132414529197226
Energy: 1.2137985584411128
Energy: 1.2035940129663898
Energy: 1.213031015562348
Energy: 1.2127937031182914
Energy: 1.5623903556173968
Energy: 1.2140544654675876
Energy: 1.3071475192975446
Energy: 1.3497689877858057
Energy: 1.2136135873988083
Energy: 1.312048344638903
Energy: 1.192547668834182
Energy: 1.2593839695949585
Energy: 1.24877419891199
Energy: 1.2046118843559128
Energy: 1.2797183954514044
Energy: 1.2665831902490259
Energy: 2.102970121262326
Energy: 1.2122844855933796
Energy: 1.212441153911705
Energy: 1.2372791713721487
Energy: 1.21188237561672
Energy: 1.2126841986744734
Energy: 2.1182000841892723
Energy: 1.2160027517069332
Energy: 1.2392933913367399
Energy: 1.1850937793984393
Energy: 1.214632336726019
Energy: 1.2383999590112749
Energy: 1.1919954873181755
Energy: 1.2975560451371717
Energy: 1.2854973400077465
Energy: 1.2044705674308636
Energy: 1.21379723362272
Energy: 1.2280771518801183
Energy: 1.1934838687835843
Energy: 1.2015809239429671
Energy: 1.3138651640997767
Energy: 1.2024200226559616
Energy: 1.2024320054344944
Energy: 1.2362728419737425
Energy: 1.1916758295864678
Energy: 1.2161458027425984
Energy: 1.190697229707786
Energy: 1.1903432610622153
Energy: 1.2728381698550684
Energy: 1.1904795399355328
Energy: 1.1927117619733378
Energy: 1.209483234338097
Energy: 1.2096575467929183
Energy: 1.1926817002805812
Energy: 1.215669439579919
Energy: 1.2100857805630905
Energy: 1.1925800306165373
Energy: 1.192679108370025
Energy: 1.2091064761062722
Energy: 1.193014163029897
Energy: 1.2170697632627654
Energy: 1.2088561988060678
Energy: 2.2234753312259667
Energy: 1.194254784820996
Energy: 1.1934993122820754
Energy: 1.2140644359707642
Energy: 1.1943238172204147
Energy: 1.211513264271771
Energy: 2.2270553054532183
Energy: 1.1954225096140931
Energy: 1.194151521323446
Energy: 1.212934162725515
Energy: 1.1946036851232484
Energy: 1.3048602629411654
Energy: 1.192104610053333
Energy: 1.21612941166551
Energy: 1.2511042909052952
Energy: 1.215247679687202
Energy: 1.2193885758241734
Energy: 1.1923135283142645
Energy: 1.3634318918942985
Energy: 1.2437198867395645
Energy: 1.2386065641426092
Energy: 1.3645099875548523
Energy: 1.1880105394545484
Energy: 1.2383891442126478
Energy: 1.2429596216270518
Energy: 1.1927065298918555
Energy: 1.2170461255046496
Energy: 1.2155393174999258
Energy: 1.216020901006084
Energy: 1.2176431385829602
Energy: 1.2583807819139183
Energy: 1.195419566790249
Energy: 1.1940594462410805
Energy: 2.03450805434618
Energy: 1.2094850746278785
Energy: 1.2100791260397352
Energy: 1.4063304768258746
Energy: 1.1916916387594887
Energy: 1.1915868474772207
Energy: 1.2162207212281189
Energy: 1.1921596722639645
Energy: 1.2082875973450393
Energy: 1.2669228891193627
Energy: 1.1921777512229086
Energy: 1.2176705824080603
Energy: 1.2184897925556823
Energy: 1.194388616938489
Energy: 1.209420512812211
Energy: 1.2655772361174307
Energy: 1.2006221646956259
Energy: 1.2002052062702553
Energy: 1.212919657317926
Energy: 1.2081130889778309
Energy: 1.21652463596152
Energy: 1.2940661954607793
Energy: 1.2724665744090726
Energy: 1.2965716051977343
Energy: 1.212640653667649
Energy: 1.2036385274445356
Energy: 1.212252390736425
Energy: 1.258409125626541
Energy: 1.2132980971870302
Energy: 1.2155422160088452
Energy: 1.217233559629433
Energy: 1.1903567651113043
Energy: 1.2136410975405476
Energy: 1.2127994282880081
Energy: 1.2671121642242473
Energy: 1.2727243644134065
Energy: 1.2254924857230582
Energy: 1.2062806666176518
Energy: 1.2127880480350848
Energy: 1.7593789480563249
Energy: 1.4192935348755755
Energy: 1.3150639020241999
Energy: 1.2412640916897741
Energy: 1.4180585419520393
Energy: 1.35788558977383

minimum gb energy = 1.184214224171638 eV
minimum distance =  2.29670072114149 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.6921253972139998
Energy: 2.615188369084723
Energy: 1.2745174053504784
Energy: 1.1841810607393375
Energy: 2.5044139588923455
Energy: 1.2756236532467131
Energy: 1.171226944501032
Energy: 1.1989290249526758
Energy: 1.2342019887027633
Energy: 1.2277853008399253
Energy: 1.2133006686400742
Energy: 1.2158380630515082
Energy: 1.1981497789264357
Energy: 1.1165026926828492
Energy: 1.1182697660781344
Energy: 1.1985371679340422
Energy: 1.1341665635182625
Energy: 1.1137708980488688
Energy: 1.1963128289677338
Energy: 1.1326500922804716
Energy: 1.1491878485172826
Energy: 1.1960315568615436
Energy: 1.1508198927375326
Energy: 1.194213788797052
Energy: 1.218684370493983
Energy: 1.17713693844063
Energy: 1.194165316093573
Energy: 1.2190609310882685
Energy: 1.1997041708296132
Energy: 1.1765013460771516
Energy: 1.1160874818969386
Energy: 1.1621300913548105
Energy: 1.1781527535327436
Energy: 1.173070413679325
Energy: 1.1966271893360756
Energy: 1.1806086861689677
Energy: 1.2008264949894543
Energy: 1.1965597055560548
Energy: 1.196729174003449
Energy: 1.2097872876899145
Energy: 1.1971910725572938
Energy: 1.19647325921076
Energy: 1.215923080298118
Energy: 1.1987638989937504
Energy: 1.2039384354654252
Energy: 1.1722954560165575
Energy: 1.198998548387424
Energy: 1.2180516469887857
Energy: 1.210835824534215
Energy: 1.2344931456994455
Energy: 1.2183654235888843
Energy: 1.2076440493117484
Energy: 1.2346386627674453
Energy: 1.217185141728127
Energy: 1.4481874859990302
Energy: 1.1901993296276403
Energy: 1.1904544386589924
Energy: 1.4494563308232895
Energy: 1.2128696289092338
Energy: 1.1914152109028675
Energy: 1.1922384993058732
Energy: 1.1936730863890026
Energy: 1.3348066265641472
Energy: 1.2092173500966044
Energy: 1.241019928980217
Energy: 1.1994282440916593
Energy: 1.1176588248540023
Energy: 1.1991645273926959
Energy: 1.2159528580459138
Energy: 1.1309048075452988
Energy: 1.2082885833439194
Energy: 1.2627531144232926
Energy: 1.1166394553176882
Energy: 1.1950972292072264
Energy: 1.2660625088940307
Energy: 2.4783212001741166
Energy: 1.2093228520161425
Energy: 1.2625319563403186
Energy: 1.1953631578722144
Energy: 1.234155083841986
Energy: 1.1959191875530046
Energy: 1.2253715069883413
Energy: 1.214062272600892
Energy: 1.1999868761084878
Energy: 1.19446596056217
Energy: 1.114512016778448
Energy: 1.115969605248854
Energy: 1.1951707199912545
Energy: 1.1142244493785778
Energy: 1.1622514117379583
Energy: 1.1982920061515328
Energy: 1.178678595800241
Energy: 1.181133413013968
Energy: 1.1992927836350848
Energy: 1.2364028448737439
Energy: 1.196002626587796
Energy: 1.2199982810345844
Energy: 1.1815868554279847
Energy: 1.172338878849874
Energy: 1.1967706371187266
Energy: 1.1804119129594515
Energy: 1.174988399724284
Energy: 1.2194908539171738
Energy: 1.1977755665166572
Energy: 1.19143784173449
Energy: 1.199323703571999
Energy: 1.198761127994631
Energy: 1.1795753583240396
Energy: 1.228791525618492
Energy: 1.193127973947579
Energy: 1.197512310209301
Energy: 1.2158840332742502
Energy: 1.1927369554673213
Energy: 1.2145108556561204
Energy: 1.2292746927075373
Energy: 1.1987805260392346
Energy: 1.215206640388539
Energy: 1.2154568203571177
Energy: 1.1943326387617408
Energy: 1.2150793743346382
Energy: 1.2087239120223918
Energy: 1.249501851273673
Energy: 1.235640484210114
Energy: 1.2091354488559543
Energy: 1.2475248286002238
Energy: 1.215958551003571
Energy: 1.330114556466637
Energy: 1.1919643599623244
Energy: 1.1915268417682494
Energy: 1.3307266682011059
Energy: 1.1910635735180461
Energy: 1.215245748905143
Energy: 1.1944654330092614
Energy: 1.2482565597617508
Energy: 1.346159638838484
Energy: 1.2250588365284365
Energy: 1.2483027919850973
Energy: 1.333082740851305
Energy: 1.1164766497355085
Energy: 1.1950623739759656
Energy: 1.2656729452794044
Energy: 1.2629044088216712
Energy: 1.195784224120159
Energy: 1.2677670524208473

minimum gb energy = 1.1137708980488688 eV
minimum distance =  2.31307390370549 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 2.1858931464733837
Energy: 1.2402709908216143
Energy: 1.3926509049780365
Energy: 1.1578853911311633
Energy: 1.4238484248763057
Energy: 1.155134831191722
Energy: 1.3957753440292964
Energy: 1.2260256729100245
Energy: 1.2385835469007278
Energy: 1.2588799795616172
Energy: 1.2274250569981733
Energy: 1.1528418312273894
Energy: 1.5181306844180251
Energy: 1.1269259586295963
Energy: 1.1256787513306648
Energy: 1.2254573004314
Energy: 1.1272109528644796
Energy: 1.1006381088576744
Energy: 1.2254699452529407
Energy: 1.1267558400980031
Energy: 1.1012755454724432
Energy: 1.2243029096824478
Energy: 1.100548195164668
Energy: 1.2247380876818788
Energy: 1.2259473456027024
Energy: 1.1205684956453612
Energy: 1.1318168527941088
Energy: 1.225975231998606
Energy: 1.1205199092041611
Energy: 1.1242223953005934
Energy: 1.100624288635385
Energy: 1.0692341275122075
Energy: 1.1322882178855074
Energy: 1.1199260994765157
Energy: 1.0684048074325476
Energy: 1.1194400867958199
Energy: 1.1788086426376914
Energy: 1.0671116076710292
Energy: 1.0671062107434297
Energy: 1.0687618439708044
Energy: 1.0682013021389651
Energy: 1.0976718051592806
Energy: 1.0693347979818435
Energy: 1.1251233223434014
Energy: 1.2059270431939944
Energy: 1.1234139874865008
Energy: 1.1252593813215712
Energy: 1.1658287843446116
Energy: 1.0719375332898378
Energy: 1.1240248760664364
Energy: 1.1236654661203485
Energy: 1.0686012287073303
Energy: 1.1217134669709046
Energy: 1.0673830997828913
Energy: 1.0679254913132796
Energy: 1.1315874401948147
Energy: 1.1205423959227112
Energy: 1.0680446394709504
Energy: 1.1312238886769255
Energy: 1.1201374495478587
Energy: 1.1967518932182328
Energy: 1.1317271998395024
Energy: 1.1317415767455206
Energy: 1.1201051738945889
Energy: 1.2259296479443955
Energy: 1.1208830076276726
Energy: 1.0663192981823146
Energy: 1.2261568054677625
Energy: 1.2254318685037942
Energy: 1.2223421663232878
Energy: 1.2255890382519068
Energy: 1.2248517096415878
Energy: 1.2224690784330707
Energy: 1.2261285119219836
Energy: 1.2389669529068994
Energy: 1.1320077067281353
Energy: 1.2265255163766766
Energy: 1.2380351395649216
Energy: 1.2434429791703325
Energy: 1.2261328899370934
Energy: 1.2391511006943858
Energy: 1.2271894004639563
Energy: 1.2258527741456493
Energy: 1.1630222170305529
Energy: 1.243439158719282
Energy: 1.2243615871715068
Energy: 1.224563812505965
Energy: 1.2257216155032151
Energy: 1.2247794924088935
Energy: 1.2242775030862223
Energy: 1.393566410619267
Energy: 1.226519167151593
Energy: 1.1711355927307845
Energy: 1.2258669290316848
Energy: 1.2586224214058475
Energy: 1.225469633027015
Energy: 1.2090142378374202
Energy: 1.2268312767584064
Energy: 1.347229640509756
Energy: 1.1002922487972033
Energy: 1.2264044981378035
Energy: 1.347279255090909

