Model name: model_name=EAM_Dynamo_AcklandMendelevSrolovitz_2004_FeP__MO_884343146310_005
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=2.855312779545784
cohesive_energy=4.013297914062382
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=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -1.0020108799634038e-16, -3.0671268392978995e-16]
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: 0.012404569337746545
Energy: 0.2147236773976054
Energy: 0.21417531697542525
Energy: 0.2142539837150156
Energy: 0.2155119680523919
Energy: 0.012481173195773073
Energy: 0.2147236773976054
Energy: 0.9399703519805148
Energy: 0.9405661472955661
Energy: 0.21418315175969418
Energy: 0.9400755799461976
Energy: 0.21419297812068877
Energy: 0.21417534158988313
Energy: 0.9405661472936112
Energy: 0.9404729877759139
Energy: 0.012996685564446513
Energy: 0.21421652267241467
Energy: 0.9405781259158302
Energy: 0.21425398371892537
Energy: 0.21418315228195683
Energy: 0.01299668556492127
Energy: 0.012537386359288106
Energy: 0.21449648236176894
Energy: 0.21428503091076792
Energy: 0.21551196805188924
Energy: 0.9400755799771406
Energy: 0.21421652267191202
Energy: 0.21449648236028881
Energy: 0.9400848447190802
Energy: 0.21422399391424454
Energy: 0.012481173196247832
Energy: 0.21419297812021398
Energy: 0.9405781259153276
Energy: 0.21428503306709462
Energy: 0.2142239936420681
Energy: 0.012536497005445216

minimum gb energy = 0.012404569337746545 eV
minimum distance =  2.47141360303623 Angstroms
sigma value = 1


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

Energy: 1.8327237024182557
Energy: 1.250165989949108
Energy: 1.3349945566336425
Energy: 1.241046251346343
Energy: 1.2466845599565586
Energy: 1.2731109396602585
Energy: 1.21681243946301
Energy: 1.325941188278073
Energy: 1.2124489792303585
Energy: 1.2145836256443985
Energy: 1.211647734684637
Energy: 1.2132676717354445
Energy: 1.145947798035147
Energy: 1.2089993322133585
Energy: 1.2128333089748755
Energy: 1.2760006065482472
Energy: 1.210027200659031
Energy: 1.2229489571372152
Energy: 1.2082776301426787
Energy: 1.2108652097200727
Energy: 1.3007814429782258
Energy: 1.4206568582757906
Energy: 1.20625329821075
Energy: 1.2128819584660093
Energy: 1.2509760327685888
Energy: 1.2142480794774435
Energy: 1.3200974548392757
Energy: 1.2121742590439
Energy: 1.310293814079952
Energy: 1.289088774522081
Energy: 1.2816699483886036
Energy: 1.3022304975225347
Energy: 1.3816265023334715
Energy: 1.2158989440962515
Energy: 1.299537905505281
Energy: 1.2989945675818466
Energy: 1.2879816143720648
Energy: 1.3004384210001
Energy: 1.2990609052574433
Energy: 1.332648110692762
Energy: 1.3001524797771342
Energy: 1.3015144991666392
Energy: 1.1662042995070805
Energy: 1.1659567082267623
Energy: 1.2147078730287775
Energy: 1.1417537364859276
Energy: 1.381855110767972
Energy: 1.1680900606108076
Energy: 1.1272192901921512
Energy: 1.3022668474987822
Energy: 1.3014209665914953
Energy: 1.2140730303354559
Energy: 1.301424987752173
Energy: 1.3001598044251041
Energy: 1.1319707469907254
Energy: 1.3042518246009012
Energy: 1.353332740536214
Energy: 1.2159896002208779
Energy: 1.3001844899939246
Energy: 1.3142515692518708
Energy: 1.251953700703229
Energy: 1.168326340232446
Energy: 1.31366327033094
Energy: 1.2364911359582345
Energy: 1.2196506310814557
Energy: 1.1662566933297813
Energy: 1.2073744218763696
Energy: 1.2262385297973324
Energy: 1.2793921100749766
Energy: 1.1272461845663122
Energy: 1.2152572052407407
Energy: 1.2089671837338438
Energy: 1.2134495332656476
Energy: 1.2107625905918549
Energy: 1.2654297515819664
Energy: 1.3386402178829122
Energy: 1.210781971210785
Energy: 1.2808406539167798
Energy: 1.216978867708889
Energy: 1.3173147204424027
Energy: 1.2177252322883123
Energy: 1.1436613471581478
Energy: 1.2158495734339314
Energy: 1.3131646341757799
Energy: 1.1403998051098578
Energy: 1.2066544498661456
Energy: 1.210239529995353
Energy: 1.2156633830345633
Energy: 1.2075786200435021
Energy: 1.2994523169127623
Energy: 1.1412629529159235
Energy: 1.216412033086376
Energy: 1.2133803684019608
Energy: 1.20914945820176
Energy: 1.2073035620902919
Energy: 1.3141167455243818
Energy: 1.2123496743538822
Energy: 1.2168993972940512
Energy: 1.2589720873297712
Energy: 1.2552851671889436
Energy: 1.3043013633895055
Energy: 1.2112407328743748
Energy: 1.2124021911369294
Energy: 1.301874864567919
Energy: 1.3040576144311626
Energy: 1.2996818244487522
Energy: 1.3036324196779108
Energy: 1.3844342269512906
Energy: 1.21619852050325
Energy: 1.3041379495763072
Energy: 1.3715050434055924
Energy: 1.2596285689650517
Energy: 1.3061660461652207
Energy: 1.3341840822225177
Energy: 1.2356968797184824
Energy: 1.2995804387454257
Energy: 1.2562950951543266
Energy: 1.253764016331268
Energy: 1.2996504155851307
Energy: 1.3795284547842908
Energy: 1.2127634372398182
Energy: 1.299354194927452
Energy: 1.3153451484997456
Energy: 1.3153139357414627
Energy: 1.3015205302103785
Energy: 1.3011753653320415
Energy: 1.1437689862116922
Energy: 1.2987679460247266
Energy: 1.305635649399208
Energy: 1.1303224952349176
Energy: 1.3050661632390526
Energy: 1.21498254951277
Energy: 1.1281419519394562
Energy: 1.3301519771004706
Energy: 1.298773550140538
Energy: 1.2118729726479225
Energy: 1.2102539297276511
Energy: 1.3449310406430137

minimum gb energy = 1.1272192901921512 eV
minimum distance =  2.20227404767892 Angstroms
sigma value = 33


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

Energy: 2.4620234975533104
Energy: 1.2335837062614157
Energy: 1.3459299331297896
Energy: 1.2674453635078533
Energy: 1.2332527988374047
Energy: 1.3439079597804653
Energy: 1.3895899422836087
Energy: 1.5137961412008758
Energy: 1.2350091251848891
Energy: 1.2460603536636252
Energy: 1.2320792339149633
Energy: 1.3387051239467211
Energy: 1.369472318964463
Energy: 1.339409409355342
Energy: 1.3146999481295905
Energy: 1.3358031135287494
Energy: 1.3174576972737706
Energy: 1.4090445976462074
Energy: 1.3271873611417346
Energy: 1.3183010525527055
Energy: 1.3156838935644626
Energy: 1.4883412984730986
Energy: 1.316487917254703
Energy: 1.3245010299037472
Energy: 1.3514044929257245
Energy: 1.3611347355012153
Energy: 1.3512600230602123
Energy: 1.4185666267907022
Energy: 1.5264077953369066
Energy: 1.3640542415318795
Energy: 1.2462869779420893
Energy: 1.4269151497894226
Energy: 1.3829031628715196
Energy: 1.2463480356002878
Energy: 1.3840046038730933
Energy: 1.386492883829175
Energy: 1.246775798134931
Energy: 1.383565016778097
Energy: 1.3828097360700213
Energy: 1.483329086001379
Energy: 1.3878228889285862
Energy: 1.414266390250025
Energy: 1.2466010636621603
Energy: 1.2367372732894997
Energy: 1.3397827931345894
Energy: 1.3170203197658676
Energy: 1.3816242230528626
Energy: 1.2477158472573209
Energy: 1.3989011892796923
Energy: 1.3214088039409915
Energy: 1.3107446920407608
Energy: 1.3261809108861278
Energy: 1.316139775546104
Energy: 1.5031088959775867
Energy: 1.2234778891404245
Energy: 1.3128368001486552
Energy: 1.370875964765877
Energy: 1.3847053020657227
Energy: 1.3152853449655046
Energy: 1.3350155737158298
Energy: 1.265283371111148
Energy: 1.244998494823212
Energy: 1.315051355426481
Energy: 1.3300975655934502
Energy: 1.321245712320175
Energy: 1.2417083887833078
Energy: 1.247506897670361
Energy: 1.2494339837678667
Energy: 1.2383620885725508
Energy: 1.335986357972816
Energy: 1.2349216439577533
Energy: 1.265145639993502
Energy: 1.2280811991842682
Energy: 1.2350378486285725
Energy: 1.2387276727141576
Energy: 1.269159889953627
Energy: 1.2429676183720093
Energy: 1.2242179450806474
Energy: 1.2526140794221972
Energy: 1.406056801820502
Energy: 1.3266262318048776
Energy: 1.3271923901031457
Energy: 1.3245180294084966
Energy: 1.2498298518792637
Energy: 1.215459381726323
Energy: 1.3684466880267057
Energy: 1.4254712004116337
Energy: 1.3888167439478238
Energy: 1.3681842999036986
Energy: 1.367837513325853
Energy: 1.336860618847472
Energy: 1.3691397674700636
Energy: 1.3929950205490387
Energy: 1.4115558265174422
Energy: 1.3670515190461068
Energy: 1.477225588260509
Energy: 1.3057135443172514
Energy: 1.2741847275548244
Energy: 1.3749112485128747
Energy: 1.28814969846446
Energy: 1.382737044226672
Energy: 1.2868617628620387
Energy: 1.2624096167218901
Energy: 1.3609018725782944
Energy: 1.3567582486232341
Energy: 1.458685935088198
Energy: 1.3599679084907814
Energy: 1.3728309290347251
Energy: 1.2199452790235732
Energy: 1.3598047680699834
Energy: 1.3922794314245568
Energy: 1.296794138323974
Energy: 1.3580462499334
Energy: 1.3598855068013087
Energy: 1.2742671345518348
Energy: 1.26792031657039
Energy: 1.307023504739689
Energy: 1.4632163930133892
Energy: 1.6586006796916086
Energy: 1.263482653853466
Energy: 1.265618258652918
Energy: 1.2772918732554048
Energy: 1.269207361734432
Energy: 1.5090139218463545
Energy: 1.2708995850457983
Energy: 1.2828016487884626
Energy: 1.2893391018778495
Energy: 1.2705400376777114
Energy: 1.2721306034014783
Energy: 1.2799786756126328
Energy: 1.2668561435994534
Energy: 1.3232507199252155
Energy: 1.3956039314285538
Energy: 1.594152331655093
Energy: 1.2740646246024259
Energy: 1.2966294400388472
Energy: 1.3065424835473798
Energy: 1.3329428886513133
Energy: 1.2693013096461525
Energy: 1.3143760234490685
Energy: 1.356484634840911
Energy: 1.3288530216761463
Energy: 1.307269574154291
Energy: 1.3627549993594823
Energy: 1.3959032435031244
Energy: 1.59299038148657
Energy: 1.3411572387126212
Energy: 1.2685144021724113
Energy: 1.3139883019988194
Energy: 1.3359667178024337
Energy: 1.3215501647413166
Energy: 1.418672324235789
Energy: 1.406950259156422
Energy: 1.2513588244696183
Energy: 1.3996048694995953
Energy: 1.3477956338426742
Energy: 1.2723671952723148
Energy: 1.3800535455744722
Energy: 1.4053144005505205
Energy: 1.4510091260904283
Energy: 1.3856160524154082
Energy: 1.3819530188370954
Energy: 1.3222165442154563
Energy: 1.3818610104154163
Energy: 1.2448833863891944
Energy: 1.250867359342595
Energy: 1.3827192783840943
Energy: 1.405051149516917
Energy: 1.3305656344789956
Energy: 1.3103899201880451
Energy: 1.5371035908482156
Energy: 1.3992047800718685
Energy: 1.315722311045092
Energy: 1.391235415939073
Energy: 1.343444990511373
Energy: 1.337490895298272
Energy: 1.3299230855062865
Energy: 1.432741689682857
Energy: 1.3159502476856328
Energy: 1.4041520641878111
Energy: 1.3370420388721256
Energy: 1.320096139062008
Energy: 1.3568753722797138
Energy: 1.2605068674149493
Energy: 1.4591797507385182
Energy: 1.3657442860138391
Energy: 1.4561633515625134
Energy: 1.2407891869597485
Energy: 1.24604289158468
Energy: 1.2509960218119052
Energy: 1.2351279183289008
Energy: 1.6348292690205815
Energy: 1.3273847530689005
Energy: 1.2407656849096647
Energy: 1.2282935562966075
Energy: 1.2244473878631574
Energy: 1.2382749759782117
Energy: 1.292776434818928
Energy: 1.3862753112623452
Energy: 1.3213270219163824
Energy: 1.2646027361096823
Energy: 1.2501747659312283
Energy: 1.2392753355763375
Energy: 1.32687483010971
Energy: 1.3547908317662634
Energy: 1.4290936822385916
Energy: 1.3673041991983705
Energy: 1.2117880326735224
Energy: 1.3677242781441732
Energy: 1.488391337501698
Energy: 1.3482990053469597
Energy: 1.3672670091953398
Energy: 1.36737330182446
Energy: 1.2744039539382863
Energy: 1.367714585399902
Energy: 1.3955699682531497
Energy: 1.3476454926690722
Energy: 1.4633523936668174
Energy: 1.218077727250533
Energy: 1.2178230755629025
Energy: 1.2918975735875475
Energy: 1.3370137021888149
Energy: 1.3490369909732716
Energy: 1.3696575366644492
Energy: 1.3665484576463187
Energy: 1.2214406932969095
Energy: 1.3664468530510725
Energy: 1.4480772238213835
Energy: 1.350960120277417
Energy: 1.382733807738803
Energy: 1.369277529586193
Energy: 1.2223397786748504
Energy: 1.3680126696597839
Energy: 1.4843621084184415
Energy: 1.3883748285710797
Energy: 1.315696471425929
Energy: 1.2224499836915055
Energy: 1.2235949569600404
Energy: 1.223504356720596
Energy: 1.3342237346600854
Energy: 1.2095983073553085
Energy: 1.2312546170433916
Energy: 1.234532201850066
Energy: 1.2213259530369955
Energy: 1.2490477788614598
Energy: 1.3347580431707171

minimum gb energy = 1.2095983073553085 eV
minimum distance =  2.18824858034277 Angstroms
sigma value = 51


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

Energy: 2.4497130361761905
Energy: 1.358576272136026
Energy: 1.515333703077345
Energy: 1.4541277423257275
Energy: 1.4179038620366406
Energy: 1.3615070079514418
Energy: 1.387801745614103
Energy: 1.5047320827604362
Energy: 1.3557261977645145
Energy: 1.4370500731636058
Energy: 1.411986304662123
Energy: 1.4055788899739665
Energy: 1.2205496216467548
Energy: 1.3679600589657859
Energy: 1.3726375488542581
Energy: 1.4556434372258045
Energy: 1.3782225223410236
Energy: 1.3572158895835913
Energy: 1.3489297339340636
Energy: 1.3717813027989292
Energy: 1.3698370675671232
Energy: 1.4014174590423747
Energy: 1.3689662590977199
Energy: 1.360387229684257
Energy: 1.2601005096052305
Energy: 1.3645943459314573
Energy: 1.471855012702544
Energy: 1.456426891309197
Energy: 1.501155574530386
Energy: 1.3917572743921582
Energy: 1.2194254034573928
Energy: 1.4515070177662563
Energy: 1.6242975907622896
Energy: 1.4394463743099422
Energy: 1.4647088387359137
Energy: 1.4654060954439905
Energy: 1.1741764296255477
Energy: 1.4458843647393294
Energy: 1.4400334840858846
Energy: 1.6514715281336902
Energy: 1.4435628832411833
Energy: 1.4680767624223194
Energy: 1.2995282036547362
Energy: 1.1730227598044292
Energy: 1.5727734248929737
Energy: 1.4006354161687857
Energy: 1.563150673085138
Energy: 1.1724759776909992
Energy: 1.200128507579417
Energy: 1.3625235509482063
Energy: 1.3646611145596443
Energy: 1.507236551538302
Energy: 1.3616388006191915
Energy: 1.3631102485662419
Energy: 1.1731233297813994
Energy: 1.3628322375392603
Energy: 1.5200273041360501
Energy: 1.5503380334845862
Energy: 1.3624951825738558
Energy: 1.3617775634671903
Energy: 1.1728586560056584
Energy: 1.1735358575670418
Energy: 1.3626571717130669
Energy: 1.5417596836856624
Energy: 1.3654932968129785
Energy: 1.1729442333285474
Energy: 1.1707441473105828
Energy: 1.342735231957596
Energy: 1.3438048255472752
Energy: 1.3439206843779654
Energy: 1.3400390753087954
Energy: 1.1710473374614112
Energy: 1.2099732257736706
Energy: 1.3430342098464572
Energy: 1.3862233974387803
Energy: 1.3429696168080376
Energy: 1.3404213771212259
Energy: 1.347455946492192
Energy: 1.2104002049305207
Energy: 1.3650799938076432
Energy: 1.4597081251243815
Energy: 1.4466048126281055
Energy: 1.531651824018842
Energy: 1.211906785485921
Energy: 1.4223296191904289
Energy: 1.4757092300379882
Energy: 1.5648231729252502
Energy: 1.4948094113431716
Energy: 1.4644623684838338
Energy: 1.4753285914866812
Energy: 1.2200935087210805
Energy: 1.485396979365987
Energy: 1.463669189425355
Energy: 1.451993523764569
Energy: 1.463782033265105
Energy: 1.4827357919189303
Energy: 1.2100926884256387
Energy: 1.395854407158445
Energy: 1.4971463867346735
Energy: 1.4485042525547718
Energy: 1.4162946881700547
Energy: 1.394556208982562
Energy: 1.3273606578691628
Energy: 1.3567591928206846
Energy: 1.3569696868503365
Energy: 1.3925394535583178
Energy: 1.363526369952969
Energy: 1.3434183461303184

minimum gb energy = 1.1707441473105828 eV
minimum distance =  2.18597132581375 Angstroms
sigma value = 19


