Model name: model_name=Sim_LAMMPS_EAM_BonnyCastinBullens_2013_FeCrW__SM_699257350704_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553245961666107
cohesive_energy=4.122759350632683
mass=55.845
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.460228174882739e-19, -1.493475358089636e-18, -2.3894061231159e-18, -4.01869158576318e-18, -7.22025706642002e-18, -1.3768641361372139e-17, -2.8149442371062997e-17]
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: 0.01274412949821766
Energy: 0.2150851814090693
Energy: 0.2144529562604275
Energy: 0.2144037470197081
Energy: 0.21549841849559712
Energy: 0.0129108118803927
Energy: 0.2150851814071144
Energy: 0.9278159119143405
Energy: 0.927835892388969
Energy: 0.2144436420925059
Energy: 0.9274153243231845
Energy: 0.2144135062742564
Energy: 0.2144529562604275
Energy: 0.9278358924327023
Energy: 0.9279268834100646
Energy: 0.012952647160088449
Energy: 0.21441365336681245
Energy: 0.9278068217788707
Energy: 0.21440375073877038
Energy: 0.21444364209055106
Energy: 0.012952647160088449
Energy: 0.012869724543778195
Energy: 0.21489315849007
Energy: 0.21446783506776446
Energy: 0.21549841849509443
Energy: 0.9274150107398664
Energy: 0.21441365336681245
Energy: 0.21489315848959528
Energy: 0.9273167536446528
Energy: 0.21447197427243803
Energy: 0.012910811879890016
Energy: 0.21441350627523384
Energy: 0.9278068217788707
Energy: 0.21446733224881967
Energy: 0.2144719742626078
Energy: 0.01288714732484586

minimum gb energy = 0.01274412949821766 eV
minimum distance =  2.47172929147002 Angstroms
sigma value = 1


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

Energy: 1.811812533304726
Energy: 1.2379379699244886
Energy: 1.31989912390828
Energy: 1.2262420459570003
Energy: 1.269409774269472
Energy: 1.2599602256748779
Energy: 1.19897365647631
Energy: 1.3344852604668356
Energy: 1.214027115077748
Energy: 1.200810677922281
Energy: 1.2334557162648283
Energy: 1.3207815439017405
Energy: 1.1342596906867182
Energy: 1.2305188945749657
Energy: 1.3684822269259485
Energy: 1.261802555602539
Energy: 1.235633285495606
Energy: 1.221580218489047
Energy: 1.192076705310099
Energy: 1.2152785358580716
Energy: 1.2853574271808619
Energy: 1.385278622927688
Energy: 1.240465755495575
Energy: 1.2056674121050395
Energy: 1.2423693770100652
Energy: 1.2171558174805288
Energy: 1.3094510606266587
Energy: 1.2006579224844256
Energy: 1.2923283390491027
Energy: 1.2805525397643636
Energy: 1.2711161121210148
Energy: 1.2867234057909114
Energy: 1.2862380414100396
Energy: 1.1991628532740803
Energy: 1.2846072083310043
Energy: 1.2845727656570745
Energy: 1.2561621094230262
Energy: 1.2849869120899777
Energy: 1.2845875079229399
Energy: 1.3254583773939268
Energy: 1.2846287602895443
Energy: 1.2857310395616348
Energy: 1.1548942072860695
Energy: 1.1557018683915532
Energy: 1.1998259111441367
Energy: 1.1302226610968154
Energy: 1.3590159842196208
Energy: 1.1561376160583257
Energy: 1.1155612808154431
Energy: 1.2852451322564495
Energy: 1.3018582065524917
Energy: 1.2007835909628708
Energy: 1.2878985462951964
Energy: 1.2846395955375036
Energy: 1.120597818386191
Energy: 1.283928665077859
Energy: 1.2855298552657077
Energy: 1.1998830702280034
Energy: 1.2845653365296545
Energy: 1.2985907380375845
Energy: 1.1550123179907994
Energy: 1.1562384217670474
Energy: 1.207972920693529
Energy: 1.1321791361853963
Energy: 1.2030310304372633
Energy: 1.158180805434662
Energy: 1.194028676736301
Energy: 1.212257542540551
Energy: 1.2747863905811747
Energy: 1.116291767018606
Energy: 1.2359497266613835
Energy: 1.1930713125021435
Energy: 1.2005248634633956
Energy: 1.2125499139473115
Energy: 1.268196565570558
Energy: 1.3530899731758546
Energy: 1.217133975123627
Energy: 1.2685392324565639
Energy: 1.1978650326989648
Energy: 1.20493145753116
Energy: 1.2049568696740889
Energy: 1.1322477510658977
Energy: 1.214042672290596
Energy: 1.2024937419379684
Energy: 1.128500203533842
Energy: 1.207137302270495
Energy: 1.2097709283904872
Energy: 1.2001035923193089
Energy: 1.2098157633406363
Energy: 1.2856686337065253
Energy: 1.1301280527517337
Energy: 1.1983793903089701
Energy: 1.20624662358844
Energy: 1.1942289676468725
Energy: 1.233004190704851
Energy: 1.308422511598705
Energy: 1.1997833894570458
Energy: 1.2223369677351164
Energy: 1.2503929812704049
Energy: 1.2460177982820981
Energy: 1.2884231486939617
Energy: 1.212567977059356
Energy: 1.1981958318620944
Energy: 1.287576870340583
Energy: 1.2846675654203585
Energy: 1.283962538916846
Energy: 1.288851065189166
Energy: 1.3703190613561966
Energy: 1.2000688178393233
Energy: 1.2888253272742578
Energy: 1.373866819864236
Energy: 1.2555427131414918
Energy: 1.2882712267771141
Energy: 1.3192964053566727
Energy: 1.2245156807195223
Energy: 1.2850666683968435
Energy: 1.154892133453946
Energy: 1.2443156650201848
Energy: 1.2863959376493186
Energy: 1.381117912143726
Energy: 1.1981139676363401
Energy: 1.2847941858289842
Energy: 1.300782379757358
Energy: 1.300189394337679
Energy: 1.2883631576498353
Energy: 1.2852468457690875
Energy: 1.13139133212404
Energy: 1.284394923077874
Energy: 1.2847774293002638
Energy: 1.1185951149005302
Energy: 1.2881203742477767
Energy: 1.2093492634581386
Energy: 1.121092743986032
Energy: 1.3259606914149735
Energy: 1.1949123741852428
Energy: 1.1930481105540724
Energy: 1.2256698555554657
Energy: 1.2995026687098532

minimum gb energy = 1.1155612808154431 eV
minimum distance =  2.19234261603745 Angstroms
sigma value = 33


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

Energy: 2.322279091017079
Energy: 1.2833739346131927
Energy: 1.205314713893909
Energy: 1.2473891261886298
Energy: 1.2781500621694244
Energy: 1.3470228190527593
Energy: 1.3683940945408313
Energy: 1.4905112413005874
Energy: 1.2553926926672618
Energy: 1.228320431469702
Energy: 1.2247008821232785
Energy: 1.3197153069512988
Energy: 1.365890888926913
Energy: 1.3039382509371817
Energy: 1.2994086707257324
Energy: 1.2458531863724052
Energy: 1.2991379497664677
Energy: 1.3741580756665648
Energy: 1.301506153078501
Energy: 1.2937005908097579
Energy: 1.29580241151863
Energy: 1.4474416054585082
Energy: 1.296043316291339
Energy: 1.3043724981389508
Energy: 1.3518680898016975
Energy: 1.2923303027005446
Energy: 1.3380063647434082
Energy: 1.4179872535673859
Energy: 1.5037884292756811
Energy: 1.3423270057709948
Energy: 1.2262605572245144
Energy: 1.3633816287158544
Energy: 1.36056370943021
Energy: 1.2277596407103764
Energy: 1.3615167925140093
Energy: 1.3652546545562316
Energy: 1.2263357902510374
Energy: 1.3632355452002496
Energy: 1.3607326616812578
Energy: 1.4870115314196097
Energy: 1.3618345129610865
Energy: 1.3630875549709354
Energy: 1.2276189097539558
Energy: 1.221499050952536
Energy: 1.2588788456686788
Energy: 1.2286100118136998
Energy: 1.3596534960334816
Energy: 1.2196462903669854
Energy: 1.324647593988009
Energy: 1.2976800496454668
Energy: 1.3118259285349398
Energy: 1.3026640094915067
Energy: 1.2970474662888551
Energy: 1.4396851326529756
Energy: 1.1675078938248526
Energy: 1.2987229864625043
Energy: 1.33373588059821
Energy: 1.3598201256618483
Energy: 1.295424770538548
Energy: 1.3339816298296734
Energy: 1.3187986312398883
Energy: 1.3425340561628494
Energy: 1.310688085502003
Energy: 1.3185279496091518
Energy: 1.3049565949653485
Energy: 1.2391752180207858
Energy: 1.2277433508382218
Energy: 1.2196222997213406
Energy: 1.2241801691285186
Energy: 1.1976865532863612
Energy: 1.2404624086040137
Energy: 1.2217559344945303
Energy: 1.2018162335548903
Energy: 1.2208095209448138
Energy: 1.2395551558255116
Energy: 1.1981572606150803
Energy: 1.2401839345851473
Energy: 1.2232298976989369
Energy: 1.2881270540244576
Energy: 1.2872496515141119
Energy: 1.3064770668132355
Energy: 1.3669434116158454
Energy: 1.3176211205423152
Energy: 1.2007669730700476
Energy: 1.2272362426085697
Energy: 1.3455705346621845
Energy: 1.3841701781261342
Energy: 1.328922479073626
Energy: 1.3475738796257064
Energy: 1.344845115299635
Energy: 1.2479289934657305
Energy: 1.3467893816491794
Energy: 1.3568465940477874
Energy: 1.4387604174124202
Energy: 1.3447859088065295
Energy: 1.4178442046574236
Energy: 1.2836881928341228
Energy: 1.1989835592202063
Energy: 1.485118491563155
Energy: 1.3662975686530991
Energy: 1.3843954504347848
Energy: 1.2880477473447163
Energy: 1.1653877795040883
Energy: 1.3443885093680936
Energy: 1.3450995434485309
Energy: 1.4376221961081583
Energy: 1.3479044743981112
Energy: 1.3599722439634188
Energy: 1.1653296171253515
Energy: 1.3451289312977044
Energy: 1.3457859133972299
Energy: 1.3630603088658613
Energy: 1.3456488271326816
Energy: 1.3471922069558488
Energy: 1.2021265516373958
Energy: 1.2039519251216748
Energy: 1.3236557263910553
Energy: 1.367790411637772
Energy: 1.5010122013676384
Energy: 1.2057566949800818
Energy: 1.2034689080110925
Energy: 1.2244499156762998
Energy: 1.263988804788508
Energy: 1.4260909836012052
Energy: 1.2504586536674949
Energy: 1.2022121346761823
Energy: 1.2291569279907184
Energy: 1.2252513135926588
Energy: 1.3599078378786738
Energy: 1.2669118396307848
Energy: 1.2248443437322323
Energy: 1.2535112945884817
Energy: 1.4172580467673217
Energy: 1.5012386036939234
Energy: 1.3121395599366774
Energy: 1.3202497676488316
Energy: 1.3001686456479336
Energy: 1.35026962424102
Energy: 1.1978553809178476
Energy: 1.2979409252872347
Energy: 1.3773951061719205
Energy: 1.304292998577339
Energy: 1.2992096103046775
Energy: 1.3498090204494655
Energy: 1.417593655603291
Energy: 1.500991906867503
Energy: 1.2999634603496901
Energy: 1.3402200979571144
Energy: 1.3032607810132288
Energy: 1.347756595884585
Energy: 1.2268310965649378
Energy: 1.3622826813907587
Energy: 1.3628484357313864
Energy: 1.2271706860043845
Energy: 1.362468057932024
Energy: 1.2621968145598252
Energy: 1.2841909142929209
Energy: 1.3600528778337349
Energy: 1.3613472885016067
Energy: 1.435256676606316
Energy: 1.3642601541324921
Energy: 1.3622006431971667
Energy: 1.2267177684741304
Energy: 1.368626701199453
Energy: 1.2283502707595972
Energy: 1.2267135639829532
Energy: 1.3620515244980993
Energy: 1.3974872901157362
Energy: 1.304539227036081
Energy: 1.3234449353194364
Energy: 1.4228241028026347
Energy: 1.3572870585445442
Energy: 1.3013200408964845
Energy: 1.3916589112291144
Energy: 1.3279703160940508
Energy: 1.3376631170554139
Energy: 1.3325402572247331
Energy: 1.4013851837048228
Energy: 1.2995580746725695
Energy: 1.3897964399511373
Energy: 1.3186776408586625
Energy: 1.2998071983450117
Energy: 1.351062547522165
Energy: 1.3222466465916793
Energy: 1.298411401495904
Energy: 1.337436685072432
Energy: 1.3921298074695168
Energy: 1.223973756866387
Energy: 1.2516754658930935
Energy: 1.2488642453077543
Energy: 1.224226703333371
Energy: 1.5516249639859767
Energy: 1.2938547595588243
Energy: 1.2325739282053076
Energy: 1.233264382334211
Energy: 1.2015877259684529
Energy: 1.2183287467787578
Energy: 1.2977040359975702
Energy: 1.3686055089292795
Energy: 1.305378840843011
Energy: 1.2687933001831657
Energy: 1.201423608730262
Energy: 1.2179441736929455
Energy: 1.3212104747291211
Energy: 1.328903893790562
Energy: 1.3851248011410742
Energy: 1.3438917305900853
Energy: 1.225613447004077
Energy: 1.3469119730512265
Energy: 1.4247805166988583
Energy: 1.3265455454981403
Energy: 1.3461817321801568
Energy: 1.3448225029305192
Energy: 1.2458299461343552
Energy: 1.3441378544622453
Energy: 1.356327801716937
Energy: 1.3194927989440897
Energy: 1.3355764810642015
Energy: 1.1990627966690162
Energy: 1.3812517120362813
Energy: 1.199649414987204
Energy: 1.342339096744998
Energy: 1.329149485739009
Energy: 1.345880030440435
Energy: 1.3465095605384336
Energy: 1.1669844376906477
Energy: 1.3450850816336233
Energy: 1.4149271708156175
Energy: 1.3304657425243174
Energy: 1.344194152910018
Energy: 1.3444556250524327
Energy: 1.2987157319216316
Energy: 1.3475085397937177
Energy: 1.4468942384179933
Energy: 1.3679056278168173
Energy: 1.3023569391008072
Energy: 1.2031259520568387
Energy: 1.2043250584754903
Energy: 1.2025904560390277
Energy: 1.3133282518761902
Energy: 1.1639036912235148
Energy: 1.2487004957052528
Energy: 1.24224479328587
Energy: 1.2027005363595684
Energy: 1.2475271323297465
Energy: 1.3352614043353892

minimum gb energy = 1.1639036912235148 eV
minimum distance =  2.19995212539597 Angstroms
sigma value = 51


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

Energy: 2.4343342001505874
Energy: 1.3437515840248
Energy: 1.493695772821413
Energy: 1.3730937738300384
Energy: 1.409995349597236
Energy: 1.3436175018178484
Energy: 1.2059855495147704
Energy: 1.4870327059166817
Energy: 1.3597927130425778
Energy: 1.4217487289548165
Energy: 1.3425771200406023
Energy: 1.3872496828919492
Energy: 1.2074283507775019
Energy: 1.3434469261364592
Energy: 1.3575635186357435
Energy: 1.442611265188746
Energy: 1.356134438726186
Energy: 1.3432114850350716
Energy: 1.3325637923433904
Energy: 1.3366019702413843
Energy: 1.3566511240200794
Energy: 1.388181299463896
Energy: 1.3564928013667512
Energy: 1.338217565473892
Energy: 1.2460594183267126
Energy: 1.3524664559632642
Energy: 1.4534490394446473
Energy: 1.439039280212073
Energy: 1.490309288587172
Energy: 1.3828231338111414
Energy: 1.2062281284368628
Energy: 1.4337844438474994
Energy: 1.603077316205938
Energy: 1.4228872728078752
Energy: 1.4461999044970493
Energy: 1.4344374911709594
Energy: 1.1595171004422458
Energy: 1.4224732691375754
Energy: 1.4219585466638578
Energy: 1.6327793575764296
Energy: 1.4222223727258663
Energy: 1.421528250555547
Energy: 1.2875358932696748
Energy: 1.1586724877700856
Energy: 1.555007972129744
Energy: 1.5740477549576244
Energy: 1.5439395485489948
Energy: 1.157375960204224
Energy: 1.1857162876688865
Energy: 1.3489980514178699
Energy: 1.3491908362320104
Energy: 1.4885501331888193
Energy: 1.3468999604541385
Energy: 1.3467442548332609
Energy: 1.1582239906940552
Energy: 1.349247086065152
Energy: 1.5033461150187213
Energy: 1.5324009795993383
Energy: 1.3452194915947253
Energy: 1.3455856504859607
Energy: 1.1579581241380021
Energy: 1.1579022460236899
Energy: 1.430736777690735
Energy: 1.5211964850500974
Energy: 1.3465056215972004
Energy: 1.1580031306408234
Energy: 1.1563520272961971
Energy: 1.333421809147525
Energy: 1.3263104256465337
Energy: 1.2909423460538576
Energy: 1.3274681359887939
Energy: 1.1564018085663499
Energy: 1.1967736778603264
Energy: 1.3342081259933087
Energy: 1.3714478774608931
Energy: 1.288996948494994
Energy: 1.334646529989745
Energy: 1.3289449051559676
Energy: 1.1980943962480723
Energy: 1.3558045273854356
Energy: 1.447062674640834
Energy: 1.3725527728032687
Energy: 1.5096090319324356
Energy: 1.1988388632504872
Energy: 1.4062458798311623
Energy: 1.457682812337838
Energy: 1.5470320227345664
Energy: 1.4795043370262886
Energy: 1.4471155798335966
Energy: 1.457421455474456
Energy: 1.2064425359543942
Energy: 1.452180684598335
Energy: 1.4455337345771704
Energy: 1.4354801497696847
Energy: 1.4460776853524755
Energy: 1.463531319582663
Energy: 1.1967132851997047
Energy: 1.508457625702277
Energy: 1.483040969578536
Energy: 1.4296297723096856
Energy: 1.4838998350394763
Energy: 1.3819466485736696
Energy: 1.3138375553823765
Energy: 1.3481511797064556
Energy: 1.3398878169611617
Energy: 1.372964892511596
Energy: 1.3428239651534288
Energy: 1.331695065795972

minimum gb energy = 1.1563520272961971 eV
minimum distance =  2.18173783831128 Angstroms
sigma value = 19


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

Energy: 2.0025746396605046
Energy: 1.3037380326943993
Energy: 1.429702946392427
Energy: 1.3003723793571242
Energy: 1.396596556510324
Energy: 1.3861227939310476
Energy: 1.3652707147114893
Energy: 1.5437370704104483
Energy: 1.3019108214150874
Energy: 1.3408915201965061
Energy: 1.36140854536671
Energy: 1.4775573800112731
Energy: 1.441882056495325
Energy: 1.4132034495553951
Energy: 1.464906999981971
Energy: 1.4143816079888543
Energy: 1.4133750205383944
Energy: 1.4915216016341197
Energy: 1.472943961195176
Energy: 1.4168846550386835
Energy: 1.4142965522437312
Energy: 1.4501653205308345
Energy: 1.4135713630707407
Energy: 1.5003488872009263
Energy: 1.4911895027273985
Energy: 1.4293579714354128
Energy: 1.481982636297507
Energy: 1.3378954293366603
Energy: 1.5192296231394105
Energy: 1.5307529141664589
Energy: 1.4803336381635503
Energy: 1.4491525092724122
Energy: 1.4895611372845894
Energy: 1.2792937151710757
Energy: 1.464803428926917
Energy: 1.4811837183533136
Energy: 1.5190740115482966
Energy: 1.4393673083635
Energy: 1.470570200438531
Energy: 1.457202090100607
Energy: 1.4167723132388101
Energy: 1.5248085088297296
Energy: 1.36490205914178
Energy: 1.415074441985587
Energy: 1.4781663306632409
Energy: 1.337903935282841
Energy: 1.464709271645751
Energy: 1.4506632349740671
Energy: 1.3338553206433363
Energy: 1.362226779410178
Energy: 1.2979118412439732
Energy: 1.3373087023214938
Energy: 1.3068551205596526
Energy: 1.4769552729013293
Energy: 1.3374633918334062
Energy: 1.3094091051481733
Energy: 1.2969480307473005
Energy: 1.3004492252656379
Energy: 1.2969008130203932
Energy: 1.417933358408768
Energy: 1.3658112759357512
Energy: 1.4697390128205132
Energy: 1.3615460070243068
Energy: 1.3420661528778564
Energy: 1.3618458806003282
Energy: 1.4412120272355846
Energy: 1.4430040024498316
Energy: 1.5030957644190517
Energy: 1.4649178524865467
Energy: 1.484189210704127
Energy: 1.4594517930933297
Energy: 1.4754325943706446
Energy: 1.5604624747632254
Energy: 1.4667040233183217
Energy: 1.49307946042118
Energy: 1.4808312258801484
Energy: 1.4732577645104419
Energy: 1.5278992582694109
Energy: 1.364396488369882
Energy: 1.4704721912086771
Energy: 1.4697740162204735
Energy: 1.3655090659739229
Energy: 1.4695597166796845
Energy: 1.4835077232360072
Energy: 1.298859601441443
Energy: 1.3192960600886128
Energy: 1.433943194988621
Energy: 1.4447260778377058
Energy: 1.3661057836188335
Energy: 1.3500750420949894
Energy: 1.3403281930458584
Energy: 1.301003152888153
Energy: 1.3602252908438857
Energy: 1.3289126809515495
Energy: 1.295599620224036
Energy: 1.344097248958668
Energy: 1.2787953149665516
Energy: 1.3630499471937239
Energy: 1.4690165211730202
Energy: 1.3653250025868007
Energy: 1.469362565405444
Energy: 1.3001084561096214
Energy: 1.4846738409378553
Energy: 1.4191121829555777
Energy: 1.4910957935192863
Energy: 1.507399116647477
Energy: 1.4160147030917487
Energy: 1.41321381216678
Energy: 1.44908352255665
Energy: 1.4135293434259104
Energy: 1.4127880048556076
Energy: 1.4696361379454157
Energy: 1.4151592927070828
Energy: 1.465102789549177
Energy: 1.3371327111752336
Energy: 1.4710844382946988
Energy: 1.4329556764911728
Energy: 1.4718029189014474
Energy: 1.4706427322705582
Energy: 1.377438306345915
Energy: 1.33091682914943
Energy: 1.4135997217328375
Energy: 1.4496653902392755
Energy: 1.4699971351932914
Energy: 1.4130785601478577
Energy: 1.4892968990327684
Energy: 1.214528889315525
Energy: 1.4134948967607697
Energy: 1.4385635563559573
Energy: 1.5293833694179533
Energy: 1.4427432511215406
Energy: 1.4572551912248737
Energy: 1.3441683879745294
Energy: 1.363610957637108
Energy: 1.5089610798701572
Energy: 1.364442015540577
Energy: 1.4653024311345955
Energy: 1.3674391801839263
Energy: 1.340656476017239
Energy: 1.2971339343622335
Energy: 1.4170108947060926
Energy: 1.3322138495286913
Energy: 1.3045581561502233
Energy: 1.3402925840498856
Energy: 1.299343784586426
Energy: 1.2957560123264777
Energy: 1.302447535032812
Energy: 1.3322823986908796
Energy: 1.3015977181657614
Energy: 1.2999731989576144
Energy: 1.3007897687182133
Energy: 1.4894260513339843
Energy: 1.504894092693108
Energy: 1.3639361198461375
Energy: 1.4653814517165076
Energy: 1.3685115662412013
Energy: 1.4774067612658859
Energy: 1.4610234735913301
Energy: 1.4888435029709437
Energy: 1.4807939455517163
Energy: 1.4886266476700336
Energy: 1.4651358319544072
Energy: 1.4412504840923834
Energy: 1.4591261406034781
Energy: 1.470366961925717
Energy: 1.5617116026657398
Energy: 1.4530235957716495
Energy: 1.4910343213470996
Energy: 1.3642064169486001
Energy: 1.4691216527373565
Energy: 1.4048100050117267
Energy: 1.3020240233964142
Energy: 1.4810997358660243
Energy: 1.4127718629475639
Energy: 1.2117736180871772
Energy: 1.3010759776051333
Energy: 1.3082200389507883
Energy: 1.2994562155652398
Energy: 1.2980191956280918
Energy: 1.3589089930790001

minimum gb energy = 1.2117736180871772 eV
minimum distance =  2.18554644161391 Angstroms
sigma value = 27