minimum gb energy = 1.0663192981823146 eV
minimum distance =  2.31586262189283 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.2158114444020995
Energy: 1.5530466003976022
Energy: 1.1266528555383695
Energy: 1.092472063640345
Energy: 1.5546225681677106
Energy: 1.140906907653921
Energy: 1.3385259240884553
Energy: 1.1963463769177185
Energy: 1.1893517700987495
Energy: 1.2004653210452392
Energy: 1.201917379862597
Energy: 1.1305785589296784
Energy: 1.444974420215903
Energy: 1.0437165069996903
Energy: 1.0677639664748593
Energy: 1.1972368410690848
Energy: 1.043276156740062
Energy: 1.08964408555309
Energy: 1.2006146708544896
Energy: 1.0672948822518802
Energy: 1.0879632287270122
Energy: 1.202415719386128
Energy: 1.0173474832835019
Energy: 1.0836503301990559
Energy: 1.0500678620297772
Energy: 1.0669654402107152
Energy: 1.0544274001230662
Energy: 1.0514836740163835
Energy: 1.0667431861917154
Energy: 1.0540084133901682
Energy: 0.9526974991051607
Energy: 1.0341755277808116
Energy: 1.0344276004468136
Energy: 1.0374618916322846
Energy: 1.0345038779204492
Energy: 1.0349216960820835
Energy: 0.9664960550198003
Energy: 1.0337687499603871
Energy: 1.0335740419104589
Energy: 1.0087486009607012
Energy: 1.0385503045361852
Energy: 1.028817905014125
Energy: 0.967900849984686
Energy: 1.0159484128220555
Energy: 1.0263805606122538
Energy: 1.0306514951043517
Energy: 1.0170984631176054
Energy: 1.0252351833156668
Energy: 0.9699145699659963
Energy: 1.0247709731487815
Energy: 1.0279098761941872
Energy: 0.9706902524789072
Energy: 0.9850616449125766
Energy: 0.9681442151912197
Energy: 0.968419763371935
Energy: 1.0214559004210269
Energy: 1.0217565647773101
Energy: 0.9683427624366595
Energy: 1.0213004355267503
Energy: 1.0212589507922456
Energy: 0.9841362005286522
Energy: 0.9682450531187244
Energy: 1.0205089159250913
Energy: 1.0219884376694373
Energy: 0.9689367178622951
Energy: 1.0206419135734905
Energy: 0.9725767109394473
Energy: 0.9685828632087707
Energy: 0.9680874978914951
Energy: 0.9742624023304188
Energy: 0.9747634296989917
Energy: 1.0071198047679688
Energy: 0.9676915611117104
Energy: 1.0090658991942094
Energy: 1.0247166072946567
Energy: 1.026919729691949
Energy: 1.0303217744292228
Energy: 1.0257494292014084
Energy: 1.0346463577136467
Energy: 1.0329200488044163
Energy: 1.0328734390636378
Energy: 1.0356613148412703
Energy: 1.0074325576396566
Energy: 1.0339641553928542
Energy: 1.0343651202911797
Energy: 1.03092060632296
Energy: 1.0319003753746236
Energy: 1.034528107773049
Energy: 1.0314140250449484
Energy: 1.0677820995294067
Energy: 1.2056852593278315
Energy: 1.068092149108096
Energy: 1.054352604535589
Energy: 1.067215505549981
Energy: 1.052416586148088
Energy: 1.0663745078790727
Energy: 0.9687651806477389
Energy: 1.1975144818590058
Energy: 1.1983035841371532
Energy: 0.972190190555528
Energy: 1.1970719588602015
Energy: 1.0683562902092854
Energy: 0.9701652166805336
Energy: 1.1966357736459667
Energy: 1.1892068631466544
Energy: 1.054340407199951
Energy: 1.1971373945736883
Energy: 1.0663820036398988
Energy: 1.340138996435849
Energy: 1.1982481290412246
Energy: 1.1321671508113043
Energy: 1.1982675252199844
Energy: 1.0653771254271442
Energy: 1.066860879383183
Energy: 1.447413517989105
Energy: 1.034163685000896
Energy: 1.0362834652413193
Energy: 1.2042946404444477
Energy: 1.0734538703778975
Energy: 1.1959499478430795
Energy: 1.4350405262367973
Energy: 1.1969475383169244
Energy: 1.1903716694108901
Energy: 1.20083321515716
Energy: 1.1968770737450207
Energy: 1.0649988716700154
Energy: 0.9818492021518382
Energy: 1.1973827349425188
Energy: 1.3074613143049347
Energy: 1.0683927227980508
Energy: 1.1982125520355975
Energy: 1.0848899908916556
Energy: 0.9884373701715402
Energy: 1.2027705349806093
Energy: 1.1890082243987037
Energy: 0.9901610223902615
Energy: 1.20294871269164
Energy: 1.3057809681843284
Energy: 1.4494459652099243
Energy: 1.0810580545195525
Energy: 1.1884606836101541
Energy: 1.1986611896710782
Energy: 0.9807594224346498
Energy: 1.1956852741477697
Energy: 1.1975323721166973
Energy: 1.0466888780768113
Energy: 1.0946501617250362
Energy: 1.1975409824774397
Energy: 1.046910348646999
Energy: 1.0883094083605693
Energy: 1.1982784281697845
Energy: 1.0658381475000416
Energy: 1.0679979368336205
Energy: 1.1980939451941732
Energy: 1.065422364414351
Energy: 1.1227157591282275
Energy: 0.9530295361038515
Energy: 1.0338179419085451
Energy: 1.0678953993076012
Energy: 1.0382815607666007
Energy: 1.0368687764042954
Energy: 1.0342386117864952
Energy: 0.9639280007670116
Energy: 1.034230568627397
Energy: 1.0343116269130486
Energy: 0.9518803899886247
Energy: 1.0372036391740078
Energy: 1.0336672962395448
Energy: 0.9676247692847377
Energy: 1.03203794494785
Energy: 1.0323209759851866
Energy: 1.0456394236828628
Energy: 1.0341558664310848
Energy: 1.0317726274373553
Energy: 0.9680139034032144
Energy: 1.0158641181572803
Energy: 1.026032018758291
Energy: 0.9683548750929766
Energy: 1.0166576926517301
Energy: 1.0251337051674865
Energy: 0.9748723452321675
Energy: 1.0217607416713992
Energy: 1.0297162821629722
Energy: 0.976348527926672
Energy: 1.0219665563704967
Energy: 1.0055811490267437
Energy: 0.984911937522595
Energy: 1.0216256882117407
Energy: 1.0210309707339755
Energy: 1.046370113954352
Energy: 1.0198724103506078
Energy: 1.0206716347544575
Energy: 0.9830222982617643
Energy: 0.9676280313958646
Energy: 0.9678151106249446
Energy: 1.0676331705356654
Energy: 0.9691918512672842
Energy: 0.9678583128212779
Energy: 0.9694954400734628
Energy: 1.006716467194348
Energy: 1.036819634198439
Energy: 1.0273921645942166
Energy: 1.007364532432375
Energy: 1.0347281200799026
Energy: 1.0339861406205642
Energy: 1.036112313790643
Energy: 1.0356556222964965
Energy: 1.0341234194441769
Energy: 1.0344812666136411
Energy: 1.0361158512583362
Energy: 1.0345855251759426
Energy: 1.0297754897262643
Energy: 1.0668698553030103
Energy: 1.0344153634093713
Energy: 1.0297719809112158
Energy: 1.066171739950642
Energy: 1.5158895813690219
Energy: 1.0524438667903426
Energy: 1.0522738648461103
Energy: 1.0673139977506538
Energy: 1.0865895496342177
Energy: 1.0666767721115993
Energy: 0.965576992004741
Energy: 1.1972022882259135
Energy: 1.1966167766025682
Energy: 1.051562631003768
Energy: 1.2012117401251086
Energy: 1.1967684444010083
Energy: 0.9683407042341491
Energy: 1.2091973391720654
Energy: 1.0351924123203606
Energy: 1.072581189238295
Energy: 1.2106629795286623
Energy: 1.071947804264263
Energy: 1.33823813556455
Energy: 1.1969673276738293
Energy: 1.1971037525548915
Energy: 1.1977652950874054
Energy: 1.2019759957630662
Energy: 1.111741845662012
Energy: 1.340046281514999
Energy: 1.0752273522790246
Energy: 1.1883067358683186
Energy: 1.1977306914318973
Energy: 1.076867406528673
Energy: 1.196339647266251
Energy: 1.4490040173318464
Energy: 1.1148049577583863
Energy: 1.1890908521614807
Energy: 1.2005222670673026
Energy: 1.0518541531190124
Energy: 1.1961794274587156
Energy: 0.9906621988180114
Energy: 1.1897519596554396
Energy: 1.1889798447709314
Energy: 0.9927686211629101
Energy: 1.2020715339209997
Energy: 1.3057572029772242