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

Energy: 2.0214960132890316
Energy: 1.3115265714848976
Energy: 1.4425033316994416
Energy: 1.4362751347912637
Energy: 1.313905919142941
Energy: 1.3889948074173757
Energy: 1.3822738996066926
Energy: 1.5027156124819652
Energy: 1.311989999301525
Energy: 1.3552880828626914
Energy: 1.3760239486225738
Energy: 1.4975649816249152
Energy: 1.4568044010798973
Energy: 1.4284998251082717
Energy: 1.4860822667314924
Energy: 1.3505841389162725
Energy: 1.43077132298519
Energy: 1.5075944651267905
Energy: 1.499349931418753
Energy: 1.429471374439304
Energy: 1.4314691335430803
Energy: 1.5007711676778637
Energy: 1.4333883495621869
Energy: 1.5040314726792594
Energy: 1.5082387582885655
Energy: 1.446920958886263
Energy: 1.5019888182108099
Energy: 1.350299076335575
Energy: 1.5417767753563243
Energy: 1.5482356941889486
Energy: 1.497722599574372
Energy: 1.4490398845344257
Energy: 1.510194195465271
Energy: 1.2955077406338906
Energy: 1.48647603712708
Energy: 1.497433222775043
Energy: 1.5356501660060082
Energy: 1.456672857774035
Energy: 1.473529331211759
Energy: 1.4759812380271948
Energy: 1.4330921003245172
Energy: 1.541938770603505
Energy: 1.4538432242366062
Energy: 1.4296551414650378
Energy: 1.4946783411237232
Energy: 1.3504583236037713
Energy: 1.486115975545072
Energy: 1.4596283617371981
Energy: 1.3452027163502212
Energy: 1.3760054850777987
Energy: 1.311217214499315
Energy: 1.3518289847736105
Energy: 1.3172454322860314
Energy: 1.4966392600285627
Energy: 1.3555585074823095
Energy: 1.313151277590366
Energy: 1.3113832628299997
Energy: 1.3183720550669455
Energy: 1.3113123780681202
Energy: 1.4342943854722872
Energy: 1.3826848881972542
Energy: 1.4906068877089067
Energy: 1.3762552118199496
Energy: 1.3610440577839058
Energy: 1.3760488540188152
Energy: 1.5663830007081463
Energy: 1.4567636442824345
Energy: 1.5236822321696208
Energy: 1.48362770292361
Energy: 1.4984661556943677
Energy: 1.4792216142676604
Energy: 1.5398188035681013
Energy: 1.5790110291174921
Energy: 1.4855687299775326
Energy: 1.5115666003717778
Energy: 1.4984581889169397
Energy: 1.4913704224087665
Energy: 1.548889362748987
Energy: 1.384154700828046
Energy: 1.4873308731843715
Energy: 1.429034776844591
Energy: 1.4115166425914671
Energy: 1.4899442745861708
Energy: 1.5001443230719589
Energy: 1.317589558662336
Energy: 1.3112184454491231
Energy: 1.4523106389411575
Energy: 1.414937861928543
Energy: 1.377413313268485
Energy: 1.366807470594736
Energy: 1.358075838716746
Energy: 1.311113862006629
Energy: 1.3717962922693274
Energy: 1.299798569268911
Energy: 1.3118891012229301
Energy: 1.3573244695020057
Energy: 1.295614117868854
Energy: 1.3773119324642953
Energy: 1.490197603332129
Energy: 1.382500498930625
Energy: 1.4896223826296795
Energy: 1.3113615867219712
Energy: 1.4680894792572392
Energy: 1.4319679114053656
Energy: 1.5069765774073014
Energy: 1.5198092190882817
Energy: 1.4295846029532557
Energy: 1.4308613494657423
Energy: 1.4663879371712756
Energy: 1.4314275486918118
Energy: 1.428792249500752
Energy: 1.4971715626588376
Energy: 1.4288560324617712
Energy: 1.4868697005505789
Energy: 1.349584202039759
Energy: 1.4930394835429563
Energy: 1.4493730195006875
Energy: 1.4908439292097688
Energy: 1.4911103831585497
Energy: 1.3755485385967594
Energy: 1.3463397998091418
Energy: 1.4864518379587353
Energy: 1.475215973899358
Energy: 1.4957115852670413
Energy: 1.4308059706246659
Energy: 1.5099454397575218
Energy: 1.2316568642277779
Energy: 1.4312485621661533
Energy: 1.4556470694621766
Energy: 1.5444619931269736
Energy: 1.4588190790093676
Energy: 1.4751916889688832
Energy: 1.2954633261104516
Energy: 1.4398125722690966
Energy: 1.5287000698373145
Energy: 1.3832654045314912
Energy: 1.488187754116677
Energy: 1.3759489985688969
Energy: 1.3552292812384907
Energy: 1.310354104874994
Energy: 1.435989563940394
Energy: 1.3460652255623888
Energy: 1.3115250878848952
Energy: 1.3562227065328145
Energy: 1.3194463803921483
Energy: 1.3132755923112414
Energy: 1.3761068601238868
Energy: 1.3467940738440065
Energy: 1.3110519867331278
Energy: 1.3119836682826456
Energy: 1.373573969865497
Energy: 1.5099407022853117
Energy: 1.526034857884521
Energy: 1.3827327169791768
Energy: 1.4872949347921283
Energy: 1.3781861637745034
Energy: 1.4937945556644552
Energy: 1.4795267459741335
Energy: 1.479648996067528
Energy: 1.4985951134914497
Energy: 1.4799346591161453
Energy: 1.4850838423958461
Energy: 1.4559031857298463
Energy: 1.4789007206346214
Energy: 1.4890603715112884
Energy: 1.5818771519745947
Energy: 1.4730136502602311
Energy: 1.5076010011738104
Energy: 1.3833002794079807
Energy: 1.4895037870087873
Energy: 1.4179709269822094
Energy: 1.3839867516448545
Energy: 1.5036124059198592
Energy: 1.4289858107779674
Energy: 1.2294469082151638
Energy: 1.3108008641202544
Energy: 1.3119373312518994
Energy: 1.3171792154112887
Energy: 1.314241915163488
Energy: 1.3702156911642647

minimum gb energy = 1.2294469082151638 eV
minimum distance =  2.1897201018302 Angstroms
sigma value = 27


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

Energy: 1.6517124938843892
Energy: 1.326565051588997
Energy: 1.504033012218975
Energy: 1.2426424658524144
Energy: 1.4413580465040312
Energy: 1.4007426562251577
Energy: 1.2094264215707162
Energy: 1.3994207386474773
Energy: 1.3862982798985102
Energy: 1.2053731130411327
Energy: 1.3317550788240176
Energy: 1.400064337285351
Energy: 1.2005979476419628
Energy: 1.3521505650639372
Energy: 1.332555660698233
Energy: 1.2079655312834179
Energy: 1.3361939316764468
Energy: 1.38672314037537
Energy: 1.3384685206462101
Energy: 1.3290878849881678
Energy: 1.3324378631913334
Energy: 1.385718072445299
Energy: 1.3330957909240455
Energy: 1.3283234916862892
Energy: 1.2044770492209473
Energy: 1.3232363601746107
Energy: 1.502915233952844
Energy: 1.2100603416175573
Energy: 1.3928106693265057
Energy: 1.3223478030585474
Energy: 1.2410918708840508
Energy: 1.32956307833337
Energy: 1.3943912341721516
Energy: 1.2091727873640505
Energy: 1.3957641161321843
Energy: 1.3285369694085372
Energy: 1.2438700015938917
Energy: 1.4462500223247665
Energy: 1.3737211396390063
Energy: 1.651373764194218
Energy: 1.3315486555691407
Energy: 1.5016011594398742
Energy: 1.2045998176298942
Energy: 1.3859047916839151
Energy: 1.4692160928591813
Energy: 1.2094373944152226
Energy: 1.396943766732835
Energy: 1.3856913433680986
Energy: 1.2079268943608124
Energy: 1.3331995539916053
Energy: 1.3504619338818082
Energy: 1.2103448403089072
Energy: 1.3352416536286824
Energy: 1.3969818502810123
Energy: 1.3541838864433295
Energy: 1.3338742156808583
Energy: 1.3286412699319912
Energy: 1.3887254552095956
Energy: 1.3321817093519706
Energy: 1.333281223556394
Energy: 1.2104351248260266
Energy: 1.3851466037341664
Energy: 1.3252469378363367
Energy: 1.204614277912922
Energy: 1.4675510991068539
Energy: 1.5630914945150154
Energy: 1.3913453141398477
Energy: 1.3857378235006235
Energy: 1.327702397000935
Energy: 1.24107405120928
Energy: 1.3331165942110734
Energy: 1.4741004867298069

minimum gb energy = 1.2005979476419628 eV
minimum distance =  2.21917952757233 Angstroms
sigma value = 9


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

Energy: 1.3680250035626813
Energy: 1.3154826147581304
Energy: 1.2890927315588168
Energy: 1.3928303817742798
Energy: 1.3172015384148579
Energy: 1.460463432332247
Energy: 1.396940720945017
Energy: 1.458623233257115
Energy: 1.315649980467971
Energy: 1.3164991019992573
Energy: 1.3143975863431236
Energy: 1.3891417653570228
Energy: 1.4407675593810492
Energy: 1.5044530216888323
Energy: 1.5009444703738095
Energy: 1.3238885492118826
Energy: 1.4955695461358027
Energy: 1.5599119185116952
Energy: 1.247634419006969
Energy: 1.5015701544623157
Energy: 1.5016751599742175
Energy: 1.317102592822662
Energy: 1.4969809744722888
Energy: 1.5018740165070843
Energy: 1.3646962738275334
Energy: 1.5012697357515599
Energy: 1.5021717562529953
Energy: 1.3912793700950223
Energy: 1.4949295165298788
Energy: 1.5256114193895447
Energy: 1.3590939968015137
Energy: 1.314141100748781
Energy: 1.53843643923462
Energy: 1.394017772405285
Energy: 1.3174203394674342
Energy: 1.3169382345795986
Energy: 1.2913474385997428
Energy: 1.31640041016384
Energy: 1.41632407913338
Energy: 1.4685799170098353
Energy: 1.3148721111268573
Energy: 1.2877760250647894
Energy: 1.275770778792997
Energy: 1.3151616921606215
Energy: 1.5549233312153286
Energy: 1.393298460523248
Energy: 1.3171366209799038
Energy: 1.2772708849894192
Energy: 1.2905635951719632
Energy: 1.4813504815108092
Energy: 1.5388733208622902
Energy: 1.3905903288362325
Energy: 1.469563786320155
Energy: 1.5112342651278377
Energy: 1.290149854794195
Energy: 1.4812997198366453
Energy: 1.468466425969187
Energy: 1.3811438266164524
Energy: 1.4704388718631412
Energy: 1.488795309374709
Energy: 1.3946248456580825
Energy: 1.50695229179439
Energy: 1.467872387706353
Energy: 1.3915355873420525
Energy: 1.468155132184109
Energy: 1.4912844403137566
Energy: 1.3920814092992693
Energy: 1.5619329766254444
Energy: 1.4194597966725067
Energy: 1.390350401539689
Energy: 1.4171843416215992
Energy: 1.3908814185610048
Energy: 1.3671395298347624
Energy: 1.4185039911690278
Energy: 1.4029937087174031
Energy: 1.3381556648233688
Energy: 1.417998060803821
Energy: 1.50894385574157
Energy: 1.3952785644758758
Energy: 1.4190172996998889
Energy: 1.3889047906335308
Energy: 1.3664469010955231
Energy: 1.4170769423927805
Energy: 1.537668206125698
Energy: 1.3965100486603046
Energy: 1.592365880172715
Energy: 1.3980868650621614
Energy: 1.3386795943496332
Energy: 1.4198068467088358
Energy: 1.5149372827058967
Energy: 1.4814540329283827
Energy: 1.417854444762922
Energy: 1.4255357984513413
Energy: 1.3672406893779459
Energy: 1.4176754689663766
Energy: 1.4445731668903394
Energy: 1.3929676580593588
Energy: 1.4177950558266388
Energy: 1.417267761699858
Energy: 1.3888045330321122
Energy: 1.4173424229724478
Energy: 1.4430187391501816
Energy: 1.3934534870199116
Energy: 1.467751752498528
Energy: 1.5370247986415804
Energy: 1.4380699588198482
Energy: 1.4680221787097405
Energy: 1.3174163554608116
Energy: 1.295787481987202
Energy: 1.4898741630517136
Energy: 1.5110157942508673
Energy: 1.4121703961751886
Energy: 1.476305877619216
Energy: 1.5184294237329619
Energy: 1.2909708047094248
Energy: 1.4755975210904777
Energy: 1.4690031109352801
Energy: 1.3925117256586388
Energy: 1.4686926104317106
Energy: 1.4997747403102626
Energy: 1.2867298245299792
Energy: 1.2777634721885798
Energy: 1.5598381083913997
Energy: 1.38825280065615
Energy: 1.53640805190509
Energy: 1.2761961303669986
Energy: 1.2749987030738301
Energy: 1.3138949324026994
Energy: 1.3793047989081144
Energy: 1.3847631206385471
Energy: 1.3140776516564552
Energy: 1.2755157228627005
Energy: 1.3583293629201525
Energy: 1.314190665499443
Energy: 1.4683467605953573
Energy: 1.3858522182737052
Energy: 1.3152922330883146
Energy: 1.3139117979173809
Energy: 1.3614563325678506
Energy: 1.5013497197300234
Energy: 1.5033796580108605
Energy: 1.3893016578439368
Energy: 1.5171523269508702
Energy: 1.3157124869896193
Energy: 1.3610646284137262
Energy: 1.5230689525764693
Energy: 1.5018348363346332
Energy: 1.3197474468882726
Energy: 1.5019467654856458
Energy: 1.555614886452691
Energy: 1.3619392455570973
Energy: 1.501938898627759
Energy: 1.504016302836249
Energy: 1.2398304514478995
Energy: 1.5019622758178872
Energy: 1.5029977445840095
Energy: 1.439162540576043
Energy: 1.4920922868132453
Energy: 1.3147643404461025
Energy: 1.3626395481022124
Energy: 1.3150389253293027
Energy: 1.3914477920406603
Energy: 1.437246902294284
Energy: 1.3140712384481859
Energy: 1.3160264792747185
Energy: 1.3513235850533052
Energy: 1.3163806283104955
Energy: 1.418821105018809
Energy: 1.3905594284693015
Energy: 1.3154110311480909
Energy: 1.3142185760314058
Energy: 1.2718017138700095
Energy: 1.313870165783064
Energy: 1.4139302304059438
Energy: 1.4372565886169795
Energy: 1.5414389209036314
Energy: 1.379752499031285
Energy: 1.2893904947599482
Energy: 1.5084492847796718
Energy: 1.609887130581998
Energy: 1.4875265825055586
Energy: 1.4687624805587227
Energy: 1.4906817107177497
Energy: 1.5262564281771565
Energy: 1.4684497613940997
Energy: 1.4685865993615346
Energy: 1.482132378908668
Energy: 1.4709520039007
Energy: 1.5249483963613013
Energy: 1.2948302688979447
Energy: 1.4816802078032238
Energy: 1.4859186064011594
Energy: 1.4406600865817083
Energy: 1.417381844976895
Energy: 1.4276911822758322
Energy: 1.3903413014366446
Energy: 1.4747862133890217
Energy: 1.3877413390213802
Energy: 1.3989258998654308
Energy: 1.4169109036383345
Energy: 1.416770186697363
Energy: 1.384607552758973
Energy: 1.4174638486349311
Energy: 1.4823620692661998
Energy: 1.3712484073602285
Energy: 1.4153058394065496
Energy: 1.4162468097274765
Energy: 1.3880468072027234
Energy: 1.4168100044412755
Energy: 1.3927295757877054
Energy: 1.3349019361898533
Energy: 1.4849084710983236
Energy: 1.5913452862770272
Energy: 1.3904805485532492
Energy: 1.5819492551835266
Energy: 1.4096261583388439
Energy: 1.3716104377009628
Energy: 1.4158470130719205
Energy: 1.417031182454237
Energy: 1.3908629632072171
Energy: 1.417336059777979
Energy: 1.4212883221270074
Energy: 1.3514367907483118
Energy: 1.442331075209035
Energy: 1.4452302833753152
Energy: 1.3806973273313234
Energy: 1.4167841174757272
Energy: 1.4982119129883884
Energy: 1.437987507037266
Energy: 1.4154886256909602
Energy: 1.456411664310453
Energy: 1.391869686801893
Energy: 1.4679312102339606
Energy: 1.3874250974983278
Energy: 1.3604720964062582
Energy: 1.475206825006469
Energy: 1.5258845273559654
Energy: 1.2943805048967338
Energy: 1.481873162375939
Energy: 1.4687643224812594
Energy: 1.4436932642551907
Energy: 1.468721749475979
Energy: 1.4877997723807446
Energy: 1.290290946889171
Energy: 1.4670699281575574
Energy: 1.4683039446258257
Energy: 1.4377933464306587
Energy: 1.5426448318265875
Energy: 1.5103283280056885
Energy: 1.2894949221050247
Energy: 1.5003746140700527
Energy: 1.5657141411439421
Energy: 1.3913714261569499
Energy: 1.3147692010267873
Energy: 1.3148674315204678
Energy: 1.2708869282203563
Energy: 1.3142949735042748
Energy: 1.6078238135774288

minimum gb energy = 1.2398304514478995 eV
minimum distance =  2.20370761207083 Angstroms
sigma value = 57


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

Energy: 2.3688339043147426
Energy: 1.301710689770297
Energy: 1.1674939839642504
Energy: 1.1684314648781264
Energy: 1.3176329763471282
Energy: 1.433734844958555
Energy: 1.1437791613414012
Energy: 1.4491042879977083
Energy: 1.2937419685764495
Energy: 1.139545169494327
Energy: 1.2937185362094896
Energy: 1.4157932446847992
Energy: 1.143791618624842
Energy: 1.3383468835587322
Energy: 1.427450477939001
Energy: 1.1404880722721282
Energy: 1.4273644686213989
Energy: 1.2961778394734298
Energy: 1.1461042260807648
Energy: 1.4270770495704241
Energy: 1.4281355116365788
Energy: 1.3456283351320557
Energy: 1.427036304348235
Energy: 1.1442073505840864
Energy: 1.147180421558017
Energy: 1.344560832875308
Energy: 1.4345792081708506
Energy: 1.13925263308902
Energy: 1.4280601873253715
Energy: 1.3448007113791465
Energy: 1.136345536972613
Energy: 1.2929332339526205
Energy: 1.4369503240233428
Energy: 1.1502415980169673
Energy: 1.2955526644782804
Energy: 1.2920020692721244
Energy: 1.1628197718077549
Energy: 1.324333605161346
Energy: 1.299039453973647
Energy: 1.3381110741592837
Energy: 1.3302597651795331
Energy: 1.1655012749197882
Energy: 1.1665945260855337
Energy: 1.2927342969882767
Energy: 1.4501157405135419
Energy: 1.2963224333265524
Energy: 1.2948488032595193
Energy: 1.291111970426838
Energy: 1.1643595601636212
Energy: 1.1652813212024073
Energy: 1.448966493627546
Energy: 1.1421387271766734
Energy: 1.4353164179172104
Energy: 1.1652555008732306
Energy: 1.1664426448366711
Energy: 1.2983612409418206
Energy: 1.4135203007663515
Energy: 1.4123787080942898
Energy: 1.2951860576643028
Energy: 1.165234057024342
Energy: 1.141821243486685
Energy: 1.1468881735952177
Energy: 1.4399884820416267
Energy: 1.1409670118980344
Energy: 1.2917276492158052
Energy: 1.1455666924315073
Energy: 1.1510506202041568
Energy: 1.447522492858681
Energy: 1.4274957200783362
Energy: 1.142021834766517
Energy: 1.4280020560516635
Energy: 1.2936030775572782
Energy: 1.151998132914609
Energy: 1.427790501055959
Energy: 1.3442270762580784
Energy: 1.2981481648231021
Energy: 1.4447634781633285
Energy: 1.4278111159043707
Energy: 1.1492059901084462
Energy: 1.4493827501880137
Energy: 1.3448201006374187
Energy: 1.1452285691203368
Energy: 1.4278141761557375
Energy: 1.3429128784179811
Energy: 1.1453421446523009
Energy: 1.4285965822391202
Energy: 1.297237674384375
Energy: 1.1474768904406647
Energy: 1.2986870633394507
Energy: 1.2944020408975627
Energy: 1.4201799749322104
Energy: 1.2975808501927197
Energy: 1.299073356378453
Energy: 1.1487989183564553
Energy: 1.297427280998078
Energy: 1.3418549217501086
Energy: 1.4166059646845774
Energy: 1.2935866090756105
Energy: 1.2930390557181342
Energy: 1.1666136092951165
Energy: 1.2928970117394734
Energy: 1.4162929216083269
Energy: 1.1386889435222902
Energy: 1.434297542654837
Energy: 1.165036550427188
Energy: 1.1628778133655797
Energy: 1.2994619287132871
Energy: 1.4143258000213421
Energy: 1.4214476935440656
Energy: 1.2941557524093505
Energy: 1.2917717747068642
Energy: 1.1656853562604157
Energy: 1.2923950982975156
Energy: 1.4339977727647883

minimum gb energy = 1.136345536972613 eV
minimum distance =  2.18286206273962 Angstroms
sigma value = 11