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

Energy: 1.6379295515047825
Energy: 1.3103874145650947
Energy: 1.493098582191585
Energy: 1.2249558540879877
Energy: 1.4323249401762228
Energy: 1.5458710654953667
Energy: 1.188703749675276
Energy: 1.4512568210568164
Energy: 1.364201785189128
Energy: 1.1889472188852905
Energy: 1.3114915764494606
Energy: 1.4514172880823706
Energy: 1.1903485316109044
Energy: 1.3336300395067564
Energy: 1.3567168636655336
Energy: 1.1844952647034215
Energy: 1.3155068818135411
Energy: 1.3643688232743614
Energy: 1.2198416045721774
Energy: 1.3124501748374706
Energy: 1.3162396746042684
Energy: 1.3707477264192163
Energy: 1.3150298407331176
Energy: 1.3093543635559661
Energy: 1.1874863971795335
Energy: 1.3056775463934913
Energy: 1.4826380016554555
Energy: 1.1871133090293775
Energy: 1.3737171159728816
Energy: 1.3067848725752629
Energy: 1.2232418008618093
Energy: 1.3131453009260667
Energy: 1.4507641191723626
Energy: 1.189297511696351
Energy: 1.3787323048630424
Energy: 1.3738290456074724
Energy: 1.2268915534413958
Energy: 1.3104965238676012
Energy: 1.357830618215636
Energy: 1.63571610885316
Energy: 1.3109603055115748
Energy: 1.4910565495394756
Energy: 1.1878846607538867
Energy: 1.3642251115111446
Energy: 1.453480839509351
Energy: 1.1889133473622024
Energy: 1.3806896900961867
Energy: 1.365417924526326
Energy: 1.1881392608906607
Energy: 1.314817597278253
Energy: 1.3318391372573262
Energy: 1.1891840275297014
Energy: 1.3169220400963695
Energy: 1.379561466702847
Energy: 1.1888649186495888
Energy: 1.3145532088690322
Energy: 1.3109813115001223
Energy: 1.3712332424577425
Energy: 1.3146360848020042
Energy: 1.3134233115279683
Energy: 1.1879320174277697
Energy: 1.3793542612840435
Energy: 1.3062572916532311
Energy: 1.1876618541092778
Energy: 1.4492435425132804
Energy: 1.5419489959222663
Energy: 1.167232638227813
Energy: 1.382739898478571
Energy: 1.307984913674686
Energy: 1.219981853520481
Energy: 1.3101394757644855
Energy: 1.4512467496868455

minimum gb energy = 1.167232638227813 eV
minimum distance =  2.22897381540218 Angstroms
sigma value = 9


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

Energy: 1.3516602438060041
Energy: 1.2991446976834646
Energy: 1.2580680569083516
Energy: 1.383153256138411
Energy: 1.2992304102814412
Energy: 1.4437384116917988
Energy: 1.3792658299330862
Energy: 1.5051790767202646
Energy: 1.2968965557037908
Energy: 1.297648632388968
Energy: 1.2974424039168237
Energy: 1.3703631772044662
Energy: 1.4207774354121772
Energy: 1.4862405777991368
Energy: 1.4835300267661287
Energy: 1.3002959186283651
Energy: 1.4931849504380734
Energy: 1.5440505228080157
Energy: 1.2210531200515622
Energy: 1.4855663389717801
Energy: 1.484989203176969
Energy: 1.303111393774639
Energy: 1.4804948788724805
Energy: 1.484196980662185
Energy: 1.3431393239621914
Energy: 1.4840510377823095
Energy: 1.4839900428727213
Energy: 1.4180788295956195
Energy: 1.4842719259110615
Energy: 1.5101329749275607
Energy: 1.3414274530418817
Energy: 1.2964531802683175
Energy: 1.533677598622597
Energy: 1.3696472213185655
Energy: 1.2972301960557926
Energy: 1.2975910058660023
Energy: 1.2730656381412147
Energy: 1.2993152412948576
Energy: 1.3973893357733689
Energy: 1.4490238941026503
Energy: 1.2989101567384111
Energy: 1.2716180048054637
Energy: 1.254006876002826
Energy: 1.2965451435380098
Energy: 1.5346003512919468
Energy: 1.3738434836315025
Energy: 1.2985703778906952
Energy: 1.258796444561288
Energy: 1.2734103980379965
Energy: 1.4634101340091794
Energy: 1.520635811139433
Energy: 1.3710704778368408
Energy: 1.4518929580666313
Energy: 1.495647350136871
Energy: 1.274812554526275
Energy: 1.4642928791108487
Energy: 1.4493740969916296
Energy: 1.3632309195140626
Energy: 1.4528016362966887
Energy: 1.472153968318909
Energy: 1.374270847181114
Energy: 1.485769201668049
Energy: 1.449535306571686
Energy: 1.3603951824006921
Energy: 1.4501222456779261
Energy: 1.4764801733403525
Energy: 1.3749793102336514
Energy: 1.5426076046922919
Energy: 1.3993596031851594
Energy: 1.3712938826316987
Energy: 1.3992075422178414
Energy: 1.3729336679791728
Energy: 1.3393943686319534
Energy: 1.3995902003048653
Energy: 1.3900147556689608
Energy: 1.3257947619177597
Energy: 1.4009496602094076
Energy: 1.4888788136962003
Energy: 1.3775949078672116
Energy: 1.3967014608724324
Energy: 1.3721046688797178
Energy: 1.3543346916223056
Energy: 1.3989673825950693
Energy: 1.4643524966344732
Energy: 1.3787682248770163
Energy: 1.573279887321663
Energy: 1.3842390633515986
Energy: 1.326722881805299
Energy: 1.400040375522112
Energy: 1.494862320390725
Energy: 1.458622871092813
Energy: 1.395562430759285
Energy: 1.407267947570698
Energy: 1.355062683552043
Energy: 1.3984009619625637
Energy: 1.4258357225688782
Energy: 1.3762309427527442
Energy: 1.4013189214538175
Energy: 1.3982868241905684
Energy: 1.3691018055879884
Energy: 1.397708570117383
Energy: 1.4243647172282614
Energy: 1.3737276664539462
Energy: 1.4538742255121644
Energy: 1.5188200739603495
Energy: 1.3711857074433709
Energy: 1.449308223736871
Energy: 1.2991624337511858
Energy: 1.2719167404886265
Energy: 1.473063957346726
Energy: 1.4904190320823751
Energy: 1.3941121335101534
Energy: 1.460379876781681
Energy: 1.5023034692560424
Energy: 1.2741934647559237
Energy: 1.4580284697725276
Energy: 1.5202458275732882
Energy: 1.370549518291064
Energy: 1.4491935870412878
Energy: 1.4862821489509785
Energy: 1.2715708763237634
Energy: 1.261229156180959
Energy: 1.5401072022772648
Energy: 1.3689495075000224
Energy: 1.518731109644367
Energy: 1.258325333998297
Energy: 1.2568803311418555
Energy: 1.2963996107306017
Energy: 1.3655957225589175
Energy: 1.368919282880656
Energy: 1.2968087648307822
Energy: 1.258430999612873
Energy: 1.3418679457517564
Energy: 1.2955538466954328
Energy: 1.4499249580816986
Energy: 1.366712393507266
Energy: 1.2948774203303965
Energy: 1.2946478217795538
Energy: 1.3434301242360283
Energy: 1.4888178466380209
Energy: 1.5203931951637337
Energy: 1.3693033234778982
Energy: 1.5007469493237977
Energy: 1.2967670181118165
Energy: 1.3436635846771146
Energy: 1.5043260110644279
Energy: 1.4875382145104021
Energy: 1.2971103042704966
Energy: 1.4845801401514451
Energy: 1.5364787672065903
Energy: 1.3438779158061482
Energy: 1.4839499320955087
Energy: 1.4852973315257796
Energy: 1.2230431716328864
Energy: 1.4844213650961051
Energy: 1.4838786512530608
Energy: 1.421025996378972
Energy: 1.4755779164556087
Energy: 1.2956344571175278
Energy: 1.2965951082393634
Energy: 1.2960375591972968
Energy: 1.3720912960374503
Energy: 1.4210975904972787
Energy: 1.2957231443474404
Energy: 1.2965006168031699
Energy: 1.334633884012663
Energy: 1.2984499774006177
Energy: 1.3972948962981837
Energy: 1.3713956530547389
Energy: 1.298014011961501
Energy: 1.2949227011373703
Energy: 1.2575230719865407
Energy: 1.2962836398876387
Energy: 1.3966493370450717
Energy: 1.4192631311211057
Energy: 1.5230705329505343
Energy: 1.3631448556565164
Energy: 1.2721091782593368
Energy: 1.4929297904595618
Energy: 1.6129441186918716
Energy: 1.463164286139129
Energy: 1.4497982591997443
Energy: 1.4715383083806637
Energy: 1.2743933584445846
Energy: 1.4495627543386722
Energy: 1.4507372266555418
Energy: 1.4606316117457987
Energy: 1.4585705853660358
Energy: 1.5081705473116016
Energy: 1.2768428752680576
Energy: 1.4641656127154172
Energy: 1.4720888620556118
Energy: 1.4254752969733056
Energy: 1.3967555747510243
Energy: 1.4120290028901008
Energy: 1.371442369358181
Energy: 1.4558080972647793
Energy: 1.3691838684692001
Energy: 1.3758193857902217
Energy: 1.39872177176855
Energy: 1.3966952406062625
Energy: 1.36429755321248
Energy: 1.3995811811665269
Energy: 1.4654764376299212
Energy: 1.3577918792649317
Energy: 1.39715992005121
Energy: 1.3959878941694481
Energy: 1.3678765641393211
Energy: 1.3960450746480424
Energy: 1.3762173729163196
Energy: 1.3226208614400545
Energy: 1.4706077568836855
Energy: 1.5729068718442953
Energy: 1.3711666751237073
Energy: 1.5640215605365435
Energy: 1.3969751841827058
Energy: 1.3591464896615668
Energy: 1.3959350456980493
Energy: 1.3974628960793047
Energy: 1.370407899902688
Energy: 1.398400304178087
Energy: 1.406208150319267
Energy: 1.3371164906239212
Energy: 1.4226970486617372
Energy: 1.4245442985186603
Energy: 1.3613296222356
Energy: 1.3975373918563851
Energy: 1.4825223198260762
Energy: 1.4197710456249262
Energy: 1.3960995074893199
Energy: 1.4400469117415342
Energy: 1.372918585939505
Energy: 1.4497030982437487
Energy: 1.3715173181658997
Energy: 1.3399734793223774
Energy: 1.4556861512074013
Energy: 1.5131130473777061
Energy: 1.2996679050943925
Energy: 1.465095245189149
Energy: 1.4496284079247936
Energy: 1.4243542685922685
Energy: 1.450605734377724
Energy: 1.486591277060762
Energy: 1.3382379698048987
Energy: 1.4485716253722212
Energy: 1.4493852535657223
Energy: 1.4181594982199535
Energy: 1.5218787643196656
Energy: 1.4939041438898237
Energy: 1.2743230370176986
Energy: 1.484333005317053
Energy: 1.5450711141721742
Energy: 1.378838858780395
Energy: 1.2953074416712356
Energy: 1.2950386665161566
Energy: 1.2564129279518976
Energy: 1.2954554079198815
Energy: 1.5913151952856237

minimum gb energy = 1.2210531200515622 eV
minimum distance =  2.21085591343847 Angstroms
sigma value = 57


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

Energy: 2.6006613461540193
Energy: 1.3297149342238075
Energy: 1.2011142436962923
Energy: 1.2011605061562047
Energy: 1.3550413012113844
Energy: 1.3797876336281603
Energy: 1.7097602325245644
Energy: 1.4678655322860465
Energy: 1.174019300971452
Energy: 1.1739174418483207
Energy: 1.329451721015741
Energy: 1.428617850270835
Energy: 1.4842878180648815
Energy: 1.3623104819662186
Energy: 1.4490021366292805
Energy: 1.1760774901432298
Energy: 1.4500252414022088
Energy: 1.3520228120334057
Energy: 1.2745175411857226
Energy: 1.4543071656835858
Energy: 1.449331737592426
Energy: 1.378083858540953
Energy: 1.4505400627251614
Energy: 1.350100915358735
Energy: 1.2772147699841185
Energy: 1.372858491383059
Energy: 1.4757586133623308
Energy: 1.2315583196871527
Energy: 1.4772720734717686
Energy: 1.3526842775274357
Energy: 1.4843495552800159
Energy: 1.3047418320378315
Energy: 1.41524979607804
Energy: 1.1175362198577594
Energy: 1.3069611933904992
Energy: 1.3051352275153176
Energy: 1.372774884327065
Energy: 1.3054394966731486
Energy: 1.3039493170127867
Energy: 1.4693585355863532
Energy: 1.305666824082993
Energy: 1.3053406034748167
Energy: 1.416992730262061
Energy: 1.302822691297347
Energy: 1.4603788703371785
Energy: 1.1195661410766058
Energy: 1.3033915508783598
Energy: 1.3123277885382403
Energy: 1.3671567488607317
Energy: 1.2747239140583204
Energy: 1.4655872303167403
Energy: 1.1168373353543637
Energy: 1.4593180025414527
Energy: 1.284411543832677
Energy: 1.3318424398132307
Energy: 1.3940707232625134
Energy: 1.3941619497177362
Energy: 1.3939323282430398
Energy: 1.3943394175995385
Energy: 1.2744370101142688
Energy: 1.331366483660549
Energy: 1.273296766463259
Energy: 1.394364324353736
Energy: 1.1241528388907278
Energy: 1.393922975015325
Energy: 1.2677536318612752
Energy: 1.6678748865176973
Energy: 1.441857776867146
Energy: 1.3434664880723866
Energy: 1.116544969242004
Energy: 1.4565644085366696
Energy: 1.448708617292675
Energy: 1.616236338384078
Energy: 1.4636093369459013
Energy: 1.3588272944801507
Energy: 1.116302593065732
Energy: 1.4610338165930525
Energy: 1.459641748433932
Energy: 1.6687855156235603
Energy: 1.4386795421826375
Energy: 1.3597636881644406
Energy: 1.271341703512191
Energy: 1.4363243040780374
Energy: 1.4416776518264032
Energy: 1.4850165774361124
Energy: 1.4363240276342257
Energy: 1.1176892534485656
Energy: 1.229217415180163
Energy: 1.3738282658602023
Energy: 1.313725365187467
Energy: 1.55675977459341
Energy: 1.3206459927147824
Energy: 1.3379892299269796
Energy: 1.2308669595943535
Energy: 1.3401530484662203
Energy: 1.477354393433946
Energy: 1.5542401473125742
Energy: 1.3205530387192037
Energy: 1.3015917364239544
Energy: 1.2019317738047486
Energy: 1.3011046711199385
Energy: 1.321103271986256
Energy: 1.7699140683485364
Energy: 1.4617340801957763
Energy: 1.2006519721422781
Energy: 1.1997292393380006
Energy: 1.3034887303509433
Energy: 1.4271404851730116
Energy: 1.6935815864347825
Energy: 1.3294909707545948
Energy: 1.3288336663067768
Energy: 1.2008663383597873
Energy: 1.3284647284108573
Energy: 1.4602043087888283

minimum gb energy = 1.116302593065732 eV
minimum distance =  2.18135146163317 Angstroms
sigma value = 11


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

Energy: 1.8060561456263111
Energy: 1.18185456335742
Energy: 1.0745029541708928
Energy: 1.1825371221628862
Energy: 1.1880240393665857
Energy: 1.2972887492848344
Energy: 1.723852218262808
Energy: 1.322989104332822
Energy: 1.2366258902627134
Energy: 1.2343293081545779
Energy: 1.1840431212247504
Energy: 1.3532864253340655
Energy: 1.4583925465207899
Energy: 1.320217506621844
Energy: 1.3239304104334224
Energy: 1.237795944387434
Energy: 1.32043426932428
Energy: 1.3503847191294327
Energy: 1.5299948883461003
Energy: 1.320706928298559
Energy: 1.323199001966207
Energy: 1.2379414680409
Energy: 1.3200197739914146
Energy: 1.3446477295933368
Energy: 1.520573333470657
Energy: 1.3204750450778973
Energy: 1.3211494754693531
Energy: 1.3459731955777794
Energy: 1.3197052453923503
Energy: 1.3465677651254462
Energy: 1.4612028637260266
Energy: 1.3239433787686592
Energy: 1.3216050286918486
Energy: 1.3464079446515023
Energy: 1.3213739440692651
Energy: 1.3852039524158608
Energy: 1.2589556508055726
Energy: 1.234807882536029
Energy: 1.3223337559921524
Energy: 1.2319097922092515
Energy: 1.3219679574663232
Energy: 1.2331294693298638
Energy: 1.0635872074826098
Energy: 1.3219024106005324
Energy: 1.3212001394894264
Energy: 1.3212223976085642
Energy: 1.3258888840096092
Energy: 1.2370672629330537
Energy: 1.2732948576914744
Energy: 1.1849601873976905
Energy: 1.3514622559767209
Energy: 1.3929499875976108
Energy: 1.321736170935405
Energy: 1.1888064689843942
Energy: 1.2550111479037271
Energy: 1.1809282598730446
Energy: 1.1807937012366891
Energy: 1.3220181589659619
Energy: 1.1830299225268415
Energy: 1.1843092705156488
Energy: 1.0742292391048731
Energy: 1.17896060995412
Energy: 1.179200782804091
Energy: 1.3227992848714434
Energy: 1.1796408177555622
Energy: 1.1792430280535442
Energy: 1.068882369233762
Energy: 1.1817224171462704
Energy: 1.3510046546416452
Energy: 1.3501443570082503
Energy: 1.2920697467394504
Energy: 1.0751176440544468
Energy: 1.076264832462815
Energy: 1.177275452854578
Energy: 1.3260600078239984
Energy: 1.3864174557738713
Energy: 1.1823220321719397
Energy: 1.0735901354642794
Energy: 1.0657026257398656
Energy: 1.235412902332076
Energy: 1.2839235017506885
Energy: 1.3449598645358436
Energy: 1.1843396299185265
Energy: 1.2348251218329438
Energy: 1.258303062264646
Energy: 1.1807492589815685
Energy: 1.3501896243146718
Energy: 1.3222418770794429
Energy: 1.3219341666108348
Energy: 1.2396906737578965
Energy: 1.2619215248067794
Energy: 1.3203453133493477
Energy: 1.3252053102435646
Energy: 1.3863146634176187
Energy: 1.3217982352269089
Energy: 1.3212822872439864
Energy: 1.266382794121734
Energy: 1.3242657047562651
Energy: 1.345296260394888
Energy: 1.3452559588707196
Energy: 1.3203914545466884
Energy: 1.234306051000659
Energy: 1.4509200500181851
Energy: 1.3215338387733306
Energy: 1.3705755927734005
Energy: 1.427348936970761
Energy: 1.3207181115553606
Energy: 1.3220596702418266
Energy: 1.7323193020721994
Energy: 1.3203596088314216
Energy: 1.3848974706346753
Energy: 1.3463900045009787
Energy: 1.3211537848397414
Energy: 1.3673917299507838
Energy: 1.2614753179509492
Energy: 1.320813056324423
Energy: 1.2348416131108217
Energy: 1.189526169598941
Energy: 1.3227355847245048
Energy: 1.321809784632374
Energy: 1.7223141064605967
Energy: 1.3202826099790153
Energy: 1.2370954524399576
Energy: 1.065871933122796
Energy: 1.3198296409191204
Energy: 1.3174198952406957
Energy: 1.469173987093993
Energy: 1.3226053315001687
Energy: 1.1827710184088063
Energy: 1.24291560077669
Energy: 1.182869593697987
Energy: 1.3505228650788963
Energy: 1.7578752715575843
Energy: 1.1810847576344479
Energy: 1.1822382226088721
Energy: 1.0671105899354763
Energy: 1.1816771923979381
Energy: 1.3200337528404553
Energy: 1.7568651299322686
Energy: 1.1785509981856432
Energy: 1.1794989623157834
Energy: 1.076695597347424
Energy: 1.17791748473357
Energy: 1.3261725708621346
Energy: 1.4474449217324352
Energy: 1.2940222643648163
Energy: 1.0732894164672486
Energy: 1.070389287176302
Energy: 1.1841411211024686
Energy: 1.349660132565509
Energy: 1.9947450024584845
Energy: 1.179199313843242
Energy: 1.0715063829769305
Energy: 1.0741482786635064
Energy: 1.179824846697905
Energy: 1.2845988577036906

minimum gb energy = 1.0635872074826098 eV
minimum distance =  2.16795248098497 Angstroms
sigma value = 41