minimum gb energy = 0.9518803899886247 eV
minimum distance =  2.30729012872347 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.9034883091875966
Energy: 1.4515126183927887
Energy: 1.0989820998780548
Energy: 1.0320651963948035
Energy: 1.4490157056112265
Energy: 1.0743400365100397
Energy: 1.2631331362217573
Energy: 1.1664911044083717
Energy: 0.9965933755428281
Energy: 1.1993427815429936
Energy: 1.1916847561847441
Energy: 0.9950516017487183
Energy: 1.3669699434974418
Energy: 0.9752649081016977
Energy: 0.9749655486116999
Energy: 1.1641051076392754
Energy: 0.9744048748593341
Energy: 1.0428081910534233
Energy: 1.1579049297227613
Energy: 0.9741401188829715
Energy: 1.0397064440421522
Energy: 1.1558461158832758
Energy: 0.9151018749830304
Energy: 1.0554119162307645
Energy: 1.0617816642442948
Energy: 1.0197753209823026
Energy: 1.0107663285293707
Energy: 1.0622621556315393
Energy: 1.0075242444482746
Energy: 1.0162656064715183
Energy: 0.883989654900397
Energy: 1.0042370365772413
Energy: 0.9732258726460422
Energy: 0.944779164213363
Energy: 1.0041856225148305
Energy: 0.9736983589466035
Energy: 1.1593332840965096
Energy: 1.013779957530982
Energy: 1.0039612171029797
Energy: 0.9698947755576891
Energy: 1.0103326571348952
Energy: 0.9690763586183766
Energy: 1.2317745786009353
Energy: 0.9405559850387235
Energy: 0.940088021504877
Energy: 1.0145374846499717
Energy: 0.9403418036883344
Energy: 0.9550248254196455
Energy: 0.9285860877631426
Energy: 0.9543034703679131
Energy: 0.957629867879308
Energy: 0.9304483265973236
Energy: 0.8958171092413564
Energy: 0.9256129975847985
Energy: 0.925345819920198
Energy: 0.9477994313695383
Energy: 0.9441137735418297
Energy: 0.9252806592175448
Energy: 0.9885321228138464
Energy: 0.9438759527735388
Energy: 0.8993540873841057
Energy: 0.8917608937596208
Energy: 0.93461336372229
Energy: 0.9322876437853141
Energy: 0.8919626133383014
Energy: 0.9348154009785368
Energy: 0.9310781060994274
Energy: 0.9025561099402364
Energy: 0.8911674596025361
Energy: 0.9319457032512705
Energy: 0.899510062184854
Energy: 0.9420862728939593
Energy: 0.8929426164718663
Energy: 1.0318389617173565
Energy: 0.9882943857549051
Energy: 0.9359112115176188
Energy: 0.9927347532609831
Energy: 0.9883946296963246
Energy: 0.8928441377662488
Energy: 0.9390016383191988
Energy: 0.9241435049800732
Energy: 0.895202832151848
Energy: 0.9364110591031273
Energy: 0.8914420072378638
Energy: 0.8921912313821733
Energy: 0.9380639317130538
Energy: 0.9361853507775382
Energy: 0.892001597344677
Energy: 0.9453935654068542
Energy: 0.9349864305856366
Energy: 1.0045980801334087
Energy: 0.9258020197455783
Energy: 0.9584766780105359
Energy: 0.9620881878600795
Energy: 0.9396127830069995
Energy: 0.961920614249398
Energy: 0.944302508587127
Energy: 0.9262432123819629
Energy: 0.9257763860303896
Energy: 0.9434855447109767
Energy: 0.9355206183763596
Energy: 0.9555805694423731
Energy: 0.8949308929179969
Energy: 0.9567275181777304
Energy: 0.969107930703096
Energy: 0.8974309946171666
Energy: 0.9567206537432175
Energy: 0.9554276422522991
Energy: 1.0054048412741785
Energy: 0.970078560813533
Energy: 1.0030986197252985
Energy: 1.0066074645746403
Energy: 1.0240439799000334
Energy: 1.0044739454055303
Energy: 1.1434661562373232
Energy: 0.9588475082482364
Energy: 0.9877035142973181
Energy: 1.0215027708815412
Energy: 0.9599830000034593
Energy: 1.0299672206524502
Energy: 1.276121848337084
Energy: 1.0220131045827143
Energy: 1.0224916003181421
Energy: 1.0176688920376624
Energy: 1.0190892117265777
Energy: 1.0205719049945365
Energy: 0.8918856757086879
Energy: 1.154752937222691
Energy: 1.0038556985059943
Energy: 0.9609964896661788
Energy: 1.168864876180875
Energy: 1.0016902628752906
Energy: 0.9340866796739011
Energy: 1.1651659943824029
Energy: 1.157589543416977
Energy: 0.9299695112012957
Energy: 1.1617637018981772
Energy: 1.1327429389539594
Energy: 1.3084412393965639
Energy: 1.0205343115151768
Energy: 0.9934026213003606
Energy: 1.1903282718424848
Energy: 1.0225130111105083
Energy: 1.013622667644557
Energy: 1.3724247242188543
Energy: 1.0043295417865374
Energy: 1.0049918064030994
Energy: 1.1544140182654847
Energy: 1.0046646293604506
Energy: 1.1435110834673952
Energy: 1.276919122519737
Energy: 1.1548987748948831
Energy: 1.138376338085579
Energy: 1.161596738599103
Energy: 1.1645766541620288
Energy: 1.023845320542434
Energy: 1.0036155604660306
Energy: 1.1426489952718477
Energy: 1.0572456557057597
Energy: 0.980939822406958
Energy: 1.1546963891532152
Energy: 1.02457389068178

minimum gb energy = 0.883989654900397 eV
minimum distance =  2.33375862891383 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.9311146726204949
Energy: 1.260155056533497
Energy: 0.9494807893199905
Energy: 0.842576509778314
Energy: 1.2637033133574693
Energy: 0.9226176658482055
Energy: 1.099644654707434
Energy: 0.895972845708122
Energy: 0.9070971762884226
Energy: 0.8958195175569738
Energy: 0.8965993781168154
Energy: 0.8683867500964779
Energy: 1.1862875595721005
Energy: 0.8240024699708735
Energy: 0.8496857763054778
Energy: 1.0243196764865952
Energy: 0.8264897529697627
Energy: 0.8492944147891438
Energy: 1.0229352208385085
Energy: 0.849514421831056
Energy: 0.8499576155881934
Energy: 0.907197514381165
Energy: 0.8643958605166863
Energy: 0.9478143416823398
Energy: 0.9489431195187431
Energy: 0.9049268114470034
Energy: 0.8974564487915463
Energy: 0.9542525526187132
Energy: 0.9081353126469385
Energy: 0.8968578780349568
Energy: 0.809425492287207
Energy: 0.9044299454324461
Energy: 0.8419294028558084
Energy: 0.8107804349532057
Energy: 0.9040354439274003
Energy: 0.814062613620058
Energy: 1.0475173397817494
Energy: 0.9043107952763392
Energy: 0.9047365706063125
Energy: 0.8226247227994771
Energy: 0.9045510931170655
Energy: 0.8214088916300895
Energy: 1.0829736515757529
Energy: 0.7944476025912345
Energy: 0.8083527461075486
Energy: 0.8279169322489358
Energy: 0.7949581964776654
Energy: 0.8080078812017891
Energy: 0.8390056667148261
Energy: 0.8078842391129748
Energy: 0.8337396151222392
Energy: 0.8410267925631829
Energy: 0.8604901196505241
Energy: 0.8336818490380307
Energy: 0.8073000117591801
Energy: 0.811164579844781
Energy: 0.8117678690492265
Energy: 0.8337523025856527
Energy: 0.811051137069829
Energy: 0.8128630826288717
Energy: 0.7932744248285777
Energy: 0.7921410265453211
Energy: 0.7977074099575259
Energy: 0.7961686006274497
Energy: 0.7915384664595368
Energy: 0.7902327908286655
Energy: 0.83429203043221
Energy: 0.7919161434044578
Energy: 0.7916573164392573
Energy: 0.8170078796389488
Energy: 0.7922874770412764
Energy: 0.8112357127991118
Energy: 1.0373299560942792
Energy: 0.7843256416788136
Energy: 0.8252415981975186
Energy: 1.040566648719095
Energy: 0.7834623423159124
Energy: 0.8246544489830343
Energy: 0.7686581672963589
Energy: 0.7920247164737939
Energy: 0.7677370302874608
Energy: 0.770969835037922
Energy: 0.7937308721990713
Energy: 0.768002046855486
Energy: 0.7677948861310284
Energy: 0.7867207239811528
Energy: 0.7870159899667932
Energy: 0.7676335836590348
Energy: 0.7854923218111869
Energy: 0.7891565800293838
Energy: 0.7608221801727479
Energy: 0.757338608087481
Energy: 0.7783270843218522
Energy: 0.7831408226002597
Energy: 0.7571768716372227
Energy: 0.7821492393691523
Energy: 0.7747340187988148
Energy: 0.7574902848674204
Energy: 0.7570911798859835
Energy: 0.7685013919071801
Energy: 0.7575593996904235
Energy: 0.7878981517501431
Energy: 0.7574797284311892
Energy: 0.8436372956292234
Energy: 0.7883515658054285
Energy: 0.7570729032359507
Energy: 0.8422763104192607
Energy: 0.7904092130776333
Energy: 0.7575296564159514
Energy: 0.9038737712553558
Energy: 0.757151422523822
Energy: 0.758879700458556
Energy: 1.023383102767963
Energy: 0.757282901753071
Energy: 0.7572593269087357
Energy: 0.8455839527465747
Energy: 0.7961964801192478
Energy: 0.7577846598321075
Energy: 0.844650381386167
Energy: 0.8258396142297023
Energy: 0.7983152781572269
Energy: 0.7685067362094024
Energy: 0.7678325344112453
Energy: 0.7971875782357111
Energy: 0.7685566264301283
Energy: 0.7956021606816155
Energy: 0.7616753300353782
Energy: 0.7682616028255581
Energy: 0.7884296855477548
Energy: 0.7864947065350627
Energy: 0.7686651212456601
Energy: 0.786192856842398
Energy: 0.7915172460324512
Energy: 0.7904301877796736
Energy: 0.7905726637274039
Energy: 0.7920896230969208
Energy: 0.789908679841369
Energy: 0.7885902666044128
Energy: 0.793485853953288
Energy: 0.8212985627676719
Energy: 0.7916631054385195
Energy: 0.7957312033685131
Energy: 0.8368549024752664
Energy: 0.7918824430243369
Energy: 1.0562043159239858
Energy: 0.7886507322033551
Energy: 0.7977074186524341
Energy: 0.9363856053330681
Energy: 0.7897862835458408
Energy: 0.7975130695916458
Energy: 0.9041790837040433
Energy: 0.833575319877473
Energy: 0.8336357115725834
Energy: 0.8136978404992061
Energy: 0.8337277711347743
Energy: 0.8108406349835314
Energy: 0.759579674150268
Energy: 0.8337974379386183
Energy: 0.8375170477730386
Energy: 0.795940165893072
Energy: 0.833251724941153
Energy: 0.8021861093831678
Energy: 0.9081757475930943
Energy: 0.8372653654273382
Energy: 0.8254448647904833
Energy: 0.9056855166395971
Energy: 0.8372513707710124
Energy: 0.8230443183020044
Energy: 0.9110901301415105
Energy: 0.8283063913184058
Energy: 0.9045977398013958
Energy: 0.913123197367391
Energy: 0.904441711186666
Energy: 0.9045036552208067
Energy: 1.1166383686450638
Energy: 0.8085924169476038
Energy: 0.8287592878647012
Energy: 0.8965134422609826
Energy: 0.8089559999808302
Energy: 0.8287606072935845
Energy: 1.1365933999382059
Energy: 0.8963445543808911
Energy: 0.8971513401206769
Energy: 0.9281646629503872
Energy: 0.8965542774191131
Energy: 0.8956301583321938
Energy: 0.8391795046344297
Energy: 1.0241589811355742
Energy: 0.8672073467689302
Energy: 0.8221020092464999
Energy: 1.023771485563972
Energy: 0.83707782709678
Energy: 1.0441247947535368
Energy: 1.0242292738750955
Energy: 1.0240576285917233
Energy: 0.8990114892241298
Energy: 1.0247107880368502
Energy: 0.8963436388478021
Energy: 1.11190703040453
Energy: 0.8703324142057229
Energy: 0.8744370529976416
Energy: 0.9070913673264869
Energy: 0.9147042197392043
Energy: 1.0237546659233216
Energy: 1.1893178794805352
Energy: 0.8491024732815505
Energy: 0.9056212909400052
Energy: 1.0241174588613107
Energy: 0.8471552884653734
Energy: 0.9062183625879415
Energy: 1.1258130106450404
Energy: 1.0255704879306273
Energy: 1.0247550556689045
Energy: 0.8957759167161276
Energy: 1.0252491144879337
Energy: 0.8588306843221889