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

Energy: 1.5954987080930083
Energy: 1.208853543302118
Energy: 1.0859255882876093
Energy: 1.192800905259421
Energy: 1.198816969105387
Energy: 1.3104452095119432
Energy: 1.4648639046158474
Energy: 1.3360188294791575
Energy: 1.2529949411161194
Energy: 1.2504389779970646
Energy: 1.1937387462597098
Energy: 1.3666875383223467
Energy: 1.4751985943466568
Energy: 1.338017195504179
Energy: 1.338042929947835
Energy: 1.249070326462504
Energy: 1.3349864504914715
Energy: 1.3358571320224109
Energy: 1.4648715580884641
Energy: 1.3357135245228966
Energy: 1.338082535583794
Energy: 1.2512615160734546
Energy: 1.334424118174804
Energy: 1.3603618339552572
Energy: 1.4674491553100022
Energy: 1.3341802493848383
Energy: 1.3354273504156895
Energy: 1.3621832010379524
Energy: 1.3340141707670026
Energy: 1.359926498697675
Energy: 1.470477555430555
Energy: 1.336772929193341
Energy: 1.3354600731671489
Energy: 1.3012682708191226
Energy: 1.3357001013796501
Energy: 1.4015581868227662
Energy: 1.2780649259599797
Energy: 1.2482788978699269
Energy: 1.3353486867186966
Energy: 1.2487451397933793
Energy: 1.3352865473219973
Energy: 1.2464039434829048
Energy: 1.0791558841217637
Energy: 1.3358149081685489
Energy: 1.336057800447414
Energy: 1.3358395143095818
Energy: 1.342178813200149
Energy: 1.2500646837160359
Energy: 1.2788794375006471
Energy: 1.196266458596552
Energy: 1.3666396268759167
Energy: 1.4096343005944
Energy: 1.3359803808964383
Energy: 1.2006847613873899
Energy: 1.2681898320255842
Energy: 1.1924407602995706
Energy: 1.1931816854729245
Energy: 1.3840370109763438
Energy: 1.1931682869548137
Energy: 1.1963739909364386
Energy: 1.086064156362963
Energy: 1.1925913869408726
Energy: 1.1940538483003194
Energy: 1.3377275183530246
Energy: 1.1927155606267703
Energy: 1.191937009711984
Energy: 1.0807684565095328
Energy: 1.1934870150445511
Energy: 1.3666119257422749
Energy: 1.3666313984640368
Energy: 1.3053040906433269
Energy: 1.0850508477694936
Energy: 1.0865428986262538
Energy: 1.1969459221950844
Energy: 1.3403594452251293
Energy: 1.3616895976394867
Energy: 1.193094318057439
Energy: 1.0842500219700193
Energy: 1.0785111464590953
Energy: 1.195524079625198
Energy: 1.297690935958178
Energy: 1.3607103972812735
Energy: 1.2012057527654803
Energy: 1.2506150407042116
Energy: 1.2727259732936056
Energy: 1.1972930273067346
Energy: 1.3665010916832243
Energy: 1.368498775174923
Energy: 1.3383125971791665
Energy: 1.2559519997875985
Energy: 1.2770156380173208
Energy: 1.334659504638902
Energy: 1.383852045411134
Energy: 1.4034125625035438
Energy: 1.3347170576628278
Energy: 1.3350411165014562
Energy: 1.288814690323076
Energy: 1.338565859550751
Energy: 1.3611708643487974
Energy: 1.3621439361087941
Energy: 1.3348616671340763
Energy: 1.247261432484394
Energy: 1.4683501701560413
Energy: 1.335285036218068
Energy: 1.3358738346848607
Energy: 1.425326409822833
Energy: 1.3353303984780183
Energy: 1.3363871216306276
Energy: 1.4687772882215575
Energy: 1.334601516668466
Energy: 1.4012285081599754
Energy: 1.3645750362424858
Energy: 1.3354360392901272
Energy: 1.3843313666464514
Energy: 1.302913869014645
Energy: 1.3358474422700544
Energy: 1.247299032361507
Energy: 1.2075277184828581
Energy: 1.3377698213089921
Energy: 1.336417881414982
Energy: 1.4651619591026108
Energy: 1.3437438764967653
Energy: 1.2505327273822626
Energy: 1.0758711263695226
Energy: 1.334073625585828
Energy: 1.3340686277587335
Energy: 1.478877275524422
Energy: 1.339332631258963
Energy: 1.1943152606413125
Energy: 1.2581564792424527
Energy: 1.1944403775389367
Energy: 1.3653157381069272
Energy: 1.7457552601075728
Energy: 1.193536090280461
Energy: 1.1952447012391505
Energy: 1.0799523303372918
Energy: 1.1936086353924338
Energy: 1.3352474147639168
Energy: 1.7370385214154112
Energy: 1.191769051304842
Energy: 1.1919744996322825
Energy: 1.0928351547188995
Energy: 1.1911169866914944
Energy: 1.366870648713616
Energy: 1.4608611102981492
Energy: 1.3046479341330022
Energy: 1.0850257455965906
Energy: 1.0819538897533716
Energy: 1.1946251422946166
Energy: 1.3649460842092402
Energy: 2.0278384575260895
Energy: 1.1924077891030038
Energy: 1.0829438540541008
Energy: 1.083695338184973
Energy: 1.1923039963803232
Energy: 1.2964238199117648

minimum gb energy = 1.0758711263695226 eV
minimum distance =  2.17057980987441 Angstroms
sigma value = 41


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

Energy: 1.8935715977594028
Energy: 1.096225784168508
Energy: 1.0059465235546357
Energy: 1.0067446515383849
Energy: 1.096012280138959
Energy: 1.2587749436092868
Energy: 1.7383681133063213
Energy: 1.2179205234136268
Energy: 1.099312029952286
Energy: 1.1364372389292303
Energy: 1.0997823622289455
Energy: 1.248816445795935
Energy: 1.7331856983234444
Energy: 1.26123224574263
Energy: 1.2171308667602736
Energy: 1.1616935077083712
Energy: 1.2161193034833444
Energy: 1.2954794383613377
Energy: 1.7250858380276646
Energy: 1.2162112110923013
Energy: 1.2166104689469133
Energy: 1.1644973188493588
Energy: 1.2155135243476947
Energy: 1.2442251159698772
Energy: 1.7366634615507854
Energy: 1.2173842045204428
Energy: 1.2152529491747908
Energy: 1.2599847117148468
Energy: 1.2158603063313793
Energy: 1.243400057292125
Energy: 1.732115091472351
Energy: 1.2525122173743206
Energy: 1.2731834446683858
Energy: 1.2608231703566497
Energy: 1.2522969295801418
Energy: 1.2534586990021788
Energy: 1.522934163723784
Energy: 1.2529745447383194
Energy: 1.252354032833199
Energy: 1.2530423061429536
Energy: 1.2521827505399825
Energy: 1.252075426657126
Energy: 1.2967234154284137
Energy: 1.2525192289794376
Energy: 1.2531953704762273
Energy: 1.2165416260323214
Energy: 1.2648724243343883
Energy: 1.2430915536964668
Energy: 1.512128937961348
Energy: 1.273233222838294
Energy: 1.252477291889383
Energy: 1.247419424940564
Energy: 1.2522720491181238
Energy: 1.2163355296531968
Energy: 1.5088465124125359
Energy: 1.2599938493953124
Energy: 1.2155844242814986
Energy: 1.25167470151439
Energy: 1.2160961888875979
Energy: 1.2604908562572736
Energy: 1.1558543006675412
Energy: 1.2163992822376486
Energy: 1.2156786797846093
Energy: 1.2888761823371997
Energy: 1.2166230583378366
Energy: 1.147313189640346
Energy: 1.1532202051615135
Energy: 1.1473923515807551
Energy: 1.2480462672144201
Energy: 1.25222706765548
Energy: 1.2161470560533418
Energy: 1.1478342194719549
Energy: 1.1439657060530035
Energy: 1.0935060737550066
Energy: 1.2165907681942347
Energy: 1.2514514920512312
Energy: 1.0993107128576434
Energy: 1.0933734995393791
Energy: 1.0026506840876959
Energy: 1.0969360160257764
Energy: 1.2147045157547665
Energy: 1.2153676693539845
Energy: 1.0953898675906466
Energy: 1.003468488525044
Energy: 1.0046635545740796
Energy: 1.0935550179455842
Energy: 1.248651556752831
Energy: 1.272568192982159
Energy: 1.2013167544324237
Energy: 1.0933336652399674
Energy: 1.0043128847915206
Energy: 1.0938314959133308
Energy: 1.224525563799421
Energy: 1.2481893186072925
Energy: 1.2010999580548933
Energy: 1.0055885866338952
Energy: 1.0024479986335553
Energy: 1.0068540072075058
Energy: 1.1773619424568897
Energy: 1.2452088057726813
Energy: 1.0952156216114304
Energy: 1.0043165906470362
Energy: 1.1426601352465595
Energy: 1.1312997344815072
Energy: 1.2248350628826594
Energy: 1.2441499972524486
Energy: 1.0987994017200868
Energy: 1.1304515785231464
Energy: 1.156978593354552
Energy: 1.2161625079257274
Energy: 1.2475283997679278
Energy: 1.2521590602485082
Energy: 1.2166285582816332
Energy: 1.1618286432128562
Energy: 1.1594444730401718
Energy: 1.2164777661950081
Energy: 1.2157702848479965
Energy: 1.244110415257661
Energy: 1.2161290291236526
Energy: 1.216756545924524
Energy: 1.5046536034354772
Energy: 1.2160936153833566
Energy: 1.2438676726325824
Energy: 1.243665794074085
Energy: 1.2162791808679565
Energy: 1.2176799388113055
Energy: 1.5194215083730553
Energy: 1.2164726092529587
Energy: 1.2544792369760058
Energy: 1.2501677647277267
Energy: 1.2523299729395194
Energy: 1.216470781139907
Energy: 1.5203991462537505
Energy: 1.2522382530227787
Energy: 1.252755606283092
Energy: 1.2166486431618746
Energy: 1.2647536660397853
Energy: 1.2523588131720669
Energy: 1.5235628647752184
Energy: 1.2525539723346089
Energy: 1.2526685622054248
Energy: 1.2463368990071326
Energy: 1.2524559479449504
Energy: 1.25227462811127
Energy: 1.732781980407125
Energy: 1.25283404333661
Energy: 1.2529037186004257
Energy: 1.2605182017032293
Energy: 1.2525436837116932
Energy: 1.2520141109808345
Energy: 1.53473628173335
Energy: 1.2154758360678501
Energy: 1.260053422011981
Energy: 1.2605527543326303
Energy: 1.215114402872731
Energy: 1.2166821204937643
Energy: 1.500770771170264
Energy: 1.2161578614350068
Energy: 1.1477268573497095
Energy: 1.16256994254674
Energy: 1.2160912073112284
Energy: 1.2156075373891313
Energy: 1.735129796306944
Energy: 1.2246194847702345
Energy: 1.1475873419843095
Energy: 1.1643488705662954
Energy: 1.215278916832425
Energy: 1.251803935107223
Energy: 1.739663906007878
Energy: 1.217804551267902
Energy: 1.0990026202397298
Energy: 1.1381570119011921
Energy: 1.1001912240115683
Energy: 1.2482531277948303
Energy: 1.7196704746017721
Energy: 1.0951072167608051
Energy: 1.0946848607224022
Energy: 1.0021781258241826
Energy: 1.0948821678441583
Energy: 1.2149005315176584
Energy: 1.7349977406537467
Energy: 1.099673251252795
Energy: 1.0946689590855603
Energy: 1.004538272662026
Energy: 1.0992572582942917
Energy: 1.2483362364052488
Energy: 1.7355408765007028
Energy: 1.207296534717497
Energy: 1.003864490354518
Energy: 1.00343219639294
Energy: 1.1853630341092487
Energy: 1.2479414419254522
Energy: 1.7098223176404883
Energy: 1.0938423635922188
Energy: 1.0053821710440216
Energy: 1.0054227452028976
Energy: 1.0942768502351043
Energy: 1.177197825963918

minimum gb energy = 1.0021781258241826 eV
minimum distance =  2.16731862640413 Angstroms
sigma value = 33


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

Energy: 1.8106445893613865
Energy: 0.9617164072094894
Energy: 0.8965868586745257
Energy: 1.0343614562674832
Energy: 0.8998277467384873
Energy: 1.0874875129040913
Energy: 2.03306974332912
Energy: 1.0794128567377375
Energy: 0.9676065189213259
Energy: 0.9802421315223061
Energy: 0.9799752340076211
Energy: 1.0771384855204893
Energy: 2.044872379247447
Energy: 1.0775656210609
Energy: 1.0493979063837486
Energy: 1.004956742691085
Energy: 1.0517762999968123
Energy: 1.0928425998719764
Energy: 1.7126835245570882
Energy: 1.0506663218804069
Energy: 0.9946014082878494
Energy: 1.0020786169181615
Energy: 1.0505118478844666
Energy: 1.0751861215485423
Energy: 1.7662541269556329
Energy: 1.0505246439303404
Energy: 1.0502316242245344
Energy: 1.0755843750647538
Energy: 1.0516298959944645
Energy: 1.077847023771179
Energy: 2.014762079794449
Energy: 1.092984566708894
Energy: 1.0940792478209858
Energy: 1.0753721195559656
Energy: 1.0934366031237923
Energy: 1.0931742077141742
Energy: 1.877414215082594
Energy: 1.1212859549033811
Energy: 1.09400182192616
Energy: 1.1063505643617781
Energy: 1.0921058222719955
Energy: 1.121462470237492
Energy: 1.5822213961653397
Energy: 1.0939490863596002
Energy: 1.0919676965076537
Energy: 1.08081747465318
Energy: 1.0933743150931055
Energy: 1.104767088954633
Energy: 1.856679978839513
Energy: 1.1094254089680344
Energy: 1.0921379214189944
Energy: 1.0932928688464274
Energy: 1.1235936509501963
Energy: 1.1099035082062274
Energy: 1.7089701331277192
Energy: 1.1068068879533195
Energy: 1.1051275280843016
Energy: 1.107585033091305
Energy: 1.106925124504061
Energy: 1.1077625793324184
Energy: 1.3934118553705654
Energy: 1.1055123060987853
Energy: 1.1060762183325152
Energy: 1.1210421217349755
Energy: 1.1078911026749467
Energy: 1.1051409861722394
Energy: 1.3932920792527006
Energy: 1.1056889381482577
Energy: 1.1057663840254046
Energy: 1.1066108778155617
Energy: 1.1066843706639118
Energy: 1.105311012145478
Energy: 1.5422239610621908
Energy: 1.0939238245190677
Energy: 1.1234553835022132
Energy: 1.1081909011213076
Energy: 1.0932315758826419
Energy: 1.093728593845119
Energy: 1.241025616843695
Energy: 1.0948163925109917
Energy: 1.0940375015235868
Energy: 1.1049114679648098
Energy: 1.092787162204236
Energy: 1.0933056586638923
Energy: 1.2458056656758048
Energy: 1.0933500391097848
Energy: 1.127924492145441
Energy: 1.1086324931556146
Energy: 1.1213019185486799
Energy: 1.1138003635856757
Energy: 1.242663019059971
Energy: 1.099527200623437
Energy: 1.0957460828696832
Energy: 1.1059524123355646
Energy: 1.0928127896522604
Energy: 1.0761721036830691
Energy: 1.234670031765523
Energy: 1.075538407596912
Energy: 1.0923670061359552
Energy: 1.0930857295817125
Energy: 1.0506410287488548
Energy: 1.0762413683924477
Energy: 1.029723071970254
Energy: 1.0516826737285043
Energy: 1.0526213916103013
Energy: 1.109395550013321
Energy: 1.05186853273076
Energy: 0.9933472477132207
Energy: 1.031806780689072
Energy: 0.9940142660791925
Energy: 1.077965654342653
Energy: 1.0921764849687936
Energy: 1.051825320750806
Energy: 1.0035181175843289
Energy: 0.9912109102264212
Energy: 0.9610807445029532
Energy: 0.9797817308430499
Energy: 1.0950101866986535
Energy: 0.9595994585218671
Energy: 0.980074639928706
Energy: 0.8938380682229037
Energy: 0.9593210340027112
Energy: 1.0531110358407607
Energy: 1.0918686317371722
Energy: 0.962014920621068
Energy: 0.9016817431632254
Energy: 0.8996200903720867
Energy: 0.958948306955318
Energy: 1.0773848391693048
Energy: 1.0774307295227534
Energy: 1.0239761041017532
Energy: 0.9020137228365747
Energy: 0.8993916580091901
Energy: 0.9594944443416535
Energy: 1.0796374211174402
Energy: 1.0928774738937794
Energy: 1.0434637791745107
Energy: 0.8986424684393896
Energy: 0.8935533696920184
Energy: 0.8996511270828915
Energy: 1.0773611728326813
Energy: 1.080183256866853
Energy: 0.960174281289776
Energy: 0.9037891325113202
Energy: 0.9934042843561978
Energy: 0.9594229477685541
Energy: 1.0811612094802185
Energy: 1.1049997213207923
Energy: 0.9781465378947705
Energy: 0.9813008588193838
Energy: 1.0333742382770903
Energy: 1.0507149995343077
Energy: 1.079013093452899
Energy: 1.0926902872007427
Energy: 1.050959656882499
Energy: 1.003389763396036
Energy: 1.0378699283487938
Energy: 1.0519486565300582
Energy: 1.0495010379099026
Energy: 1.122529291367756
Energy: 1.050415794707965
Energy: 1.012737848027456
Energy: 1.2332763070405615
Energy: 1.051421884207408
Energy: 1.0760241542352698
Energy: 1.10307507202957
Energy: 1.0499011851922415
Energy: 1.0749061598376028
Energy: 1.283414018319642
Energy: 1.1079721068683488
Energy: 1.0934724509889262
Energy: 1.105349015683699
Energy: 1.0940287513044327
Energy: 1.1285103064333324
Energy: 1.2508766673251042
Energy: 1.0938720872774015
Energy: 1.1202084288696756
Energy: 1.1073390255250088
Energy: 1.1217011409447541
Energy: 1.092155918701701
Energy: 1.2905330231319694
Energy: 1.0921286031789892
Energy: 1.1031848103654176
Energy: 1.102393415246452
Energy: 1.0948703632003391
Energy: 1.092738597628364
Energy: 1.5517913875078808
Energy: 1.0914913431639885
Energy: 1.1309433729688303
Energy: 1.108419245746645
Energy: 1.121941554629461
Energy: 1.0927090235390249
Energy: 1.5524671943098665
Energy: 1.1075251918041245
Energy: 1.1058079365477482
Energy: 1.1072046191145086
Energy: 1.106655551221369
Energy: 1.106243212389635
Energy: 1.546552301077418
Energy: 1.105801000899662
Energy: 1.1054843947772912
Energy: 1.1021247454955496
Energy: 1.1064534595024595
Energy: 1.1061099442830677
Energy: 1.8689945398859225
Energy: 1.105828203212294
Energy: 1.1056650620561372
Energy: 1.1051886004647138
Energy: 1.1076208099937035
Energy: 1.1063594240996903
Energy: 1.8811280713087906
Energy: 1.1339254952071
Energy: 1.0915421803809477
Energy: 1.0941346861772052
Energy: 1.0925315889132226
Energy: 1.1094338387650315
Energy: 1.5494013968471654
Energy: 1.092862963797713
Energy: 1.0916815737096182
Energy: 1.1032301653854266
Energy: 1.093412730832827
Energy: 1.1059167452442498
Energy: 1.8634996605369847
Energy: 1.1400805040769
Energy: 1.1106392980739117
Energy: 1.1146191039376327
Energy: 1.1009781428750283
Energy: 1.13059000082045
Energy: 2.0401479133376723
Energy: 1.0930396357626972
Energy: 1.120030321292923
Energy: 1.0759766144595062
Energy: 1.092318978592994
Energy: 1.0940700560425882
Energy: 1.871223433843865
Energy: 1.0523639807138168
Energy: 1.0762873205980232
Energy: 1.075783572167891
Energy: 1.0507293197728576
Energy: 1.0927209139865803
Energy: 1.872855882491658
Energy: 1.0529959950305028
Energy: 0.9938973456898299
Energy: 1.0038967116715414
Energy: 1.05147448810728
Energy: 1.051729595363492
Energy: 2.0401765259552844
Energy: 1.0772290789838024
Energy: 0.9941669106745274
Energy: 1.0104787985116024
Energy: 1.0513312096497132
Energy: 1.0781887749176222
Energy: 2.028664020605127
Energy: 0.9939785984368547
Energy: 0.9855915166063314
Energy: 0.9816832920470419
Energy: 0.9598592459877717
Energy: 1.0788818115692003
Energy: 1.872107515506984
Energy: 0.9642406352957502
Energy: 0.9011375226888372
Energy: 0.8959446588960497
Energy: 0.9604728142431409
Energy: 1.0920247449905363
Energy: 2.02059575523874
Energy: 1.0782611417454826
Energy: 0.9602490654253917
Energy: 0.8990172664262992
Energy: 0.9594996855251685
Energy: 1.07785327599303
Energy: 2.012677864893095
Energy: 1.0782418247037506
Energy: 0.8980842292705721
Energy: 0.9011970878701359
Energy: 0.9592710132828727
Energy: 1.0781296168954748
Energy: 2.0313750425071175
Energy: 0.9619362369202241
Energy: 0.8990169342249397
Energy: 0.8944872523184648
Energy: 0.9618124066812478
Energy: 1.0773517060785616