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

Energy: 1.874693896413349
Energy: 1.0863107131609535
Energy: 0.9968153473289264
Energy: 0.9958621407820945
Energy: 1.0850948873785777
Energy: 1.2442796327286794
Energy: 1.7214098629121157
Energy: 1.204104751950774
Energy: 1.1257982258188628
Energy: 1.1228656649471107
Energy: 1.08872242938804
Energy: 1.2351063419433674
Energy: 1.7172679311968333
Energy: 1.2487672014466509
Energy: 1.2043203733153167
Energy: 1.1516167525534697
Energy: 1.2040653647143769
Energy: 1.2827779300223723
Energy: 1.722101168208967
Energy: 1.2035505500845691
Energy: 1.2045181263711267
Energy: 1.1533941780244052
Energy: 1.2034753468061505
Energy: 1.2311593691449714
Energy: 1.7288130971283873
Energy: 1.2031318382350276
Energy: 1.2040259599722232
Energy: 1.247582466679644
Energy: 1.203260142463291
Energy: 1.229689049017939
Energy: 1.713598239926389
Energy: 1.2388257291996707
Energy: 1.259440239161448
Energy: 1.2763865758567938
Energy: 1.2388035110147513
Energy: 1.2393222339940988
Energy: 1.4967546775702527
Energy: 1.2391968284741988
Energy: 1.2386791106674062
Energy: 1.239269492843235
Energy: 1.238415466107535
Energy: 1.2389150799492774
Energy: 1.277637900305375
Energy: 1.2391712224888838
Energy: 1.2388874672493646
Energy: 1.2043214109900346
Energy: 1.2516551387128525
Energy: 1.2293703400161247
Energy: 1.4943456368431816
Energy: 1.2594605848474607
Energy: 1.2398341574628853
Energy: 1.239285407513899
Energy: 1.2390667259938566
Energy: 1.2042008208595882
Energy: 1.4945266916264042
Energy: 1.2459525350047875
Energy: 1.20346270969666
Energy: 1.2379166791431857
Energy: 1.2044586880073398
Energy: 1.2472858650727083
Energy: 1.1404907692508137
Energy: 1.2041243162884245
Energy: 1.2039255872046508
Energy: 1.2742374130568452
Energy: 1.2036242283443284
Energy: 1.1361021688929238
Energy: 1.1448148081322966
Energy: 1.1356242448172047
Energy: 1.2346289973002353
Energy: 1.2386048067207427
Energy: 1.2040308866981804
Energy: 1.1349781603109357
Energy: 1.1325617687598197
Energy: 1.0832981019282626
Energy: 1.204324004346829
Energy: 1.237623429055172
Energy: 1.0884754005512762
Energy: 1.0828063569409476
Energy: 0.993200586035907
Energy: 1.0855107742679575
Energy: 1.2027937702415192
Energy: 1.2046456353834447
Energy: 1.0844020841931223
Energy: 0.9944342680571869
Energy: 0.99448431860635
Energy: 1.0831373492869218
Energy: 1.2350227692293871
Energy: 1.2358664346591128
Energy: 1.1905622380972019
Energy: 1.0827115209714577
Energy: 0.9975330894589474
Energy: 1.0843761952161863
Energy: 1.2130944333333789
Energy: 1.234415591212838
Energy: 1.1904026277843356
Energy: 0.995197550026365
Energy: 0.9933569696234016
Energy: 0.9948241445807505
Energy: 1.1662026702763715
Energy: 1.2307091091265778
Energy: 1.0843363462928142
Energy: 0.9952757506965682
Energy: 1.131685953641491
Energy: 1.1186985448215434
Energy: 1.2123460000990511
Energy: 1.2298023869804204
Energy: 1.087292828175687
Energy: 1.1179202106922872
Energy: 1.1408730646075904
Energy: 1.2042332133499476
Energy: 1.234536232226961
Energy: 1.238478758053568
Energy: 1.2043307063481778
Energy: 1.1491757966206826
Energy: 1.1440269114989927
Energy: 1.2041680822607204
Energy: 1.2035623889660538
Energy: 1.2304585241543438
Energy: 1.204265949729517
Energy: 1.2044529208212074
Energy: 1.4912808294632154
Energy: 1.20577251224225
Energy: 1.2303210563803728
Energy: 1.2301929354861967
Energy: 1.2034315204784893
Energy: 1.2038333366357088
Energy: 1.5019834434033548
Energy: 1.2045630537786178
Energy: 1.24073580785053
Energy: 1.2342376035877058
Energy: 1.2388658483247224
Energy: 1.2042476247137748
Energy: 1.5051512474274393
Energy: 1.238494282100124
Energy: 1.2511313495895489
Energy: 1.2041723596398033
Energy: 1.250934605571087
Energy: 1.2383871345261956
Energy: 1.5126314838160335
Energy: 1.2388575971350324
Energy: 1.2384782855846916
Energy: 1.2835283560220423
Energy: 1.2389827130258335
Energy: 1.238854340741708
Energy: 1.7174354431631094
Energy: 1.238800162644788
Energy: 1.2398051917877217
Energy: 1.246368952182651
Energy: 1.2388542244354281
Energy: 1.2388516325547954
Energy: 1.4952581391296127
Energy: 1.204402511313662
Energy: 1.2459978453649811
Energy: 1.2463598363366204
Energy: 1.20357104188074
Energy: 1.2037842536468801
Energy: 1.4860329010302542
Energy: 1.2045613245812876
Energy: 1.1361329681796808
Energy: 1.1493193357547618
Energy: 1.2038688111583677
Energy: 1.2037669187438937
Energy: 1.7196344213843986
Energy: 1.2124415722239321
Energy: 1.1358419909361703
Energy: 1.1600253513038814
Energy: 1.2033546944174993
Energy: 1.238373826297337
Energy: 1.722609066446847
Energy: 1.205984510283516
Energy: 1.0881175051032836
Energy: 1.125085760306858
Energy: 1.0889809912928452
Energy: 1.235843090846696
Energy: 1.6978081072521911
Energy: 1.0852593294542539
Energy: 1.087057505225168
Energy: 0.9916540586903304
Energy: 1.0849827164025723
Energy: 1.2030977901339073
Energy: 1.7182881362868463
Energy: 1.0890200248921365
Energy: 1.0858212660593016
Energy: 0.9954234868838655
Energy: 1.088139170438742
Energy: 1.2353705507820258
Energy: 1.7189604751127285
Energy: 1.1924657354214687
Energy: 0.9945185537335567
Energy: 0.9945427932643289
Energy: 1.1741741563457533
Energy: 1.2342606773934837
Energy: 1.714651031004765
Energy: 1.0839493260616444
Energy: 0.9951886806638616
Energy: 0.9949856779683366
Energy: 1.0841554903969317
Energy: 1.1660295825494442

minimum gb energy = 0.9916540586903304 eV
minimum distance =  2.16738359577677 Angstroms
sigma value = 33


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

Energy: 1.9406094236621476
Energy: 0.9554628489281517
Energy: 0.8900583186183334
Energy: 1.0259976094218148
Energy: 0.8911089344494199
Energy: 1.0762005598391837
Energy: 2.0144293071825206
Energy: 1.0690866862395412
Energy: 0.9600088843170792
Energy: 0.9772466570145728
Energy: 0.9600753750502741
Energy: 1.0698717287116317
Energy: 2.0307491707946714
Energy: 1.0681450237168293
Energy: 1.0583494766011414
Energy: 0.9961563912370863
Energy: 1.0432269756154462
Energy: 1.0839057309084552
Energy: 1.706213875521449
Energy: 1.04346847968277
Energy: 0.985435023516572
Energy: 0.9923845276294284
Energy: 1.0429240124038255
Energy: 1.0669230510762693
Energy: 1.7068684709997928
Energy: 1.0414865274844458
Energy: 1.0658686626603784
Energy: 1.0658206569286812
Energy: 1.0434032362397423
Energy: 1.0683833917619308
Energy: 2.020916635383955
Energy: 1.0826298868986857
Energy: 1.0841961655338443
Energy: 1.1303177375569202
Energy: 1.0866709313765073
Energy: 1.0840919061587393
Energy: 1.8434897727121797
Energy: 1.1123027318729766
Energy: 1.0840051544199891
Energy: 1.096656956484883
Energy: 1.082930664588686
Energy: 1.1102037535771188
Energy: 1.3816984943041466
Energy: 1.0824211840845606
Energy: 1.093039169763529
Energy: 1.0682059592298303
Energy: 1.0819489970736067
Energy: 1.0934787656021412
Energy: 1.86125556588791
Energy: 1.0974551436157376
Energy: 1.0825547182785935
Energy: 1.0831877148938458
Energy: 1.1136950642854482
Energy: 1.1007469063527928
Energy: 1.6838467859746202
Energy: 1.0965811642494034
Energy: 1.095235583189349
Energy: 1.096747041811751
Energy: 1.0961567058497799
Energy: 1.0950378695138505
Energy: 1.4348308544583308
Energy: 1.0971201197933307
Energy: 1.098234584072906
Energy: 1.1110051076965353
Energy: 1.096922372947254
Energy: 1.0952190680505733
Energy: 1.4306369960618237
Energy: 1.096533795202021
Energy: 1.0962884693342632
Energy: 1.096180829633248
Energy: 1.0969348918844883
Energy: 1.0945115013670668
Energy: 1.5306032963697584
Energy: 1.0838230513818163
Energy: 1.1123614113937255
Energy: 1.0966873547947278
Energy: 1.0820845741050336
Energy: 1.0832025591439425
Energy: 1.283708562801746
Energy: 1.0849751795595088
Energy: 1.0831618270559056
Energy: 1.095196339213606
Energy: 1.0824514799938343
Energy: 1.1014145436037628
Energy: 1.095299146513942
Energy: 1.0834287105806046
Energy: 1.1165124965640405
Energy: 1.098047291312175
Energy: 1.1099805641549936
Energy: 1.1020297136726434
Energy: 1.2452885432084215
Energy: 1.0896478594414356
Energy: 1.084461396499073
Energy: 1.095592140918989
Energy: 1.0838392190214663
Energy: 1.0674246406453987
Energy: 1.2244210335089791
Energy: 1.0650998684552968
Energy: 1.0822931040624224
Energy: 1.084326108999692
Energy: 1.0426494876808723
Energy: 1.0671807182867135
Energy: 1.00284773491932
Energy: 1.0429619930962086
Energy: 1.043990232816107
Energy: 1.097119909218173
Energy: 1.0429961164839106
Energy: 0.9856152166355419
Energy: 1.0330163961993206
Energy: 0.9854130393374558
Energy: 1.0678203565579631
Energy: 1.082306696652195
Energy: 1.043322127971208
Energy: 0.9945480188946383
Energy: 0.9830393081525914
Energy: 0.9727347445680666
Energy: 0.9719334468857161
Energy: 1.0851956176759976
Energy: 0.9529102516138893
Energy: 0.972785946292254
Energy: 0.8865286063987131
Energy: 0.9525023001026072
Energy: 1.0474668760264751
Energy: 1.0832713242014913
Energy: 0.9544772159231046
Energy: 0.8905549794646146
Energy: 0.8914549102766234
Energy: 0.9547863324097816
Energy: 1.0688279133340024
Energy: 1.067885507748795
Energy: 1.0190704812790887
Energy: 0.8921341647447836
Energy: 0.8916752302364822
Energy: 0.952590479913455
Energy: 1.0691022606164018
Energy: 1.0837095869334803
Energy: 1.0346933293103262
Energy: 0.8913554723318795
Energy: 0.887254302945661
Energy: 0.8956008860960454
Energy: 1.0666510817053902
Energy: 1.0659064473731605
Energy: 0.9550240411945189
Energy: 0.8895392210469953
Energy: 0.9849112867372911
Energy: 0.9548341877853498
Energy: 1.0685410889309852
Energy: 1.0953515177921211
Energy: 0.9703613433825955
Energy: 0.9735938130814494
Energy: 0.9913934903256924
Energy: 1.0419097618207585
Energy: 1.0686944010248156
Energy: 1.0830372585678765
Energy: 1.0436724603118213
Energy: 0.9968413271704848
Energy: 0.9973094027366689
Energy: 1.0426078626183997
Energy: 1.0411221843406187
Energy: 1.111802666492205
Energy: 1.0427102591836248
Energy: 0.9869728750352632
Energy: 1.2244718651793363
Energy: 1.0426909204193333
Energy: 1.0684561411273341
Energy: 1.0943090299490776
Energy: 1.0430820139365244
Energy: 1.0650713235951086
Energy: 1.2792755211335585
Energy: 1.0821483785389447
Energy: 1.084282137049302
Energy: 1.0946254358904994
Energy: 1.0828161717772549
Energy: 1.1171178241893582
Energy: 1.348040514831995
Energy: 1.0846642773748503
Energy: 1.1099631452847971
Energy: 1.0978224714806726
Energy: 1.1130398119664957
Energy: 1.0816023577836877
Energy: 1.279072685611421
Energy: 1.0825494224833883
Energy: 1.0926931588027904
Energy: 1.0938220651258608
Energy: 1.0826985394278132
Energy: 1.0823881644042683
Energy: 1.537176613489706
Energy: 1.0816499578409244
Energy: 1.1163532154751314
Energy: 1.0981613294425903
Energy: 1.1125159250496046
Energy: 1.0818463230225426
Energy: 1.5348142377045826
Energy: 1.0959493482572666
Energy: 1.095674827856978
Energy: 1.0969649889929598
Energy: 1.0960190529550407
Energy: 1.0959457664194046
Energy: 1.535106781008544
Energy: 1.0960829724221228
Energy: 1.0946278656842554
Energy: 1.094400373309997
Energy: 1.0968304357390641
Energy: 1.0949490869065073
Energy: 1.8546637540718856
Energy: 1.0961200309206258
Energy: 1.095105960006698
Energy: 1.096450639115907
Energy: 1.0964840462977943
Energy: 1.095060410088428
Energy: 1.8678540033878106
Energy: 1.123185511057378
Energy: 1.0816451721993268
Energy: 1.082837382283728
Energy: 1.0819852155235916
Energy: 1.0993027147146732
Energy: 1.582366309462864
Energy: 1.0835418642998116
Energy: 1.0821028256508283
Energy: 1.0511247143061433
Energy: 1.0835326399995506
Energy: 1.0946437339224868
Energy: 1.8434713597562533
Energy: 1.113202626258898
Energy: 1.0980848534231347
Energy: 1.1063656901257706
Energy: 1.0912349519081619
Energy: 1.1213329624561832
Energy: 2.018484308835463
Energy: 1.0825422212934044
Energy: 1.109505963417935
Energy: 1.0659262867011823
Energy: 1.082818361682188
Energy: 1.083971326345009
Energy: 1.862070340770343
Energy: 1.0419690951378657
Energy: 1.0664901244504899
Energy: 1.0676402728613694
Energy: 1.0427428962482883
Energy: 1.0827597651421732
Energy: 1.864850911901139
Energy: 1.0430895929122341
Energy: 0.9853510258473958
Energy: 0.9962403341292951
Energy: 1.0424611779651658
Energy: 1.04290193255493
Energy: 2.025012838284141
Energy: 1.0683645150651127
Energy: 0.9851232729884716
Energy: 0.9917025957583122
Energy: 1.0426381323987703
Energy: 1.0686316060894396
Energy: 2.18663767187248
Energy: 0.9863335657899254
Energy: 0.9726824667118653
Energy: 0.9733293657066566
Energy: 0.9541280616193016
Energy: 1.070295044645891
Energy: 1.8415302464393477
Energy: 0.953298550879277
Energy: 0.8893847409434337
Energy: 0.8886523354017227
Energy: 0.9532553413192916
Energy: 1.084137147224041
Energy: 2.0070547522847653
Energy: 1.0716387165394123
Energy: 0.9532583634658425
Energy: 0.8888399068710259
Energy: 0.9558598964561928
Energy: 1.0692526404306766
Energy: 2.02075544896026
Energy: 1.0691345496669493
Energy: 0.890322746706595
Energy: 0.8884597294331228
Energy: 0.9532826228865127
Energy: 1.0682911491787301
Energy: 2.0376888881576414
Energy: 0.9537483501229809
Energy: 0.8884839341548874
Energy: 0.8865910897490632
Energy: 0.9538281797619492
Energy: 1.0666974005035752

minimum gb energy = 0.8865286063987131 eV
minimum distance =  2.23362953519167 Angstroms
sigma value = 67


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

Energy: 0.337315923254516
Energy: 0.4096988466872984
Energy: 0.4226289400593507
Energy: 0.42265555229663254
Energy: 0.42132094845165435
Energy: 0.29425112298493594
Energy: 1.4872135793242884
Energy: 0.4213480564865085
Energy: 0.40597113278945884
Energy: 0.40603686757615726
Energy: 0.4066305384674125
Energy: 0.4216116881068568
Energy: 1.4713557698114574
Energy: 0.40593817487833916
Energy: 0.40602610674281175
Energy: 0.4060929205023363
Energy: 0.40535357801757566
Energy: 0.40635604807647435
Energy: 0.2787290157864612
Energy: 0.40565710014235484
Energy: 0.40610134945383203
Energy: 0.40616384255816823
Energy: 0.4050415518902081
Energy: 0.2780506590494173
Energy: 0.2780220138946551
Energy: 0.4050886523040713
Energy: 0.40582144903536455
Energy: 0.40606990667899884
Energy: 0.4043570367273003
Energy: 0.2781622028580968
Energy: 1.4712660736521188
Energy: 0.4055630826535011
Energy: 0.4061760432504879
Energy: 0.406791355792667
Energy: 0.4052641741769107
Energy: 0.4061971333744053
Energy: 0.27802393935385034
Energy: 0.4215506874155083
Energy: 0.406016634626958
Energy: 0.4062646675407676
Energy: 0.40616417912607855
Energy: 0.42159253261136204

minimum gb energy = 0.2780220138946551 eV
minimum distance =  2.40336256938845 Angstroms
sigma value = 3