minimum gb energy = 0.7570729032359507 eV
minimum distance =  2.33904627966615 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.08251067189331712
Energy: 0.1365111221866217
Energy: 0.08328282005209406
Energy: 0.08488061660304248
Energy: 0.08356879436266158
Energy: 0.0830791217075689
Energy: 5.948778713046032
Energy: 6.842463757409673
Energy: 6.8288178386399
Energy: 6.877387080126546
Energy: 6.83116141267341
Energy: 6.844639043136341
Energy: 6.890315101522054
Energy: 0.0829286493976955
Energy: 0.08308861117421389
Energy: 6.891058908035659
Energy: 0.08291102726949882
Energy: 0.13643859733813296
Energy: 6.848934628060168
Energy: 0.08304871436979418
Energy: 0.0832077364764459
Energy: 6.833935270414359
Energy: 0.08285596422315908
Energy: 0.13751477350595362
Energy: 0.1364575369258546
Energy: 6.889112607288076
Energy: 6.8847851417261605
Energy: 0.13807358662800484
Energy: 6.8762711856365
Energy: 6.879941730755277
Energy: 0.0838336632162203
Energy: 6.014194609134818
Energy: 0.08303092115601363
Energy: 0.0827243456707679
Energy: 6.860853510569699
Energy: 0.08297763896320404
Energy: 6.951403609066004
Energy: 6.85694961295139
Energy: 6.880041617186623
Energy: 6.8793010812138915
Energy: 6.834664078925375
Energy: 0.13776143985253556
Energy: 6.880938974582198
Energy: 0.08286923150562917
Energy: 0.08324686088721957
Energy: 6.894350207328829
Energy: 0.08279821787505814
Energy: 0.13699759480658735
Energy: 6.825480962797629
Energy: 0.08344778131463486
Energy: 0.13682714839228277
Energy: 6.829484134365118
Energy: 0.08307563438224609
Energy: 0.13563556317854997
Energy: 0.08296334046749543
Energy: 6.8807105274683975
Energy: 6.885258659792072
Energy: 0.08300649868232805
Energy: 6.892379961540638
Energy: 6.884622730941014

minimum gb energy = 0.08251067189331712 eV
minimum distance =  1.57375285196692 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.9939885158105342
Energy: 0.9596486154426496
Energy: 0.9688656067424437
Energy: 0.94976631048338
Energy: 0.9597601023725639
Energy: 0.9260281848900757
Energy: 1.0080429790588197
Energy: 0.9876694120301936
Energy: 0.9948555098363817
Energy: 0.9220630047701636
Energy: 0.9921638342829242
Energy: 0.9349514344854496
Energy: 0.9882142980723335
Energy: 0.9473033021754247
Energy: 0.9455257520215918
Energy: 0.9848843370526604
Energy: 0.9464723127623875
Energy: 0.9860344519855919
Energy: 0.9262004399882192
Energy: 0.9481815262488844
Energy: 0.9463414420776982
Energy: 0.9258298839403183
Energy: 0.828066039479064
Energy: 0.9860813528892916
Energy: 0.8393568578479915
Energy: 0.987515856798098
Energy: 0.9952810409196711
Energy: 0.8393400272825517
Energy: 0.9937369737883236
Energy: 0.9949828656354205
Energy: 0.9295416722535619
Energy: 0.9738483522569598
Energy: 0.9653387306117723
Energy: 0.925243713929648
Energy: 0.9732394417847989
Energy: 0.9239008486807896
Energy: 0.961219287038357
Energy: 0.8554491395185562
Energy: 0.85482791673233
Energy: 0.9278759821506286
Energy: 0.8641792908403928
Energy: 0.931175942510408
Energy: 0.9245255203694734
Energy: 0.9360150483517469
Energy: 0.9352933121589281
Energy: 0.9251766608599425
Energy: 0.8992369408570895
Energy: 0.9025580349975046
Energy: 0.9597013550302499
Energy: 0.9389623947125447
Energy: 0.9646344079864094
Energy: 0.9753679370289339
Energy: 0.7884488798965784
Energy: 0.9643285481295223
Energy: 0.7990836234156785
Energy: 0.8514468774137843
Energy: 0.8512497936059958
Energy: 0.7997592880002554
Energy: 0.8613342204500756
Energy: 0.8926387737935444
Energy: 0.9162294293549956
Energy: 0.9434594388725448
Energy: 0.9441756021492989
Energy: 0.9077142336072124
Energy: 0.9234074604290863
Energy: 0.9070931370322022
Energy: 0.7994438371722995
Energy: 0.955491276059847
Energy: 0.9478849547127369
Energy: 0.7986425266886231
Energy: 0.9411523361856731
Energy: 0.7971905933653247
Energy: 0.8021397654019204
Energy: 0.8914909469512182
Energy: 0.9155842060109245
Energy: 0.8027551261389045
Energy: 0.8909291784666465
Energy: 0.8640843151805733
Energy: 0.9088864114407702
Energy: 0.7625812882127962
Energy: 0.9148092117771062
Energy: 0.9170412934976264
Energy: 0.7607857462950502
Energy: 0.9186326602739076
Energy: 0.9018681369327429
Energy: 0.7618257619192651
Energy: 0.7606544488897341
Energy: 0.9024539635538316
Energy: 0.7631152653183799
Energy: 0.7596951162869294
Energy: 0.9011366080779292
Energy: 0.8967803938195716
Energy: 0.8970131139016816
Energy: 0.895933261446939
Energy: 0.8927169990078978
Energy: 0.8971337972682374
Energy: 0.7411497236562203
Energy: 0.8967213809473068
Energy: 0.9006246659344199
Energy: 0.7411513907809368
Energy: 0.8964373598713339
Energy: 0.7414688905977833
Energy: 0.7415174209346019
Energy: 0.887978220561375
Energy: 0.8884853386995973
Energy: 0.7417337568665519
Energy: 0.8878840388619185
Energy: 0.8308953066024166
Energy: 0.8887323864223854
Energy: 0.7430123857795137
Energy: 0.8887871855930297
Energy: 0.8877395246504638
Energy: 0.8244562063720409
Energy: 0.8882443532816899
Energy: 0.8914789401756834
Energy: 0.7419462213358966
Energy: 0.7418713700491679
Energy: 0.8924675435968369
Energy: 0.7428133914838798
Energy: 0.741611413987459
Energy: 0.8918906004680199
Energy: 0.896395013692987
Energy: 0.8969462638567981
Energy: 0.8918723218306118
Energy: 0.899625476269605
Energy: 0.8962383321629914
Energy: 0.7823845965126068
Energy: 0.8965178698949174
Energy: 0.8300460425169813
Energy: 0.7836770364286093
Energy: 0.8953389271114841
Energy: 0.7629169621908262
Energy: 0.7595380223949209
Energy: 0.9262421237117526
Energy: 0.9260458998100314
Energy: 0.7595150626662653
Energy: 0.92646222529187
Energy: 0.91458915717404
Energy: 0.9032980308128019
Energy: 0.8244243480429293
Energy: 0.816105778485809
Energy: 0.8990593672346866
Energy: 0.8013599596179908
Energy: 0.8991725646504909
Energy: 0.845935101303585
Energy: 0.7961468957020034
Energy: 0.795760491059994
Energy: 0.8469942953165401
Energy: 0.8057650431206186
Energy: 0.7961292375484653
Energy: 0.923432690119684
Energy: 0.9230456502413561
Energy: 0.9214769433864951
Energy: 0.9228552290110031
Energy: 0.8920931654669233
Energy: 0.9433993088487992
Energy: 0.8989025020156873
Energy: 0.9226109182269516
Energy: 0.9210651253440573
Energy: 0.9000776595315826
Energy: 0.7708156328088438
Energy: 0.8543722427236405
Energy: 0.8168655474147397
Energy: 0.9679240922525186
Energy: 0.9681380259686259
Energy: 0.8164682802664398
Energy: 0.9722583353821366
Energy: 0.9684662751428058
Energy: 0.923749537514658
Energy: 0.9253516519763697
Energy: 0.9205186389736134
Energy: 0.9155918206054893
Energy: 0.9250783633974845
Energy: 0.9137792652430142
Energy: 0.8563207493992344
Energy: 0.9325027856568656
Energy: 0.9315285980653666
Energy: 0.8561417768207495
Energy: 0.9250104942901
Energy: 0.9271490580193074
Energy: 0.9740509053445269
Energy: 0.9473595941699993
Energy: 0.9466568690896361
Energy: 0.9973929056109893
Energy: 0.9046111729808671
Energy: 0.9459630316128518
Energy: 0.9992922239234897
Energy: 0.9526766841748312
Energy: 0.9674396808071388
Energy: 0.9944251427992853
Energy: 0.8059911311976011
Energy: 0.9960836489385306
Energy: 0.8624716972392419
Energy: 0.922444898999738
Energy: 0.9298920605347387
Energy: 0.8627101602208094
Energy: 0.9264556977817623
Energy: 0.9434227993334339