minimum gb energy = 0.8935533696920184 eV
minimum distance =  2.22841921337704 Angstroms
sigma value = 67


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

Energy: 0.3424258433779116
Energy: 0.40977323754134093
Energy: 0.42353617726411863
Energy: 0.4238128725448352
Energy: 0.4089460135937808
Energy: 0.2924073831815665
Energy: 1.4967042794288528
Energy: 0.4228088934988498
Energy: 0.40742422419549335
Energy: 0.40744376952704464
Energy: 0.4213456866935941
Energy: 0.42280182505309993
Energy: 1.481416214495064
Energy: 0.40736449104292016
Energy: 0.4072708514584951
Energy: 0.4075881378809905
Energy: 0.4067640827566945
Energy: 0.4072636382501615
Energy: 0.2761960059198105
Energy: 0.4069249836427651
Energy: 0.4076153635372684
Energy: 0.407664694652904
Energy: 0.4064129787208535
Energy: 0.2755633136404734
Energy: 0.27546275464546155
Energy: 0.4063581421437181
Energy: 0.4070935969449147
Energy: 0.4075425696517092
Energy: 0.40583022350363374
Energy: 0.2754864009531747
Energy: 1.4803865861510965
Energy: 0.40694128683507147
Energy: 0.4075976906145579
Energy: 0.40758367526472283
Energy: 0.40673568895198536
Energy: 0.4076162485960686
Energy: 0.2754835107090887
Energy: 0.4232143671771446
Energy: 0.40751998902344305
Energy: 0.40778407834083263
Energy: 0.4075873613877093
Energy: 0.42296672971376875

minimum gb energy = 0.27546275464546155 eV
minimum distance =  2.40723372239435 Angstroms
sigma value = 3


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

Energy: 2.018718028004913
Energy: 0.9620413587790729
Energy: 0.877880573804121
Energy: 0.86592391669046
Energy: 0.9685288544177343
Energy: 1.0816885376258636
Energy: 1.9864493351602663
Energy: 1.0585969412028606
Energy: 0.8622495954231661
Energy: 0.8652716578913889
Energy: 0.8617207704140406
Energy: 1.06625713210464
Energy: 1.6619834309628814
Energy: 1.0452095862630235
Energy: 0.8694182584923985
Energy: 0.8710556904982529
Energy: 0.8693158482752158
Energy: 1.0510841456093374
Energy: 2.1319643155944528
Energy: 0.9623669905566119
Energy: 0.8632212799479128
Energy: 0.865090467073709
Energy: 0.9683670440431641
Energy: 1.0615763326420162
Energy: 2.135454390094451
Energy: 0.9562085376911302
Energy: 0.9609709299065583
Energy: 0.9588136513608303
Energy: 0.9631225681100838
Energy: 1.0563892931125847
Energy: 1.6614504790955302
Energy: 1.0424317697953194
Energy: 0.9723788029665792
Energy: 0.9620811830701557
Energy: 0.9569033935278386
Energy: 1.066149405399339
Energy: 1.9902949780669141
Energy: 1.063874250706976
Energy: 0.9675690821410805
Energy: 0.9733328898725946
Energy: 0.9743250357671297
Energy: 1.0666274248860708
Energy: 1.8461185438286323
Energy: 1.0607691736725027
Energy: 1.0712837716678634
Energy: 1.0971760527070271
Energy: 1.059916747304107
Energy: 1.0815109960153384
Energy: 1.9841853565148675
Energy: 1.0666269113214866
Energy: 1.0700787801874225
Energy: 1.0827502962553166
Energy: 1.0889245773537675
Energy: 1.0726495609683677
Energy: 1.6607016155211762
Energy: 1.0812683456496737
Energy: 1.0568774767844125
Energy: 1.074204005538955
Energy: 1.059358001048901
Energy: 1.0979711685835745
Energy: 1.8404107509760235
Energy: 1.0821396280188216
Energy: 1.0960513190380963
Energy: 1.213464153724534
Energy: 1.0956202716579444
Energy: 1.0858029449796138
Energy: 1.81859599284833
Energy: 1.0934468436983096
Energy: 1.0891700393973522
Energy: 1.1284082472834724
Energy: 1.090454875023409
Energy: 1.0941101373461788
Energy: 1.80997676828218
Energy: 1.0979462674972131
Energy: 1.0844700761944353
Energy: 1.1023129850064772
Energy: 1.0974806956727883
Energy: 1.10557360675917
Energy: 1.8024070571792228
Energy: 1.0882925850499496
Energy: 1.1043572741195076
Energy: 1.125160630710334
Energy: 1.1042680619843965
Energy: 1.0886386985386014
Energy: 1.5340824654109595
Energy: 1.0933544427248507
Energy: 1.1215911353677335
Energy: 1.132409638391189
Energy: 1.1089937054420043
Energy: 1.0900933376657844
Energy: 1.5303417262688992
Energy: 1.117932451448734
Energy: 1.0893585938610308
Energy: 1.0867166768124892
Energy: 1.0945137772921238
Energy: 1.1097163906167535
Energy: 1.5201726686088572
Energy: 1.112786928347363
Energy: 1.089359296756109
Energy: 1.08823790041281
Energy: 1.091144580006703
Energy: 1.1153100202164272
Energy: 1.5372897357441284
Energy: 1.091838970004489
Energy: 1.0962042085037458
Energy: 1.1037631108860433
Energy: 1.0868367530143197
Energy: 1.0836197925302204
Energy: 1.519871456722388
Energy: 1.0958585336961233
Energy: 1.0929017438149757
Energy: 1.0982729716056774
Energy: 1.086966870125903
Energy: 1.0983999166990535
Energy: 1.2539015380950365
Energy: 1.0934121973916746
Energy: 1.0871687843039355
Energy: 1.0883068175866497
Energy: 1.0810720056596455
Energy: 1.1011686266688143
Energy: 1.2248621195356098
Energy: 1.0594680120774638
Energy: 1.0914111826187682
Energy: 1.1107426853062201
Energy: 1.0907384951293524
Energy: 1.0564428589588133
Energy: 1.2402327730709364
Energy: 1.066242649707222
Energy: 1.0841841512618051
Energy: 1.136258480819139
Energy: 1.0671142458976395
Energy: 1.0739523532042088
Energy: 0.983559046853198
Energy: 1.0715588579445336
Energy: 1.074575995718858
Energy: 1.086117843144606
Energy: 1.0575868353565367
Energy: 0.975579516460862
Energy: 0.9833023265408746
Energy: 0.9665947313600339
Energy: 1.0662430217422896
Energy: 1.0992542594535875
Energy: 1.0752117881360137
Energy: 0.971609444522014
Energy: 0.9824421269033722
Energy: 0.9561266792030136
Energy: 1.0516569632501496
Energy: 1.0899067408550016
Energy: 0.9648423479607795
Energy: 0.9650090991167335
Energy: 0.9765094282567426
Energy: 0.9622251033847845
Energy: 1.0441052662968535
Energy: 1.0715321823594128
Energy: 0.9552629229085995
Energy: 0.9591784592938143
Energy: 0.8630563887794295
Energy: 0.8607547300990744
Energy: 1.0408766003143486
Energy: 1.073900768207505
Energy: 0.9588383147670598
Energy: 0.8621243243185932
Energy: 0.8710318174471852
Energy: 0.869322954576659
Energy: 1.0454111857818273
Energy: 1.1232603710188835
Energy: 0.8717684077931472
Energy: 0.8671978190007709
Energy: 0.8642872212029852
Energy: 0.8633205810206457
Energy: 1.0559880503909513
Energy: 1.0876634095313897
Energy: 0.9681907052454112
Energy: 0.8630453631938029
Energy: 1.0099684948640204
Energy: 0.9950513136784148
Energy: 1.059914266587727
Energy: 1.0829192524496345
Energy: 0.9559677715399105
Energy: 0.9828313760274033
Energy: 0.9838366776034915
Energy: 0.9687776255292558
Energy: 1.0616441501044662
Energy: 1.0966675522087581
Energy: 0.9752315776632096
Energy: 0.9884312198039817
Energy: 0.9771240360107115
Energy: 0.9572408676910644
Energy: 1.0787935496192598
Energy: 1.1006304687623807
Energy: 0.9859766050157391
Energy: 0.963860483874907
Energy: 0.9895186860901873
Energy: 0.9746303660440135
Energy: 1.058403261770637
Energy: 1.0902997453923067
Energy: 1.060488920362935
Energy: 0.9678429478487252
Energy: 1.2303463969996362
Energy: 1.0657048456638505
Energy: 1.0664669792111994
Energy: 1.0794433994269508
Energy: 1.0558658236479568
Energy: 1.0601761545688395
Energy: 1.2326167970809163
Energy: 1.0616459011817903
Energy: 1.0999882735073787
Energy: 1.1471867221206342
Energy: 1.061973811337394
Energy: 1.0603212675943656
Energy: 1.2451620383352635
Energy: 1.0870764402636048
Energy: 1.0911145894528838
Energy: 1.0905247810344179
Energy: 1.080844362178092
Energy: 1.0881971437413636
Energy: 1.3873707367170016
Energy: 1.0943683819870877
Energy: 1.0811008779951938
Energy: 1.0890526941952232
Energy: 1.0807698948490987
Energy: 1.1019856009252098
Energy: 1.3886452129583318
Energy: 1.087189513763443
Energy: 1.0955465650289258
Energy: 1.0998234611914588
Energy: 1.1085718799893671
Energy: 1.0840181300555047
Energy: 1.5137909175177973
Energy: 1.0820664754972271
Energy: 1.090625691001492
Energy: 1.105423709199871
Energy: 1.1117749666803247
Energy: 1.0999849860772244
Energy: 1.533188398861646
Energy: 1.1124975272867978
Energy: 1.0884706993768563
Energy: 1.086433905405186
Energy: 1.094932883689321
Energy: 1.1210610889472052
Energy: 1.6751186569716732
Energy: 1.1027717214378927
Energy: 1.1118050659319463
Energy: 1.103471158011848
Energy: 1.101753658139719
Energy: 1.0959802645383425
Energy: 1.6773183469004311
Energy: 1.0892853083754384
Energy: 1.106405911601441
Energy: 1.1098663639683641
Energy: 1.1024473679922246
Energy: 1.0903704263885046
Energy: 1.6565871635557354
Energy: 1.0815679113899777
Energy: 1.0811322357908872
Energy: 1.1126110799855327
Energy: 1.0841264280439988
Energy: 1.109971621270223
Energy: 1.9542443114800092
Energy: 1.092502369003291
Energy: 1.0932173166901344
Energy: 1.0848348631561615
Energy: 1.0906997878648403
Energy: 1.1079346598797986
Energy: 1.7005230951723058
Energy: 1.0824356814444152
Energy: 1.0888481646008215
Energy: 1.1143573999399996
Energy: 1.088942620905708
Energy: 1.087758409035542
Energy: 1.9521872867046226
Energy: 1.0889401667859009
Energy: 1.093702657346931
Energy: 1.092353919039139
Energy: 1.0963055142546025
Energy: 1.08978224019387
Energy: 1.6623473768359602
Energy: 1.066897936177461
Energy: 1.0650595180123126
Energy: 1.0614842906094664
Energy: 1.0701229589965595
Energy: 1.08913538940927
Energy: 1.980996227323947
Energy: 1.0654683353847616
Energy: 1.057453741532772
Energy: 1.0789999499512113
Energy: 1.0618249682986507
Energy: 1.0715949388534385
Energy: 1.9766498933720829
Energy: 1.0609712483304379
Energy: 0.965797018107605
Energy: 0.9747026719334161
Energy: 0.9747064493180071
Energy: 1.0711532236417836
Energy: 1.6612440220089848
Energy: 1.0648837763197676
Energy: 0.9634050652709705
Energy: 0.9597624295505232
Energy: 0.9579799823925924
Energy: 1.0786695867971499
Energy: 1.9941103797691249
Energy: 0.9747483965020376
Energy: 0.9575675296678539
Energy: 0.9787902332302383
Energy: 0.961340665851614
Energy: 1.0662900407742057

minimum gb energy = 0.8607547300990744 eV
minimum distance =  2.2332383416397 Angstroms
sigma value = 81


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

Energy: 2.161441850024416
Energy: 1.093474241817319
Energy: 0.9868932297605172
Energy: 0.9686697507392034
Energy: 1.1192878399220136
Energy: 1.2366158643730936
Energy: 1.706188131876469
Energy: 1.107406597687345
Energy: 0.9663027266600284
Energy: 0.9652785725477223
Energy: 0.9658872267814906
Energy: 1.213849106792485
Energy: 1.6924922157245843
Energy: 1.0905004920483947
Energy: 0.9734718290269493
Energy: 0.9720156564923573
Energy: 0.9735016959044511
Energy: 1.1994293097020554
Energy: 1.7285832218886104
Energy: 1.0890342560860888
Energy: 0.9664504195747644
Energy: 0.9657850472147069
Energy: 0.9661905428727177
Energy: 1.2119054050790354
Energy: 1.7292217314648335
Energy: 1.0894764355258266
Energy: 1.102240683486891
Energy: 1.0922817945016694
Energy: 1.0897158795429114
Energy: 1.2194678315980834
Energy: 1.692095637029394
Energy: 1.0908226052632986
Energy: 1.0894590637269312
Energy: 1.098504404722636
Energy: 1.090247215550534
Energy: 1.2434714928788435
Energy: 1.7160528211843182
Energy: 1.2233693606930869
Energy: 1.1010270649263594
Energy: 1.1163150297297002
Energy: 1.1016679146196853
Energy: 1.2240877077908752
Energy: 1.879714481217197
Energy: 1.2133651708343791
Energy: 1.2445950326475854
Energy: 1.144941403069986
Energy: 1.2195533395844647
Energy: 1.227873876329913
Energy: 1.6848044218861165
Energy: 1.246917028336575
Energy: 1.2305095663887635
Energy: 1.2051000024932883
Energy: 1.223799278623774
Energy: 1.2250139084612848
Energy: 1.6962740763462774
Energy: 1.2363949739743232
Energy: 1.2125850084355285
Energy: 1.2265757246755
Energy: 1.2232385155334056
Energy: 1.2446797090328714
Energy: 1.4813157175222564
Energy: 1.2358677939495408
Energy: 1.2448907143008034
Energy: 1.4050241784544475
Energy: 1.247665791835206
Energy: 1.2295169122540863
Energy: 1.4984331378055247
Energy: 1.2445551705574849
Energy: 1.2451106616971632
Energy: 1.2257490114233802
Energy: 1.2443373614974014
Energy: 1.2452099975769177
Energy: 1.5186782112830188
Energy: 1.2454758218145867
Energy: 1.236314102965865
Energy: 1.2443512311571836
Energy: 1.245531073960421
Energy: 1.2539454103997867
Energy: 1.47184410735784
Energy: 1.2197402450585384
Energy: 1.2367749402102017
Energy: 1.2501925757970391
Energy: 1.240949579299655
Energy: 1.2207666713291108
Energy: 1.479421182433465
Energy: 1.2241233349445433
Energy: 1.2247795870841975
Energy: 1.282060686755135
Energy: 1.2235507069000877
Energy: 1.2153256862725805
Energy: 1.1412070139719155
Energy: 1.2354138994740242
Energy: 1.2234165261889867
Energy: 1.2335613530710827
Energy: 1.2226761276847582
Energy: 1.244984134460615
Energy: 1.120581908206536
Energy: 1.1007162236319565
Energy: 1.2247380602184232
Energy: 1.2419203347535497
Energy: 1.2142954392287066
Energy: 1.1019749733353013
Energy: 1.1226674120840712
Energy: 1.0921838628650986
Energy: 1.19957012431917
Energy: 1.2509941948728798
Energy: 1.0892556069651762
Energy: 1.0904710285834864
Energy: 1.121337365336378
Energy: 1.0885589781811646
Energy: 1.1944928201335359
Energy: 1.2231873534544144
Energy: 1.0898314629269232
Energy: 1.09081942822259
Energy: 0.9666385646267962
Energy: 0.9659869603827527
Energy: 1.1946572132068625
Energy: 1.2234823977516605
Energy: 1.0893166617960897
Energy: 0.9656744742906591
Energy: 0.9731857954499996
Energy: 0.9729526011644405
Energy: 1.199682262332823
Energy: 1.2886610441456698
Energy: 0.972286388011787
Energy: 0.9723748715997785
Energy: 0.9697816131617205
Energy: 0.9659541879251454
Energy: 1.2034235853895996
Energy: 1.237260489920554
Energy: 1.1072325332362478
Energy: 0.966005622097533
Energy: 0.9839167541037938
Energy: 0.9849952325383889
Energy: 1.2241782676444917
Energy: 1.2534253756844593
Energy: 1.105998992065407
Energy: 0.9847372644361088
Energy: 1.1279797244014669
Energy: 1.0903461621510007
Energy: 1.202518557180086
Energy: 1.2378579801994563
Energy: 1.1072812273523012
Energy: 1.103567702094699
Energy: 1.1211458923378275
Energy: 1.0887334224713674
Energy: 1.244596724204154
Energy: 1.2890401721205351
Energy: 1.0892578033974956
Energy: 1.0962990007015008
Energy: 1.1436621567079794
Energy: 1.1142154584584631
Energy: 1.2233921236556626
Energy: 1.2267559038043778
Energy: 1.2186087021430723
Energy: 1.1089704623261487
Energy: 1.308126368082336
Energy: 1.2185648588317723
Energy: 1.2252107690287257
Energy: 1.2273512077249922
Energy: 1.2230723657707627
Energy: 1.219686547602358
Energy: 1.2857183118559268
Energy: 1.2227612421340814
Energy: 1.2238558520576073
Energy: 1.423828265772957
Energy: 1.2240144866446332
Energy: 1.2272688343770848
Energy: 1.4780935680671718
Energy: 1.2343063107399175
Energy: 1.2371949409520615
Energy: 1.2379437204682735
Energy: 1.2354694100185746
Energy: 1.2386335705575315
Energy: 1.494848275163555
Energy: 1.2619603746674692
Energy: 1.2382665852181047
Energy: 1.2227553787854333
Energy: 1.2458683106291628
Energy: 1.2465631755822844
Energy: 1.6742015218454382
Energy: 1.2434096437497217
Energy: 1.2606639966625164
Energy: 1.2534359986659698
Energy: 1.2454618155707782
Energy: 1.2251511257897196
Energy: 1.6975704684238566
Energy: 1.2428098589497305
Energy: 1.2279268192871937
Energy: 1.2475798456296299
Energy: 1.245708598582729
Energy: 1.2396667305396718
Energy: 1.6890278906968001
Energy: 1.2235867239024654
Energy: 1.221849218212851
Energy: 1.2324321099327447
Energy: 1.2229123109611655
Energy: 1.2379945129421857
Energy: 1.6781170613461796
Energy: 1.2239071827626002
Energy: 1.2185571426658017
Energy: 1.2266327026337531
Energy: 1.2182137242940452
Energy: 1.2420992567808995
Energy: 1.6692104048645435
Energy: 1.2134451855099215
Energy: 1.1138684407432962
Energy: 1.1114974905391501
Energy: 1.2357933613548189
Energy: 1.232859291866065
Energy: 1.6955833411502481
Energy: 1.2359426041732087
Energy: 1.0892915801680838
Energy: 1.091093870042737
Energy: 1.0889060253968785
Energy: 1.2448138470657997
Energy: 1.7312640310555467
Energy: 1.2007123717433985
Energy: 1.0904384318810536
Energy: 1.0922628703094444
Energy: 1.091475839076391
Energy: 1.2234642799211604
Energy: 1.675471466134012
Energy: 1.0898461750324073
Energy: 1.09976111321339
Energy: 0.9852507318006858
Energy: 1.0899326090217711
Energy: 1.224887768025285