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

Energy: 2.087912746171334
Energy: 0.9547642005804214
Energy: 0.8749584396801223
Energy: 1.044655085276835
Energy: 0.9639937700727652
Energy: 1.06342365602536
Energy: 1.9777327551193464
Energy: 1.0181198349348075
Energy: 0.8592525805331328
Energy: 0.864410356012029
Energy: 0.8607847088506027
Energy: 1.0503539610014434
Energy: 1.7123201316953838
Energy: 0.9953680797319105
Energy: 0.8682381387184556
Energy: 0.8699077457144756
Energy: 0.8681183545951343
Energy: 1.0355919257882258
Energy: 2.2014229182847997
Energy: 0.953672493877624
Energy: 0.8607467180770472
Energy: 0.8692009279913019
Energy: 0.8621709749130967
Energy: 1.0365824329943076
Energy: 2.1998307863314417
Energy: 0.9526407291883976
Energy: 0.9533464816415125
Energy: 0.9556342855240854
Energy: 0.9515731059011248
Energy: 1.0363920457750755
Energy: 1.6547624418389055
Energy: 1.0305385994018679
Energy: 0.9556444749741604
Energy: 0.9604066530555598
Energy: 0.9526365857684871
Energy: 1.0487293822799248
Energy: 1.971480481752946
Energy: 1.0514850240472458
Energy: 0.9618154637184833
Energy: 0.9661808596526672
Energy: 0.9649674275160626
Energy: 1.0510333909429133
Energy: 1.886370639240744
Energy: 1.049237459876632
Energy: 1.0551599596216938
Energy: 1.1182177049775546
Energy: 1.0492555935225756
Energy: 1.0680284182283493
Energy: 1.9702350449619854
Energy: 1.0581387298611242
Energy: 1.0556486219545687
Energy: 1.0693115774760429
Energy: 1.0526440373498085
Energy: 1.0493953158444675
Energy: 1.6545963002387771
Energy: 1.0726564073764167
Energy: 1.0488790137578907
Energy: 1.0582972762229688
Energy: 1.047264693431731
Energy: 1.0845468632743376
Energy: 1.8981038268131838
Energy: 1.0710447803154064
Energy: 1.0877336054400986
Energy: 1.1320974421524062
Energy: 1.0812566953492901
Energy: 1.0704324055999075
Energy: 1.8821589434962611
Energy: 1.072328313082083
Energy: 1.0773887963322257
Energy: 1.0786979577916502
Energy: 1.0787794342706591
Energy: 1.0730644308696535
Energy: 1.7969924005012612
Energy: 1.0811181560264937
Energy: 1.0746444757230706
Energy: 1.0663127938073258
Energy: 1.083014310257743
Energy: 1.1108056042147298
Energy: 1.7924032693713645
Energy: 1.077518004180559
Energy: 1.103763604550243
Energy: 1.0755629176667973
Energy: 1.0908209613569972
Energy: 1.0785207561903534
Energy: 1.5964033750653397
Energy: 1.0790135386924367
Energy: 1.1085710517832006
Energy: 1.1105847006093004
Energy: 1.085635541865978
Energy: 1.0784645808707247
Energy: 1.5243307806637736
Energy: 1.1062945928215608
Energy: 1.0776401289540078
Energy: 1.0773807464984402
Energy: 1.0794942425415672
Energy: 1.0953672767562475
Energy: 1.5082718179832415
Energy: 1.1113051036290449
Energy: 1.0863621745086822
Energy: 1.0855437187646986
Energy: 1.0807245445313924
Energy: 1.0932155642813257
Energy: 1.5219282554284743
Energy: 1.0724918618351322
Energy: 1.0713848700595197
Energy: 1.120516255851035
Energy: 1.0671926115102368
Energy: 1.0686986489567833
Energy: 1.5109048554661764
Energy: 1.0763935236031035
Energy: 1.0675657523087658
Energy: 1.0720098954585469
Energy: 1.0672113091018476
Energy: 1.0849716021976852
Energy: 1.2498497759530323
Energy: 1.0436670802089394
Energy: 1.0706924059771377
Energy: 1.0753092755060911
Energy: 1.068026728056825
Energy: 1.050974749958786
Energy: 1.236337407970168
Energy: 1.0225583508231963
Energy: 1.1016291625488428
Energy: 1.0959935764427
Energy: 1.018412564338754
Energy: 1.0185377721804907
Energy: 1.2463873152386753
Energy: 1.0184633187382033
Energy: 1.0847949019142265
Energy: 1.138553325881445
Energy: 1.026178899248186
Energy: 1.0235259268463488
Energy: 1.0408625119349633
Energy: 1.0264658603650765
Energy: 1.058441874872343
Energy: 1.0746930517499467
Energy: 1.0203033570874989
Energy: 1.0260759800237538
Energy: 1.0417994897766019
Energy: 1.0117006548573562
Energy: 1.0671381167108434
Energy: 1.0746689829042466
Energy: 1.0196978512454176
Energy: 1.014754757704071
Energy: 1.0301299058759843
Energy: 0.9903800788144519
Energy: 1.0335128277999284
Energy: 1.0940739846515464
Energy: 0.9903974680487364
Energy: 0.9988550920365006
Energy: 1.0172345351491372
Energy: 0.9841801975118037
Energy: 1.0310010339530962
Energy: 1.0585915464284097
Energy: 1.025268903641918
Energy: 0.986835896754251
Energy: 0.90463207952928
Energy: 0.8965091671297329
Energy: 1.0304938236534813
Energy: 1.0580989316766318
Energy: 1.0326610971199772
Energy: 0.8991989555783572
Energy: 0.9203141953990841
Energy: 0.9107232110763375
Energy: 1.0269729434438828
Energy: 1.0715835979593282
Energy: 0.9103906038531945
Energy: 0.9219980143705235
Energy: 0.9254271292548629
Energy: 0.917326197987191
Energy: 1.0615490357155606
Energy: 1.0840535910359037
Energy: 0.922058559994001
Energy: 0.919751628311699
Energy: 1.0170431743613428
Energy: 0.9223549666072572
Energy: 1.0382365533308486
Energy: 1.0656705937936621
Energy: 0.9237576409463759
Energy: 0.9235546047259235
Energy: 1.0001017168267625
Energy: 0.9233946744557603
Energy: 1.0761619173999857
Energy: 1.1232095940168865
Energy: 0.9248165856010137
Energy: 0.9218264079662318
Energy: 0.9917673849846228
Energy: 0.9222449966628163
Energy: 1.0777254425799414
Energy: 1.0989642868719138
Energy: 0.922468412249113
Energy: 0.9233350852897105
Energy: 0.9863213521042102
Energy: 0.9261487897563795
Energy: 1.0454296523620255
Energy: 1.0767935309807524
Energy: 1.0438542067395422
Energy: 0.9257766318844834
Energy: 1.2218826465439325
Energy: 1.0516613660423553
Energy: 1.0453395084141837
Energy: 1.0676743046090158
Energy: 1.04531557147925
Energy: 1.0473385616815736
Energy: 1.2275647266572065
Energy: 1.0452030908007415
Energy: 1.0733458315244195
Energy: 1.1134181706904973
Energy: 1.0455498346682497
Energy: 1.047335863434737
Energy: 1.2353476821068352
Energy: 1.0829102338402283
Energy: 1.0828412659891948
Energy: 1.080925705440556
Energy: 1.070864320990731
Energy: 1.0833871194882456
Energy: 1.3746466584730874
Energy: 1.0793444260836529
Energy: 1.0724850325773485
Energy: 1.075657005787627
Energy: 1.0719499551127865
Energy: 1.0929920660219437
Energy: 1.4599248177495667
Energy: 1.0768172466586545
Energy: 1.1074943387254512
Energy: 1.0865957011211056
Energy: 1.1093337241204673
Energy: 1.0712755339787752
Energy: 1.5042122917300964
Energy: 1.0713834366643888
Energy: 1.080864233557786
Energy: 1.093888516326135
Energy: 1.0953655247954412
Energy: 1.081867522424987
Energy: 1.526777470211855
Energy: 1.0861316682526647
Energy: 1.0779865834610247
Energy: 1.073061869804914
Energy: 1.0826468125272513
Energy: 1.0913861121386832
Energy: 1.7376402992029736
Energy: 1.0969078313866725
Energy: 1.0923389367671956
Energy: 1.099579117873138
Energy: 1.0898392448879148
Energy: 1.081087861575216
Energy: 1.7394473576271838
Energy: 1.078034294927581
Energy: 1.0914598667404698
Energy: 1.165970159043349
Energy: 1.0872134128822264
Energy: 1.0785843531467456
Energy: 1.654791849037349
Energy: 1.0902669468152402
Energy: 1.0727792090808435
Energy: 1.1011238709422166
Energy: 1.0713651252054213
Energy: 1.0887653778344295
Energy: 1.929456174304833
Energy: 1.0725921975711024
Energy: 1.0757362776449448
Energy: 1.1170215618379307
Energy: 1.0809869428598917
Energy: 1.095722660593345
Energy: 1.7540045740825945
Energy: 1.0716042632269658
Energy: 1.0778051340210462
Energy: 1.092743304528811
Energy: 1.078147192374064
Energy: 1.0740446186506527
Energy: 1.8554044998063948
Energy: 1.0749025797442013
Energy: 1.0831555863823887
Energy: 1.0835770573553551
Energy: 1.082993730529097
Energy: 1.0780077830509647
Energy: 1.654519937330552
Energy: 1.0541531549408476
Energy: 1.0488839173801183
Energy: 1.069702171945198
Energy: 1.0474024129059656
Energy: 1.073691915847281
Energy: 2.0472793444877104
Energy: 1.0471795613215373
Energy: 1.0549375213624295
Energy: 1.0609246244077364
Energy: 1.0477966825477378
Energy: 1.0543779051340845
Energy: 2.044552931524386
Energy: 1.0469600921129776
Energy: 0.9600697410026429
Energy: 0.9762937123671878
Energy: 0.969244180378266
Energy: 1.0538868637854746
Energy: 1.712724224699894
Energy: 1.0189056211486818
Energy: 0.9511131976710175
Energy: 0.9520033152418895
Energy: 0.9508820742972803
Energy: 1.0693722651065674
Energy: 2.043323684680239
Energy: 0.9528073370750378
Energy: 0.9513613569642846
Energy: 0.9563022625967522
Energy: 0.9523287136241129
Energy: 1.0485724072278086

minimum gb energy = 0.8592525805331328 eV
minimum distance =  2.23001793950947 Angstroms
sigma value = 81


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

Energy: 2.3043862094741394
Energy: 1.0869089930171605
Energy: 0.9856820015395419
Energy: 0.9674422519171296
Energy: 1.108414811111894
Energy: 1.219838079715559
Energy: 1.7095030871998236
Energy: 1.103627895527421
Energy: 0.9638680676357699
Energy: 0.9616594290305862
Energy: 0.9623270094733444
Energy: 1.204722946936344
Energy: 1.6910142792180853
Energy: 1.0375574720477645
Energy: 0.9699700130767341
Energy: 0.9701318796881574
Energy: 0.9729249334071866
Energy: 1.190872522623781
Energy: 1.7165573826768548
Energy: 1.084372773676524
Energy: 0.9655225624680105
Energy: 0.9694454926454522
Energy: 0.9654702399275787
Energy: 1.190652759886374
Energy: 1.715797330121249
Energy: 1.0840539280804324
Energy: 1.0873693242435396
Energy: 1.1035006955119404
Energy: 1.0873417352212622
Energy: 1.1910732722121027
Energy: 1.6773591253554951
Energy: 1.086528633338593
Energy: 1.0865784466573838
Energy: 1.090690409937744
Energy: 1.0858052910560014
Energy: 1.233074570495115
Energy: 1.70876434802344
Energy: 1.2086465709806804
Energy: 1.0895089178998725
Energy: 1.0986211522537346
Energy: 1.088843329631709
Energy: 1.2091962127887201
Energy: 1.7170257534112328
Energy: 1.2036637371403085
Energy: 1.2525778229456879
Energy: 1.1079432633383348
Energy: 1.2279898495623924
Energy: 1.2142689263096937
Energy: 1.6748142460247217
Energy: 1.245756954595863
Energy: 1.2083535690744425
Energy: 1.1958151554235348
Energy: 1.2111228252043846
Energy: 1.2149970643539594
Energy: 1.6821906896496892
Energy: 1.2170088606079599
Energy: 1.2057843019129937
Energy: 1.2095296246815619
Energy: 1.2088507883541266
Energy: 1.225604572748609
Energy: 1.572233967696846
Energy: 1.2166647730206022
Energy: 1.2309072923673612
Energy: 1.2255628367626592
Energy: 1.2317549399272851
Energy: 1.2170852162957622
Energy: 1.6714212795564274
Energy: 1.2278829067278618
Energy: 1.2313047530061658
Energy: 1.215130349943344
Energy: 1.231740896794227
Energy: 1.2286745431475732
Energy: 1.497843501292673
Energy: 1.200360962908235
Energy: 1.2170592690696964
Energy: 1.214075245279552
Energy: 1.2267702628104442
Energy: 1.1691849928368263
Energy: 1.4872089009285872
Energy: 1.1744171474983385
Energy: 1.2189415366974297
Energy: 1.2439095494708676
Energy: 1.173830005336981
Energy: 1.1739340344812332
Energy: 1.495296528674856
Energy: 1.1738855757241016
Energy: 1.2242343240760807
Energy: 1.3067735354102763
Energy: 1.1667132618961356
Energy: 1.167880757361661
Energy: 1.2980917557456626
Energy: 1.1748655414475189
Energy: 1.2063659020917523
Energy: 1.2199509229423673
Energy: 1.1740663181216742
Energy: 1.189495705905585
Energy: 1.1987244770390784
Energy: 1.157309524337524
Energy: 1.1668394766819692
Energy: 1.2714614210280002
Energy: 1.1674645150904623
Energy: 1.1572971199206858
Energy: 1.196767352655109
Energy: 1.137308836581774
Energy: 1.179918334076006
Energy: 1.243299361163784
Energy: 1.1361466959351116
Energy: 1.134528464488193
Energy: 1.182050844351523
Energy: 1.1265074062070022
Energy: 1.1791595200617297
Energy: 1.2080462739638236
Energy: 1.1774357723684146
Energy: 1.1260927919284907
Energy: 1.029742291934084
Energy: 1.0139234238247308
Energy: 1.179476881977326
Energy: 1.2076129489997391
Energy: 1.1782569576653417
Energy: 1.0124270599257903
Energy: 1.0439364211967126
Energy: 1.0293833984414802
Energy: 1.1807789885875095
Energy: 1.2533438121270568
Energy: 1.0275268835707179
Energy: 1.0345769985848217
Energy: 1.0497918216701314
Energy: 1.0358216700881657
Energy: 1.206600606960686
Energy: 1.2096771641971815
Energy: 1.0609652922198076
Energy: 1.0383458618840122
Energy: 1.0653950532989798
Energy: 1.0627345069111285
Energy: 1.2032243022602982
Energy: 1.2344627574439648
Energy: 1.055509255420469
Energy: 1.0625406858239403
Energy: 1.1462447764636137
Energy: 1.0451558506788083
Energy: 1.2055105859683226
Energy: 1.2711558904591322
Energy: 1.0604215523451825
Energy: 1.0447565705174344
Energy: 1.139178168749499
Energy: 1.0445577172066418
Energy: 1.2027805222279786
Energy: 1.2680556503712674
Energy: 1.0440515596470918
Energy: 1.0446064097223942
Energy: 1.1424204644339886
Energy: 1.0610883087532186
Energy: 1.2023758943307923
Energy: 1.21388596063194
Energy: 1.2039830086370444
Energy: 1.0397662741390337
Energy: 1.4734794555252975
Energy: 1.204362756469689
Energy: 1.2019021867699204
Energy: 1.2135309971726922
Energy: 1.2015409224707714
Energy: 1.206256793058351
Energy: 1.3658150911306468
Energy: 1.202932486507902
Energy: 1.2021482610750225
Energy: 1.289852488133028
Energy: 1.2025453139073876
Energy: 1.212398623465667
Energy: 1.4651885811409284
Energy: 1.2163818141745049
Energy: 1.2208461787432672
Energy: 1.2296297637976812
Energy: 1.221889770883493
Energy: 1.2207152805995236
Energy: 1.4835188981184533
Energy: 1.2522021624978836
Energy: 1.2221010461659958
Energy: 1.212613261348419
Energy: 1.2330243587860714
Energy: 1.2370513166782429
Energy: 1.8005587374409169
Energy: 1.2330511512525713
Energy: 1.255285533184518
Energy: 1.3210552900181771
Energy: 1.2272957624649785
Energy: 1.2147917038979004
Energy: 1.6842305017316561
Energy: 1.2317723720717393
Energy: 1.2180752489373048
Energy: 1.223546551507446
Energy: 1.238180863567712
Energy: 1.2227955484982704
Energy: 1.6733108858163515
Energy: 1.2127490709602415
Energy: 1.2053264340788288
Energy: 1.206572414267933
Energy: 1.211919423288191
Energy: 1.2269471286671179
Energy: 1.7056934652504394
Energy: 1.2127048027562712
Energy: 1.2113391063973318
Energy: 1.2135926832956316
Energy: 1.2143545655758592
Energy: 1.2145380662727343
Energy: 1.7679216074966402
Energy: 1.2047667435525553
Energy: 1.109077509253328
Energy: 1.0921127268126523
Energy: 1.169391694075516
Energy: 1.2083656186264489
Energy: 1.692556318839424
Energy: 1.1853076960100666
Energy: 1.0820995167598435
Energy: 1.0856260219503024
Energy: 1.0823122663329574
Energy: 1.2338934626078526
Energy: 1.6722956546559162
Energy: 1.1664789228336165
Energy: 1.0874170251770627
Energy: 1.083273203452956
Energy: 1.086001559591343
Energy: 1.202090547620057
Energy: 1.681286107568792
Energy: 1.0838125206580567
Energy: 1.0868680257851255
Energy: 0.9845430781142653
Energy: 1.082576266836178
Energy: 1.2073862310357535

minimum gb energy = 0.9616594290305862 eV
minimum distance =  2.24470392834691 Angstroms
sigma value = 43


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

Energy: 1.963743712259097
Energy: 1.182972956362849
Energy: 1.0306624698620008
Energy: 1.031757498595937
Energy: 1.1817944565264187
Energy: 1.3269842787783475
Energy: 1.4867624089123457
Energy: 1.1753718690673394
Energy: 1.0304750898993178
Energy: 1.0307123039430488
Energy: 1.0311916102145844
Energy: 1.3066992626138798
Energy: 1.4397200941749289
Energy: 1.1758372671684973
Energy: 1.0383003089685978
Energy: 1.037711817497361
Energy: 1.0379808142955116
Energy: 1.2997037323952434
Energy: 1.698152111804539
Energy: 1.1756125278223055
Energy: 1.0292520740613305
Energy: 1.0290764755341637
Energy: 1.0311175424450505
Energy: 1.3081338076363969
Energy: 1.6955570312306776
Energy: 1.1759132753649404
Energy: 1.1839613598765484
Energy: 1.183480978637503
Energy: 1.1747558616949545
Energy: 1.3146163800244868
Energy: 1.4602658922205827
Energy: 1.1751533543328552
Energy: 1.1797986238425267
Energy: 1.1776799204437254
Energy: 1.177410105736824
Energy: 1.3427883985371127
Energy: 1.4885802441636513
Energy: 1.3309877672320698
Energy: 1.200073148814077
Energy: 1.1780964844058646
Energy: 1.182664915913029
Energy: 1.3232633094844068
Energy: 1.6631479225072907
Energy: 1.309426169427643
Energy: 1.3419612531230345
Energy: 1.2455417379976237
Energy: 1.3095552439155322
Energy: 1.3128322610828564
Energy: 1.4387358707260427
Energy: 1.3164661422043207
Energy: 1.3574308628532559
Energy: 1.3105267041047284
Energy: 1.3164815405549142
Energy: 1.3184058607240143
Energy: 1.4489291780162485
Energy: 1.3186523003687605
Energy: 1.3154134094956913
Energy: 1.309647590004124
Energy: 1.315686211924294
Energy: 1.3270750571090004
Energy: 1.6851087150206128
Energy: 1.311466579310501
Energy: 1.3360491009730389
Energy: 1.3592342734782532
Energy: 1.315613697406961
Energy: 1.314755276558798
Energy: 1.6703867439302904
Energy: 1.3090405180625027
Energy: 1.3165692436736156
Energy: 1.3172900814025197
Energy: 1.3156463103585685
Energy: 1.3269961964492878
Energy: 1.2214269831925144
Energy: 1.1986713878269342
Energy: 1.3176056820489919
Energy: 1.3397882391147617
Energy: 1.3103874062498126
Energy: 1.1990862090493568
Energy: 1.2222571007415683
Energy: 1.1743483780370523
Energy: 1.3435851598307254
Energy: 1.3358045893636685
Energy: 1.3030025719311056
Energy: 1.1752073840571768
Energy: 1.2244086443963722
Energy: 1.1756268627879962
Energy: 1.2982238269915296
Energy: 1.3288672323026054
Energy: 1.1976503390249744
Energy: 1.1763765474867844
Energy: 1.0293843458057104
Energy: 1.1835097728254096
Energy: 1.3014718757208839
Energy: 1.3292424466410961
Energy: 1.174919082343981
Energy: 1.1831658996998842
Energy: 1.0310101988696219
Energy: 1.03054144339046
Energy: 1.3043082567243662
Energy: 1.3584092714904998
Energy: 1.1756627672764965
Energy: 1.0303431672955257
Energy: 1.0385194436586873
Energy: 1.0380477139904827
Energy: 1.2996021006953664
Energy: 1.3759948851820087
Energy: 1.0539160492619646
Energy: 1.0377800644923776
Energy: 1.029731632277642
Energy: 1.0294245974046896
Energy: 1.175492339072141
Energy: 1.3088653956361849
Energy: 1.1751567418462183
Energy: 1.0293290815924014
Energy: 1.2696814481050889
Energy: 1.1837610954957947
Energy: 1.1758690788121933
Energy: 1.3075438688615293
Energy: 1.1755589088455385
Energy: 1.1828935006547632
Energy: 1.2234990474080698
Energy: 1.178657151358765
Energy: 1.299747353932161
Energy: 1.3163559844159565
Energy: 1.1759073251260466
Energy: 1.1736686203875109
Energy: 1.2222584385333508
Energy: 1.1851995452229398
Energy: 1.315659115943981
Energy: 1.4351529380528816
Energy: 1.1984976756522046
Energy: 1.1786531450557594
Energy: 1.2207731204412056
Energy: 1.3264622813295277
Energy: 1.324887318486241
Energy: 1.3131910953654111
Energy: 1.201460134018925
Energy: 1.1993945019565229
Energy: 1.4165740875058879
Energy: 1.3316249226447179
Energy: 1.315978096529011
Energy: 1.353592447666076
Energy: 1.3177599897556194
Energy: 1.309496406623565
Energy: 1.45076772251764
Energy: 1.3314282891414293
Energy: 1.3206990200293092
Energy: 1.335478295653894
Energy: 1.3154309860309763
Energy: 1.3197866323254845
Energy: 1.4493186373714084
Energy: 1.315632143535518
Energy: 1.3127341906351746
Energy: 1.3412105202671283
Energy: 1.3175018848039965
Energy: 1.3411123063346795
Energy: 1.4068067743211303
Energy: 1.315517823252221
Energy: 1.308641618094973
Energy: 1.3241828094315313
Energy: 1.3105362431907575
Energy: 1.3163458602421874
Energy: 1.9289359629680416
Energy: 1.309458764781729
Energy: 1.198825102324318
Energy: 1.1790703460225485
Energy: 1.3257741811110335
Energy: 1.3132306843232
Energy: 1.4490587468246605
Energy: 1.3103857194094688
Energy: 1.1743282058616444
Energy: 1.1761681924395233
Energy: 1.1743016243917934
Energy: 1.3368913462049041
Energy: 1.4496460299353677
Energy: 1.1788186415095574
Energy: 1.2000417818328304
Energy: 1.1788391941029794
Energy: 1.1783525609200576
Energy: 1.3006521161798232
Energy: 1.9094440354514308
Energy: 1.1751722634327584
Energy: 1.1829747717113963
Energy: 1.1829964524191472
Energy: 1.1752677820500372
Energy: 1.2887948981421262

minimum gb energy = 1.0290764755341637 eV
minimum distance =  2.23624627948269 Angstroms
sigma value = 57