minimum gb energy = 0.7411497236562203 eV
minimum distance =  2.30709330370746 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.2083916279337794
Energy: 1.1918509784850977
Energy: 1.1905165869455911
Energy: 1.1553527628181026
Energy: 1.2158741936003257
Energy: 1.222821084315382
Energy: 1.2191771304032237
Energy: 1.1822824367179774
Energy: 1.1736916218037716
Energy: 1.1740897767274447
Energy: 1.1931563039330817
Energy: 1.1682571509371624
Energy: 1.1932972856434625
Energy: 1.129622395430408
Energy: 1.1645569310792487
Energy: 1.175523801417183
Energy: 1.1299206696958302
Energy: 1.1644015379025405
Energy: 1.1732669002646012
Energy: 1.1656801170478426
Energy: 1.1646224067068567
Energy: 1.106151747699922
Energy: 0.9860911414484995
Energy: 1.164631659431678
Energy: 1.0840185231297292
Energy: 1.1748395027475569
Energy: 1.1693002159743109
Energy: 1.0844622237780874
Energy: 1.1912796331984254
Energy: 1.168342420731423
Energy: 1.1157427098288488
Energy: 1.1732131035264795
Energy: 1.1333434319535753
Energy: 1.1312538891797665
Energy: 1.1724875619517605
Energy: 1.1315913734370717
Energy: 1.0907579850934794
Energy: 0.998067201053902
Energy: 1.0831932267375466
Energy: 1.0914188897289012
Energy: 0.9953421450071008
Energy: 1.0823292439040244
Energy: 1.1376058626728327
Energy: 1.1102733623033492
Energy: 1.118774705912212
Energy: 1.1339294393063437
Energy: 1.1082084307167428
Energy: 1.0987664742926222
Energy: 1.1231430821022492
Energy: 1.1360069025076471
Energy: 1.138238195320191
Energy: 1.137687806037078
Energy: 0.9904271220689671
Energy: 1.1396406527482357
Energy: 0.9464764464722953
Energy: 0.9974114536296373
Energy: 0.9903208784794146
Energy: 0.9418512517831634
Energy: 0.9930790405059546
Energy: 0.9895815912613218
Energy: 1.0342107546545145
Energy: 1.1136533704699876
Energy: 1.1191204578887555
Energy: 1.1123343867503417
Energy: 1.1186706562905449
Energy: 1.1214775490842315
Energy: 0.9462267199340795
Energy: 1.1181187986660632
Energy: 1.1166562832193225
Energy: 0.9469390597735314
Energy: 1.1183688945360892
Energy: 0.9425823232959477
Energy: 0.9531250916872585
Energy: 1.1108960714723704
Energy: 1.1134440059032231
Energy: 0.949513996545102
Energy: 1.1174089637902664
Energy: 0.9472739290985133
Energy: 1.1017396166547875
Energy: 1.0247127321308458
Energy: 1.103894959831488
Energy: 1.0219977044183044
Energy: 0.946814092898073
Energy: 1.1103263265244283
Energy: 1.0262932459515486
Energy: 0.9490815773686029
Energy: 0.9436926949280818
Energy: 1.1038712937000243
Energy: 0.9448086517459736
Energy: 0.9441974935648222
Energy: 1.1005724682709668
Energy: 1.122713357551619
Energy: 1.1165933130941734
Energy: 1.120801252882009
Energy: 0.9415186181442481
Energy: 1.1189495832299972
Energy: 1.012529820293315
Energy: 1.0959147238391318
Energy: 1.1156694325502383
Energy: 1.0112938222537555
Energy: 1.0941774903677908
Energy: 1.0086482793214289
Energy: 0.9912402369738721
Energy: 1.136401935138179
Energy: 1.1421473436197445
Energy: 0.9920097933958928
Energy: 1.0442545364026465
Energy: 0.9904641779472653
Energy: 1.0967222504692793
Energy: 1.1196214403655655
Energy: 1.1243436612702622
Energy: 1.1255860957581179
Energy: 1.120298836383525
Energy: 1.1248477600635043
Energy: 0.9909245967573747
Energy: 1.0947673766764965
Energy: 1.083902147859377
Energy: 0.9913212654843233
Energy: 1.0918686023533934
Energy: 1.083565159273663
Energy: 1.1721451645184815
Energy: 1.134667760094689
Energy: 1.1338703382289823
Energy: 1.1722646951339177
Energy: 1.1206944373274847
Energy: 1.1336650861097561
Energy: 1.2038496219441917
Energy: 1.1238344883532048
Energy: 1.134251253299536
Energy: 1.1753013392559262
Energy: 1.1229284029065754
Energy: 1.1344742498736833
Energy: 1.1371489307507059
Energy: 1.094092712792914
Energy: 1.0859489503721158
Energy: 1.1375492098916105
Energy: 1.0924377094376045
Energy: 1.0831324148165888

minimum gb energy = 0.9415186181442481 eV
minimum distance =  2.29875006439058 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.2133617402574073
Energy: 1.384083367439539
Energy: 1.3802425811708454
Energy: 1.2880315686332198
Energy: 1.3803837191138628
Energy: 1.2858747540359825
Energy: 1.2968806172965457
Energy: 1.2838200571753728
Energy: 1.284660797050642
Energy: 1.2846111508590334
Energy: 1.2882232081850722
Energy: 1.2773398457086724
Energy: 1.358283811834652
Energy: 1.2746779728570403
Energy: 1.2745935905322807
Energy: 1.3063527074466006
Energy: 1.2737472543126327
Energy: 1.2744912136827171
Energy: 1.3102862772906108
Energy: 1.274287252811506
Energy: 1.2744757245071365
Energy: 1.3130406802395191
Energy: 1.1673265969839823
Energy: 1.274303846975041
Energy: 1.172317259064783
Energy: 1.286148810380039
Energy: 1.284418803647875
Energy: 1.1724695076712923
Energy: 1.2901727123581446
Energy: 1.2778250121623311
Energy: 1.2754709779519235
Energy: 1.2780412595083295
Energy: 1.2794758358602794
Energy: 1.0723718614560092
Energy: 1.2778272347203408
Energy: 1.2355152357412618
Energy: 1.172968391066525
Energy: 1.1754673345882465
Energy: 1.1754893466511824
Energy: 1.1721706790268767
Energy: 1.1790001324882295
Energy: 1.1722151354945767
Energy: 1.1931826937606052
Energy: 1.1693665981905041
Energy: 1.2396172061989013
Energy: 1.1947863839836064
Energy: 1.1757003154936077
Energy: 1.173874242553151
Energy: 1.2312307967117593
Energy: 1.2414771602773067
Energy: 1.2402045263025252
Energy: 1.240529372076936
Energy: 1.0717610851478283
Energy: 1.258807984233952
Energy: 1.1522468768705978
Energy: 1.0743441398584057
Energy: 1.0746345774497994
Energy: 1.1522506841114566
Energy: 1.0766558671837878
Energy: 1.074461906930823
Energy: 1.2309080696742754
Energy: 1.1714904798034034
Energy: 1.2380932463854668
Energy: 1.2365822594788083
Energy: 1.074178020724288
Energy: 1.2368971907684059
Energy: 1.073480018621178
Energy: 1.2374866389998675
Energy: 1.2391239948074182
Energy: 1.0737646536511556
Energy: 1.226412165472117
Energy: 1.0736709802746807
Energy: 1.0716898192715685
Energy: 1.2423458416500717
Energy: 1.176398241901577
Energy: 1.0716815801137776
Energy: 1.240356325951706
Energy: 1.0728818678718401
Energy: 1.2343545600512664
Energy: 1.171562111287615
Energy: 1.2394854193936033
Energy: 1.044981953335673
Energy: 1.2074311861618188
Energy: 1.2452827997616878
Energy: 1.0453127089312193
Energy: 1.1776181804467498
Energy: 1.1768703623341337
Energy: 1.045813659635495
Energy: 1.179203821673772
Energy: 1.174466359094618
Energy: 1.2874486635261382
Energy: 1.2354379458869007
Energy: 1.23692764513386
Energy: 1.282360549854471
Energy: 1.0956468340951997
Energy: 1.2783460118874372
Energy: 1.38746210044407
Energy: 1.2402994560389147
Energy: 1.24044390289976
Energy: 1.3874825173831227
Energy: 1.2410884374307498
Energy: 1.240683107742178
Energy: 1.3562019956307223
Energy: 1.1747498082682095
Energy: 1.2825950043803414
Energy: 1.2878254866785819
Energy: 1.1745796460947744
Energy: 1.2847555752484388
Energy: 1.31444248130467
Energy: 1.301439958534196
Energy: 1.314087447296714
Energy: 1.1969486534709792
Energy: 1.301689898596077
Energy: 1.237976212582548
Energy: 1.2388427966548559
Energy: 1.2848762448647426
Energy: 1.2845411416114412
Energy: 1.2398265389692549
Energy: 1.2898008038138908
Energy: 1.277631689676745
Energy: 1.3678505585451899
Energy: 1.2737941712355316
Energy: 1.2742071846296417
Energy: 1.3080643239082106
Energy: 1.2764071134430444
Energy: 1.2742881865553333
Energy: 1.307803616186374
Energy: 1.274814893000101
Energy: 1.2748926325041734
Energy: 1.3068776331932876
Energy: 1.27436577386227
Energy: 1.2742299349543162
Energy: 1.1727581322155334
Energy: 1.286377100543708
Energy: 1.2778641760765268
Energy: 1.1720113348205377
Energy: 1.289340462776891
Energy: 1.2771919338729842
Energy: 1.1690820541329605
Energy: 1.278307396847049
Energy: 1.277268587708749
Energy: 1.2349820135650817
Energy: 1.2776363145489038
Energy: 1.2348830431327518
Energy: 1.1729433527520348
Energy: 1.279626168646105
Energy: 1.2797148716017486
Energy: 1.1726422001664474
Energy: 1.1789055337885186
Energy: 1.1763012580344314
Energy: 1.1898847682734937
Energy: 1.1688739363594727
Energy: 1.2399360010958513
Energy: 1.1916067826569139
Energy: 1.2404506686624484
Energy: 1.1749259542151844
Energy: 1.231318122913562
Energy: 1.240630205513671
Energy: 1.2398437361473535
Energy: 1.2349022604385567
Energy: 1.0720368038261252
Energy: 1.2417992409598975
Energy: 1.1547024769969145
Energy: 1.0734223978868171
Energy: 1.074357070683301
Energy: 1.1547360086148704
Energy: 1.0778039186869872
Energy: 1.0758215800945794
Energy: 1.2316419692957488
Energy: 1.0740674219833077
Energy: 1.2384266086027387
Energy: 1.2284323338885297
Energy: 1.0747179554175534
Energy: 1.240021872530275
Energy: 1.0730413150940143
Energy: 1.236697001920773
Energy: 1.2379520928402927
Energy: 1.0729998315622884
Energy: 1.2274523061441294
Energy: 1.0734934729545182
Energy: 1.0750685159804567
Energy: 1.2415915770364758
Energy: 1.0764069553538993
Energy: 1.0731267576147316
Energy: 1.1535110278693945
Energy: 1.0739758679470643
Energy: 1.0461361111513534
Energy: 1.2400268791589557
Energy: 1.2406693558561626
Energy: 1.2245963415934489
Energy: 1.253607986467937
Energy: 1.2436498492556596
Energy: 1.0458116404606599
Energy: 1.1977103734804975
Energy: 1.1742543442828088
Energy: 1.0457120299686196
Energy: 1.1916176100306244
Energy: 1.1727174655643633
Energy: 1.173816524323655
Energy: 1.2037791559373847
Energy: 1.278700980603359
Energy: 1.1752925526225941
Energy: 1.0958614667467768
Energy: 1.1699767575100921
Energy: 1.3854722872468899
Energy: 1.2397792332329338
Energy: 1.2406402706914228
Energy: 1.3862410961080376
Energy: 1.2208455839842063
Energy: 1.2414034880579055
Energy: 1.3545564537916905
Energy: 1.1748361289941915
Energy: 1.1754948940127605
Energy: 1.2865331733696428
Energy: 1.1740274023381008
Energy: 1.2821463269964624
Energy: 1.2137087539366604
Energy: 1.3029870206544623
Energy: 1.3152806337489718
Energy: 1.1065667021631167
Energy: 1.3026130018625646
Energy: 1.2355487652199415

minimum gb energy = 1.044981953335673 eV
minimum distance =  2.30295532218599 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.536826590711847
Energy: 2.6280360833086363
Energy: 2.2671889907826785
Energy: 1.337949840499286
Energy: 1.397731231723129
Energy: 1.5375246260142241
Energy: 1.50784152010542
Energy: 1.4025032304226333
Energy: 1.3986947942023293
Energy: 1.39652395418078
Energy: 1.4012924587126463
Energy: 1.3597103938072064
Energy: 1.511864912467374
Energy: 1.3542091788362076
Energy: 1.3534072637289007
Energy: 1.5117462729675366
Energy: 1.3557304381005262
Energy: 1.3932119158045178
Energy: 1.4005307406245942
Energy: 1.3511535395931107
Energy: 1.3531548578876076
Energy: 1.402695260899861
Energy: 1.4255804120127118
Energy: 1.398046103567129
Energy: 1.2609529769388588
Energy: 1.4047223551870187
Energy: 1.400164247438265
Energy: 1.2609213380651803
Energy: 1.3993550059785895
Energy: 1.354619276100146
Energy: 1.4093543821927776
Energy: 1.4338536559514428
Energy: 1.4363776669818291
Energy: 1.3005810591126574
Energy: 1.4323213882665187
Energy: 1.4329327090626776
Energy: 1.261375739026034
Energy: 1.3592699136466073
Energy: 1.3542921634467755
Energy: 1.2615473779127
Energy: 1.3586480487991612
Energy: 1.2620320584271063
Energy: 1.2640645834825563
Energy: 1.423235143635926
Energy: 1.2639131830567527
Energy: 1.2656307759026078
Energy: 1.3051910079175093
Energy: 1.2622067764033569
Energy: 1.3695988320344343
Energy: 1.2454892249470393
Energy: 1.4245297939665305
Energy: 1.3889335711950188
Energy: 1.2648126706278735
Energy: 1.220867022444911
Energy: 1.3062154519860696
Energy: 1.2704044862183017
Energy: 1.2628087833108455
Energy: 1.3068221035781524
Energy: 1.2636616689433835
Energy: 1.2256530512884878
Energy: 1.4126358829927625
Energy: 1.2635639363612012
Energy: 1.2949683703972943
Energy: 1.4294282974909422
Energy: 1.1945974117747442
Energy: 1.360065135088135
Energy: 1.4328020314225993
Energy: 1.4176125234975832
Energy: 1.4010740086140385
Energy: 1.4343899245425653
Energy: 1.4170117846705201
Energy: 1.3247254897793388
Energy: 1.5086007260656142
Energy: 1.3970042528908644
Energy: 1.2930826545661038
Energy: 1.4061994494886851
Energy: 1.4106661826280031
Energy: 1.3966288490325947
Energy: 1.4361116785688695
Energy: 1.397020789135005
Energy: 1.4435768628152137
Energy: 1.1929236195459145
Energy: 1.4040453063492295
Energy: 1.4441688137415047