minimum gb energy = 0.9652785725477223 eV
minimum distance =  2.27570665877818 Angstroms
sigma value = 43


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

Energy: 1.9808375872937218
Energy: 1.1975223358297111
Energy: 1.0422503348659335
Energy: 1.0418921564062757
Energy: 1.196155362871591
Energy: 1.3472720037575523
Energy: 1.5019036377087758
Energy: 1.1908074200150602
Energy: 1.0428440011208793
Energy: 1.0404238845410592
Energy: 1.0457765258511538
Energy: 1.3233760938022245
Energy: 1.472300854093381
Energy: 1.1896251305808379
Energy: 1.0470462386368664
Energy: 1.0458770434599056
Energy: 1.04716062390244
Energy: 1.3178623125464246
Energy: 1.7113360085279525
Energy: 1.1894763967349549
Energy: 1.0393235551592268
Energy: 1.0388637301425878
Energy: 1.041065408008583
Energy: 1.326850116272578
Energy: 1.7139834428154161
Energy: 1.1895585450644208
Energy: 1.199386114647847
Energy: 1.1956980662677925
Energy: 1.1867499387188751
Energy: 1.333277483931432
Energy: 1.4749498421787735
Energy: 1.1889520593266911
Energy: 1.1959977745445807
Energy: 1.1891581664937692
Energy: 1.190630828681464
Energy: 1.3603256699854729
Energy: 1.5025705269253897
Energy: 1.3487849325020145
Energy: 1.1903414277553408
Energy: 1.1907859498579974
Energy: 1.197472666304315
Energy: 1.3402848370601539
Energy: 1.6764473925268422
Energy: 1.331615370905127
Energy: 1.3591983518945743
Energy: 1.2621118509114353
Energy: 1.338311609800826
Energy: 1.3318179375254382
Energy: 1.5017603836396807
Energy: 1.3569273517922982
Energy: 1.3349820574499045
Energy: 1.3176362225909666
Energy: 1.334601350676815
Energy: 1.3363653476204391
Energy: 1.4636584638396508
Energy: 1.339484871820721
Energy: 1.3323396214111447
Energy: 1.3362487732587476
Energy: 1.334120421316619
Energy: 1.343755645732097
Energy: 1.4637176165809176
Energy: 1.3296078664132183
Energy: 1.3542649374252838
Energy: 1.3747960214501
Energy: 1.3340128328092598
Energy: 1.3454166274790427
Energy: 1.684888278926284
Energy: 1.3268285392052424
Energy: 1.3339053939804297
Energy: 1.3424596933594024
Energy: 1.334076650103604
Energy: 1.3286219711179916
Energy: 1.2349825880283882
Energy: 1.2139240965589757
Energy: 1.3305078191226023
Energy: 1.3299018072120168
Energy: 1.3284715556496145
Energy: 1.1913206639308465
Energy: 1.2342931113038742
Energy: 1.1930093220951672
Energy: 1.36021557981238
Energy: 1.3542959513206583
Energy: 1.3201768289248443
Energy: 1.1898451171300855
Energy: 1.2357775319623325
Energy: 1.1895028059389083
Energy: 1.3170510031670843
Energy: 1.337803831345904
Energy: 1.2172348524884935
Energy: 1.1942038507284904
Energy: 1.0410608083704218
Energy: 1.1996915830960768
Energy: 1.3207549264507723
Energy: 1.3474075653089066
Energy: 1.1890992534154072
Energy: 1.1972583026349697
Energy: 1.0409720468976837
Energy: 1.042527956053559
Energy: 1.3228304165655567
Energy: 1.381600385023558
Energy: 1.1895749867635577
Energy: 1.0414601948619524
Energy: 1.0467118548583645
Energy: 1.0464050254106332
Energy: 1.3175380159601664
Energy: 1.3932295033151518
Energy: 1.0658974045265563
Energy: 1.046902244041623
Energy: 1.039528749508407
Energy: 1.0411617230721852
Energy: 1.1897218450050326
Energy: 1.332925965501683
Energy: 1.1888752891756724
Energy: 1.0393773111323539
Energy: 1.2782075914109001
Energy: 1.1957440405587838
Energy: 1.1898295864193063
Energy: 1.3223173730442415
Energy: 1.1889277729170422
Energy: 1.1979339331792882
Energy: 1.2342947777067228
Energy: 1.1867471598776667
Energy: 1.317963249347851
Energy: 1.3422416429963262
Energy: 1.1889655274140278
Energy: 1.1898882729745444
Energy: 1.2615985104275722
Energy: 1.2001565756189871
Energy: 1.3405530576098408
Energy: 1.4542910453098805
Energy: 1.2134328883787269
Energy: 1.1972085733123239
Energy: 1.2343699158182773
Energy: 1.343709938622343
Energy: 1.3429297875961437
Energy: 1.3270149431296534
Energy: 1.344290763955606
Energy: 1.214671197023867
Energy: 1.4270990643496078
Energy: 1.3493646435471636
Energy: 1.3348679036180695
Energy: 1.3720454181700525
Energy: 1.337452647544003
Energy: 1.327061667365828
Energy: 1.4725382120551354
Energy: 1.3497292167300845
Energy: 1.332854481826495
Energy: 1.348024191400347
Energy: 1.333923473556406
Energy: 1.3454718687313216
Energy: 1.4637217285480961
Energy: 1.333903498390247
Energy: 1.3311288364697471
Energy: 1.3371658040785321
Energy: 1.335139650114232
Energy: 1.3323063060291485
Energy: 1.4226556804431345
Energy: 1.334861665558291
Energy: 1.3268767100208714
Energy: 1.3401593103525475
Energy: 1.32909308760765
Energy: 1.3343665964180957
Energy: 1.4268517569500472
Energy: 1.3276264090435101
Energy: 1.2143865779096517
Energy: 1.2072333281092908
Energy: 1.3427939838216285
Energy: 1.3309053306005583
Energy: 1.4634936466878827
Energy: 1.3312085810746217
Energy: 1.1901643220202485
Energy: 1.1902638580263711
Energy: 1.19096667859632
Energy: 1.3618557351532623
Energy: 1.4636601995057814
Energy: 1.188993688090887
Energy: 1.212332032770658
Energy: 1.1883673891531663
Energy: 1.1891872028780897
Energy: 1.318294773304823
Energy: 1.9244297400376527
Energy: 1.1904354803293402
Energy: 1.1973125591096339
Energy: 1.1975378521315976
Energy: 1.1919071175939222
Energy: 1.3078528091713346

minimum gb energy = 1.0388637301425878 eV
minimum distance =  2.23409450289106 Angstroms
sigma value = 57


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

Energy: 1.700878377165524
Energy: 1.325717754601356
Energy: 1.1525837629914004
Energy: 1.14558216884828
Energy: 1.3281815986403174
Energy: 1.4940997334478028
Energy: 1.4118793118572797
Energy: 1.3271843674861827
Energy: 1.150178002554595
Energy: 1.151910231654729
Energy: 1.1491319332953465
Energy: 1.4567343704101816
Energy: 1.6923465284050958
Energy: 1.3264428195216658
Energy: 1.1501598751381705
Energy: 1.1465159332252592
Energy: 1.150691962690491
Energy: 1.4537965056270354
Energy: 1.6752305616817031
Energy: 1.3253332606619568
Energy: 1.1544193122589097
Energy: 1.1425931477015094
Energy: 1.148554915095479
Energy: 1.4522314415601336
Energy: 1.6751097774650616
Energy: 1.3214669124699447
Energy: 1.3269630431178516
Energy: 1.1597763044572948
Energy: 1.330782662338096
Energy: 1.451034280869463
Energy: 1.6906956834712559
Energy: 1.3276495578011018
Energy: 1.3134964707112997
Energy: 1.3237443724825078
Energy: 1.3161320435350063
Energy: 1.502582542193891
Energy: 1.4090431791888176
Energy: 1.4808654937572288
Energy: 1.338302223552878
Energy: 1.329571159416813
Energy: 1.3221369852241314
Energy: 1.4850291630180144
Energy: 1.400927272828361
Energy: 1.4538525966052103
Energy: 1.4886033607128142
Energy: 1.149319060594379
Energy: 1.4974361055604164
Energy: 1.4543119019965547
Energy: 1.4043622500244162
Energy: 1.4974882999517214
Energy: 1.4511469609775816
Energy: 1.4924067120345497
Energy: 1.5009387096350169
Energy: 1.4872017495924394
Energy: 1.4025646943092953
Energy: 1.324368622410827
Energy: 1.4530725962863167
Energy: 1.590022315499695
Energy: 1.4539801375169354
Energy: 1.329883086589324
Energy: 1.4108282825864065
Energy: 1.3294056505702847
Energy: 1.453590590007433
Energy: 1.5259780031732613
Energy: 1.324323791428557
Energy: 1.3450059476126552
Energy: 1.4077036691803635
Energy: 1.3325592760930154
Energy: 1.32242157612868
Energy: 1.5095185486592466
Energy: 1.32356082219371
Energy: 1.3325589854715452
Energy: 1.1446257404723297
Energy: 1.1460135844374646
Energy: 1.4506173595640977
Energy: 1.4502471120280784
Energy: 1.321494294059264
Energy: 1.1462458522409407
Energy: 1.1361875588827153
Energy: 1.150861427801261
Energy: 1.4547051515167078
Energy: 1.5230810817246865
Energy: 1.164858339919166
Energy: 1.1674507785583006
Energy: 1.1386154606435661
Energy: 1.1491840266117717
Energy: 1.3425266781179683
Energy: 1.5218818941893422
Energy: 1.3416347249089153
Energy: 1.1449823510190251
Energy: 1.1489760421923016
Energy: 1.3267547783720683
Energy: 1.4531074010121643
Energy: 1.4507882537894645
Energy: 1.3251758425109954
Energy: 1.1483240773652101
Energy: 1.4021293095845053
Energy: 1.3278088661427678
Energy: 1.343459938315574
Energy: 1.3292149677211833
Energy: 1.3256930471817643
Energy: 1.3215637753038787
Energy: 1.4011942406245244
Energy: 1.326198217849866
Energy: 1.4920090237602919
Energy: 1.334814537303801
Energy: 1.3223908240496618
Energy: 1.33734267237761
Energy: 1.4053872234202816
Energy: 1.3355534362895667
Energy: 1.482655968423647
Energy: 1.4832710333973538
Energy: 1.4542181532122573
Energy: 1.3345562646209563
Energy: 1.4102514300254483
Energy: 1.4743487324740578
Energy: 1.4545991753272272
Energy: 1.4761060832167956
Energy: 1.4540529114822847
Energy: 1.4990826235731833
Energy: 1.680243813919894
Energy: 1.47617286077057
Energy: 1.3341708206847007
Energy: 1.3324149121965798
Energy: 1.4740370531444889
Energy: 1.4520477103189127
Energy: 1.40704278443595
Energy: 1.4542767849507856
Energy: 1.3313250828021495
Energy: 1.3290166540974508
Energy: 1.3213101451460447
Energy: 1.4955352881088986
Energy: 1.690602696328809
Energy: 1.3255474020594484
Energy: 1.3597265362909416
Energy: 1.3337057598374253
Energy: 1.330791483212119
Energy: 1.4542310680268784
Energy: 1.1381484214300583
Energy: 1.321869138160243
Energy: 1.3271435799017064
Energy: 1.1525077496697382
Energy: 1.3272270901382561
Energy: 1.4498309535960832

minimum gb energy = 1.1361875588827153 eV
minimum distance =  2.2299457023568 Angstroms
sigma value = 17


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

Energy: 2.3234176649214393
Energy: 1.477661380766731
Energy: 1.2827293962783892
Energy: 1.460859826327017
Energy: 1.4785855531258851
Energy: 1.6382371040012986
Energy: 1.2673104707603184
Energy: 1.4911172833410185
Energy: 1.2695377059410449
Energy: 1.2690345796291518
Energy: 1.2740910911429364
Energy: 1.639444555309488
Energy: 1.2805939303105356
Energy: 1.4876942557785866
Energy: 1.2870234254156439
Energy: 1.2611649287446784
Energy: 1.2845450682344695
Energy: 1.6463742717018837
Energy: 1.2504831055341616
Energy: 1.4781890412446328
Energy: 1.2744806223426113
Energy: 1.2682955899552195
Energy: 1.470413265038573
Energy: 1.4775677432169796
Energy: 1.2504850553135392
Energy: 1.4912356738849166
Energy: 1.4665756420093827
Energy: 1.2644277125924905
Energy: 1.4679500094952689
Energy: 1.4910768790131803
Energy: 1.2799906330390218
Energy: 1.4925834556853894
Energy: 1.48524120832115
Energy: 1.2243900843612356
Energy: 1.4880062793284878
Energy: 1.4803066502067297
Energy: 1.2685733297647699
Energy: 1.467004992353859
Energy: 1.4726972627389174
Energy: 1.2680420902170426
Energy: 1.474773876086632
Energy: 1.4660170105457562
Energy: 1.2723012810952756
Energy: 1.4869827859239464
Energy: 1.4952577776415261
Energy: 1.282526309919306
Energy: 1.486701217403709
Energy: 1.484225245150706
Energy: 1.2690556636953556
Energy: 1.4699029902242626
Energy: 1.6381153366137926
Energy: 1.6303146083267883
Energy: 1.477293915429454
Energy: 1.4687425478920149
Energy: 1.2692459438405805
Energy: 1.2728954527554963
Energy: 1.4911163219450385
Energy: 1.2722405797794032
Energy: 1.468693991052108
Energy: 1.2776515861454307
Energy: 1.2574369664001486
Energy: 1.2853655016152532
Energy: 1.4887075897606068
Energy: 1.2818160623598311
Energy: 1.294052562193792
Energy: 1.2851444117213124
Energy: 1.2535926771674102
Energy: 1.2776601497375608
Energy: 1.4922709768762599
Energy: 1.4499277333287945
Energy: 1.4671192775925097
Energy: 1.2743947588423667
Energy: 1.2809600262639864
Energy: 1.4768784992147679
Energy: 1.478908393961238
Energy: 1.4505546375111844
Energy: 1.4767280536720484
Energy: 1.4711707439704134
Energy: 1.2239954487049152
Energy: 1.4878555050447893
Energy: 1.4947827247356857
Energy: 1.282214507688166
Energy: 1.4918369081882739
Energy: 1.224999458125325
Energy: 1.270502738429851
Energy: 1.4665702451348266
Energy: 1.4668278704048965
Energy: 1.2880429108129707
Energy: 1.3518990919300533
Energy: 1.466894493544151
Energy: 1.2799188427274837
Energy: 1.4871096611198242
Energy: 1.487134617720314
Energy: 1.4684946412571993
Energy: 1.4933522813010494
Energy: 1.4735055709342564
Energy: 1.2633861189642752
Energy: 1.47583773684887
Energy: 1.4671924768969193
Energy: 1.282950469866971
Energy: 1.4689211643038447
Energy: 1.6303944338077543

minimum gb energy = 1.2239954487049152 eV
minimum distance =  2.23215915658222 Angstroms
sigma value = 17