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

Energy: 1.685815905728233
Energy: 1.30864541789624
Energy: 1.1365505296260674
Energy: 1.1283470705002705
Energy: 1.3104074057504271
Energy: 1.4747783015464935
Energy: 1.6754213828433488
Energy: 1.3120766620969526
Energy: 1.1411655501077567
Energy: 1.1329329752943222
Energy: 1.140777561655368
Energy: 1.4344413148016981
Energy: 1.6748799027283332
Energy: 1.3114710805285756
Energy: 1.1542164314912873
Energy: 1.1373580646088524
Energy: 1.1404485599164547
Energy: 1.4315811647032755
Energy: 1.66339793774592
Energy: 1.3049913778345645
Energy: 1.1409350469704425
Energy: 1.127770295403794
Energy: 1.1374915058810415
Energy: 1.4288155928253308
Energy: 1.6579850914832777
Energy: 1.3049286248076033
Energy: 1.3105491083421572
Energy: 1.3064853149092939
Energy: 1.3102271282298166
Energy: 1.4286411230618752
Energy: 1.6740052092761148
Energy: 1.3085458725807515
Energy: 1.298361032364253
Energy: 1.3050469810243275
Energy: 1.2981374387992164
Energy: 1.4887551111686101
Energy: 1.6765734088369773
Energy: 1.4581880590313432
Energy: 1.3191014989292442
Energy: 1.3165366491435626
Energy: 1.3052615392586846
Energy: 1.474372870713179
Energy: 1.3866620427039786
Energy: 1.4306452602610842
Energy: 1.4679472611903468
Energy: 1.1370989873407145
Energy: 1.476858155614946
Energy: 1.4327717319093853
Energy: 1.3896280224097077
Energy: 1.4776869151334628
Energy: 1.428048318450391
Energy: 1.4833097452194026
Energy: 1.4545122497850862
Energy: 1.467961953971154
Energy: 1.3877351424195956
Energy: 1.3053315558632679
Energy: 1.43072772990113
Energy: 1.5665340519575315
Energy: 1.431274024110007
Energy: 1.3155664281609567
Energy: 1.4092018667487565
Energy: 1.3092274594134319
Energy: 1.431184101726266
Energy: 1.521738037029899
Energy: 1.3070851548151952
Energy: 1.3232391192190116
Energy: 1.3922192472511579
Energy: 1.3217314486716802
Energy: 1.3046201430719244
Energy: 1.4902341622337383
Energy: 1.3058538201647274
Energy: 1.3147581348753812
Energy: 1.1309464757031538
Energy: 1.1382792021432877
Energy: 1.426996463284003
Energy: 1.4280716973788319
Energy: 1.3050713866186445
Energy: 1.1350157953859221
Energy: 1.1282694706201797
Energy: 1.1609999411025504
Energy: 1.432213718419307
Energy: 1.5211648589262752
Energy: 1.1605401177847334
Energy: 1.1570652858222419
Energy: 1.1277662633128103
Energy: 1.1440828666867695
Energy: 1.3094492582175754
Energy: 1.5115870180926505
Energy: 1.332187065664796
Energy: 1.1265062663477798
Energy: 1.1323752135284193
Energy: 1.3099647620514006
Energy: 1.4293272250117508
Energy: 1.4292021095594434
Energy: 1.3095658668043584
Energy: 1.1334995570784154
Energy: 1.389791195935064
Energy: 1.3091022976511697
Energy: 1.327699166619335
Energy: 1.3129529076643789
Energy: 1.3076912258346562
Energy: 1.3071538726838263
Energy: 1.387848857238817
Energy: 1.2968425554814915
Energy: 1.469858997683846
Energy: 1.313657286255752
Energy: 1.3072033766978297
Energy: 1.3167739009770916
Energy: 1.390091995950914
Energy: 1.311595677659431
Energy: 1.4684325407258534
Energy: 1.496687321058338
Energy: 1.431317935941523
Energy: 1.3161658108784204
Energy: 1.3891882529640684
Energy: 1.4540626927555582
Energy: 1.4304165286170603
Energy: 1.4597128410640694
Energy: 1.431951376287741
Energy: 1.4782377531415523
Energy: 1.6481678976617111
Energy: 1.4536936697699812
Energy: 1.3151007118680547
Energy: 1.333366990084203
Energy: 1.4534266272849234
Energy: 1.4373967004786339
Energy: 1.3922291274740564
Energy: 1.4307972493583119
Energy: 1.3201873612808626
Energy: 1.3119319809378835
Energy: 1.3042846762077691
Energy: 1.4789989746513919
Energy: 1.672854702397442
Energy: 1.308774458132379
Energy: 1.344211836096097
Energy: 1.305408447544482
Energy: 1.3245549175623943
Energy: 1.4314796180330465
Energy: 1.1254063747431553
Energy: 1.3054019415058737
Energy: 1.3101986237099286
Energy: 1.1351383455670112
Energy: 1.3095856267937749
Energy: 1.427857531652647

minimum gb energy = 1.1254063747431553 eV
minimum distance =  2.23125602808396 Angstroms
sigma value = 17


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

Energy: 2.312661686984148
Energy: 1.4589494728584533
Energy: 1.26487586554286
Energy: 1.4459685124130068
Energy: 1.4584708506462098
Energy: 1.6141480365243333
Energy: 1.2512177536445988
Energy: 1.471736189844693
Energy: 1.2542775478230397
Energy: 1.2524488919134078
Energy: 1.2549315637772898
Energy: 1.6153034509007407
Energy: 1.2660308086155254
Energy: 1.4683228318625383
Energy: 1.2746340348263885
Energy: 1.2378687350516098
Energy: 1.2688523235433764
Energy: 1.46793109076135
Energy: 1.6408038322863039
Energy: 1.4588597282108917
Energy: 1.2538131725924806
Energy: 1.2525153124873434
Energy: 1.4515371972250284
Energy: 1.4575476853996134
Energy: 1.236621516723974
Energy: 1.4702910917775418
Energy: 1.446284250152165
Energy: 1.2539691374869177
Energy: 1.4464772147383025
Energy: 1.4711299167777376
Energy: 1.2638166029620013
Energy: 1.4720379268606039
Energy: 1.470126359502784
Energy: 1.2139376724389153
Energy: 1.4698891040334494
Energy: 1.4606056084374461
Energy: 1.2515662305035764
Energy: 1.4464014645065784
Energy: 1.451579369133621
Energy: 1.2519687486105702
Energy: 1.4512695260341235
Energy: 1.445901755025655
Energy: 1.255242589295257
Energy: 1.4685745922953335
Energy: 1.4662742544453389
Energy: 1.266144425791093
Energy: 1.4670712618621278
Energy: 1.4652634938107683
Energy: 1.2522387778103394
Energy: 1.4499728369796816
Energy: 1.615415755873998
Energy: 1.604502215322069
Energy: 1.4591673682499813
Energy: 1.4475848414394403
Energy: 1.252545611484004
Energy: 1.2604853585320683
Energy: 1.470872940234046
Energy: 1.2548365978934455
Energy: 1.446405179583201
Energy: 1.2588278429676956
Energy: 1.2447734655081866
Energy: 1.2728555968899424
Energy: 1.4710612399020147
Energy: 1.2645556954809627
Energy: 1.271401049732128
Energy: 1.268638945857973
Energy: 1.2365162460582824
Energy: 1.2614521469329643
Energy: 1.4703037325414214
Energy: 1.4318183568948393
Energy: 1.4510831729580447
Energy: 1.253526704334245
Energy: 1.265167808013427
Energy: 1.4528797925609847
Energy: 1.456741796073323
Energy: 1.4320080416439176
Energy: 1.4567166769305018
Energy: 1.450686346282119
Energy: 1.2135984064434888
Energy: 1.4668802320382934
Energy: 1.4691582945845902
Energy: 1.2650252894882752
Energy: 1.4673498645742185
Energy: 1.2141042135654958
Energy: 1.2524541590480394
Energy: 1.4458770670848562
Energy: 1.4464830881893145
Energy: 1.2684207281501583
Energy: 1.3363606889312925
Energy: 1.446545443447873
Energy: 1.2642424262305085
Energy: 1.4697867007159369
Energy: 1.4692454304992908
Energy: 1.4465766081447196
Energy: 1.4706453011440455
Energy: 1.4537240130177358
Energy: 1.2517940564253354
Energy: 1.4493722420464668
Energy: 1.4471893373014253
Energy: 1.264327186725651
Energy: 1.4473137192858834
Energy: 1.6055132681109736

minimum gb energy = 1.2135984064434888 eV
minimum distance =  2.23783018803306 Angstroms
sigma value = 17


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

Energy: 1.6674712073693048
Energy: 1.4621619954945713
Energy: 1.3090964637123077
Energy: 1.3083490157725353
Energy: 1.3077696433422612
Energy: 1.7420372209947794
Energy: 1.3196871215475692
Energy: 1.4525337575922013
Energy: 1.3046359999636457
Energy: 1.301860841195669
Energy: 1.305164555741055
Energy: 1.4571101937449185
Energy: 1.3129360245743973
Energy: 1.458817126960863
Energy: 1.3056655468823766
Energy: 1.3041572571021869
Energy: 1.303064859105137
Energy: 1.6374889050648582
Energy: 1.8244183369762657
Energy: 1.6048420367547558
Energy: 1.3231149288251862
Energy: 1.3204265979030816
Energy: 1.3215965365199644
Energy: 1.6809183484595067
Energy: 1.4229386223510145
Energy: 1.6789675644913518
Energy: 1.6021998230861554
Energy: 1.3079121644246505
Energy: 1.6799985974762954
Energy: 1.5996756022165401
Energy: 1.3140634421174373
Energy: 1.3060413636701684
Energy: 1.6483832517214003
Energy: 1.5186811517669094
Energy: 1.6992987845196823
Energy: 1.3096706865672854
Energy: 1.3180181221332228
Energy: 1.3214829319235493
Energy: 1.6047267321258523
Energy: 1.30869709289918
Energy: 1.4738669755955907
Energy: 1.3214522375058173
Energy: 1.2945341002184252
Energy: 1.3039747845147132
Energy: 1.4928654148456275
Energy: 1.3248499413862884
Energy: 1.3212156664653965
Energy: 1.3029561736737216
Energy: 1.3079771272686236
Energy: 1.3075702624404089
Energy: 1.544616704743808
Energy: 1.6031879950275056
Energy: 1.4476014655811702
Energy: 1.3111566466492122
Energy: 1.4832522982481728
Energy: 1.4507558807658338
Energy: 1.448088553210606
Energy: 1.4062980608682039
Energy: 1.457316903425124
Energy: 1.4450658787393214
Energy: 1.4894780965330812
Energy: 1.4521462900193312
Energy: 1.4609016928952778
Energy: 1.3098399025685965
Energy: 1.4521651615649585
Energy: 1.4520664057958563
Energy: 1.4076274531288497
Energy: 1.45052501263664
Energy: 1.5366380127328607
Energy: 1.4045878410530779
Energy: 1.612417818199964
Energy: 1.4455070427363756
Energy: 1.3537396262122166
Energy: 1.606207245363276
Energy: 1.6098826364401724
Energy: 1.4033966783452252
Energy: 1.6074863894443192
Energy: 1.631698735764037
Energy: 1.9912658529245826
Energy: 1.537497721339883
Energy: 1.520330649117232
Energy: 1.284560116088118
Energy: 1.652569823620242
Energy: 1.7603381009806507
Energy: 1.553998578284677
Energy: 1.5369739412427812
Energy: 1.2778469673895068
Energy: 1.2797122848408837
Energy: 1.2775234420611863
Energy: 1.6066503026202203
Energy: 1.3516739091018086
Energy: 1.2813609080213746
Energy: 1.2849537903190487
Energy: 1.2833794918776162
Energy: 1.2827231296015205
Energy: 1.5955496230797415
Energy: 1.8174738820566796
Energy: 1.6257413650743973
Energy: 1.2789979052993563
Energy: 1.2962257945445834
Energy: 1.2783041778127295
Energy: 1.615297072274332
Energy: 1.81768730665718
Energy: 1.626362724294717
Energy: 1.5358931152680473
Energy: 1.292792737953803
Energy: 1.5385455878770928
Energy: 1.6035617208113617
Energy: 1.493227822318878
Energy: 1.6045069255949327
Energy: 1.6018096181432093
Energy: 1.549819446803629
Energy: 1.6027149415726778
Energy: 1.3068412907317288
Energy: 1.4858725088696199
Energy: 1.4483953028739238
Energy: 1.5425629189696728
Energy: 1.4753922836367346
Energy: 1.60540667798878
Energy: 1.4431155095361132
Energy: 1.484098856947566
Energy: 1.4512965467107464
Energy: 1.4518306128168483
Energy: 1.3192900001568082
Energy: 1.4517056883403017
Energy: 1.4461200074681728
Energy: 1.444840934662575
Energy: 1.4496797547683604
Energy: 1.5635902547887555
Energy: 1.672656656960004
Energy: 1.4464348339314665
Energy: 1.303827971686618
Energy: 1.3029140125568082
Energy: 1.3050929376535623
Energy: 1.4499799294586582
Energy: 1.4590916271615086
Energy: 1.4444553366999717
Energy: 1.301972928121705
Energy: 1.3027503243284464
Energy: 1.304845345330361
Energy: 1.4586522317572401
Energy: 1.3069100667143283
Energy: 1.3033249273664582
Energy: 1.3046907878078406
Energy: 1.3123072281694377
Energy: 1.3057998794378163
Energy: 1.6008017537537134
Energy: 1.5829688659865242
Energy: 1.5989566216228186
Energy: 1.3057995932005058
Energy: 1.3062697804180843
Energy: 1.6968108271681086
Energy: 1.6053515116007953
Energy: 1.4027993677737387
Energy: 1.693131236907778
Energy: 1.6820928155965185
Energy: 2.0103085427819605
Energy: 1.6974847817181455
Energy: 1.6939711406909677
Energy: 1.3071235228057767
Energy: 1.696205731615318
Energy: 1.6483680357309043
Energy: 1.2731560345115929
Energy: 1.6730400592017274
Energy: 1.319152426579479
Energy: 1.3083147894734348
Energy: 1.3071022680210056
Energy: 1.601918721007579
Energy: 1.3089974822585313
Energy: 1.3100389058025206
Energy: 1.3068881728452184
Energy: 1.2974403043511178
Energy: 1.3050525555284485
Energy: 1.4067890310474205
Energy: 1.8159137647909844
Energy: 1.4446960731768506
Energy: 1.3048651797618829
Energy: 1.3024015770149975
Energy: 1.304829965138434
Energy: 1.605311289651014
Energy: 1.818911073953162
Energy: 1.4597417850145622
Energy: 1.4461962071248677
Energy: 1.4781780474017865
Energy: 1.4479303833006358
Energy: 1.6051018059436573
Energy: 1.310863452640571
Energy: 1.4520339558439554
Energy: 1.4548422865372603
Energy: 1.2988339357324508
Energy: 1.4570792628937517
Energy: 1.4631668038434964
Energy: 1.4742326000480974
Energy: 1.5427536058583593
Energy: 1.4444714342809166
Energy: 1.4394289934366178
Energy: 1.4443877907546203
Energy: 1.5420782915786713
Energy: 1.822754509850402
Energy: 1.6051848942176208
Energy: 1.5096271011755418
Energy: 1.3517298851794608
Energy: 1.605872381506117
Energy: 1.605778316907899
Energy: 1.3088520379228452
Energy: 1.544020972794947
Energy: 1.6573716521784845
Energy: 1.5292422466837123
Energy: 1.625015683543982
Energy: 1.40357533836931
Energy: 1.2915388996768729
Energy: 1.2820475018871238
Energy: 1.6113026910130985
Energy: 1.526238401448687
Energy: 1.5394538272416882
Energy: 1.291403203980633
Energy: 1.2782099970937597
Energy: 1.2819987149990262
Energy: 1.5675968461145058
Energy: 1.3521589379489403
Energy: 1.2873980626987964
Energy: 1.2818306196324047
Energy: 1.288986763566588
Energy: 1.2791823641280133
Energy: 1.6074170634074436
Energy: 1.302748695285723
Energy: 1.4007822100915353
Energy: 1.2795723405516757
Energy: 1.312338019445536
Energy: 1.5184509373951172
Energy: 1.6956207189270356
Energy: 1.6044295080566986
Energy: 1.53659683868116
Energy: 1.289303952981754
Energy: 1.6545841653651512
Energy: 1.6040874868490227
Energy: 1.6063194325380252
Energy: 1.3558495905207695
Energy: 1.6060132808737477
Energy: 1.605629415149699
Energy: 1.4752157669973849
Energy: 1.6251231603674912
Energy: 1.4512141028174532
Energy: 1.490642624757583
Energy: 1.485723909915084
Energy: 1.535943123380476
Energy: 1.4704507014088688
Energy: 1.4872247028625039
Energy: 1.4478659115630128
Energy: 1.2981603570985896
Energy: 1.4454475361712227
Energy: 1.5503231003502385
Energy: 1.6407595131834276
Energy: 1.4496438439730315
Energy: 1.4470326893526622
Energy: 1.4862516083795785
Energy: 1.44851326349025
Energy: 1.5551468883304918

minimum gb energy = 1.2731560345115929 eV
minimum distance =  2.17004730274248 Angstroms
sigma value = 57


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

Energy: 1.8030004971857316
Energy: 1.7098147737275995
Energy: 1.4751267092087041
Energy: 1.5434378304710128
Energy: 1.7050141910824543
Energy: 1.6754581883016908
Energy: 1.352328172141139
Energy: 1.5356166837844532
Energy: 1.3805168964622259
Energy: 1.3502877434759304
Energy: 1.3828907940661068
Energy: 1.5336872680052107
Energy: 1.4471012791883113
Energy: 1.490820010109103
Energy: 1.3703780351231767
Energy: 1.342663463498631
Energy: 1.3547598962583862
Energy: 1.6150663321965877
Energy: 1.7760977921175578
Energy: 1.6864902623313762
Energy: 1.3914536660831516
Energy: 1.3720379296833982
Energy: 1.387838208899412
Energy: 1.681585587179941
Energy: 1.6444108132746342
Energy: 1.6161244966075796
Energy: 1.6742393406404197
Energy: 1.4460036445056976
Energy: 1.672642510325494
Energy: 1.624615192448357
Energy: 1.3479166823074362
Energy: 1.3436381556296444
Energy: 1.6881603730791468
Energy: 1.5188233543736525
Energy: 1.6105187179212967
Energy: 1.3560909193643966
Energy: 1.3442157487224222
Energy: 1.3814073459331382
Energy: 1.6925902916686197
Energy: 1.7002372625650817
Energy: 1.5495491354594635
Energy: 1.3650011061303164
Energy: 1.3393034143009552
Energy: 1.3576467385257944
Energy: 1.5638304161083105
Energy: 1.365014197362449
Energy: 1.3763108358947107
Energy: 1.3521849779838542
Energy: 1.346977312988767
Energy: 1.3680814012650422
Energy: 1.6310560545667427
Energy: 1.7495334033951648
Energy: 1.483147455412762
Energy: 1.3734563773594126
Energy: 1.3403547791749113
Energy: 1.4879415908559805
Energy: 1.507904910854109
Energy: 1.443762782580186
Energy: 1.4801643603089958
Energy: 1.4823365593998068
Energy: 1.4937707282118367
Energy: 1.4878924729137986
Energy: 1.605101166441907
Energy: 1.4780154759256952
Energy: 1.4825783247982762
Energy: 1.4795332664765377
Energy: 1.3542399144856592
Energy: 1.501163673087227
Energy: 1.5860994484965387
Energy: 1.3018060644858995
Energy: 1.593148256153486
Energy: 1.51161358098638
Energy: 1.390581269595525
Energy: 1.5819027771959109
Energy: 1.574994778392562
Energy: 1.307909766787404
Energy: 1.579486016702615
Energy: 1.6865211525939527
Energy: 1.9240901810894053
Energy: 1.7725302316828586
Energy: 1.4331953784018485
Energy: 1.4411468600220179
Energy: 1.7702056683058618
Energy: 1.793458027718504
Energy: 1.3435629379931555
Energy: 1.6539511585443194
Energy: 1.4298247515076696
Energy: 1.3036234053485831
Energy: 1.4242872019694226
Energy: 1.6273913044412398
Energy: 1.3648571542194794
Energy: 1.4627013196226724
Energy: 1.4024984149291593
Energy: 1.2792447654690264
Energy: 1.4047632944708397
Energy: 1.6524738470075815
Energy: 1.7740989300830328
Energy: 1.6482493811694203
Energy: 1.434293794994372
Energy: 1.4724634802621681
Energy: 1.441388867480823
Energy: 1.638426220440049
Energy: 1.3424346753745784
Energy: 1.6412224902254198
Energy: 1.652452248564129
Energy: 1.3793432043892353
Energy: 1.6738515544617856
Energy: 1.6450211753070492
Energy: 1.3749750264279386
Energy: 1.6261890011291749
Energy: 1.6800083491620044
Energy: 1.680344387044359
Energy: 1.625417215370721
Energy: 1.3859556078408628
Energy: 1.3339366326707758
Energy: 1.3726495430984622
Energy: 1.6514373620595222
Energy: 1.5603162630026137
Energy: 1.6576305577123767
Energy: 1.3522153057677957
Energy: 1.3496686646692715
Energy: 1.3631576551928897
Energy: 1.459611255439388
Energy: 1.3802145865069269
Energy: 1.3949711669880895
Energy: 1.3663047789232596
Energy: 1.3552197885124453
Energy: 1.3730115259121392
Energy: 1.6905468810423894
Energy: 1.6447085023402828
Energy: 1.4620155483713337
Energy: 1.3755082883101104
Energy: 1.449437513890245
Energy: 1.4473262468344978
Energy: 1.5397873295675857
Energy: 1.3381875928728453
Energy: 1.5397571282726248
Energy: 1.4535823596830895
Energy: 1.4965990441685715
Energy: 1.5290725103062315
Energy: 1.596768813846896
Energy: 1.3770465933474483
Energy: 1.531867231810566
Energy: 1.5274163303781065
Energy: 1.4465273718443556
Energy: 1.5078609494505812
Energy: 1.53609843438306
Energy: 1.5573422344228607
Energy: 1.5761309341098269
Energy: 1.4631815894959777
Energy: 1.3657519851931723
Energy: 1.5316616593590737
Energy: 1.5310569627116202
Energy: 1.3615256067776984
Energy: 1.5347496545119552
Energy: 1.6425654417252817
Energy: 1.7894317325764084
Energy: 1.5371299895497288
Energy: 1.6047765708089614
Energy: 1.3728707327345475
Energy: 1.556665369080615
Energy: 1.5961149500547558

minimum gb energy = 1.2792447654690264 eV
minimum distance =  2.17507336716049 Angstroms
sigma value = 43