minimum gb energy = 1.1929236195459145 eV
minimum distance =  2.31880021736714 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.4377718820385943
Energy: 1.4304395582430707
Energy: 1.5773236907249204
Energy: 1.6869652384106053
Energy: 1.4299203893942292
Energy: 1.690936627675064
Energy: 1.693957029415234
Energy: 1.4092199926899889
Energy: 1.4097832636213277
Energy: 1.4830302706018328
Energy: 1.4089744477845532
Energy: 1.409565933569349
Energy: 1.6315794422308498
Energy: 1.4734599391748167
Energy: 1.492975303902611
Energy: 1.6305898632118525
Energy: 1.444514327552956
Energy: 1.5149822756580529
Energy: 1.5615238654361852
Energy: 1.3902942913173875
Energy: 1.4461362635332535
Energy: 1.5606618498601177
Energy: 1.4471138857849564
Energy: 1.4457677283302954
Energy: 1.4773698908507245
Energy: 1.409957651279438
Energy: 1.410166351029766
Energy: 1.4799129940357276
Energy: 1.4129219654813396
Energy: 1.4103088366466021
Energy: 2.06361365214227
Energy: 1.4309306281177356
Energy: 1.4522670472701087
Energy: 1.454371838119356
Energy: 1.4305560647203688
Energy: 1.4257175397161954
Energy: 1.430972873608085
Energy: 1.4314500319684498
Energy: 1.4246757727934989
Energy: 1.4309438505569547
Energy: 1.4077698112346213
Energy: 1.4318420852274467
Energy: 1.4299066446422124
Energy: 1.4752668917444502
Energy: 1.4097181294624817
Energy: 1.4104546283420987
Energy: 1.467276943425459
Energy: 1.4097159693739088
Energy: 1.4095828362625902
Energy: 1.5529184786089159
Energy: 1.5148277140892066
Energy: 1.4148445998593207
Energy: 1.6012522979376482
Energy: 1.396065680292069
Energy: 1.4096565327705137
Energy: 1.5098196892088518
Energy: 1.5112879248727804
Energy: 1.487660892936468
Energy: 1.6118815178370958
Energy: 1.3958525694293646
Energy: 1.429853043781224
Energy: 1.433029344216566
Energy: 1.4644488472303474
Energy: 1.4095067464103574
Energy: 1.438540707076796
Energy: 1.4093778742909449
Energy: 1.4122896771001758
Energy: 1.5607768522730392
Energy: 1.481412705823086
Energy: 1.4140808320278806
Energy: 1.5373116754506897
Energy: 1.4792466599979766
Energy: 1.4087545613206223
Energy: 1.4849041560664495
Energy: 1.4842525414117727
Energy: 1.4085125036613215
Energy: 1.4910055140257998
Energy: 1.4100712027034112
Energy: 1.4328606336887848
Energy: 1.7477800604704077
Energy: 1.4975063274601519
Energy: 1.4573780187725291
Energy: 1.630268422649514
Energy: 1.5538752173393833
Energy: 1.3918472239702755
Energy: 1.5114731742102117
Energy: 1.4523861111076442
Energy: 1.39206369186668
Energy: 1.511023177011574
Energy: 1.4648604759138286
Energy: 1.3936020277575278
Energy: 1.4931966166326163
Energy: 1.3929013237292796
Energy: 1.3956497310379687
Energy: 1.4547787293924046
Energy: 1.3926838487132618
Energy: 1.391834504276393
Energy: 1.5272831887746845
Energy: 1.5131557478367281
Energy: 1.391856469253644
Energy: 1.4368296299885015
Energy: 1.4203043148961931
Energy: 2.153534937778269
Energy: 1.4924253479888434
Energy: 1.4920238989974381
Energy: 1.4408439718367683
Energy: 1.527719831305809
Energy: 1.4391687955328836
Energy: 1.4393687275693536
Energy: 1.4359871051199662
Energy: 1.4351755115454934
Energy: 1.4393371619168323
Energy: 1.4392846500918057
Energy: 1.4354092204135778
Energy: 1.4800430610589912
Energy: 1.4678121189464894
Energy: 1.5220710833422086
Energy: 1.482197932211048
Energy: 1.3944565173041308
Energy: 1.4871359223215335
Energy: 1.5240069942803822
Energy: 1.392615167960657
Energy: 1.4618309584450362
Energy: 1.4999379215538686
Energy: 1.3937911018697329
Energy: 1.4542353723949397
Energy: 1.4404378742621915
Energy: 1.4528846987802793
Energy: 1.4488295965514109
Energy: 1.4059853989314697
Energy: 1.4527388507319785
Energy: 1.4483864496607448
Energy: 1.4541753651516276
Energy: 1.4804753308992644
Energy: 1.5036451223439025
Energy: 1.469789050837291
Energy: 1.4822040675401493
Energy: 1.5104736329013582
Energy: 1.5344536416182748
Energy: 1.4349565719044675
Energy: 1.418957293286814
Energy: 1.4386015453015961
Energy: 1.4347993075202814
Energy: 1.4344395207406035
Energy: 1.523114326031635
Energy: 1.4809279738459127
Energy: 1.4807839080723297
Energy: 1.5254418256285247
Energy: 1.4229311399013875
Energy: 1.4802701194983883
Energy: 1.8880323812860138
Energy: 1.393782941247664
Energy: 1.4078150779616012
Energy: 1.4426284329913128
Energy: 1.391965627323313
Energy: 1.4996498775103797
Energy: 1.764105016308307
Energy: 1.3918273453266892
Energy: 1.3915206596515906
Energy: 1.4277422710777976
Energy: 1.396237648114445
Energy: 1.3924910712878797
Energy: 1.6394629091839847
Energy: 1.3928917946240924
Energy: 1.5121467636156127
Energy: 1.5094167767750615
Energy: 1.3923857975688887
Energy: 1.5161079462571654
Energy: 1.63139916697338
Energy: 1.5282239465043972
Energy: 1.528509536537738
Energy: 1.6315595155775877
Energy: 1.4249975710060052
Energy: 1.5591990818365586
Energy: 1.7077103145477588
Energy: 1.4093254004757134
Energy: 1.4101077193829623
Energy: 1.4887917155758876
Energy: 1.4088192461464457
Energy: 1.4790675275380873
Energy: 2.4040268439167893
Energy: 1.4125053896377944
Energy: 1.4860792086717933
Energy: 1.4702448170581723
Energy: 1.4151258909964266
Energy: 1.48468646643736

minimum gb energy = 1.3902942913173875 eV
minimum distance =  2.27931109844391 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.5683483192825842
Energy: 1.493625174768641
Energy: 1.5963633300466278
Energy: 2.4789217688620933
Energy: 3.091856401685527
Energy: 2.452814629164278
Energy: 1.503477959043808
Energy: 1.426749801787542
Energy: 1.421049387363951
Energy: 1.4255915853932488
Energy: 1.4314843484848991
Energy: 1.4237214310921926
Energy: 1.508357457827024
Energy: 1.5325649143512643
Energy: 1.529949289278257
Energy: 1.5074538085893334
Energy: 1.5325968293650245
Energy: 1.4940928993706015
Energy: 1.495187698850928
Energy: 1.434455831090257
Energy: 1.428585517630145
Energy: 1.4960149934600844
Energy: 1.4220958584086825
Energy: 1.9363139415206478
Energy: 1.4597515099428187
Energy: 1.4945072998405675
Energy: 1.4398228947069054
Energy: 1.4252432123839163
Energy: 1.4958155537902458
Energy: 1.424573143889476
Energy: 2.0028936523009535
Energy: 1.5031350538044939
Energy: 1.504668263021147
Energy: 1.9764390873716582
Energy: 1.5034294279973062
Energy: 1.4952278657807807
Energy: 1.5051444754574737
Energy: 1.4426173517881589
Energy: 1.4843013765213044
Energy: 1.507074888513558
Energy: 1.4419049965448412
Energy: 1.503739311675106
Energy: 1.5049076318026557
Energy: 1.425235891790182
Energy: 1.4557089774135243
Energy: 1.426764294230743
Energy: 1.461235091849483
Energy: 1.4231510960574616
Energy: 2.5202203144266933
Energy: 1.5036665170207473
Energy: 1.5866031192370265
Energy: 2.5045935497031966
Energy: 1.4963353798761065
Energy: 1.5865895839616082
Energy: 2.5191815360027987
Energy: 1.504100678408851
Energy: 1.5864959696432517
Energy: 2.505243840443503
Energy: 1.5045323451007175
Energy: 1.5864483305081378
Energy: 1.5038064414690677
Energy: 1.4268254896517603
Energy: 1.4232890884722735
Energy: 1.4273471353323735
Energy: 1.4257934206403207
Energy: 1.4533252034153714
Energy: 1.4931200425826439
Energy: 1.5345736473910663
Energy: 1.545493308543528
Energy: 1.4955041456828906
Energy: 1.5295238545070147
Energy: 1.9407074634495403
Energy: 1.4486975637405493
Energy: 1.4277380723002346
Energy: 1.421209708331593
Energy: 1.4266861539098554
Energy: 1.4251897606398605
Energy: 1.4217304927242416
Energy: 3.100259821460223
Energy: 1.5050646586158711
Energy: 1.4948582125776981
Energy: 1.5432385114914124
Energy: 1.5069259235851522
Energy: 1.4956378211041976
Energy: 1.503252448304771
Energy: 1.4473944250955726
Energy: 1.996494938115006
Energy: 1.5042868865911239
Energy: 1.4418581129107266
Energy: 1.420526252779033
Energy: 1.510362607476016
Energy: 1.4469987319908828
Energy: 1.4729328753014674
Energy: 1.5122982432039873
Energy: 1.442345135422693
Energy: 1.9487660497272214
Energy: 1.3905891006489275
Energy: 1.4267048327012215
Energy: 1.4349530194475566
Energy: 1.389641315486213
Energy: 1.4280642127108918
Energy: 1.426847659560771