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

Energy: 1.6838727572150656
Energy: 1.4792509058168124
Energy: 1.3257278952510905
Energy: 1.5222038229207648
Energy: 1.338173812203099
Energy: 1.772062050642826
Energy: 1.333948221427202
Energy: 1.4662750082760037
Energy: 1.3155042230281633
Energy: 1.3131577646125356
Energy: 1.316406013898954
Energy: 1.4725423839153797
Energy: 1.325725456308533
Energy: 1.4748154386398726
Energy: 1.3180351581366527
Energy: 1.316362471100042
Energy: 1.3170078714012408
Energy: 1.6616850955219813
Energy: 1.8425116105507264
Energy: 1.622630727816748
Energy: 1.3211472835187807
Energy: 1.3417084684947753
Energy: 1.319177660651474
Energy: 1.6218551564025174
Energy: 1.4348002404160085
Energy: 1.700792930776891
Energy: 1.6198237392318728
Energy: 1.3241768645403449
Energy: 1.7025496499789852
Energy: 1.6216829542550526
Energy: 1.342331231416154
Energy: 1.3214129164395751
Energy: 1.6693717281284282
Energy: 1.6866518630629481
Energy: 1.7225681371253336
Energy: 1.3362348355464213
Energy: 1.33053098644281
Energy: 1.3416357345684147
Energy: 1.6234649151093914
Energy: 1.321808854081744
Energy: 1.4758158068551328
Energy: 1.3339135901635717
Energy: 1.3107470486049495
Energy: 1.3141625732897495
Energy: 1.4727259530265067
Energy: 1.334606157940295
Energy: 1.3397279084407983
Energy: 1.3189671358819148
Energy: 1.3211987854893625
Energy: 1.3288076582097739
Energy: 1.5585866922009877
Energy: 1.6232364780062598
Energy: 1.4645003514050376
Energy: 1.318180948933958
Energy: 1.5002119426043048
Energy: 1.4616977865054324
Energy: 1.468500345530535
Energy: 1.420097000437391
Energy: 1.4675629729514947
Energy: 1.4619019761728944
Energy: 1.5014220954118147
Energy: 1.4684253343076734
Energy: 1.4925178646086672
Energy: 1.3242219819117078
Energy: 1.466995936921782
Energy: 1.4654747074149226
Energy: 1.4206090311045665
Energy: 1.4697398291640509
Energy: 1.556403524334393
Energy: 1.4195947049862043
Energy: 1.633516516959429
Energy: 1.467634195216209
Energy: 1.367124771493998
Energy: 1.6256288929439406
Energy: 1.627723932733481
Energy: 1.4172372238593045
Energy: 1.6255933030129763
Energy: 1.6528483948025405
Energy: 2.006465944442138
Energy: 1.5459089614889812
Energy: 1.5420624919954002
Energy: 1.2949900201167037
Energy: 1.548080268351874
Energy: 1.7675496764113523
Energy: 1.5692670454992452
Energy: 1.5541736455491362
Energy: 1.2887947763638012
Energy: 1.292327494909113
Energy: 1.2893251966546555
Energy: 1.625114445899858
Energy: 1.3675055335334099
Energy: 1.298357178309039
Energy: 1.3089671045779427
Energy: 1.2952979044504092
Energy: 1.3000603326233393
Energy: 1.6659364192655235
Energy: 1.8335803580684722
Energy: 1.6494364120900622
Energy: 1.2920264955899419
Energy: 1.2930053791663665
Energy: 1.2939174447153776
Energy: 1.6233530046638798
Energy: 1.8330465172656423
Energy: 1.648083951516286
Energy: 1.5608757535453148
Energy: 1.3047412930149296
Energy: 1.5576640703438245
Energy: 1.6205388790191546
Energy: 1.546073994990396
Energy: 1.6272156690041264
Energy: 1.620277276747289
Energy: 1.2989265722302143
Energy: 1.623487036530377
Energy: 1.3176833980042426
Energy: 1.500538120731321
Energy: 1.4618916913756934
Energy: 1.5599673595989818
Energy: 1.489637733103755
Energy: 1.624166302936046
Energy: 1.458233360933239
Energy: 1.4994525947239137
Energy: 1.470199343492725
Energy: 1.468672846802965
Energy: 1.3221463549097991
Energy: 1.4677417059490614
Energy: 1.462127453430375
Energy: 1.4602753172910463
Energy: 1.4668674368115497
Energy: 1.5744808856973396
Energy: 1.5137420874279546
Energy: 1.4610854326313418
Energy: 1.3166036810106416
Energy: 1.3137123567454394
Energy: 1.3177744416780548
Energy: 1.4664514407951326
Energy: 1.6583559100409155
Energy: 1.470008084315066
Energy: 1.3168209168705354
Energy: 1.3120921120225681
Energy: 1.3242759110022166
Energy: 1.4843733505062755
Energy: 1.3245125157548305
Energy: 1.325908728898923
Energy: 1.316466251516675
Energy: 1.3267317491602109
Energy: 1.320736379647718
Energy: 1.6210307080500366
Energy: 1.4218057170783749
Energy: 1.6200252799855963
Energy: 1.318034731608792
Energy: 1.3296926227520305
Energy: 1.7186742488917606
Energy: 1.6248774094655236
Energy: 1.4173696539447198
Energy: 1.6270041972532072
Energy: 1.6870335791146103
Energy: 2.0139493979470715
Energy: 1.6285463473114354
Energy: 1.7180508557262058
Energy: 1.326875393726888
Energy: 1.7192042825788412
Energy: 1.6697859096138783
Energy: 2.0274117038617687
Energy: 1.6215166584016303
Energy: 1.3181544318062333
Energy: 1.3215106715414573
Energy: 1.3223629960513206
Energy: 1.6212232942221223
Energy: 1.323373447109709
Energy: 1.3172802520086109
Energy: 1.3430870045947014
Energy: 1.3082687386247727
Energy: 1.3190340692579456
Energy: 1.4539631577928729
Energy: 1.833219032369537
Energy: 1.464753051938491
Energy: 1.3193453288935508
Energy: 1.3145881482447088
Energy: 1.3154046463803446
Energy: 1.6235139097370284
Energy: 1.8360522481364827
Energy: 1.4665199103760453
Energy: 1.4655438583119096
Energy: 1.4949643752161939
Energy: 1.467493876730879
Energy: 1.6300008875902607
Energy: 1.340074693340239
Energy: 1.4655728695068848
Energy: 1.4619087495506147
Energy: 1.3134501776843528
Energy: 1.47505731651989
Energy: 1.4684715334094576
Energy: 1.489232967563784
Energy: 1.5587096615746119
Energy: 1.461368368040978
Energy: 1.455526962595594
Energy: 1.462552186888696
Energy: 1.5605424563539743
Energy: 1.8391543917513864
Energy: 1.6232497278771587
Energy: 1.5318219777286073
Energy: 1.3669526685561777
Energy: 1.6257738309692247
Energy: 1.624912200638388
Energy: 1.3227762788518895
Energy: 1.5628460921898624
Energy: 1.6874338776649416
Energy: 1.5444538648408275
Energy: 1.6462961711913655
Energy: 1.5596886349262558
Energy: 1.3045776359133272
Energy: 1.2933478771553597
Energy: 1.6345364906323265
Energy: 1.544996336595446
Energy: 1.55473795354443
Energy: 1.2931869831343799
Energy: 1.290224825675809
Energy: 1.2956417591595697
Energy: 1.5877602790625494
Energy: 1.3664059461821394
Energy: 1.3033310203672812
Energy: 1.2935967507105977
Energy: 1.2995503801149666
Energy: 1.2923679041229479
Energy: 1.6243185275491878
Energy: 1.3159119464297484
Energy: 1.41667125569212
Energy: 1.292131391633988
Energy: 1.3779586470870129
Energy: 1.5424805129050554
Energy: 1.7183145426564965
Energy: 1.6242927570242076
Energy: 1.5457017903511006
Energy: 1.301946818287142
Energy: 1.6678077191851584
Energy: 1.6244770714085326
Energy: 1.6244058603463154
Energy: 1.3717857778455185
Energy: 1.6250411663084234
Energy: 1.6434898790704666
Energy: 1.4944292695143593
Energy: 1.6471273318959903
Energy: 1.4666480409553166
Energy: 1.5064592578026863
Energy: 1.5032777821294872
Energy: 1.5559980810762817
Energy: 1.4837038325396164
Energy: 1.5118970860848528
Energy: 1.4613333506922357
Energy: 1.3099273185556692
Energy: 1.4617441326305434
Energy: 1.5707453491277643
Energy: 1.6572745827838171
Energy: 1.4663443115356016
Energy: 1.4659023653955596
Energy: 1.5004134975200376
Energy: 1.4641636266906877
Energy: 1.5743142808823696

minimum gb energy = 1.2887947763638012 eV
minimum distance =  2.16626084135414 Angstroms
sigma value = 57


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

Energy: 1.9553818192000634
Energy: 1.6923304864626276
Energy: 1.3504529265764496
Energy: 1.524319838790222
Energy: 1.7694082893135574
Energy: 1.81257692316084
Energy: 1.3398781025870838
Energy: 1.5164057830526385
Energy: 1.3706255990185428
Energy: 1.3314544994380446
Energy: 1.379224467884252
Energy: 1.518292832451473
Energy: 1.3530438604595596
Energy: 1.515786967482481
Energy: 1.3606848634774367
Energy: 1.329805543215044
Energy: 1.3601658780335926
Energy: 1.6925076430229196
Energy: 1.644070288118777
Energy: 1.6816578377001556
Energy: 1.4023581294630272
Energy: 1.3667359072462044
Energy: 1.3515713294814626
Energy: 1.6864498754076342
Energy: 1.6564596428880742
Energy: 1.6665564208226094
Energy: 1.6852145244963384
Energy: 1.6516192550808177
Energy: 1.6685049131117322
Energy: 1.6662492336049863
Energy: 1.3596838740244772
Energy: 1.3835268836736105
Energy: 1.6495972744654133
Energy: 1.6539882916417816
Energy: 1.7304933671617766
Energy: 1.366888433721208
Energy: 1.3383686290187153
Energy: 1.344407182816084
Energy: 1.6971769020393503
Energy: 1.6680987757709325
Energy: 1.5493190120532605
Energy: 1.3505541486079997
Energy: 1.340855937293828
Energy: 1.348213796970424
Energy: 1.5636916290190943
Energy: 1.3503550912650208
Energy: 1.3459453139161246
Energy: 1.3535433281152156
Energy: 1.3458852826780556
Energy: 1.3569939480267972
Energy: 1.6726486474795508
Energy: 1.5140953686385048
Energy: 1.5220263361475743
Energy: 1.355575467010252
Energy: 1.6545057369222895
Energy: 1.5195036834409894
Energy: 1.5228265676257462
Energy: 1.3491383513447244
Energy: 1.5221862952371454
Energy: 1.5367979221634467
Energy: 1.3620148444139977
Energy: 1.517513187596956
Energy: 1.5556807254664262
Energy: 1.3626132455996738
Energy: 1.5167789033625454
Energy: 1.5128920895317464
Energy: 1.3557282310572174
Energy: 1.5429318014931257
Energy: 1.518211944828478
Energy: 1.3412843353269321
Energy: 1.5228267993521327
Energy: 1.5416417791885584
Energy: 1.3712902316918913
Energy: 1.5346002645883312
Energy: 1.5177346473078501
Energy: 1.3498600725563976
Energy: 1.5209631495961764
Energy: 1.5481087414535188
Energy: 1.9450322124212966
Energy: 1.6340661486511265
Energy: 1.5985746713565603
Energy: 1.3620498803673786
Energy: 1.6009078873206943
Energy: 1.8185591610886236
Energy: 1.466714635411533
Energy: 1.515706222263
Energy: 1.3623654083646288
Energy: 1.3370449317412127
Energy: 1.3752213770630743
Energy: 1.5221973182092952
Energy: 1.35322156322515
Energy: 1.5147481400767342
Energy: 1.353576538739028
Energy: 1.325180870378334
Energy: 1.3567000985657798
Energy: 1.6943799855224344
Energy: 1.6435728480522576
Energy: 1.6810515208109293
Energy: 1.3536541661139088
Energy: 1.3582730985189981
Energy: 1.348379867859274
Energy: 1.6766518135621293
Energy: 1.6563184363866712
Energy: 1.6842024667454687
Energy: 1.6875805491293097
Energy: 1.371186111669759
Energy: 1.6853778252885454
Energy: 1.6693254917470375
Energy: 1.3421014949669448
Energy: 1.729647713987399
Energy: 1.6484819466316925
Energy: 1.645480752979322
Energy: 1.7312917845251932
Energy: 1.3553373670522109
Energy: 1.3365270308205837
Energy: 1.3546997291717595
Energy: 1.6690828566002567
Energy: 1.657412840125516
Energy: 1.5443966668937934
Energy: 1.3333380687601872
Energy: 1.3354458606615327
Energy: 1.351942102214689
Energy: 1.5560685054108578
Energy: 1.3558122189478048
Energy: 1.3600988333166808
Energy: 1.3355083042990041
Energy: 1.34194928670784
Energy: 1.359703402052204
Energy: 1.6707305681309799
Energy: 1.546772290769934
Energy: 1.5233036016363806
Energy: 1.345347386477351
Energy: 1.3635255994048259
Energy: 1.5258260979098295
Energy: 1.5203985183765456
Energy: 1.3432127888898904
Energy: 1.5194122028992376
Energy: 1.5469507107640001
Energy: 1.3661579932011778
Energy: 1.519938758285843
Energy: 1.5924568365417375
Energy: 1.3651865642452692
Energy: 1.5169231200765256
Energy: 1.513854918163505
Energy: 1.3600177176089794
Energy: 1.5478887794828469
Energy: 1.5201519714203058
Energy: 1.3445639132524632
Energy: 1.5722954628640973
Energy: 1.5493584664092885
Energy: 1.3692198821054065
Energy: 1.5169459205171576
Energy: 1.5188546242550496
Energy: 1.3379253654927212
Energy: 1.5232023209911296
Energy: 1.4955610732822797
Energy: 1.9382347380994969
Energy: 1.5218465640282521
Energy: 1.6101259113628728
Energy: 1.3586775222473617
Energy: 1.558898255219677
Energy: 1.654094078404682

minimum gb energy = 1.325180870378334 eV
minimum distance =  2.17478396276064 Angstroms
sigma value = 43


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

Energy: 1.4025202938607346
Energy: 1.396668390514891
Energy: 1.3844575655787115
Energy: 1.3805068506461835
Energy: 1.6335059098370164
Energy: 1.7532619479729163
Energy: 1.412558333927555
Energy: 1.3795401390047874
Energy: 1.3803938813586134
Energy: 1.3715163354775264
Energy: 1.3901051625003853
Energy: 1.531622414057155
Energy: 1.5124517902504588
Energy: 1.697041836953639
Energy: 1.378691109036801
Energy: 1.373170179326217
Energy: 1.3817562441966034
Energy: 1.6652297726039862
Energy: 1.403624184021618
Energy: 1.6686390398619744
Energy: 1.3952588351518511
Energy: 1.3913320749573954
Energy: 1.548472234987993
Energy: 1.6658095707356018
Energy: 1.6115408769538964
Energy: 1.6648481698722493
Energy: 1.6621693828807909
Energy: 1.4087373426433167
Energy: 1.6632783625194534
Energy: 1.6655111115731127
Energy: 1.3594574114649551
Energy: 1.3684395410004506
Energy: 1.7587509992081634
Energy: 1.3269085844409538
Energy: 1.583219037378214
Energy: 1.3691461658380333
Energy: 1.342032908536519
Energy: 1.3531244066817714
Energy: 1.6624938428196288
Energy: 1.4491486700324911
Energy: 1.3451933868065449
Energy: 1.3489160513027594
Energy: 1.3424625589777028
Energy: 1.3472409449509666
Energy: 1.5457997231542442
Energy: 1.4453551192441705
Energy: 1.3463884934125276
Energy: 1.3452086292496133
Energy: 1.365245904367418
Energy: 1.369600782689592
Energy: 1.6674025286496013
Energy: 1.5325741850552002
Energy: 1.717879167973595
Energy: 1.3598618197070282
Energy: 1.7168821590933079
Energy: 1.6657891489488363
Energy: 1.6627743144755103
Energy: 1.4453097966359771
Energy: 1.6618274228195606
Energy: 1.6658673108986166
Energy: 1.8285361401268554
Energy: 1.6617889647605555
Energy: 1.390372004495926
Energy: 1.3905215896457475
Energy: 1.5378012482142631
Energy: 1.61585482924808
Energy: 1.6158789292997886
Energy: 1.6946304243193748
Energy: 1.3775973370232513
Energy: 1.3753856211791538
Energy: 1.3780407849263248
Energy: 1.6654571712644233
Energy: 1.5325482653424995
Energy: 1.3783921359039666
Energy: 1.3740553043794654
Energy: 1.3727777275883608
Energy: 1.3732825517686529
Energy: 1.5804626787610214
Energy: 1.6092017667132843
Energy: 1.5620646140575767
Energy: 1.391048843796947
Energy: 1.3891295008980542
Energy: 1.3879794810300263
Energy: 1.572704608998602
Energy: 1.447189718851766
Energy: 1.5295500518381875
Energy: 1.52921782239816
Energy: 1.374579201561792
Energy: 1.5273608768270142
Energy: 1.5275033617481428
Energy: 1.615631344724334
Energy: 1.5251887388881424
Energy: 1.5268044058342656
Energy: 1.3729722768326151
Energy: 1.5258041320993787
Energy: 1.5259495272145223
Energy: 1.614961565559872
Energy: 1.5289446100775361
Energy: 1.547804454871788
Energy: 1.5136861036435074
Energy: 1.4874187254624414
Energy: 1.5240352774757921
Energy: 1.6135170674443287
Energy: 1.5265437698924917
Energy: 1.5258286591391919
Energy: 1.4076343904855542
Energy: 1.5265315874961252
Energy: 1.5272512657458186
Energy: 1.5678282599492481
Energy: 1.639767820122421
Energy: 1.377391870461533
Energy: 1.752282480144198
Energy: 1.552839866705931
Energy: 1.3824305942087183
Energy: 1.370768413521176
Energy: 1.3981451736015182
Energy: 1.527446191882784
Energy: 1.4080298523943091
Energy: 1.3797512530497775
Energy: 1.3749596294601498
Energy: 1.3712774274937358
Energy: 1.3767881966965905
Energy: 1.687403045987117
Energy: 1.515091957264744
Energy: 1.3772679108083843
Energy: 1.3779204218259846
Energy: 1.3895973187601216
Energy: 1.3946219965881572
Energy: 1.666089275593233
Energy: 1.469799447920266
Energy: 1.6608524185584568
Energy: 1.3939333060078274
Energy: 1.4081275478860704
Energy: 1.661343980497966
Energy: 1.6666418385029018
Energy: 1.3748254592232219
Energy: 1.6665500740787398
Energy: 1.6606688113237351
Energy: 1.822273499673806
Energy: 1.5836892694446196
Energy: 1.3742413586817546
Energy: 1.3675425934951124
Energy: 1.584279777238109
Energy: 1.7615685306215245
Energy: 1.452507858664673
Energy: 1.5466125662711265
Energy: 1.3453289150111312
Energy: 1.343525798516847
Energy: 1.3447568001307497
Energy: 1.697733381011554
Energy: 1.447870090494927
Energy: 1.5455419860797834
Energy: 1.344362885620305
Energy: 1.3435915341789415
Energy: 1.3458369954422806
Energy: 1.7509676290938239
Energy: 1.6069197942590787
Energy: 1.6665786311882087
Energy: 1.3716889259324194
Energy: 1.3610581211820831
Energy: 1.366798828062532
Energy: 1.6406383339425017
Energy: 1.5460513416182664
Energy: 1.6623008948082285
Energy: 1.6661719360080287
Energy: 1.3755455513474364
Energy: 1.6649398770256856
Energy: 1.6617119383139352
Energy: 1.3883078237806192
Energy: 1.3941538290547952
Energy: 1.6693465868848814
Energy: 1.6190644688491587
Energy: 1.6934735576334312
Energy: 1.3894755104694039
Energy: 1.374977165363116
Energy: 1.3889225226494741
Energy: 1.6642560121628787
Energy: 1.6150597967656342
Energy: 1.5636043932648247
Energy: 1.3768839149624938
Energy: 1.371335759718564
Energy: 1.3738550090666395
Energy: 1.5288645331177149
Energy: 1.4122882485040242
Energy: 1.3733465932052922
Energy: 1.374751729236217
Energy: 1.391666372486326
Energy: 1.396600250282223
Energy: 1.7216044818974445
Energy: 1.506194018385564
Energy: 1.3916798300404036
Energy: 1.3899709749313103
Energy: 1.62400599658103
Energy: 1.5297991509232711
Energy: 1.5260024448391118
Energy: 1.4449175130386924
Energy: 1.5265665192661801
Energy: 1.5285091531959993
Energy: 1.4041231431313346
Energy: 1.528057088372881
Energy: 1.5268619176046057
Energy: 1.6181393949804939
Energy: 1.5868793251806235
Energy: 1.5249557154818116
Energy: 1.5127852842741425
Energy: 1.525694690667137
Energy: 1.5271621619085005
Energy: 1.3734996142453713
Energy: 1.5259515379701754
Energy: 1.547689128454501
Energy: 1.413526743262219
Energy: 1.5271597238370596
Energy: 1.528767082457949
Energy: 1.3751161562733
Energy: 1.5277343356646034
Energy: 1.580223657345213

minimum gb energy = 1.3269085844409538 eV
minimum distance =  2.20364774388033 Angstroms
sigma value = 81