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

Energy: 1.3912130154614497
Energy: 1.3684744558717261
Energy: 1.372767465158305
Energy: 1.3698170894488084
Energy: 1.3679508757874144
Energy: 1.7273339081784957
Energy: 1.4115810368277761
Energy: 1.36386335405429
Energy: 1.3627785834409656
Energy: 1.360410036581012
Energy: 1.3857923638085448
Energy: 1.512312768694324
Energy: 1.4992273715952071
Energy: 1.5437285934242504
Energy: 1.3648964292194228
Energy: 1.3561372093128736
Energy: 1.3755983294827436
Energy: 1.642640711302406
Energy: 1.5983054251920095
Energy: 1.6461195224422
Energy: 1.3809913424734175
Energy: 1.3822485150177553
Energy: 1.5310763832229521
Energy: 1.6458057208693855
Energy: 1.5958757519170428
Energy: 1.6428805078957982
Energy: 1.6384750561476962
Energy: 1.3965211094767667
Energy: 1.639892886402111
Energy: 1.6441966555325007
Energy: 1.3467893888686702
Energy: 1.3655044307827973
Energy: 1.7287823920256702
Energy: 1.4671776102021878
Energy: 1.5648939593845808
Energy: 1.358645044184802
Energy: 1.3302522753707473
Energy: 1.3351561661100433
Energy: 1.6390357494327574
Energy: 1.435015773415313
Energy: 1.3321001848311271
Energy: 1.3336339914688127
Energy: 1.3314571432239124
Energy: 1.3345348774957424
Energy: 1.5268347924848964
Energy: 1.4334477487177295
Energy: 1.333812522010823
Energy: 1.332854909201753
Energy: 1.348859160768834
Energy: 1.3629388646551668
Energy: 1.6443998408767218
Energy: 1.6461054135871804
Energy: 1.5636841131963197
Energy: 1.351255485705517
Energy: 1.5983061634603546
Energy: 1.643772146908504
Energy: 1.6387188549810523
Energy: 1.4311703548102768
Energy: 1.6452021602412497
Energy: 1.6440810395135568
Energy: 1.8003664882911845
Energy: 1.6751032230709522
Energy: 1.3917815026096447
Energy: 1.3769995682444722
Energy: 1.5229513805981674
Energy: 1.5985551507677365
Energy: 1.5997851856301755
Energy: 1.6704285378726889
Energy: 1.3644771907404676
Energy: 1.3634407068382355
Energy: 1.369287069031565
Energy: 1.6442429628814625
Energy: 1.4977005392410623
Energy: 1.3610502687570707
Energy: 1.3629958736173597
Energy: 1.3615152721964787
Energy: 1.3633088364061565
Energy: 1.5619726538665368
Energy: 1.598879543702055
Energy: 1.3780292435890071
Energy: 1.378531226003669
Energy: 1.3778294584583266
Energy: 1.3813201728031184
Energy: 1.5545803660347328
Energy: 1.5249169638940379
Energy: 1.512459830440874
Energy: 1.5130210906097143
Energy: 1.3647025020154018
Energy: 1.5122178839167573
Energy: 1.512703562694534
Energy: 1.602370766306471
Energy: 1.5572214956000794
Energy: 1.5132915733345134
Energy: 1.3631492075244862
Energy: 1.5113987324458906
Energy: 1.529754412517313
Energy: 1.5983557186145958
Energy: 1.511103354446426
Energy: 1.5323966168769674
Energy: 1.4966547113731894
Energy: 1.472284220858303
Energy: 1.5084057135797933
Energy: 1.5979615012434345
Energy: 1.5122472090979642
Energy: 1.5113352176519177
Energy: 1.3938871523379843
Energy: 1.5147966443412566
Energy: 1.5110875645849358
Energy: 1.368407931895959
Energy: 1.3706583238504289
Energy: 1.811088231849796
Energy: 1.7491945117160432
Energy: 1.369072595298391
Energy: 1.3718374881138755
Energy: 1.359355824386138
Energy: 1.3678802828051873
Energy: 1.513112295346712
Energy: 1.3968098500541277
Energy: 1.3636835441284443
Energy: 1.36226320245344
Energy: 1.3555060253445796
Energy: 1.3647509392248063
Energy: 1.660713454270283
Energy: 1.4973506550012206
Energy: 1.3741207626854235
Energy: 1.3745870973031689
Energy: 1.374292142275854
Energy: 1.3779124510750402
Energy: 1.6433396693162243
Energy: 1.51495754894442
Energy: 1.6389322040082988
Energy: 1.380076430989776
Energy: 1.394865569629973
Energy: 1.639554713148965
Energy: 1.6436994238118063
Energy: 1.3642322739066661
Energy: 1.6452503566107433
Energy: 1.6381567195878515
Energy: 1.7966395799094166
Energy: 1.5635900090926047
Energy: 1.3622167169673174
Energy: 1.3578800757884106
Energy: 1.563500539589189
Energy: 1.72813335125041
Energy: 1.432082351330669
Energy: 1.526644413146358
Energy: 1.3345513268036704
Energy: 1.3326675174855942
Energy: 1.3338671816104868
Energy: 1.6736620033533565
Energy: 1.431729770856101
Energy: 1.5266475582357932
Energy: 1.3412831343082146
Energy: 1.3321697610095005
Energy: 1.333068999903377
Energy: 1.7244370933653923
Energy: 1.591082560461837
Energy: 1.692938373540679
Energy: 1.3603447708905392
Energy: 1.3494818200449903
Energy: 1.3606271222412498
Energy: 1.6224150329888507
Energy: 1.5320286298717742
Energy: 1.639166102006471
Energy: 1.6443955532251509
Energy: 1.3643150107786328
Energy: 1.6460910434623404
Energy: 1.6400919581202915
Energy: 1.3772148565527897
Energy: 1.3774007150441014
Energy: 1.6520673789087974
Energy: 1.6018446173556824
Energy: 1.6731152868485617
Energy: 1.377168536328583
Energy: 1.3630402063202436
Energy: 1.3826073644391086
Energy: 1.6599155182318979
Energy: 1.6006714154659636
Energy: 1.5450697985620128
Energy: 1.3659920748886765
Energy: 1.3605444781472833
Energy: 1.3621036516749843
Energy: 1.5149258093920221
Energy: 1.5216837605348308
Energy: 1.3605665752464167
Energy: 1.3622025631970884
Energy: 1.3749082834555864
Energy: 1.3814629144350339
Energy: 1.554552440026617
Energy: 1.4900713158222507
Energy: 1.379116207844792
Energy: 1.3764884785484621
Energy: 1.5968753550128485
Energy: 1.513485340785613
Energy: 1.5113628462223287
Energy: 1.430733397662254
Energy: 1.5118280333587963
Energy: 1.5132969485963075
Energy: 1.3898280180438254
Energy: 1.5116924215027219
Energy: 1.5110275774634319
Energy: 1.6012606286240547
Energy: 1.5687973632754475
Energy: 1.5125374886966865
Energy: 1.4980892737046303
Energy: 1.556058336037378
Energy: 1.5120703306313188
Energy: 1.3623198431283081
Energy: 1.5113780591895962
Energy: 1.5303266150096133
Energy: 1.3988520984218902
Energy: 1.5139174967960851
Energy: 1.5120763904400505
Energy: 1.3624244847151246
Energy: 1.5120907619730681
Energy: 1.5718063040322208

minimum gb energy = 1.3302522753707473 eV
minimum distance =  2.20618437136006 Angstroms
sigma value = 81


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

Energy: 1.3328193680993754
Energy: 1.606958207190544
Energy: 1.5486951512243916
Energy: 1.5399513201607984
Energy: 1.6059258698168728
Energy: 1.3595665454561516
Energy: 1.3788011450547886
Energy: 1.4166287176660117
Energy: 1.3656353130379761
Energy: 1.3669137749943638
Energy: 1.3667997459892942
Energy: 1.4156102137039595
Energy: 1.4286308779610477
Energy: 1.4174394910016872
Energy: 1.3652096404787917
Energy: 1.3650288551188745
Energy: 1.366020889175324
Energy: 1.4152414884224631
Energy: 1.4290533320884333
Energy: 1.415685495921246
Energy: 1.3670059303911626
Energy: 1.3625271645127064
Energy: 1.4160753759846247
Energy: 1.4166115795346015
Energy: 1.4252769426633807
Energy: 1.4152670943476422
Energy: 1.4161281711018636
Energy: 1.3589471602009198
Energy: 1.4172381517452304
Energy: 1.4180523653799084
Energy: 1.3766017107612094
Energy: 1.5419734734193546
Energy: 1.359828819359486
Energy: 1.340325632679548
Energy: 1.4157462738230815
Energy: 1.3688098820870656
Energy: 1.3786911157587236
Energy: 1.3663186972914156
Energy: 1.4187677402723025
Energy: 1.3651884030884331
Energy: 1.5437326326990022
Energy: 1.3655059995493228
Energy: 1.379807919364793
Energy: 1.3663411336391635
Energy: 1.4153382302271993
Energy: 1.4163093899258277
Energy: 1.4146391966910483
Energy: 1.3618279823098494
Energy: 1.5453111409109956
Energy: 1.364449726386051
Energy: 1.4173982565379004
Energy: 1.4157857583330855
Energy: 1.4153475377934397
Energy: 1.3683491302635378
Energy: 1.3692089939868253
Energy: 1.4147246440851116
Energy: 1.4149969818932864
Energy: 1.4144490705043549
Energy: 1.418684238561933
Energy: 1.4187273212042864

minimum gb energy = 1.3328193680993754 eV
minimum distance =  2.24763983955598 Angstroms
sigma value = 3


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

Energy: 1.6146136091127663
Energy: 1.4786300157481354
Energy: 1.478945582974879
Energy: 1.5421543841346967
Energy: 1.4794266477471687
Energy: 1.744575214791149
Energy: 1.5040489154578676
Energy: 1.3417742843985714
Energy: 1.4805599033233712
Energy: 1.4774733254830037
Energy: 1.3437878536294183
Energy: 1.5205492897547732
Energy: 1.4975624978560116
Energy: 1.4128084641194274
Energy: 1.342230724949415
Energy: 1.4777872953110733
Energy: 1.3421027604720392
Energy: 1.4770745731969848
Energy: 1.4749683336836936
Energy: 1.5071281206330045
Energy: 1.3557956567397222
Energy: 1.49844140243301
Energy: 1.4919294074730645
Energy: 1.502344006238973
Energy: 1.4772600316788795
Energy: 1.535946238292691
Energy: 1.6102540786168085
Energy: 1.6928936107161876
Energy: 1.5324879940783236
Energy: 1.476285586595582
Energy: 1.592946731521543
Energy: 1.491458242238629
Energy: 1.5794712314821808
Energy: 1.5693617812929794
Energy: 1.4920679906990433
Energy: 1.5483962641831848
Energy: 1.6086690184618353
Energy: 1.5048210318009752
Energy: 1.50348432282767
Energy: 1.4965621894863659
Energy: 1.671932360903811
Energy: 1.502897423874807
Energy: 1.60984806476695
Energy: 1.5038151387106318
Energy: 1.353629756586199
Energy: 1.3512716746584235
Energy: 1.3448015314162516
Energy: 1.5089704266554076
Energy: 1.693726308389027
Energy: 1.3455939473071208
Energy: 1.3414516611258118
Energy: 1.3204358231400246
Energy: 1.3427424509379216
Energy: 1.7014812329138913
Energy: 1.6950941365678263
Energy: 1.3398749281863624
Energy: 1.3506833659743385
Energy: 1.3229504315274663
Energy: 1.3456369721233532
Energy: 1.602760337785992
Energy: 1.59058510907939
Energy: 1.5830432189579435
Energy: 1.5738329553932715
Energy: 1.3199491195497695
Energy: 1.5985695446914872
Energy: 1.707743752220652
Energy: 1.6940181097079214
Energy: 1.6514338267356492
Energy: 1.3451969576129532
Energy: 1.7222727744367325
Energy: 1.703897425105563
Energy: 1.6163926658764933
Energy: 1.3169967450642872
Energy: 1.3466756274913998
Energy: 1.3453903665337172
Energy: 1.7226751080901328
Energy: 1.341224767562314
Energy: 1.3500174457081315
Energy: 1.3145280062259088
Energy: 1.3440022871044548
Energy: 1.3407791614964941
Energy: 1.6939565843953224
Energy: 1.341108091932144
Energy: 1.3328660997239288
Energy: 1.33749187154644
Energy: 1.3415393628891896
Energy: 1.3418865783360718
Energy: 1.6812586332552704
Energy: 1.4800647647053902
Energy: 1.3541071108076284
Energy: 1.3180590451297418
Energy: 1.5597011878154599
Energy: 1.7168972742528497
Energy: 1.6811460398499183
Energy: 1.5570031362865382
Energy: 1.352856290735972
Energy: 1.6532108576019964
Energy: 1.4789748896309571
Energy: 1.699830452802767
Energy: 1.5921899020937327
Energy: 1.569984104728601
Energy: 1.3223785533897654
Energy: 1.7247082451470912
Energy: 1.4814054733324005
Energy: 1.4765737455029724
Energy: 1.4963584057640893
Energy: 1.3408615202759473
Energy: 1.6530049064308963
Energy: 1.4973553728249498
Energy: 1.493914159755947
Energy: 1.5047156017703753
Energy: 1.5013112185421575
Energy: 1.5044378058802428
Energy: 1.5161907164073565
Energy: 1.474323744599461
Energy: 1.345027009267678
Energy: 1.347261504950096
Energy: 1.4798173200059632
Energy: 1.3407930358055975
Energy: 1.502796023437672
Energy: 1.4733164359685846
Energy: 1.5053101678881444
Energy: 1.524551660148107
Energy: 1.4961510113101986
Energy: 1.5046858189432668
Energy: 1.5103280103960228
Energy: 1.4759748240205626
Energy: 1.477146479657759
Energy: 1.565624340965768
Energy: 1.5139726268976934
Energy: 1.4839693476561713
Energy: 1.4898282318646363
Energy: 1.6804292305742947
Energy: 1.4781417308545874
Energy: 1.6110067595053794
Energy: 1.6927227828053506
Energy: 1.6756824325935626
Energy: 1.6994372998253395
Energy: 1.6134055564759604
Energy: 1.723717705438088
Energy: 1.3548901053697187
Energy: 1.3511862558604524
Energy: 1.586650351647104
Energy: 1.663324383546373
Energy: 1.6800846563188974
Energy: 1.4809659736467953
Energy: 1.342085651306935
Energy: 1.344652690224385
Energy: 1.3431489963221606
Energy: 1.699251009861221
Energy: 1.6946031239094708
Energy: 1.3415421743481013
Energy: 1.355664692076681
Energy: 1.3404605714891853
Energy: 1.3421468695640277
Energy: 1.4490174879190634
Energy: 1.59033352966808
Energy: 1.5829049946998976
Energy: 1.3553016737726205
Energy: 1.3445769857575707
Energy: 1.5170812889013308
Energy: 1.7127762353768319
Energy: 1.694155234639696
Energy: 1.5171210756445557
Energy: 1.5178617273504715
Energy: 1.7228403039379396
Energy: 1.5163359963158454
Energy: 1.6026460834813736
Energy: 1.3444663017567424
Energy: 1.3476290815108127
Energy: 1.7535441143665953
Energy: 1.3431179655722447
Energy: 1.5675519157547253
Energy: 1.354276080812961
Energy: 1.3224713562666615
Energy: 1.3416327309987923
Energy: 1.3442531170427139
Energy: 1.6945954081561838
Energy: 1.3389898027320326
Energy: 1.3360084150477909
Energy: 1.3198830467071272
Energy: 1.3422737738119872
Energy: 1.480919110843996
Energy: 1.6863065076022952
Energy: 1.3417624231516292
Energy: 1.3388685193646628
Energy: 1.3377718753956311
Energy: 1.4946092867079057
Energy: 1.715763335091912
Energy: 1.716989269429451
Energy: 1.5553140643022394
Energy: 1.3564366713371523
Energy: 1.6476591520734436
Energy: 1.6109479125500743
Energy: 1.4942567782134328
Energy: 1.6814351982160067
Energy: 1.3404615958099197
Energy: 1.6527497501025998

minimum gb energy = 1.3145280062259088 eV
minimum distance =  2.22610548224707 Angstroms
sigma value = 67


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

Energy: 2.0126400772028945
Energy: 1.809024207081137
Energy: 1.5626310931579508
Energy: 1.536225768175829
Energy: 1.8078853984401901
Energy: 1.4484415240754145
Energy: 1.4844435206567315
Energy: 1.3855934313868725
Energy: 1.4819772294058688
Energy: 1.4892206174764036
Energy: 1.4821046013859922
Energy: 1.5623883696879457
Energy: 1.4864822113985268
Energy: 1.3436336693544457
Energy: 1.5262708594985401
Energy: 1.4918595397614391
Energy: 1.3882815601669893
Energy: 1.48554901580075
Energy: 1.5040376542576679
Energy: 1.5321494859442708
Energy: 1.4106650491941621
Energy: 1.433473532371911
Energy: 1.3705527909272355
Energy: 1.528999286345704
Energy: 1.4900772695308757
Energy: 1.548487808427094
Energy: 1.5719970184536831
Energy: 1.4352068885510136
Energy: 1.5353065849643273
Energy: 1.4985650162078235
Energy: 1.5162035975309869
Energy: 1.5407189549871894
Energy: 1.835586538299123
Energy: 1.5756559594377741
Energy: 1.4909446752442717
Energy: 1.542948666423682
Energy: 1.7143091210295214
Energy: 1.5390268405482725
Energy: 1.7930889151864127
Energy: 1.3945121527257307
Energy: 1.5426374658486586
Energy: 1.5358529450721474
Energy: 1.667208137843402
Energy: 1.5386955010599999
Energy: 1.3662586637428231
Energy: 1.3818814234392878
Energy: 1.3716834178581316
Energy: 1.769762135220444
Energy: 1.6268651497213693
Energy: 1.2662688720498858
Energy: 1.3813074539387102
Energy: 1.3668387909506807
Energy: 1.3872992557878996
Energy: 1.5752011689806276
Energy: 1.574115751632484
Energy: 1.4318295157735013
Energy: 1.3892100737574762
Energy: 1.3677366753040765
Energy: 1.269889109953959
Energy: 1.338612116471493
Energy: 1.5741693422800418
Energy: 1.7120298141975467
Energy: 1.719418761302826
Energy: 1.4468849787744562
Energy: 1.7218644930151705
Energy: 1.4508111618177133
Energy: 1.5739972138098672
Energy: 1.7352615157710383
Energy: 1.2673152233693261
Energy: 1.6314865814846835
Energy: 1.2704857363194053
Energy: 1.4784628717433617
Energy: 1.3845209602123023
Energy: 1.2701140745877944
Energy: 1.2663429271044786
Energy: 1.6304070337277135
Energy: 1.2665787586141748
Energy: 1.2697368203953778
Energy: 1.3796115221103817
Energy: 1.4358721474540692
Energy: 1.4384337038249826
Energy: 1.5480913476121636
Energy: 1.4370137052107939
Energy: 1.435576427306898
Energy: 1.380152944027522
Energy: 1.4240417494100939
Energy: 1.6364685428105292
Energy: 1.550286212726757
Energy: 1.5120846979739124
Energy: 1.2683501048803076
Energy: 1.3784838427018593
Energy: 1.421446225630071
Energy: 1.6066911128586012
Energy: 1.553567706734506
Energy: 1.6037726870242164
Energy: 1.403070917144482
Energy: 1.6706956351066553
Energy: 1.4627418333028763
Energy: 1.5552985834487585
Energy: 1.5512771725023624
Energy: 1.5997816639790812
Energy: 1.5981900012308912
Energy: 1.669661127992379
Energy: 1.462933992152456
Energy: 1.7525771396141618
Energy: 1.6195602269025906
Energy: 1.5441223486880722
Energy: 1.3087621270487206
Energy: 1.3020057934077747
Energy: 1.302381011907782
Energy: 1.7681126710567778
Energy: 1.7648786140556765
Energy: 1.826053673787268
Energy: 1.3287068402533109
Energy: 1.3002434735797628
Energy: 1.306145295945483
Energy: 1.3477024493431276
Energy: 1.6121711775056113
Energy: 1.3108973013421672
Energy: 1.315990016614529
Energy: 1.3137874556363534
Energy: 1.3086206540564917
Energy: 1.4057287436435428
Energy: 1.697192994141955
Energy: 1.34430991392842
Energy: 1.3130646543316051
Energy: 1.3134124591737357
Energy: 1.3437458670343563
Energy: 1.4791140039087598
Energy: 1.492938552391661
Energy: 1.6614602903901163
Energy: 1.3361622899636498
Energy: 1.5519412871846687
Energy: 1.4323011809905026
Energy: 1.5524299069853673
Energy: 1.6931503722049333
Energy: 1.3866818127062963
Energy: 1.3863303698562637

minimum gb energy = 1.2662688720498858 eV
minimum distance =  2.23067497072947 Angstroms
sigma value = 33