minimum gb energy = 1.389641315486213 eV
minimum distance =  2.31877878236592 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.568034954200741
Energy: 2.5917110456584562
Energy: 1.598167856172296
Energy: 2.47081696265397
Energy: 1.5624460854036268
Energy: 1.6036050339772554
Energy: 2.451193863330265
Energy: 1.5372487928820784
Energy: 1.4652092938911885
Energy: 1.5740915377698086
Energy: 1.5360912068694559
Energy: 1.5269241311096047
Energy: 1.6127573934656152
Energy: 1.7850888858033815
Energy: 1.7451594072128052
Energy: 1.6189223792157381
Energy: 1.7805715747176643
Energy: 1.7440239722880602
Energy: 1.6061270485858348
Energy: 1.757497639902524
Energy: 1.7548381045664116
Energy: 1.5467963490163072
Energy: 1.60907301610812
Energy: 1.7539175429246998
Energy: 1.5594634332137012
Energy: 1.4990299015763262
Energy: 1.4573706201043803
Energy: 1.7276255938504173
Energy: 1.5636627282978297
Energy: 1.4579384962894406
Energy: 1.528669177906518
Energy: 1.5372015297455937
Energy: 1.5527356141639428
Energy: 1.5306420629070545
Energy: 1.5640465318519587
Energy: 1.5521653031356624
Energy: 1.5233606796737034
Energy: 1.9777658656985018
Energy: 1.4848870809651622
Energy: 1.5042298495294821
Energy: 1.9781302153750746
Energy: 1.4850357944103854
Energy: 1.5612583666321425
Energy: 1.5562388398890792
Energy: 1.5121099484461933
Energy: 1.561960190672387
Energy: 1.5869749882621285
Energy: 1.5054378310883036
Energy: 2.0635212093140383
Energy: 1.4984510388500425
Energy: 1.5022043679526953
Energy: 1.7948718980330443
Energy: 1.5212243132298195
Energy: 1.7446953782269308
Energy: 1.8990440472134444
Energy: 1.5099895721604137
Energy: 1.5023919972298598
Energy: 1.801226628829607
Energy: 1.5062696189387854
Energy: 1.458873146505019
Energy: 1.5616805384250292
Energy: 1.4691846382684697
Energy: 1.4694503854701786
Energy: 1.5156814916901031
Energy: 1.4681678884510743
Energy: 1.469718761126179
Energy: 1.562416763593178
Energy: 1.5689104280276465
Energy: 1.457820489548882
Energy: 1.5401224783132546
Energy: 1.5570399589302553
Energy: 1.4597803555667295
Energy: 2.0040827265301226
Energy: 1.5833276057135746
Energy: 1.5631628984113781
Energy: 1.991037611599488
Energy: 1.577789673854481
Energy: 1.4276210165916896
Energy: 2.4717914649741415
Energy: 1.5770909476694712
Energy: 1.7540996042670787
Energy: 2.022441727694282
Energy: 1.5682700288882179
Energy: 1.7545250293794092
Energy: 1.563420351090401
Energy: 1.4566960460304619
Energy: 1.4574850099704177
Energy: 1.5646712839530275
Energy: 1.4554293906285916
Energy: 1.4578189602357914
Energy: 1.545629886197862
Energy: 1.7831420167790597
Energy: 1.4558632435658108
Energy: 1.5427972573506574
Energy: 1.7870065080370183
Energy: 1.4550257542689677
Energy: 1.5478001480247376
Energy: 1.5352145835497868
Energy: 1.5486589232530694
Energy: 1.5488069859045472
Energy: 1.5391538624963264
Energy: 1.797283180526055
Energy: 1.9725700092585656
Energy: 1.5744019502797237
Energy: 1.5560494303397088
Energy: 1.9512516798071038
Energy: 1.6134859288474552
Energy: 1.7445807467190382
Energy: 1.6119709484489595
Energy: 1.7935597191861423
Energy: 1.7466877798839122
Energy: 1.6133221563896514
Energy: 1.5876310299985616
Energy: 1.4663712965014457
Energy: 1.6119548490476154
Energy: 1.8015967405460007
Energy: 1.787174403327589
Energy: 1.611296333866306
Energy: 2.181733849477918
Energy: 1.52708179704102
Energy: 1.541691848973696
Energy: 1.5399110261386104
Energy: 1.4595598973137116
Energy: 1.5718166719663804
Energy: 1.5429362677414415
Energy: 1.460686668103412

minimum gb energy = 1.4276210165916896 eV
minimum distance =  2.32719753272847 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.0146570475153722
Energy: 2.3154897846931894
Energy: 1.536094454559851
Energy: 1.5364934931742495
Energy: 2.3029470141751407
Energy: 1.6225463427260798
Energy: 2.059157186929088
Energy: 1.6349397915886967
Energy: 1.608924398940193
Energy: 1.6161419883298054
Energy: 1.6310609003728704
Energy: 1.6094929130847746
Energy: 1.6788510114791304
Energy: 1.9047658007583543
Energy: 1.5662611615315816
Energy: 1.4625173404075194
Energy: 1.5226487093605447
Energy: 1.936102225343885
Energy: 1.8303749538814553
Energy: 1.757376200145853
Energy: 1.7770093687010209
Energy: 1.7995540282572517
Energy: 1.7781151568842413
Energy: 1.6235270612947064
Energy: 1.5297752210336149
Energy: 1.9107545742069052
Energy: 2.058717037165174
Energy: 1.5307928561736348
Energy: 1.8957345678657913
Energy: 2.0508881179228435
Energy: 1.8301294943420878
Energy: 1.704276630345015
Energy: 1.613942490824406
Energy: 1.6047088611504587
Energy: 1.7545739389059407
Energy: 1.6227423250637882
Energy: 1.9618809901863536
Energy: 1.6275596648428405
Energy: 1.6245996071677882
Energy: 1.9702188830356484
Energy: 1.6284176005064885
Energy: 1.6336364174491436
Energy: 1.6740968534171108
Energy: 1.5785763361643663
Energy: 1.6548487109105527
Energy: 1.7386096503778046
Energy: 1.5692394107752035
Energy: 1.6592018132864375
Energy: 1.9356019971315708
Energy: 1.6808483335353306
Energy: 1.6136505955264162
Energy: 1.6599985663912546
Energy: 1.6446114786464885
Energy: 1.6641256659383972
Energy: 1.9493510008238717
Energy: 1.5931940623583083
Energy: 1.5926158275762725
Energy: 1.595633255861466
Energy: 1.5646620449875988
Energy: 1.6081515114728233
Energy: 1.6568714888906395
Energy: 2.17918389901356
Energy: 2.140768620371511
Energy: 1.6903889470489497
Energy: 1.5226724704350627
Energy: 2.148769448981498
Energy: 1.5944879782967325
Energy: 1.5551208504231129
Energy: 1.5570861877688122
Energy: 1.5954556740024783
Energy: 1.5387956496586792
Energy: 1.5664726972432537
Energy: 1.6974794379607647
Energy: 1.5980440426049594
Energy: 1.5687888862729327
Energy: 1.6069419729875258
Energy: 1.5988114793151578
Energy: 1.603657983721919
Energy: 1.7228382147172212
Energy: 1.6124768354353542
Energy: 1.60003770667252
Energy: 1.605361708114412
Energy: 1.5953013031682843
Energy: 1.6023697553188543
Energy: 1.5911268303213166
Energy: 1.5601404797969063
Energy: 1.5663151831588762
Energy: 1.5924057023206182
Energy: 1.5432723673932822
Energy: 1.5816891339304635
Energy: 1.6198671099228035
Energy: 1.586861470393998
Energy: 1.601804553062173
Energy: 1.6097133772498298
Energy: 1.5557771469731918
Energy: 1.592762901900256
Energy: 1.542319710254042
Energy: 1.7235607220216587
Energy: 1.7617888593974673
Energy: 1.5425798220183775
Energy: 1.6817527917524213
Energy: 1.67279739884026
Energy: 1.6647512374199318
Energy: 1.6311283789523887
Energy: 1.6691195826461014
Energy: 1.6356459988681125
Energy: 1.6398924391612855
Energy: 1.6541459585970633
Energy: 1.831978302934866
Energy: 1.5560188267602801
Energy: 1.5803220146374655
Energy: 1.7270657488391552
Energy: 1.5738370595215685
Energy: 1.5523538873463663
Energy: 1.7301919094263676
Energy: 1.5540622947384042
Energy: 1.579286179921382
Energy: 1.5264723704924705
Energy: 1.5738082427931828
Energy: 1.5792908835649828
Energy: 1.9749467580468927
Energy: 1.6341122710822025
Energy: 1.6133036224149924
Energy: 1.598814334110185
Energy: 1.7286724730610166
Energy: 1.6134851015860752
Energy: 1.520536301014111
Energy: 1.8611580813178656
Energy: 1.5203777860732428
Energy: 1.5223419707781392
Energy: 1.6691426072124909
Energy: 1.855899508483493
Energy: 1.834688374415419
Energy: 1.7906746470320658
Energy: 1.9990230148794188
Energy: 1.4792454641666508
Energy: 1.753378933546763
Energy: 1.5489159175220883
Energy: 2.0184332518071018
Energy: 1.7363061000256446
Energy: 1.773522661547742
Energy: 1.829519978694003
Energy: 1.5167345140827286
Energy: 1.9585067579655815
Energy: 1.698974105964688
Energy: 1.6383712545350249
Energy: 1.5414874397855314
Energy: 1.511175903754496
Energy: 1.6315126505215305
Energy: 1.5762961017912132