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

Energy: 1.3460191085627262
Energy: 1.6251008572017198
Energy: 1.5601640015016864
Energy: 1.5600079213579072
Energy: 1.6234283225799282
Energy: 1.3732258034978282
Energy: 1.3944604301762487
Energy: 1.4320393676820784
Energy: 1.3796500120261221
Energy: 1.381164299186084
Energy: 1.3903942633084432
Energy: 1.4312379502265273
Energy: 1.441468310969293
Energy: 1.4329722688121207
Energy: 1.3803214286496954
Energy: 1.3810672170732954
Energy: 1.3797778046478155
Energy: 1.4307773806393318
Energy: 1.4402761991887547
Energy: 1.4308402213983438
Energy: 1.3797286365310262
Energy: 1.3799190656321478
Energy: 1.43178882543169
Energy: 1.4348217786213187
Energy: 1.439111814617324
Energy: 1.4342148690842083
Energy: 1.4299600360946283
Energy: 1.372889937352065
Energy: 1.4341787614121928
Energy: 1.433633622020009
Energy: 1.393782225465301
Energy: 1.5556129758238033
Energy: 1.3739905127853356
Energy: 1.3533885530574354
Energy: 1.431668306525127
Energy: 1.3849997600345259
Energy: 1.3913895576889002
Energy: 1.3977390470933528
Energy: 1.430587910866054
Energy: 1.3820862340433777
Energy: 1.5582573365136596
Energy: 1.383469226711402
Energy: 1.3916212159743337
Energy: 1.3784948350556243
Energy: 1.430513541479319
Energy: 1.4332172941652324
Energy: 1.430486564209401
Energy: 1.3870117525248105
Energy: 1.5639670765489555
Energy: 1.3806345660993113
Energy: 1.4314596978090568
Energy: 1.4383149218277913
Energy: 1.4339685777576778
Energy: 1.3818939107300932
Energy: 1.3818145342670598
Energy: 1.4315689621939685
Energy: 1.4307531270801044
Energy: 1.4305048803075102
Energy: 1.4341662212760282
Energy: 1.4304180267428845

minimum gb energy = 1.3460191085627262 eV
minimum distance =  2.24529714921579 Angstroms
sigma value = 3


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

Energy: 1.634659155085981
Energy: 1.491630777119789
Energy: 1.4928085445233668
Energy: 1.5574200160511689
Energy: 1.4919730526899782
Energy: 1.7710863311176963
Energy: 1.5146180657905817
Energy: 1.3571305216525977
Energy: 1.496363461945243
Energy: 1.4914708996968817
Energy: 1.355445577942776
Energy: 1.5446840564942
Energy: 1.5175133911747014
Energy: 1.423654768019984
Energy: 1.3550333037897204
Energy: 1.490948652334832
Energy: 1.3605230272289068
Energy: 1.491827756701497
Energy: 1.4887212339007585
Energy: 1.5232589572700905
Energy: 1.3662976297427045
Energy: 1.5131826000126505
Energy: 1.5126116549014237
Energy: 1.5168346764331455
Energy: 1.4875945744858843
Energy: 1.521598398678695
Energy: 1.6311824855382084
Energy: 1.7091515041702645
Energy: 1.5519512614973583
Energy: 1.5083829894264493
Energy: 1.608737622944289
Energy: 1.4897038234355886
Energy: 1.607522829878661
Energy: 1.6803114827642514
Energy: 1.5110362533197599
Energy: 1.5612610105885907
Energy: 1.6244732893828142
Energy: 1.52018591516288
Energy: 1.7393475557247855
Energy: 1.5142223009077163
Energy: 1.6938305633566413
Energy: 1.524349282392792
Energy: 1.6252885363213938
Energy: 1.521257292967371
Energy: 1.3672893898434693
Energy: 1.3617932151679624
Energy: 1.3606079098597594
Energy: 1.5234560281020437
Energy: 1.7125664490220758
Energy: 1.358734490320969
Energy: 1.356171373141987
Energy: 1.3378391768626372
Energy: 1.357555282116626
Energy: 1.7031609766918174
Energy: 1.7132743137557407
Energy: 1.3549989526406476
Energy: 1.3562161014558678
Energy: 1.3634183844874928
Energy: 1.3528333414754894
Energy: 1.625858328796131
Energy: 1.6055505364476363
Energy: 1.6010968352422672
Energy: 1.6189732405325272
Energy: 1.3313699435863582
Energy: 1.6205081788174114
Energy: 1.7315403880567446
Energy: 1.7125784246547309
Energy: 1.6733659634092277
Energy: 1.3577404228472472
Energy: 1.7425586976380547
Energy: 1.7269145696258499
Energy: 1.7367731001420394
Energy: 1.3285721046783576
Energy: 1.3576522204725108
Energy: 1.3571857676171792
Energy: 1.7431787672545067
Energy: 1.3554794836165796
Energy: 1.3670527118513895
Energy: 1.3256088894347855
Energy: 1.3543293352151096
Energy: 1.3619857294880586
Energy: 1.712076191878292
Energy: 1.35534981942967
Energy: 1.3445862551847505
Energy: 1.3282854005725209
Energy: 1.3576113068756832
Energy: 1.362141742251221
Energy: 1.6996934273985382
Energy: 1.497313476585728
Energy: 1.362138195307401
Energy: 1.357491011690367
Energy: 1.5804271838773265
Energy: 1.7385595267341047
Energy: 1.7002745066413345
Energy: 1.57625916267864
Energy: 1.513573273936378
Energy: 1.6675041009822968
Energy: 1.4999705220314075
Energy: 1.7205146090515322
Energy: 1.6177220080273758
Energy: 1.5034902581995082
Energy: 1.3628193904634547
Energy: 1.7458525758966836
Energy: 1.3555025193491161
Energy: 1.5098148319132705
Energy: 1.4919670220488128
Energy: 1.3519615186713756
Energy: 1.676782552219139
Energy: 1.5113682811142335
Energy: 1.5144355917789778
Energy: 1.5198534554132719
Energy: 1.5151106864617818
Energy: 1.520868968199478
Energy: 1.4908522627808258
Energy: 1.488523305467963
Energy: 1.3618668581676632
Energy: 1.361684823887359
Energy: 1.4951516646787062
Energy: 1.476409469875569
Energy: 1.518764649687214
Energy: 1.4870597554747302
Energy: 1.5201721285420537
Energy: 1.5170656616801923
Energy: 1.513192498885448
Energy: 1.5184025287816634
Energy: 1.5249413703175478
Energy: 1.4902806712885939
Energy: 1.4918523587770531
Energy: 1.5852280838718587
Energy: 1.5341482970779707
Energy: 1.4990949620331833
Energy: 1.4913157744746082
Energy: 1.6982038631303307
Energy: 1.5139951222849959
Energy: 1.6320649812569994
Energy: 1.7094273665372837
Energy: 1.6974153757408537
Energy: 1.7205761655883227
Energy: 1.6273179898763752
Energy: 1.7454030788499433
Energy: 1.3720036202230559
Energy: 1.3661721403421256
Energy: 1.607202099997801
Energy: 1.6788442173184241
Energy: 1.698520857828778
Energy: 1.4971278782245354
Energy: 1.35278933651635
Energy: 1.3559826950822857
Energy: 1.358342975572669
Energy: 1.7204380469310292
Energy: 1.7143241710014174
Energy: 1.3538176193252875
Energy: 1.3588670043156172
Energy: 1.352997049806924
Energy: 1.3545552067475477
Energy: 1.4664028242611242
Energy: 1.6063487293698517
Energy: 1.6033528587287336
Energy: 1.3656225413438126
Energy: 1.3698451152994
Energy: 1.537065187865527
Energy: 1.734205379914878
Energy: 1.7131763763717716
Energy: 1.5361832051330098
Energy: 1.5376543286656685
Energy: 1.7433236796339173
Energy: 1.5346532800890802
Energy: 1.6672959896478037
Energy: 1.3289134062473738
Energy: 1.3615588301229464
Energy: 1.7660342092616714
Energy: 1.3297795354155575
Energy: 1.5879491507652876
Energy: 1.3679983968353686
Energy: 1.3279393055411752
Energy: 1.3557366989183417
Energy: 1.3548323823529658
Energy: 1.7129913662746414
Energy: 1.3547724463154667
Energy: 1.3527000036031918
Energy: 1.3298585543411692
Energy: 1.3574238424040725
Energy: 1.4974732839605045
Energy: 1.7039364324749415
Energy: 1.3562133592527805
Energy: 1.3570143011738367
Energy: 1.3598011113751138
Energy: 1.5136070322971527
Energy: 1.736519963018552
Energy: 1.7390814625367603
Energy: 1.573037668073713
Energy: 1.367762638541276
Energy: 1.6729101500658015
Energy: 1.6319591785247953
Energy: 1.5090125009192545
Energy: 1.6995758163044234
Energy: 1.3613143022593817
Energy: 1.6761604042062888

minimum gb energy = 1.3256088894347855 eV
minimum distance =  2.22119264282008 Angstroms
sigma value = 67


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

Energy: 2.022291436655758
Energy: 1.8345671341351397
Energy: 1.585624133902598
Energy: 1.5512588092434234
Energy: 1.547214932518211
Energy: 1.4646697081854672
Energy: 1.5062961297398936
Energy: 1.402560685841819
Energy: 1.5097056914839602
Energy: 1.501927991341204
Energy: 1.497503738578904
Energy: 1.6131472180428195
Energy: 1.502305868394775
Energy: 1.3576689163641105
Energy: 1.547505350118438
Energy: 1.5047040404974492
Energy: 1.403824699813021
Energy: 1.503556805063652
Energy: 1.5157562242704712
Energy: 1.5531966520177072
Energy: 1.4303960520201138
Energy: 1.4385428375162592
Energy: 1.389196308974519
Energy: 1.5447658950072976
Energy: 1.5042126074849147
Energy: 1.5647756758073073
Energy: 1.598643625041667
Energy: 1.4567224618720287
Energy: 1.597220451015972
Energy: 1.5291410812173767
Energy: 1.5484277315895973
Energy: 1.558828729131991
Energy: 1.8591687575588218
Energy: 1.4029463173477397
Energy: 1.5077247516855357
Energy: 1.5561811422542693
Energy: 1.7339869182656507
Energy: 1.5569248102353845
Energy: 1.7663803724784004
Energy: 1.4274201563987132
Energy: 1.5651768687558414
Energy: 1.5513944724923554
Energy: 1.6649536363778292
Energy: 1.5528546715536908
Energy: 1.399666499734652
Energy: 1.383596806389583
Energy: 1.383232082306454
Energy: 1.7903382088232207
Energy: 1.6476953178669826
Energy: 1.2848525477348915
Energy: 1.3947650225916657
Energy: 1.3790077412128983
Energy: 1.4025692922869677
Energy: 1.5947258029205986
Energy: 1.5959918912479254
Energy: 1.4487572612850455
Energy: 1.4475436129454542
Energy: 1.3789842875148004
Energy: 1.28626961893616
Energy: 1.3499457325970687
Energy: 1.5953983517032044
Energy: 1.7379829158175661
Energy: 1.7472187952993776
Energy: 1.4682698487487982
Energy: 1.7478858961003254
Energy: 1.4689607938862568
Energy: 1.5923934894149436
Energy: 1.5878117130623541
Energy: 1.2807783506959254
Energy: 1.681045489032008
Energy: 1.2835226805852227
Energy: 1.4960301604924815
Energy: 1.3958883213891886
Energy: 1.2796972446033104
Energy: 1.2795112839451526
Energy: 1.6550885380080014
Energy: 1.2799248700835866
Energy: 1.2779400760678579
Energy: 1.3901644729106393
Energy: 1.4517793260172822
Energy: 1.4503861920086252
Energy: 1.5646677161146039
Energy: 1.450362247106771
Energy: 1.4515187866673773
Energy: 1.3862885265817062
Energy: 1.4435504955998129
Energy: 1.6562023029095634
Energy: 1.5681006654739853
Energy: 1.4713934297281634
Energy: 1.2801553699957815
Energy: 1.3874342040785987
Energy: 1.438889677413649
Energy: 1.6234369233979713
Energy: 1.5683911280248752
Energy: 1.6194156154699615
Energy: 1.3930441013721764
Energy: 1.6907297091554796
Energy: 1.4813610971064235
Energy: 1.5983091363939492
Energy: 1.574891373557516
Energy: 1.5694011508250825
Energy: 1.7240426006583616
Energy: 1.6913502950103285
Energy: 1.4803629660358464
Energy: 1.761386627728678
Energy: 1.6620524361459759
Energy: 1.5610534630063502
Energy: 1.3269905440556196
Energy: 1.3222277640283688
Energy: 1.3146399794147505
Energy: 1.7887872905938969
Energy: 1.7902100763675712
Energy: 1.8426922890928497
Energy: 1.3449420507694554
Energy: 1.3099882583210996
Energy: 1.3216382428915159
Energy: 1.3221012097153033
Energy: 1.6706451134270908
Energy: 1.319875428077489
Energy: 1.3250248454831135
Energy: 1.3156902227522802
Energy: 1.3225192282539657
Energy: 1.4215591134229442
Energy: 1.6501392822411116
Energy: 1.3249357244517443
Energy: 1.3248870880932468
Energy: 1.321971757491738
Energy: 1.3757715340161807
Energy: 1.84182283872001
Energy: 1.5029075422121827
Energy: 1.6880006070143871
Energy: 1.3531351405234542
Energy: 1.5720293625214024
Energy: 1.449082491268238
Energy: 1.532913868713785
Energy: 1.7260843732076552
Energy: 1.4042901653905302
Energy: 1.4032562371516628

minimum gb energy = 1.2779400760678579 eV
minimum distance =  2.22969979302056 Angstroms
sigma value = 33


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

Energy: 1.8574483438933085
Energy: 1.7439019319490994
Energy: 1.5837112971712903
Energy: 1.5954637471164295
Energy: 1.5872464467240117
Energy: 1.8777093218367682
Energy: 1.3458941131834925
Energy: 1.4111320464230404
Energy: 1.591546011978868
Energy: 1.5550143049373184
Energy: 1.4802261114316952
Energy: 1.4773318881380728
Energy: 1.3484366715139489
Energy: 1.373628355554799
Energy: 1.586309805765816
Energy: 1.4633022236265354
Energy: 1.4730805608977575
Energy: 1.3469157649860435
Energy: 1.334485639257278
Energy: 1.3629452307909413
Energy: 1.3672622619473547
Energy: 1.5540265772795163
Energy: 1.3429238980746174
Energy: 1.3605090262294777
Energy: 1.3466580881128207
Energy: 1.3482216560897786
Energy: 1.4831860739016116
Energy: 1.4815804990439434
Energy: 1.4068644223346367
Energy: 1.3484177177347523
Energy: 1.3487234212009778
Energy: 1.5068830811513019
Energy: 1.6985084835947486
Energy: 1.6249843423074029
Energy: 1.6942814190415736
Energy: 1.3652889646764874
Energy: 1.6067210873379483
Energy: 1.3920849891794587
Energy: 1.6930138779716843
Energy: 1.4830279069086603
Energy: 1.6652987304993874
Energy: 1.4362907517041885
Energy: 1.6059775265762712
Energy: 1.3637749274801598
Energy: 1.3388560001101586
Energy: 1.3465506605700095
Energy: 1.3424315690688013
Energy: 1.4912133942556733
Energy: 1.5830008679544725
Energy: 1.2367408927306598
Energy: 1.3666911146730638
Energy: 1.332165941806615
Energy: 1.3637592759785357
Energy: 1.5298082220569313
Energy: 1.5466790336788403
Energy: 1.3633485182330383
Energy: 1.375559465793782
Energy: 1.3336994927284003
Energy: 1.3398031842090155
Energy: 1.5475728720558888
Energy: 1.5464162464128755
Energy: 1.6424636175883571
Energy: 1.3604429610856335
Energy: 1.3516357696548513
Energy: 1.4385444768472262
Energy: 1.6389461481646872
Energy: 1.5531714147396634
Energy: 1.5484877476790626
Energy: 1.2438774949730176
Energy: 1.4888680423136316
Energy: 1.34024404066402
Energy: 1.5497275008812015
Energy: 1.6835918945509372
Energy: 1.757467055486457
Energy: 1.244317227763567
Energy: 1.4884201503817192
Energy: 1.2406065656905896
Energy: 1.6221469399550112
Energy: 1.6914403190827005
Energy: 1.8384172842548687
Energy: 1.2470597611663023
Energy: 1.237881044030681
Energy: 1.3424141486130614
Energy: 1.7833085768378254
Energy: 1.658930299978547
Energy: 1.2649718019395682
Energy: 1.252036539470965
Energy: 1.2437284763137084
Energy: 1.253826905522937
Energy: 1.5634192354562801
Energy: 1.6436502044924743
Energy: 1.2376425627415757
Energy: 1.2417498369501998
Energy: 1.2340920343428725
Energy: 1.2634005172897913
Energy: 1.6239608591142989
Energy: 1.558510915049367
Energy: 1.6606436834872282
Energy: 1.2668922752935798
Energy: 1.2471944109259137
Energy: 1.2764151608619192
Energy: 1.638344130746272
Energy: 1.6835517291197093
Energy: 1.4756954630778314
Energy: 1.4804721944041692
Energy: 1.350392387758778
Energy: 1.6608937860749906
Energy: 1.5480193427987807
Energy: 1.585140478988835
Energy: 1.592720515556367
Energy: 1.4500327538864792
Energy: 1.8753916644044875
Energy: 1.7258663128498433
Energy: 1.5660377782253938
Energy: 1.5521490766625738
Energy: 1.4821183800257998
Energy: 1.4135197644513549
Energy: 1.4505718793274183
Energy: 1.4802271887932883
Energy: 1.5487685033115535
Energy: 1.431337135214135
Energy: 1.5865640873936357
Energy: 1.3698863459534785
Energy: 1.3500417497249095
Energy: 1.4380185012620896
Energy: 1.6302477107392948
Energy: 1.5548411020932964
Energy: 1.3612617701607093
Energy: 1.363545226214284
Energy: 1.3644974246228516
Energy: 1.3621418605590754
Energy: 1.5505435021524616
Energy: 1.483476559233291
Energy: 1.3627493484546818
Energy: 1.3444948323482828
Energy: 1.3465962544101986
Energy: 1.3835047347007692
Energy: 1.6661876133914877
Energy: 1.677436873651947
Energy: 1.8287011347732876
Energy: 1.3672068292444302
Energy: 1.353460375707157
Energy: 1.3443573750963687
Energy: 1.8333567081020017
Energy: 1.4806555187434336
Energy: 1.6825887326819386
Energy: 1.3547318764227758
Energy: 1.50938141531222
Energy: 1.3768021062335627
Energy: 1.6633791004722567
Energy: 1.3489337197855362
Energy: 1.3474553841580699
Energy: 1.8747892237178754
Energy: 1.6922561278972499
Energy: 1.314404864630099
Energy: 1.34723478971692
Energy: 1.333320442133066
Energy: 1.3600187908716055
Energy: 1.428504924989769
Energy: 1.5828647068960597
Energy: 1.3775451943481976
Energy: 1.36338119327898
Energy: 1.332392532518205
Energy: 1.3385146868483149
Energy: 1.4853912662543467
Energy: 1.5477308903920353
Energy: 1.3614037077008536
Energy: 1.3652836614893529
Energy: 1.3465912877644404
Energy: 1.3776153794318318
Energy: 1.6325753109711163
Energy: 1.6397929355471694
Energy: 1.6453503448625557
Energy: 1.343912370600039
Energy: 1.5247950594867348
Energy: 1.3365020961231673
Energy: 1.5494368249242076
Energy: 1.5491290798590052
Energy: 1.547402193624316
Energy: 1.3375892671338208
Energy: 1.5726539023219528
Energy: 1.251644873627524
Energy: 1.6216060454110734
Energy: 1.6797935745849786
Energy: 1.7571702955355208
Energy: 1.3544568981291314
Energy: 1.3470274493991508
Energy: 1.338173055284001
Energy: 1.6375145358616265
Energy: 1.697340041574151
Energy: 1.6339992992162236
Energy: 1.353904160321004
Energy: 1.2374850338013614
Energy: 1.2545416729805414
Energy: 1.4298631148286578
Energy: 1.6583797170241008
Energy: 1.2543946943189586
Energy: 1.2499480814994977
Energy: 1.2305801252844382
Energy: 1.2438561080274355
Energy: 1.2378469273117414
Energy: 1.666315743068526
Energy: 1.2359385213441771
Energy: 1.2374836348089082
Energy: 1.2430167873727915
Energy: 1.2682935131969248
Energy: 1.5899461089003928
Energy: 1.5745967608062557
Energy: 1.3649772927267028
Energy: 1.2606699730105384
Energy: 1.3403586553359965
Energy: 1.6589386946604086
Energy: 1.6385198459304233
Energy: 1.6852923918235887
Energy: 1.4732427949451776
Energy: 1.3533064816298006
Energy: 1.5957686131673363
Energy: 1.3926595127482118
Energy: 1.6232303679781253
Energy: 1.594977397668241
Energy: 1.7258676949990586
Energy: 1.877226013200489