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

Energy: 1.7786103896076724
Energy: 1.7208824359515815
Energy: 1.58647575484864
Energy: 1.5834591910596751
Energy: 1.5951593777499802
Energy: 1.8452953430015964
Energy: 1.3331959701874565
Energy: 1.4610805333255577
Energy: 1.6421635735715785
Energy: 1.5403127771710696
Energy: 1.4619877964682124
Energy: 1.4582561741143263
Energy: 1.3395778918456518
Energy: 1.3506046174706676
Energy: 1.5686531471153988
Energy: 1.4648278090974152
Energy: 1.45641931302733
Energy: 1.3330869813038884
Energy: 1.3238206261004273
Energy: 1.3537364239803824
Energy: 1.3496517051475503
Energy: 1.538721093540486
Energy: 1.3280838258151053
Energy: 1.3476205633528668
Energy: 1.3391606613745821
Energy: 1.3263337773157962
Energy: 1.4618102182530759
Energy: 1.4681486075100294
Energy: 1.3236011798499379
Energy: 1.347692752680048
Energy: 1.3366329516348094
Energy: 1.4855081292290073
Energy: 1.6687220464225505
Energy: 1.8094116619176328
Energy: 1.7966406491573463
Energy: 1.3542847111036302
Energy: 1.5866155974486178
Energy: 1.3510573002389246
Energy: 1.6782664421606435
Energy: 1.4706975712698238
Energy: 1.6423164891382487
Energy: 1.4223562195853392
Energy: 1.5867964194441462
Energy: 1.2821111388138253
Energy: 1.3266144278723913
Energy: 1.3370685996947271
Energy: 1.3471523447879732
Energy: 1.4650790124795143
Energy: 1.5170528559672312
Energy: 1.323065306270119
Energy: 1.3582664529129782
Energy: 1.3221198982768219
Energy: 1.3639036623101644
Energy: 1.5076537656900801
Energy: 1.5304935483400601
Energy: 1.4194724540436943
Energy: 1.3610259702246528
Energy: 1.3256131512937506
Energy: 1.327548825564631
Energy: 1.5698126026255732
Energy: 1.532257091574856
Energy: 1.6153429516653885
Energy: 1.3421571582764236
Energy: 1.3624196085417388
Energy: 1.4189758073260352
Energy: 1.621023422694149
Energy: 1.5384177730055306
Energy: 1.534035553502265
Energy: 1.2330974723410209
Energy: 1.4720636681116182
Energy: 1.325726031928251
Energy: 1.5312224472628295
Energy: 1.6636716568574306
Energy: 1.733883799378645
Energy: 1.2282378523517008
Energy: 1.6328036841092726
Energy: 1.2431701578199847
Energy: 1.6018501571529216
Energy: 1.6375037645294084
Energy: 1.8140163251043584
Energy: 1.236912835751352
Energy: 1.2343519406445627
Energy: 1.329250043263469
Energy: 1.765810145270472
Energy: 1.6390111979598443
Energy: 1.3449985637035315
Energy: 1.2397166740409684
Energy: 1.234751781704371
Energy: 1.238670089862929
Energy: 1.5477470085696454
Energy: 1.6037755527479656
Energy: 1.2695624318384482
Energy: 1.232232681839672
Energy: 1.2236745083104874
Energy: 1.246894893960868
Energy: 1.676918079102487
Energy: 1.5299647613772893
Energy: 1.635701668543572
Energy: 1.2577627217289757
Energy: 1.2293505781238558
Energy: 1.2605626387822155
Energy: 1.6213026891004312
Energy: 1.649857501109719
Energy: 1.4583858615280156
Energy: 1.4554947650147243
Energy: 1.3661520407410503
Energy: 1.6375937529139364
Energy: 1.5320542745403383
Energy: 1.5675372375211678
Energy: 1.5763746855996632
Energy: 1.4338646312250551
Energy: 1.8521709676925775
Energy: 1.7015289668715545
Energy: 1.5723879078528287
Energy: 1.5369159193768371
Energy: 1.4584089234794713
Energy: 1.3992761869294268
Energy: 1.488362168240688
Energy: 1.4643988495767437
Energy: 1.531581702550267
Energy: 1.4178815603566468
Energy: 1.5687435397028822
Energy: 1.3261993771687934
Energy: 1.3409612614153934
Energy: 1.4750690090710625
Energy: 1.6148726136051872
Energy: 1.5396964430590339
Energy: 1.3530711609969681
Energy: 1.349451282661732
Energy: 1.3499156616607952
Energy: 1.364771637131559
Energy: 1.5309446712300758
Energy: 1.4688376225815756
Energy: 1.3794508289669893
Energy: 1.336228815733976
Energy: 1.3371964451463032
Energy: 1.3895189614867136
Energy: 1.6334307515171136
Energy: 1.6583961701570544
Energy: 1.799560129967022
Energy: 1.3498053974733726
Energy: 1.3422080428792729
Energy: 1.4998206556104583
Energy: 1.8077691358104204
Energy: 1.4712928605097415
Energy: 1.6601495003737385
Energy: 1.3265213526768325
Energy: 1.4933090029617775
Energy: 1.3783058234009478
Energy: 1.671724884807658
Energy: 1.3360251116466921
Energy: 1.350516264164209
Energy: 1.8459177952115178
Energy: 1.6360582024123747
Energy: 1.2681237632864226
Energy: 1.3348118582549544
Energy: 1.3237095649393367
Energy: 1.3527006558781716
Energy: 1.3256811474317196
Energy: 1.56053063264115
Energy: 1.3573443283414321
Energy: 1.3479831497314745
Energy: 1.3230194482601725
Energy: 1.3256771724250196
Energy: 1.3505061162182384
Energy: 1.5320862875267218
Energy: 1.3427741046533226
Energy: 1.3537906636224393
Energy: 1.3368502493694747
Energy: 1.3588028355053432
Energy: 1.617883962982643
Energy: 1.6275594224977414
Energy: 1.6172105291815408
Energy: 1.335265210870983
Energy: 1.5381190739937851
Energy: 1.4114674626514678
Energy: 1.5319459416514285
Energy: 1.5324414540442777
Energy: 1.5315180193041182
Energy: 1.3199657965147293
Energy: 1.5117105223126592
Energy: 1.2474846041617353
Energy: 1.6021517785208712
Energy: 1.6636248750777831
Energy: 1.7289240458037338
Energy: 1.341765436943222
Energy: 1.3717131558476863
Energy: 1.4889149365646184
Energy: 1.6200777925415553
Energy: 1.6372772730460903
Energy: 1.6162185803974984
Energy: 1.3324430911600018
Energy: 1.227765432394693
Energy: 1.2492335603381368
Energy: 1.41819620412815
Energy: 1.6364473747084696
Energy: 1.3375001490279397
Energy: 1.238022942022663
Energy: 1.2253624758957748
Energy: 1.2316195390459235
Energy: 1.2298465887621088
Energy: 1.6037289566715283
Energy: 1.2406445819396181
Energy: 1.2268753991838843
Energy: 1.2285091218329007
Energy: 1.2626765723886881
Energy: 1.5717828128825735
Energy: 1.559817239850789
Energy: 1.3551103420239714
Energy: 1.2441878827820196
Energy: 1.3686904069551515
Energy: 1.6359346390579437
Energy: 1.62263842061143
Energy: 1.6651428073092518
Energy: 1.459254838788891
Energy: 1.351511296711377
Energy: 1.5736614947260081
Energy: 1.3800210091037615
Energy: 1.624875050601042
Energy: 1.658381714870488
Energy: 1.7012741679424286
Energy: 1.852341067030554

minimum gb energy = 1.2236745083104874 eV
minimum distance =  2.22137789717487 Angstroms
sigma value = 41


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

Energy: 1.8886954962329117
Energy: 1.7456756856763371
Energy: 1.3253004231100676
Energy: 1.3364012245569499
Energy: 1.3241480089921178
Energy: 1.7334754375256758
Energy: 1.3180214013081097
Energy: 1.0936214533796302
Energy: 1.0951375076314709
Energy: 1.3713721746082517
Energy: 1.090399551448194
Energy: 1.3488182752491655
Energy: 1.322555333341402
Energy: 1.0899226943837945
Energy: 1.0906832000190134
Energy: 1.0397511016007062
Energy: 1.0934318026801868
Energy: 1.3587125987804496
Energy: 1.3586756105301272
Energy: 1.4129339579270346
Energy: 1.0953482799615142
Energy: 1.3259819562843755
Energy: 1.0950361397108919
Energy: 1.402421545000188
Energy: 1.323610002705835
Energy: 1.3655366682396317
Energy: 1.4620636018327509
Energy: 1.3290490944058582
Energy: 1.454405060043856
Energy: 1.3387981412718968
Energy: 1.323554690318289
Energy: 1.3352834508366378
Energy: 1.7113161761524367
Energy: 1.3906363689935073
Energy: 1.7088785567756457
Energy: 1.3357721044573256
Energy: 1.6122275279576228
Energy: 1.4121278291272867
Energy: 1.0909158496905935
Energy: 1.3189699117568414
Energy: 1.4412922758016178
Energy: 1.6862674505698527
Energy: 1.6409760650755616
Energy: 1.409219791236748
Energy: 1.3471907628729283
Energy: 1.320777942784527
Energy: 1.101023408532913
Energy: 1.7439319880795816
Energy: 1.3203230957303749
Energy: 1.0998302276937417
Energy: 1.0897148873448954
Energy: 1.0390071898833013
Energy: 1.0968545765673892
Energy: 1.3439046321780153
Energy: 1.3301057325063779
Energy: 1.0979468288220047
Energy: 1.0893748490341477
Energy: 1.3705079455409659
Energy: 1.0976386368992783
Energy: 1.3432534076896394
Energy: 1.32744900825805
Energy: 1.4127019909535719
Energy: 1.0899431520550076
Energy: 1.3238703873093316
Energy: 1.4046300703942467
Energy: 1.402387636149039
Energy: 1.3199931821449553
Energy: 1.3406183677376695
Energy: 1.1011628020041764
Energy: 1.326025078273971
Energy: 1.0936053124207934
Energy: 1.3326247486158942
Energy: 1.3152619455802317
Energy: 1.3403439266199835
Energy: 1.0996774583932378
Energy: 1.3790162323265278
Energy: 1.0960582095782194
Energy: 1.3440611227257149
Energy: 1.6548190662585396
Energy: 1.418203769127159
Energy: 1.3392325554749867
Energy: 1.3222242777598259
Energy: 1.343969168002674
Energy: 1.7359089684963158

minimum gb energy = 1.0390071898833013 eV
minimum distance =  2.22146611278506 Angstroms
sigma value = 11


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

Energy: 1.7816949260644066
Energy: 1.550221997327782
Energy: 1.474740449623442
Energy: 1.4691476060401052
Energy: 1.4374995917719977
Energy: 1.9011684683790404
Energy: 1.26848089002428
Energy: 1.4724142047985451
Energy: 1.428771270057977
Energy: 1.4804297461228182
Energy: 1.380791132594006
Energy: 1.2875520257515538
Energy: 1.2707020990544111
Energy: 1.279553728148579
Energy: 1.4305393337287469
Energy: 1.5505173375825736
Energy: 1.4312650257555521
Energy: 1.272917244462155
Energy: 1.267934132597339
Energy: 1.2760316742635296
Energy: 1.2785837967418856
Energy: 1.5317922779803252
Energy: 1.2807513915457092
Energy: 1.2821394933927195
Energy: 1.2666806210471904
Energy: 1.2945061680001633
Energy: 1.2824178367418773
Energy: 1.5299525956244133
Energy: 1.2792797595421284
Energy: 1.2746980249678792
Energy: 1.2679548194718442
Energy: 1.2806085800623783
Energy: 1.7290247507446868
Energy: 1.6226051767890033
Energy: 1.7308749363119837
Energy: 1.2691437101162548
Energy: 1.36712790201072
Energy: 1.3796353998736997
Energy: 1.5529515652666201
Energy: 1.5497632725076411
Energy: 1.6050752503058663
Energy: 1.4170009727836506
Energy: 1.6277972838548687
Energy: 1.4151438761067234
Energy: 1.4389360885795093
Energy: 1.4388607799710695
Energy: 1.4390015264240361
Energy: 1.7225611479176126
Energy: 1.2712900543601873
Energy: 1.2798701534963601
Energy: 1.426855998739941
Energy: 1.7454703781026681
Energy: 1.3826704199697155
Energy: 1.2700711850153672
Energy: 1.3656183632446945
Energy: 1.3833353160148243
Energy: 1.3805294339090715
Energy: 1.7454452154760227
Energy: 1.3861393869408678
Energy: 1.3727691253645422
Energy: 1.3804383602330836
Energy: 1.4139290746368685
Energy: 1.3089494241257464
Energy: 1.4167742141899655
Energy: 1.388172402574844
Energy: 1.413306431870298
Energy: 1.379870873766449
Energy: 1.3080623196755459
Energy: 1.4131441619129004
Energy: 1.3805083477757298
Energy: 1.3884439719915096
Energy: 1.4339737194655748
Energy: 1.4232329224713378
Energy: 1.4157179788847492
Energy: 1.3992910049156058
Energy: 1.3766181667790727
Energy: 1.4134833855621638
Energy: 1.4158824996807413
Energy: 1.607588010745648
Energy: 1.3911015780514016
Energy: 1.3864814408545287
Energy: 1.2623804981763476
Energy: 1.3944728911836286
Energy: 1.380768800034795
Energy: 1.5150103499574883
Energy: 1.3806813585467619
Energy: 1.2802809806600421
Energy: 1.2723399527901933
Energy: 1.4594576613093388
Energy: 1.580391879354379
Energy: 1.439584192822122
Energy: 1.4427677271635422
Energy: 1.47520995537244
Energy: 1.904733660652654
Energy: 1.5355607828479305
Energy: 1.439459657281709
Energy: 1.5287968044362346
Energy: 1.4253330820046166
Energy: 1.4652099474155238
Energy: 1.254641601360919
Energy: 1.4682209014310066
Energy: 1.5234994134627997
Energy: 1.4722295677435089
Energy: 1.431733836880103
Energy: 1.2737256546642715
Energy: 1.278766140172367
Energy: 1.277705433194584
Energy: 1.5488172132384395
Energy: 1.5278763555910782
Energy: 1.2846851542313524
Energy: 1.2839967601992286
Energy: 1.2672567215125619
Energy: 1.2802543200299163
Energy: 1.4530996169807455
Energy: 1.4802944675628524
Energy: 1.2775323347516547
Energy: 1.282418365040801
Energy: 1.2701923941018067
Energy: 1.280407318183846
Energy: 1.3806787291196572
Energy: 1.6238159252086268
Energy: 1.7283762922548478
Energy: 1.2728679077643077
Energy: 1.2688991387736361
Energy: 1.2773816408417678
Energy: 1.7316462763943667
Energy: 1.515771869522099
Energy: 1.5810924503104857
Energy: 1.3812821721863229
Energy: 1.4242633030206626
Energy: 1.3806109834677676
Energy: 1.5236177823228692
Energy: 1.4375994471061917
Energy: 1.4386741040707693
Energy: 1.723159710000717
Energy: 1.614504544688182
Energy: 1.5385914771645313
Energy: 1.4411665255913988
Energy: 1.4711139826917943
Energy: 1.3820108398930102
Energy: 1.2743065683624895
Energy: 1.2783307845457927
Energy: 1.380400465869454
Energy: 1.2719612749381675
Energy: 1.7442820662766603
Energy: 1.382282885792483
Energy: 1.3712775370150205
Energy: 1.367172620923914
Energy: 1.3807708795917175
Energy: 1.2721717236842307
Energy: 1.3667199415056284
Energy: 1.390537032982548
Energy: 1.4141263683366585
Energy: 1.381712007960216
Energy: 1.4138895903020317
Energy: 1.4191030740737038
Energy: 1.3775902119226358
Energy: 1.440520260358545
Energy: 1.3798238480766611
Energy: 1.3819266528998713
Energy: 1.3092990345604782
Energy: 1.412100838803346
Energy: 1.377388965157786
Energy: 1.4139717037614699
Energy: 1.3078879981430616
Energy: 1.4167214540042692
Energy: 1.4226831954530428
Energy: 1.4317885661114287
Energy: 1.3675117139363928
Energy: 1.380740405979977
Energy: 1.3833156093829246
Energy: 1.6261683417349468
Energy: 1.381687449029765
Energy: 1.372846154771492
Energy: 1.2809036538481797
Energy: 1.431198342998991
Energy: 1.4268298375415382
Energy: 1.6414515182020268
Energy: 1.3841386930519957
Energy: 1.2795224862916863
Energy: 1.6843187118881697
Energy: 1.6023560342381367
Energy: 1.4404908079481051
Energy: 1.5559158157835924
Energy: 1.4218002143243915
Energy: 1.4829536153296263

minimum gb energy = 1.254641601360919 eV
minimum distance =  2.19330402065344 Angstroms
sigma value = 57


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

Energy: 2.1981784588694637
Energy: 1.866258300721423
Energy: 1.4571752612655546
Energy: 1.447961214300925
Energy: 1.5381396592528134
Energy: 1.9235225902986153
Energy: 1.3882714489264936
Energy: 1.3651377771704143
Energy: 1.3638204202292281
Energy: 1.3177536609140652
Energy: 1.3776346803615436
Energy: 1.3644553302012974
Energy: 1.3104634092384673
Energy: 1.328199644050083
Energy: 1.343967207521901
Energy: 1.329501581224184
Energy: 1.3454509715878458
Energy: 1.3486348862361748
Energy: 1.3155369732090099
Energy: 1.3473795209119788
Energy: 1.4858498710633212
Energy: 1.317897457576225
Energy: 1.3399759848581265
Energy: 1.3265704559049716
Energy: 1.311921441659085
Energy: 1.3300332083418525
Energy: 1.378039779045014
Energy: 1.3175232084556836
Energy: 1.3558148247572976
Energy: 1.3264157142019468
Energy: 1.3163382986316237
Energy: 1.3469538189898875
Energy: 1.630531553930324
Energy: 1.316601586535136
Energy: 1.6347380963502822
Energy: 1.317491857156772
Energy: 1.378071886291012
Energy: 1.3744964072799284
Energy: 1.331363935470896
Energy: 1.311313875827152
Energy: 1.3723512181762734
Energy: 1.3458514907122894
Energy: 1.3117348372540394
Energy: 1.3440664406888703
Energy: 1.3130431402106566
Energy: 1.3182550015876162
Energy: 1.320702062415451
Energy: 1.36228831860969
Energy: 1.316455801010208
Energy: 1.3294157700413525
Energy: 1.665188023409304
Energy: 1.2981928920764942
Energy: 1.6278040105084266
Energy: 1.3117808204527397
Energy: 1.3101927824679533
Energy: 1.3372870874905989
Energy: 1.3281751250846716
Energy: 1.2992043890036071
Energy: 1.3745728809408257
Energy: 1.3118633281694154
Energy: 1.2984919748890318
Energy: 1.3434134687553596
Energy: 1.3660478877697528
Energy: 1.317165962721215
Energy: 1.3603228165550845
Energy: 1.3464594691990202
Energy: 1.2980121901771133
Energy: 1.37689529726452
Energy: 1.3278291072668291
Energy: 1.3142374268576804
Energy: 1.3539245355476233
Energy: 1.3754740219743145
Energy: 1.3123042908262008
Energy: 1.3407143794512577
Energy: 1.3391224791031362
Energy: 1.3268281088167038
Energy: 1.3403602103622196
Energy: 1.3230165045995237
Energy: 1.316504243667722
Energy: 1.3475864780043987
Energy: 1.3138424865522034
Energy: 1.313536831860873
Energy: 1.3612082323431116
Energy: 1.6286068303338266
Energy: 1.316492636374121
Energy: 1.3785760724520197
Energy: 1.4844135498299735
Energy: 1.316839715588233
Energy: 1.3637721412327977
Energy: 1.3135620161061692
Energy: 1.524777694425176
Energy: 1.326779017510323
Energy: 1.3290828667532109
Energy: 1.619848813060269
Energy: 1.3293766915282035
Energy: 1.5389125202257365
Energy: 1.2993434025740271
Energy: 1.368285932795342
Energy: 1.3628896885114783
Energy: 1.3113503751255142
Energy: 1.3771690229720135
Energy: 1.3212160641482766

minimum gb energy = 1.2980121901771133 eV
minimum distance =  2.23589785356473 Angstroms
sigma value = 9