minimum gb energy = 1.4625173404075194 eV
minimum distance =  2.27762612117161 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 2.6543475564229913
Energy: 1.498910678585131
Energy: 1.4898291326950006
Energy: 1.4240323016774228
Energy: 1.6476483093899466
Energy: 2.800517792222162
Energy: 1.5414891986179498
Energy: 1.4874543918892498
Energy: 1.4823824818125815
Energy: 1.4733784026047663
Energy: 1.4923119320767282
Energy: 1.4803202266249862
Energy: 1.5466385392728301
Energy: 1.4763492184111586
Energy: 1.4801258690030983
Energy: 1.5361240084009247
Energy: 1.5715362255389498
Energy: 1.4850489813623673
Energy: 1.5422660469236247
Energy: 1.4746278526855459
Energy: 1.4841737233443633
Energy: 1.493287904126071
Energy: 1.569606768854738
Energy: 1.4830587136488997
Energy: 1.4758956260228013
Energy: 1.4619445652517502
Energy: 1.4789722571149344
Energy: 1.4832414591878398
Energy: 1.5373277261082088
Energy: 1.4922024596874648
Energy: 1.5601403697051262
Energy: 1.4847201253908786
Energy: 1.5713906864606881
Energy: 1.5618637667719681
Energy: 1.4745140230290157
Energy: 1.5693191467128376
Energy: 1.5121279961513494
Energy: 1.5180643308488624
Energy: 1.4331822834883312
Energy: 1.5342242542261455
Energy: 1.4216936553463122
Energy: 1.4472754214649548
Energy: 1.5238308447040194
Energy: 1.4936166482492406
Energy: 1.4793883859760315
Energy: 1.5245342517267442
Energy: 1.499022901869024
Energy: 1.4819666262268443
Energy: 1.4562551979937466
Energy: 1.4811029425599975
Energy: 1.4813343352280948
Energy: 1.462781433088767
Energy: 1.5062781643086012
Energy: 1.4816046812602512
Energy: 1.490330669222763
Energy: 1.5157123089293183
Energy: 1.4818065656895913
Energy: 1.5042074352068406
Energy: 1.5133082496085177
Energy: 1.4838468886935172
Energy: 1.5355915737195194
Energy: 1.999217428299216
Energy: 1.4723125284915342
Energy: 1.5362812980731442
Energy: 1.9974760482545741
Energy: 1.4491359636343897
Energy: 1.5306640873224677
Energy: 1.4656127442202582
Energy: 1.4788511080495848
Energy: 1.480271989673115
Energy: 1.4625928394768979
Energy: 1.4784044954584337
Energy: 1.5337909528240554
Energy: 1.5042138256237776
Energy: 1.440605992234215
Energy: 1.4236363191430985
Energy: 1.5203829715263284
Energy: 1.484901006945661
Energy: 1.6298465311612356
Energy: 1.5200640609285914
Energy: 1.4848183595371058
Energy: 1.4260437062891116
Energy: 1.5179596135792959
Energy: 1.4839875049471276
Energy: 1.5302019909922453
Energy: 1.4303511328538816
Energy: 1.4270470362010026
Energy: 1.5306286944149254
Energy: 1.4283299998828063
Energy: 1.4738110558393178
Energy: 1.5306052788843614
Energy: 1.454462753259454
Energy: 1.4775133371346902
Energy: 1.5124104235158367
Energy: 1.4289171081290624
Energy: 1.4773357862302547
Energy: 1.4919561809085475
Energy: 1.4962294407192207
Energy: 1.4235306556929748
Energy: 1.430150773624758
Energy: 1.5378346940603413
Energy: 1.4156117768849694
Energy: 1.574888241850718
Energy: 1.4488278817774713
Energy: 1.4860118763484556
Energy: 1.4221216037424091
Energy: 1.4956313495728126
Energy: 1.477348759076298
Energy: 1.5376282132037482
Energy: 1.425187332154513
Energy: 1.4235425736248193
Energy: 1.5201448928815384
Energy: 1.4254161330408535
Energy: 1.4857549782553237
Energy: 1.5359744368197217
Energy: 1.4255021467674462
Energy: 1.423922268757095
Energy: 1.4911887032031517
Energy: 1.4254886762880186
Energy: 1.4753964237194803
Energy: 1.4259133540057936
Energy: 1.4485808863773306
Energy: 1.4754802124961084
Energy: 1.4275275520816413
Energy: 1.4663178185256482
Energy: 1.4776801962238717
Energy: 1.426560195545835
Energy: 1.4352245852517294
Energy: 1.4509233160545654
Energy: 1.4276922575448576
Energy: 1.4864873185802794
Energy: 1.454148284961543
Energy: 1.5143555099914285
Energy: 1.4173256842684885
Energy: 1.4756757142368517
Energy: 1.5480250223126337
Energy: 1.4200614284290765
Energy: 1.4933114608416327
Energy: 1.5552990510808147
Energy: 1.41939196819414
Energy: 1.4724531463916668
Energy: 1.5296619055593497
Energy: 1.4179099762174405
Energy: 1.4713923417643797
Energy: 1.5397833152313738
Energy: 1.4344164568393627
Energy: 1.418635619536633
Energy: 1.4605351022848159
Energy: 1.5014309776548436
Energy: 1.452599927963051
Energy: 1.486450685528263
Energy: 1.4339318637264111
Energy: 1.4195756815012766
Energy: 1.4563626248860677
Energy: 1.4377574272788602
Energy: 1.4748863734657396
Energy: 1.5471439175239494
Energy: 1.4880709333129758
Energy: 1.4971344657553434
Energy: 1.5282950626217267
Energy: 1.4659445948111176
Energy: 1.483527138607472
Energy: 1.5464762759732997
Energy: 1.46550413146292
Energy: 1.472172690399325
Energy: 1.5053789883560746
Energy: 1.4702906869900438
Energy: 1.479720674614504
Energy: 1.574279322082208
Energy: 1.4878623753678957
Energy: 1.4857336827802026
Energy: 1.4143209817252245
Energy: 1.5532418102462726
Energy: 1.470677413890521

minimum gb energy = 1.4143209817252245 eV
minimum distance =  2.29300592166824 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 2.395436622345259
Energy: 1.5040833702931877
Energy: 2.7918479706150205
Energy: 1.3546952707892619
Energy: 1.5004868024279918
Energy: 1.3808285010799326
Energy: 1.6156931008465414
Energy: 1.4346338902359805
Energy: 1.4126288111492231
Energy: 1.4085703645721175
Energy: 1.454598676219184
Energy: 1.4127832751924987
Energy: 1.537430546165091
Energy: 1.403699924707054
Energy: 1.4018044487237598
Energy: 1.445063283944839
Energy: 1.3887671852842145
Energy: 1.4590952555221888
Energy: 1.5190257815003292
Energy: 1.4139826276257432
Energy: 1.4154535336895997
Energy: 1.4546053707630415
Energy: 1.3995263767624164
Energy: 1.414478117768683
Energy: 1.4088613708581146
Energy: 1.4329543096362447
Energy: 1.4262022898323803
Energy: 1.4121811970355156
Energy: 1.5135359384713876
Energy: 1.4436804659140225
Energy: 1.475582337725449
Energy: 1.4935765776681935
Energy: 1.489940265053514
Energy: 1.509478883541888
Energy: 1.4626032486897178
Energy: 1.4889102702469923
Energy: 1.4913212586851168
Energy: 1.4133236593924374
Energy: 2.577644932634163
Energy: 1.502511497545101
Energy: 1.3839561581061106
Energy: 1.423511185772876
Energy: 1.3855904371762666
Energy: 1.4104111377604367
Energy: 1.412017313735435
Energy: 1.4574096585826384
Energy: 1.4745560706112186
Energy: 1.4135317296519925
Energy: 1.38682591869189
Energy: 1.4270017604056586
Energy: 1.4127452291154199
Energy: 1.389410011367021
Energy: 1.442330330699134
Energy: 1.4116483717786228
Energy: 1.3856822166380494
Energy: 1.4889814612239642
Energy: 1.4757467036732643
Energy: 1.3866328707888345
Energy: 1.4930441003653117
Energy: 1.472887279591933
Energy: 1.5302565156762897
Energy: 1.362422045855112
Energy: 1.3531862359517115
Energy: 1.4779930998087234
Energy: 2.406394486963745
Energy: 2.345511019108351
Energy: 1.5424536409427965
Energy: 1.4182746916389262
Energy: 1.4199464631287422
Energy: 1.4702530426373246
Energy: 1.4619990366554623
Energy: 1.4192453296866072
Energy: 1.4349408597054238
Energy: 1.4430528628340793
Energy: 1.444233504220421
Energy: 1.3812948980879578
Energy: 1.449450233580395
Energy: 1.4286079387593464
Energy: 1.433802363312941
Energy: 1.4804316674833584
Energy: 1.4766500927251878
Energy: 1.4530825479016274
Energy: 1.4428463349488236
Energy: 1.4215824609281753
Energy: 1.5362398619660336
Energy: 1.4000999264460294
Energy: 1.400221311641803
Energy: 1.4438220217435882
Energy: 1.3869354676211143
Energy: 1.4011183004309502
Energy: 1.5377944745528704
Energy: 1.408265802563216
Energy: 1.413878223924497
Energy: 1.4269245893226856
Energy: 1.407580126854416
Energy: 1.4144855768742803
Energy: 1.4516778065854687
Energy: 1.4967177152768234
Energy: 1.4599980521468094
Energy: 1.3515870393341347
Energy: 1.5012022853293898
Energy: 1.348727902124254
Energy: 1.6185739866008313
Energy: 1.4359150159809508
Energy: 1.4264511492062535
Energy: 1.456791573855745
Energy: 1.4579195519351051
Energy: 1.455522104806028
Energy: 1.537144680842413
Energy: 1.4101161966837503
Energy: 1.4024494415104798
Energy: 1.4321767188872225
Energy: 1.391636495648357
Energy: 1.4129070492922624
Energy: 1.5176170677954375
Energy: 1.3879091003103794
Energy: 1.4121600880787577
Energy: 1.5211258956395408
Energy: 1.3890327056078362
Energy: 1.4143121690708793
Energy: 1.412356706591752
Energy: 1.4365800789378143
Energy: 1.426401881041353
Energy: 1.415186692380536
Energy: 1.4351371453406494
Energy: 1.4149868648072397
Energy: 1.4610795161793033
Energy: 1.4143684483182726
Energy: 1.4146561851306505
Energy: 1.4385828144542367
Energy: 1.4615482387151832
Energy: 1.4120584084136925
Energy: 1.4645743847391752
Energy: 1.4110804807818038
Energy: 1.4169665432087417
Energy: 1.4683790117622495
Energy: 1.384023083967329
Energy: 1.4082668651523862
Energy: 1.4874199374772992
Energy: 1.4122450099289645
Energy: 1.4123715247783295
Energy: 1.5024391168918612
Energy: 1.4091019486430818
Energy: 1.4270432521423866
Energy: 1.384736657975114
Energy: 1.4575499674914412
Energy: 1.4142283966177276
Energy: 1.3853964718180294
Energy: 1.4239310811140096
Energy: 1.4120110832168398
Energy: 1.3872618007258606
Energy: 1.4206948290853378
Energy: 1.4192660283133984
Energy: 1.389310472873702
Energy: 1.4767915445785
Energy: 1.4193506186689009
Energy: 1.5075096682412075
Energy: 1.360653067970042
Energy: 1.3521397019411847
Energy: 1.4436019165933336
Energy: 1.3560022218026624
Energy: 1.4514422928842363
Energy: 1.5397125819926565
Energy: 1.35416015138304
Energy: 1.3541965506392122
Energy: 1.4675747571790274
Energy: 1.407047846491675
Energy: 1.4603942138060557
Energy: 1.4342784671131938
Energy: 1.4430565915070508
Energy: 1.4750767346556752
Energy: 1.3828321402775448
Energy: 1.4671353874891233
Energy: 1.4207814513046009
Energy: 1.4361617325911946
Energy: 1.4433106125939017
Energy: 1.4765811767364945
Energy: 1.3831585623281097
Energy: 1.4450284667133169
Energy: 1.4233445208290414
Energy: 1.5422598545683486
Energy: 1.3976172258587778
Energy: 1.4001400659276522
Energy: 1.478849757552878
Energy: 1.3915192895797066
Energy: 1.4057700153634642
Energy: 1.536875823873963
Energy: 1.407883327860454
Energy: 1.4107678273670643
Energy: 1.4617208391816863
Energy: 1.3884630413572603
Energy: 1.4130906648978943
Energy: 1.4525410499531917
Energy: 1.435994739750938
Energy: 1.4866002675788104
Energy: 1.4031134346351366
Energy: 1.4354202475768412
Energy: 1.4559450649216474

minimum gb energy = 1.348727902124254 eV
minimum distance =  2.28328705391464 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.020482209161336723
Energy: 1.2043400299548939
Energy: 0.021236712990108892
Energy: 0.02289610624648328
Energy: 1.206780415819895
Energy: 0.021055748333251884
Energy: 0.7330795344620099
Energy: 0.17526996945304157
Energy: 0.17534958540486154
Energy: 0.1731314469263363
Energy: 0.17749743067398605
Energy: 0.1751305970225719
Energy: 1.76547228641307
Energy: 1.204333753573533
Energy: 1.2163783426306516
Energy: 1.2144302983857895
Energy: 1.2091207656092373
Energy: 1.2014023528603661
Energy: 0.7330795344624776
Energy: 0.17526996945350934
Energy: 0.17534958540626483
Energy: 0.1731314469245172
Energy: 0.17749743067715648
Energy: 0.17513059701934947

minimum gb energy = 0.020482209161336723 eV
minimum distance =  2.45589635482412 Angstroms
sigma value = 1