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

Energy: 2.385333510294298
Energy: 1.4916407947676174
Energy: 1.462385205974173
Energy: 1.4632400400055952
Energy: 1.4629356547787142
Energy: 2.0036540244895926
Energy: 1.3426452575076262
Energy: 1.4462730051927613
Energy: 1.4452352571675
Energy: 1.380821675770042
Energy: 1.5189175400216124
Energy: 1.4145129947849704
Energy: 1.343741986583508
Energy: 1.3434650958083991
Energy: 1.4282192220053163
Energy: 1.4293107713358386
Energy: 1.444615130902428
Energy: 1.341986092270423
Energy: 1.38092580694511
Energy: 1.4375577536728776
Energy: 1.3710037101199926
Energy: 1.3481901844755448
Energy: 1.4329350671146277
Energy: 1.3677931117608382
Energy: 1.3699437428246053
Energy: 1.3836992616879438
Energy: 1.3707872542603587
Energy: 1.371562747848584
Energy: 1.3676061267479958
Energy: 1.3838904185473755
Energy: 1.3490701641317115
Energy: 1.3691193511540978
Energy: 1.3837563260437071
Energy: 1.3752237897052448
Energy: 1.3974046542179421
Energy: 1.3660828876848257
Energy: 1.3789677410095404
Energy: 1.448190611647325
Energy: 1.3675863713942862
Energy: 1.3783624972106612
Energy: 1.3685024367007392
Energy: 1.4084110260470155
Energy: 1.3794190695864852
Energy: 1.499407439250636
Energy: 1.3429648301919008
Energy: 1.3422475730430183
Energy: 1.342571975327906
Energy: 1.5043039856418154
Energy: 1.3485321765621188
Energy: 1.3712764830096889
Energy: 1.5024947256923364
Energy: 1.3771598734075174
Energy: 1.495962047171814
Energy: 1.3511940855036502
Energy: 1.3426908083336728
Energy: 1.3438567829732635
Energy: 1.5027398755077934
Energy: 1.3783210993267705
Energy: 1.4966559998042088
Energy: 1.4157308676790448
Energy: 1.338123435166118
Energy: 1.499469232677648
Energy: 1.3538473127657948
Energy: 1.3424622447654497
Energy: 1.3614150385908528
Energy: 1.4280014595402142
Energy: 1.3396047643479498
Energy: 1.502985699926478
Energy: 1.3712776632256845
Energy: 1.390241914517669
Energy: 1.3958618565917544
Energy: 1.4258267959357833
Energy: 1.3416702360907025
Energy: 1.342454193589384
Energy: 1.503938114986356
Energy: 1.398018117539446
Energy: 1.4511204568205984
Energy: 1.3431360301373996
Energy: 1.3420689187786006
Energy: 1.369656981579094
Energy: 1.4541161762824604
Energy: 1.390648779806023
Energy: 1.4612480185485441
Energy: 1.381471838971688
Energy: 1.369498019316543
Energy: 1.3860200247813586
Energy: 1.3650220957175143
Energy: 1.3478601975491153
Energy: 1.3665088070954572
Energy: 1.385595576025925
Energy: 1.3694178929086303
Energy: 1.3691616420010246
Energy: 1.381341799439797
Energy: 1.3842010085416705
Energy: 1.3928930864874505
Energy: 1.3677109556826776
Energy: 1.3499153081209692
Energy: 1.4085638436849188
Energy: 1.3675676410332316
Energy: 1.3663638720924831
Energy: 1.4441170769261715
Energy: 1.417941202197681
Energy: 1.3829663445882556
Energy: 1.456501156781937
Energy: 1.3434455579200786
Energy: 1.3424672385562233
Energy: 1.3465659852103935
Energy: 1.729505593294367
Energy: 1.3875104831651033
Energy: 1.403334382334578
Energy: 1.4830585040090603
Energy: 1.3492723132115505
Energy: 1.516492343035025
Energy: 1.3700633410722325
Energy: 1.349089937320041
Energy: 1.3496164988175348
Energy: 1.409322712955154
Energy: 1.716974152385235
Energy: 1.3564006228724972
Energy: 1.3495921688163535
Energy: 1.3382658170032986
Energy: 1.5109587407981466
Energy: 1.368341298563531
Energy: 1.3432349853645704
Energy: 1.4474486641382067
Energy: 1.3693067119885873

minimum gb energy = 1.338123435166118 eV
minimum distance =  2.23604101538827 Angstroms
sigma value = 27


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

Energy: 1.5335491032344275
Energy: 1.4109812265938262
Energy: 1.405359755953034
Energy: 1.4039580040420803
Energy: 1.4060481131525342
Energy: 2.0068467245170756
Energy: 1.332539203129779
Energy: 1.4427148983545257
Energy: 1.3585189796652781
Energy: 1.3399985560546313
Energy: 1.5514279386148864
Energy: 1.3601784725514845
Energy: 1.3361153789202709
Energy: 1.3417943593891828
Energy: 1.500957733564604
Energy: 1.512600449907686
Energy: 1.4348406534993479
Energy: 1.3407841525587785
Energy: 1.3351569887817853
Energy: 1.50538014049377
Energy: 1.4331536306091086
Energy: 1.3393850432926069
Energy: 1.4649493770331175
Energy: 1.341201046799684
Energy: 1.344560408960008
Energy: 1.3746581227115648
Energy: 1.3488774976500348
Energy: 1.3636551158327594
Energy: 1.3509431754021806
Energy: 1.4237850285202138
Energy: 1.321030709023451
Energy: 1.4504325357661618
Energy: 1.3516031307520275
Energy: 1.3503866710675316
Energy: 1.3730776689631359
Energy: 1.3237982088527542
Energy: 1.3352634057489472
Energy: 1.3890117016351873
Energy: 1.3500826780659563
Energy: 1.3501323149240956
Energy: 1.3490434301495469
Energy: 1.4231432105362078
Energy: 1.3359800882058153
Energy: 1.4215504595503474
Energy: 1.4326219311602555
Energy: 1.3412593864020013
Energy: 1.3732476141933274
Energy: 1.4244156119928926
Energy: 1.3299269895529535
Energy: 1.3413690880680489
Energy: 1.4654917508592513
Energy: 1.3398442683521412
Energy: 1.4658940357386354
Energy: 1.3437923328788905
Energy: 1.3329999927591047
Energy: 1.4096434928163886
Energy: 1.5531946928046556
Energy: 1.3400111679825342
Energy: 1.56705748868545
Energy: 1.4109098051451148
Energy: 1.335884933703194
Energy: 1.5702825925659958
Energy: 1.3411279984422904
Energy: 1.3408580245916748
Energy: 1.3419570611306932
Energy: 1.7698735530135357
Energy: 1.3364284059056912
Energy: 1.5700640002587938
Energy: 1.3979163436153605
Energy: 1.3332791377293671
Energy: 1.3608680439506753
Energy: 1.561099210608361
Energy: 1.4026330774766536
Energy: 1.3329188284689342
Energy: 1.5025783577652128
Energy: 1.3134256376579716
Energy: 1.3587279886070562
Energy: 1.3356079697558718
Energy: 1.3391534681448496
Energy: 1.3609042438077958
Energy: 1.5516104317772301
Energy: 1.3434360874727558
Energy: 1.5524434098033817
Energy: 1.3427336533951757
Energy: 1.3143562308111363
Energy: 1.4359825089139624
Energy: 1.3404160064362525
Energy: 1.3317294699573903
Energy: 1.4108073677064508
Energy: 1.498275912804933
Energy: 1.315610460086916
Energy: 1.4651136162556169
Energy: 1.3430787413888192
Energy: 1.3398534795955324
Energy: 1.3409118146929797
Energy: 1.4676071066211938
Energy: 1.340376183675013
Energy: 1.4320109669862506
Energy: 1.4221738219186326
Energy: 1.3435223897581343
Energy: 1.3744449834935712
Energy: 1.4317651594985192
Energy: 1.347222290912745
Energy: 1.351083880940698
Energy: 1.4513974577462025
Energy: 1.3546601692723963
Energy: 1.3722336678825708
Energy: 1.3484219298002118
Energy: 1.3487024847265594
Energy: 1.3523331461974901
Energy: 1.4511197385587595
Energy: 1.3226703881541777
Energy: 1.3499378765692456
Energy: 1.3489022638818404
Energy: 1.3400968144169132
Energy: 1.373579047838847
Energy: 1.4217432555585476
Energy: 1.4277111646842588
Energy: 1.4221776706355442
Energy: 1.431160657541554
Energy: 1.3401416473249372
Energy: 1.465262157135757
Energy: 1.3415429354014865
Energy: 1.3396469293711122
Energy: 1.4655408248636412
Energy: 1.4670806178408748
Energy: 1.3306364921990101
Energy: 1.4429649584339255
Energy: 1.3433097772448959
Energy: 1.3328167113990972
Energy: 1.3410970301310257
Energy: 1.762343593974976
Energy: 1.3393811518517225
Energy: 1.342517071594847
Energy: 1.5540024043400331
Energy: 1.33629330153965
Energy: 1.569936598262173
Energy: 1.3413982024720872
Energy: 1.3325601673653333
Energy: 1.3969089767685188
Energy: 1.427775350558733
Energy: 1.3982216956954756
Energy: 1.3603582531503537
Energy: 1.335833816164528
Energy: 1.3467762130078345
Energy: 1.5690245890003864
Energy: 1.4091522124349307
Energy: 1.334245656395985
Energy: 1.3595020125524315
Energy: 1.504557819314484

minimum gb energy = 1.3134256376579716 eV
minimum distance =  2.21514894839505 Angstroms
sigma value = 19


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

Energy: 1.5826844032176726
Energy: 1.36642330127784
Energy: 1.3665429405128606
Energy: 1.365212207381861
Energy: 1.3663893483125586
Energy: 1.289832961467443
Energy: 1.2776770670767545
Energy: 1.4327693816477858
Energy: 1.3373440972272357
Energy: 1.2829799963302753
Energy: 1.5927140522666872
Energy: 1.3354597525191456
Energy: 1.2710277790126836
Energy: 1.3205528254901817
Energy: 1.5215148575704083
Energy: 1.529482666627753
Energy: 1.3205851487614602
Energy: 1.3223856240631033
Energy: 1.2750524383049224
Energy: 1.4986133120566902
Energy: 1.382610184302026
Energy: 1.2830317978694208
Energy: 1.447099991784182
Energy: 1.3233841863231781
Energy: 1.2564443754942545
Energy: 1.3842285178557971
Energy: 1.326710101488613
Energy: 1.3225680051094812
Energy: 1.32694209590277
Energy: 1.455680116412228
Energy: 1.2747069272055986
Energy: 1.384810335509106
Energy: 1.3694332991644964
Energy: 1.2753865144752319
Energy: 1.3695508671430574
Energy: 1.2746850100449336
Energy: 1.2831353395905118
Energy: 1.333498578125302
Energy: 1.3343345310854753
Energy: 1.3358742979101377
Energy: 1.3332508114197412
Energy: 1.3341142251227172
Energy: 1.2828466565633045
Energy: 1.3347636339728932
Energy: 1.4653517015834372
Energy: 1.2749714388541697
Energy: 1.334746613768907
Energy: 1.3346436784913465
Energy: 1.2791181932562545
Energy: 1.326724590769863
Energy: 1.384861396405168
Energy: 1.2754765638406804
Energy: 1.3264503569849915
Energy: 1.3270676513102848
Energy: 1.2832179303425089
Energy: 1.4013913613970317
Energy: 1.4478984945918107
Energy: 1.2746207178634195
Energy: 1.4472942107298494
Energy: 1.3341838618320396
Energy: 1.266556546065165
Energy: 1.3207619417318688
Energy: 1.3217388352362123
Energy: 1.3227677976115222
Energy: 1.3249387000727153
Energy: 1.498803613479452
Energy: 1.2834682098163945
Energy: 1.6029109683305394
Energy: 1.3949143678542828
Energy: 1.271921605498075
Energy: 1.335781468190591
Energy: 1.5942083651037742
Energy: 1.282791705031525
Energy: 1.2841963230412647
Energy: 1.4241007504551626
Energy: 1.2771630360865243
Energy: 1.332677319987045
Energy: 1.2849836513207014
Energy: 1.2762827859350507
Energy: 1.3374312919349676
Energy: 1.591840323336004
Energy: 1.2789168574823138
Energy: 1.4397585085234894
Energy: 1.3456740195337054
Energy: 1.273684240662648
Energy: 1.3331380262664076
Energy: 1.3669891867594326
Energy: 1.3644991223855587
Energy: 1.3642719721042118
Energy: 1.5234547702260852
Energy: 1.2566357199368872
Energy: 1.602330529642038
Energy: 1.3359794090255834
Energy: 1.282996883940006
Energy: 1.3346233512105004
Energy: 1.5239603459826632
Energy: 1.2713383084703878
Energy: 1.322075070883059
Energy: 1.5267073857324376
Energy: 1.5248601838781628
Energy: 1.4369314431167801
Energy: 1.3212999247904724
Energy: 1.2747169603649247
Energy: 1.3210962898192995
Energy: 1.4991582775834136
Energy: 1.2809129313750152
Energy: 1.5375747822873915
Energy: 1.3233650958424399
Energy: 1.2566736679986614
Energy: 1.3837828160067644
Energy: 1.4006358538310981
Energy: 1.2841072545864067
Energy: 1.3273488966268892
Energy: 1.4532543969610474
Energy: 1.275258030206547
Energy: 1.3695842175680877
Energy: 1.3264440006840756
Energy: 1.2852576117135586
Energy: 1.3690848237046866
Energy: 1.3688973375000375
Energy: 1.2742537541031205
Energy: 1.453710914969825
Energy: 1.3347041663250143
Energy: 1.3364207502529961
Energy: 1.3330429436510578
Energy: 1.3791870882724948
Energy: 1.2832407475761138
Energy: 1.3337724881829796
Energy: 1.3783962472276285
Energy: 1.2744050867257066
Energy: 1.379591088462524
Energy: 1.3342178305145855
Energy: 1.273616141804735
Energy: 1.3266693673452956
Energy: 1.3267185085235378
Energy: 1.274756662762398
Energy: 1.3690491712200397
Energy: 1.3264462737696037
Energy: 1.2826047933270432
Energy: 1.4013812463171964
Energy: 1.4480080781116877
Energy: 1.274797505517883
Energy: 1.4472238781300724
Energy: 1.4016486114978424
Energy: 1.2834437564559595
Energy: 1.4991970135509811
Energy: 1.3230194941657056
Energy: 1.274814569849904
Energy: 1.321383487670665
Energy: 1.4987659512794402
Energy: 1.2668759729016978
Energy: 1.4315756095036956
Energy: 1.3223154415309444
Energy: 1.2725745724053172
Energy: 1.3215906163986648
Energy: 1.6058372393130635
Energy: 1.2832593915063102
Energy: 1.3353536876196284
Energy: 1.6019446821782473
Energy: 1.3090365521874237
Energy: 1.4402760308868447
Energy: 1.283225170343337
Energy: 1.2710717253639645
Energy: 1.3452191170563506
Energy: 1.424292864038209
Energy: 1.2776001762613394
Energy: 1.3336523529855133
Energy: 1.2736868064811653
Energy: 1.2739636603587827
Energy: 1.6063653992410418
Energy: 1.3957846355708343
Energy: 1.364265218839747
Energy: 1.3968245932935082
Energy: 1.5224062678034784

minimum gb energy = 1.2564443754942545 eV
minimum distance =  2.22704335714882 Angstroms
sigma value = 101


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

Energy: 1.4627058059269997
Energy: 1.3049849802979803
Energy: 1.3039499353529949
Energy: 1.3301480615642598
Energy: 1.3269027848596082
Energy: 1.5682063863796447
Energy: 1.2140403771963229
Energy: 1.4212091792269983
Energy: 1.2110955205702048
Energy: 1.2394093503914185
Energy: 1.6002971061457663
Energy: 1.211817762730965
Energy: 1.2217321209879066
Energy: 1.2333580059790508
Energy: 1.5415693355545996
Energy: 1.5425272551265878
Energy: 1.296368250268493
Energy: 1.2225561065759531
Energy: 1.233770620938148
Energy: 1.5500050044990967
Energy: 1.3776498953847893
Energy: 1.2121066400824672
Energy: 1.457337904541525
Energy: 1.3162847448163302
Energy: 1.2067599112346912
Energy: 1.3816645594663177
Energy: 1.3069021779266017
Energy: 1.2169347639210668
Energy: 1.3081289680125368
Energy: 1.3779271368853254
Energy: 1.2334990163185833
Energy: 1.3359282634144007
Energy: 1.3092821279642894
Energy: 1.2107595533026139
Energy: 1.307838801617719
Energy: 1.2370874854813836
Energy: 1.233743510703463
Energy: 1.2839769686514717
Energy: 1.3362452869939143
Energy: 1.342947001326519
Energy: 1.3534845630376517
Energy: 1.283697508329267
Energy: 1.2212608330351256
Energy: 1.2852663546529648
Energy: 1.210633158439697
Energy: 1.2116197118298984
Energy: 1.2848964445812348
Energy: 1.2840687256547432
Energy: 1.2520960531898213
Energy: 1.2853263386480476
Energy: 1.3357433055344663
Energy: 1.238873934761857
Energy: 1.302529218816089
Energy: 1.283981690280261
Energy: 1.2339238484620116
Energy: 1.4037629807952865
Energy: 1.336124873427613
Energy: 1.2124005272405083
Energy: 1.336013475208276
Energy: 1.3121444077482989
Energy: 1.232811146039006
Energy: 1.3046861821502966
Energy: 1.2478172631414854
Energy: 1.2459345563909119
Energy: 1.3083520634150616
Energy: 1.4621551836498006
Energy: 1.2335862410394904
Energy: 1.456932947288068
Energy: 1.4476202834979837
Energy: 1.2149575215597335
Energy: 1.4500314551354412
Energy: 1.4608814106114876
Energy: 1.2348250848186828
Energy: 1.3021043392176492
Energy: 1.2963181669674066
Energy: 1.2308391671669645
Energy: 1.3018532169320172
Energy: 1.2353120088250502
Energy: 1.2145961055375922
Energy: 1.3091917421783956
Energy: 1.6029803004755507
Energy: 1.2299692940507836
Energy: 1.614763159644135
Energy: 1.3775242036277033
Energy: 1.2362290994191982
Energy: 1.2115143127507448
Energy: 1.213455602332336
Energy: 1.2387386129956024
Energy: 1.2133034730899883
Energy: 1.413817727502057
Energy: 1.2437567558712044
Energy: 1.599586174952171
Energy: 1.373102698119858
Energy: 1.213752607591142
Energy: 1.3991049659854855
Energy: 1.2766917680748635
Energy: 1.3048151378241701
Energy: 1.2157718257033379
Energy: 1.2551411747204761
Energy: 1.5396103274621165
Energy: 1.2168969503462395
Energy: 1.21950804607131
Energy: 1.2384470975210904
Energy: 1.4017562768720024
Energy: 1.5990067342503786
Energy: 1.20929656280821
Energy: 1.6141483449691918
Energy: 1.2116919821204926
Energy: 1.2516623650156267
Energy: 1.4921389291050755
Energy: 1.279228010108276
Energy: 1.2196821438130432
Energy: 1.2794209697523558
Energy: 1.5436057180658505
Energy: 1.2527599266312917
Energy: 1.518571791509194
Energy: 1.3040382805802964
Energy: 1.2340726036269491
Energy: 1.2955528510813148
Energy: 1.3781223956726991
Energy: 1.2107050152527032
Energy: 1.3780036468218295
Energy: 1.4631456428546004
Energy: 1.3767303634908494
Energy: 1.4465222150844723
Energy: 1.3715399991606378
Energy: 1.211872506685391
Energy: 1.3089087426071706
Energy: 1.3643838906133592
Energy: 1.2332939554047768
Energy: 1.3082743629702918
Energy: 1.246589674471727
Energy: 1.2390774691681241
Energy: 1.3354434875949124
Energy: 1.3487644528558582
Energy: 1.2211711405352577
Energy: 1.3491829810590923
Energy: 1.3418444991259078
Energy: 1.2124330259804545
Energy: 1.304416076298048
Energy: 1.2835164739689287
Energy: 1.2351951046926513
Energy: 1.285026763069805
Energy: 1.3278180066888123
Energy: 1.211339051814602
Energy: 1.3038209013493578
Energy: 1.2836591081293551
Energy: 1.2847016113042138
Energy: 1.2835428447111072
Energy: 1.3046396801926063
Energy: 1.238515625511261
Energy: 1.335425445893201
Energy: 1.4032592712794265
Energy: 1.2351546240640865
Energy: 1.41137317658666
Energy: 1.3375054441006982
Energy: 1.2115524806237536
Energy: 1.3083727684340194
Energy: 1.3090161795073898
Energy: 1.2330321512162128
Energy: 1.3079445836205226
Energy: 1.2471397496009433
Energy: 1.2461834945947718
Energy: 1.3084365265227764
Energy: 1.4593811450653322
Energy: 1.2337843215896864
Energy: 1.4594739495322866
Energy: 1.2478245836697932
Energy: 1.2300510562795124
Energy: 1.5177158082610012
Energy: 1.3018412283004506
Energy: 1.2351500794698729
Energy: 1.231717732216132
Energy: 1.5170557576814232
Energy: 1.2301839394926024
Energy: 1.3031389554704598
Energy: 1.215459495256264
Energy: 1.2155796687849376
Energy: 1.278575428633656
Energy: 1.6116567175904741
Energy: 1.2389223801914824
Energy: 1.2111820961665791
Energy: 1.6164596694186686
Energy: 1.2425966813786768
Energy: 1.2120105362160811
Energy: 1.2121028731727344
Energy: 1.2145477776141242
Energy: 1.3098731060795368
Energy: 1.6116243026332158
Energy: 1.2430436676501708
Energy: 1.2121361546234468
Energy: 1.2146732651087286
Energy: 1.252501547661159
Energy: 1.2115374318982917
Energy: 1.2797973722092022
Energy: 1.3045599230569762
Energy: 1.285606287395219
Energy: 1.543353798565644

minimum gb energy = 1.2067599112346912 eV
minimum distance =  2.21980814596828 Angstroms
sigma value = 33


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

Energy: 0.014418336621749033
Energy: 0.09402370491547526
Energy: 0.09047427069083036
Energy: 0.09021225380019025
Energy: 0.09191371449400514
Energy: 0.015113193956370528
Energy: 0.10389732144055853
Energy: 0.1048953085833155
Energy: 0.10476059190178111
Energy: 0.10597128079008769
Energy: 0.10394348686179607
Energy: 0.10539299753729352
Energy: 0.8613574525724516
Energy: 0.09389608526913829
Energy: 0.015066676487098425
Energy: 0.016571441740191692
Energy: 0.09185455531750907
Energy: 0.09014069162363103
Energy: 0.014552692013795988
Energy: 0.1048953085833155
Energy: 0.10476059190178111
Energy: 0.10597128079008769
Energy: 0.10394348686179607
Energy: 0.10539299753800441

minimum gb energy = 0.014418336621749033 eV
minimum distance =  2.44470011587488 Angstroms
sigma value = 1