minimum gb energy = 1.2305801252844382 eV
minimum distance =  2.22111366341629 Angstroms
sigma value = 41


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

Energy: 1.8990416893434727
Energy: 1.7537956537907857
Energy: 1.3387554700029547
Energy: 1.3545061289102835
Energy: 1.3419751707631578
Energy: 1.7507388416372083
Energy: 1.3293750308407883
Energy: 1.0985158363756735
Energy: 1.0981480097758276
Energy: 1.3755696282652383
Energy: 1.1000613467778124
Energy: 1.3643838113404045
Energy: 1.3284617144715067
Energy: 1.1002519891768174
Energy: 1.118124375671171
Energy: 1.0395729308062054
Energy: 1.1027362326981627
Energy: 1.3734502567790723
Energy: 1.3693339041162509
Energy: 1.4201607444351945
Energy: 1.100157935134191
Energy: 1.3262386876021248
Energy: 1.1042348564884246
Energy: 1.4208864279088154
Energy: 1.3269654756791296
Energy: 1.371668452232138
Energy: 1.4393324387994881
Energy: 1.330062185162596
Energy: 1.4264347100815353
Energy: 1.3482866490587824
Energy: 1.337042688104973
Energy: 1.3568988441010512
Energy: 1.7292714048152622
Energy: 1.4015090510555013
Energy: 1.7307362004079823
Energy: 1.3538961982150388
Energy: 1.5990143613509282
Energy: 1.4265420600390522
Energy: 1.1036841480738477
Energy: 1.3407546251815783
Energy: 1.4615662217806062
Energy: 1.6285642403644123
Energy: 1.6005323551375328
Energy: 1.4327281701338006
Energy: 1.3553357200135812
Energy: 1.332344212199129
Energy: 1.101482929231026
Energy: 1.7569431967625746
Energy: 1.3348389459361534
Energy: 1.1024649806472437
Energy: 1.0997066803770974
Energy: 1.0403694169771283
Energy: 1.107550158294872
Energy: 1.3571272180367597
Energy: 1.3407877837747484
Energy: 1.1048455913788178
Energy: 1.0995811444944308
Energy: 1.3767963613313303
Energy: 1.1022877239755122
Energy: 1.361997673963607
Energy: 1.339891444323892
Energy: 1.4279740517841073
Energy: 1.0998099023366492
Energy: 1.3690858242801325
Energy: 1.444034483192008
Energy: 1.4207165496200895
Energy: 1.3321153646177861
Energy: 1.3534694940728373
Energy: 1.1013507515959913
Energy: 1.3392958282667389
Energy: 1.1032952388431125
Energy: 1.3475164986186203
Energy: 1.3287886991704352
Energy: 1.3607506084952272
Energy: 1.100980880687101
Energy: 1.3862438119579044
Energy: 1.1031961551653684
Energy: 1.350073892776404
Energy: 1.60051482120914
Energy: 1.4223756057600183
Energy: 1.3612733570957634
Energy: 1.3671464495904329
Energy: 1.35961874074771
Energy: 1.7534074348400903

minimum gb energy = 1.0395729308062054 eV
minimum distance =  2.2201923887883 Angstroms
sigma value = 11


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

Energy: 1.7972610938218818
Energy: 1.5619866312676323
Energy: 1.492003865376806
Energy: 1.479385613200541
Energy: 1.4468222220542006
Energy: 1.9145612286630411
Energy: 1.2872049415689755
Energy: 1.4788028846479275
Energy: 1.4399719077449022
Energy: 1.621520840132005
Energy: 1.480705606741674
Energy: 1.301597857509531
Energy: 1.273050990833541
Energy: 1.2997388573605202
Energy: 1.4489791237671026
Energy: 1.5847761782599261
Energy: 1.4499417489481554
Energy: 1.277353880566253
Energy: 1.2722182474789938
Energy: 1.2967321236081253
Energy: 1.3008367136578693
Energy: 1.5412323813874185
Energy: 1.3011199462264564
Energy: 1.2953169342021404
Energy: 1.2669713037169261
Energy: 1.2780655604801108
Energy: 1.29878005425744
Energy: 1.4882104189539513
Energy: 1.299336641587042
Energy: 1.2846300372524004
Energy: 1.2725190033454734
Energy: 1.2781200355100832
Energy: 1.748123585984747
Energy: 1.6364478468642596
Energy: 1.747402347222453
Energy: 1.2802221227667903
Energy: 1.372117530685801
Energy: 1.3981946025018819
Energy: 1.5632984712907938
Energy: 1.5619078640596662
Energy: 1.6197722286692473
Energy: 1.4360778284773308
Energy: 1.6512113833713449
Energy: 1.429342878408769
Energy: 1.454232921700168
Energy: 1.4493091306574244
Energy: 1.44944758364298
Energy: 1.739567259950295
Energy: 1.270805020700303
Energy: 1.2845948892239154
Energy: 1.4378305309348662
Energy: 1.7596548518713633
Energy: 1.3977777613434963
Energy: 1.278074995036928
Energy: 1.371023177957257
Energy: 1.3947666339924039
Energy: 1.3992463480633608
Energy: 1.7580872884925867
Energy: 1.4027760276398622
Energy: 1.3731385110280496
Energy: 1.388258483340903
Energy: 1.4312408897346336
Energy: 1.322908728037286
Energy: 1.3733018222596303
Energy: 1.3968648874623628
Energy: 1.4280569109070675
Energy: 1.386890769281474
Energy: 1.3238319582944063
Energy: 1.4291935592241016
Energy: 1.3880018780576102
Energy: 1.397961668924129
Energy: 1.4101072557492018
Energy: 1.3715706930989249
Energy: 1.4306645814753898
Energy: 1.4083761352410133
Energy: 1.3834196024546133
Energy: 1.428754516118763
Energy: 1.4269748950003962
Energy: 1.6187489120343488
Energy: 1.3961088784469287
Energy: 1.39342174370243
Energy: 1.3727311307152932
Energy: 1.3966970613516512
Energy: 1.4501171230194283
Energy: 1.52440227688707
Energy: 1.3994100227147948
Energy: 1.2894107521858296
Energy: 1.285889765923113
Energy: 1.4088060548507848
Energy: 1.4375974692518625
Energy: 1.449961804327135
Energy: 1.4500717467993454
Energy: 1.4806496206890178
Energy: 1.9205559265699301
Energy: 1.559737896967091
Energy: 1.453640671533785
Energy: 1.488155538794121
Energy: 1.439773879517882
Energy: 1.4737190716959179
Energy: 1.2634259950251858
Energy: 1.485503707486354
Energy: 1.5336451505548212
Energy: 1.506724536351487
Energy: 1.450685084688054
Energy: 1.2845744565113342
Energy: 1.2715881242813019
Energy: 1.2982651068053717
Energy: 1.566680936946936
Energy: 1.5619399481606944
Energy: 1.3008757648845317
Energy: 1.296618380022915
Energy: 1.2753162419338555
Energy: 1.2981233233764884
Energy: 1.4718797475216279
Energy: 1.5616729855443139
Energy: 1.2967084556849555
Energy: 1.2930711492620994
Energy: 1.278422080713627
Energy: 1.2911518880737933
Energy: 1.4679426544810346
Energy: 1.6363539439476553
Energy: 1.747281905322638
Energy: 1.2861813954807257
Energy: 1.2789423578783303
Energy: 1.2930035919072635
Energy: 1.7485693722464082
Energy: 1.4879683500844538
Energy: 1.5653093611549744
Energy: 1.3997136618921269
Energy: 1.3685793734593064
Energy: 1.3996014043821112
Energy: 1.5632516807969363
Energy: 1.4474357209446314
Energy: 1.4503690906660736
Energy: 1.7403450639045503
Energy: 1.6308211880318904
Energy: 1.558755058572056
Energy: 1.4493763685285819
Energy: 1.756523169677788
Energy: 1.48121511267405
Energy: 1.2806720615617162
Energy: 1.2773672601729762
Energy: 1.3986554236809317
Energy: 1.2844929836251577
Energy: 1.7589882267806503
Energy: 1.401195526867015
Energy: 1.3736452848824816
Energy: 1.373116777226399
Energy: 1.3922204650299843
Energy: 1.9701190021984507
Energy: 1.3716333592800285
Energy: 1.3967797463691136
Energy: 1.4470273342533824
Energy: 1.3921665976050412
Energy: 1.4322251323042678
Energy: 1.4288434286560057
Energy: 1.3871428298730222
Energy: 1.4551915612606252
Energy: 1.397949953358826
Energy: 1.389898017257755
Energy: 1.3236121717852887
Energy: 1.4449899950673502
Energy: 1.3852732134425347
Energy: 1.4281429985659078
Energy: 1.3201723443911142
Energy: 1.4266777196393645
Energy: 1.4296028047199745
Energy: 1.4097202707146734
Energy: 1.372284286667214
Energy: 1.4031136644483817
Energy: 1.3984880718538177
Energy: 1.5582093731301814
Energy: 1.4052607330040303
Energy: 1.3750676012516712
Energy: 1.2681425376718671
Energy: 1.448747673383155
Energy: 1.4387440292290776
Energy: 1.6510959319888903
Energy: 1.3992171997026601
Energy: 1.2869803373228839
Energy: 1.7008138652529972
Energy: 1.4381700234614117
Energy: 1.448797711068775
Energy: 1.568190972094596
Energy: 1.4319931934210914
Energy: 1.4797365325944962

minimum gb energy = 1.2634259950251858 eV
minimum distance =  2.19573473031415 Angstroms
sigma value = 57


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

Energy: 2.210179494923955
Energy: 1.9128688642968805
Energy: 1.4720510800508853
Energy: 1.4573599380340574
Energy: 1.5529573228000177
Energy: 1.937609192789091
Energy: 1.3201296415906025
Energy: 1.376539140892565
Energy: 1.3785780640884302
Energy: 1.3209885161351085
Energy: 1.394976030784081
Energy: 1.384377159800085
Energy: 1.3187106231634338
Energy: 1.3375056078412888
Energy: 1.3653235194782596
Energy: 1.3408542309402107
Energy: 1.3615961172075288
Energy: 1.3478051942230338
Energy: 1.3177238568100038
Energy: 1.363584965453463
Energy: 1.5090705212585167
Energy: 1.3162589465320407
Energy: 1.3581618526037453
Energy: 1.3365353999243565
Energy: 1.3158755257395034
Energy: 1.351666000736336
Energy: 1.3775471493360592
Energy: 1.3215758535380875
Energy: 1.3743187954034832
Energy: 1.3387688688140598
Energy: 1.3200850808757216
Energy: 1.3795641590995145
Energy: 1.6516907521683442
Energy: 1.3215274782228976
Energy: 1.6481079908415173
Energy: 1.3185485318484471
Energy: 1.3899569089981851
Energy: 1.3919059109412186
Energy: 1.337445452026324
Energy: 1.315547555998911
Energy: 1.383613272323657
Energy: 1.3613007860952204
Energy: 1.3914237638616453
Energy: 1.3598834766324923
Energy: 1.318218470745807
Energy: 1.3264535027859992
Energy: 1.3209907605262627
Energy: 1.3650371712743405
Energy: 1.3145420027407566
Energy: 1.3343665288490052
Energy: 1.689417098016496
Energy: 1.3029519228119286
Energy: 1.6429376156595574
Energy: 1.3170167599161382
Energy: 1.3140138229194696
Energy: 1.3530622837816948
Energy: 1.3417067876420063
Energy: 1.302308694924739
Energy: 1.3931726758362173
Energy: 1.3324546006325104
Energy: 1.3018828976229815
Energy: 1.366150526157284
Energy: 1.3778584943576773
Energy: 1.3245840596421794
Energy: 1.3719771441994366
Energy: 1.3610073124794686
Energy: 1.3042797158717636
Energy: 1.3931743531136904
Energy: 1.3383203368412528
Energy: 1.3171998445448827
Energy: 1.3687374683402491
Energy: 1.3918425378675396
Energy: 1.3149882190941375
Energy: 1.5064476921909724
Energy: 1.355687214489239
Energy: 1.3348642123187946
Energy: 1.358559715755235
Energy: 1.3287084188592713
Energy: 1.3206164153940156
Energy: 1.3630836086508518
Energy: 1.3153799695635955
Energy: 1.3179552328699369
Energy: 1.3736124585424603
Energy: 1.6440077934373412
Energy: 1.321048210447108
Energy: 1.3974864095699593
Energy: 1.3730678887552845
Energy: 1.3226891888084642
Energy: 1.377421926554351
Energy: 1.3341663967011077
Energy: 1.5337138677301558
Energy: 1.3230785102279257
Energy: 1.3434493512456098
Energy: 1.6344512301329759
Energy: 1.3478161235003008
Energy: 1.551289345245847
Energy: 1.3022040705687425
Energy: 1.3815083413522202
Energy: 1.3763340198712941
Energy: 1.3147780619318348
Energy: 1.3941291222824728
Energy: 1.3365600263255375

minimum gb energy = 1.3018828976229815 eV
minimum distance =  2.22440776233329 Angstroms
sigma value = 9


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

Energy: 2.390336211134836
Energy: 1.5038505831879427
Energy: 1.4756334636525508
Energy: 1.4743606225671675
Energy: 1.4751941713771817
Energy: 2.0364945791133082
Energy: 1.3525559408768053
Energy: 1.4586520501148101
Energy: 1.4147039016100345
Energy: 1.3876852573607859
Energy: 1.514886907385884
Energy: 1.4309791318425915
Energy: 1.3531214994766663
Energy: 1.357026934992438
Energy: 1.446201541532856
Energy: 1.4439501699453563
Energy: 1.4657865242724442
Energy: 1.3553996397203332
Energy: 1.3752346202214263
Energy: 1.451358362241349
Energy: 1.3883467764737827
Energy: 1.3574561834490584
Energy: 1.429222959307917
Energy: 1.3798681497172363
Energy: 1.3777957143193789
Energy: 1.3987349125676496
Energy: 1.385120403548612
Energy: 1.377017167179098
Energy: 1.383310099275805
Energy: 1.3989050293366931
Energy: 1.3579972310221797
Energy: 1.3852227385890372
Energy: 1.398961071377982
Energy: 1.375939351664776
Energy: 1.4151777906288572
Energy: 1.3802243814865882
Energy: 1.3861977595693018
Energy: 1.4682345971194353
Energy: 1.3834225653606769
Energy: 1.389213428513473
Energy: 1.3801962367108984
Energy: 1.4256027682804733
Energy: 1.3862665368685672
Energy: 1.5166497991947845
Energy: 1.3588004225636354
Energy: 1.3534402936030712
Energy: 1.3622175130898975
Energy: 1.522204605399939
Energy: 1.3594651346010678
Energy: 1.378836991476596
Energy: 1.5174084231898644
Energy: 1.3844321393586596
Energy: 1.5112826310397365
Energy: 1.3577431685707573
Energy: 1.351840084778599
Energy: 1.3608864561698895
Energy: 1.5194338072600966
Energy: 1.385584810204681
Energy: 1.5118988573988963
Energy: 1.4412325542413738
Energy: 1.3427418592267473
Energy: 1.5132703311176288
Energy: 1.3672479006623046
Energy: 1.351712389660622
Energy: 1.356250887320836
Energy: 1.5479729778466154
Energy: 1.3478184519374732
Energy: 1.53384493076596
Energy: 1.3812776681326846
Energy: 1.3882143975611083
Energy: 1.4080171067371392
Energy: 1.4459257243519386
Energy: 1.3520863511712293
Energy: 1.3567158003894149
Energy: 1.5219775308381993
Energy: 1.3993683245675628
Energy: 1.457004510144633
Energy: 1.3573761943601745
Energy: 1.3896010741718516
Energy: 1.3786236446119646
Energy: 1.4635176595894297
Energy: 1.396618096561742
Energy: 1.4735825338280766
Energy: 1.3808703530315074
Energy: 1.3749070494629538
Energy: 1.401324926336923
Energy: 1.4804554230397586
Energy: 1.357643054960665
Energy: 1.3844551041187025
Energy: 1.4010453826496132
Energy: 1.375225392146638
Energy: 1.3853578445436465
Energy: 1.3971050037647859
Energy: 1.4013886084220823
Energy: 1.4101087949341988
Energy: 1.3845763130019968
Energy: 1.3576297733229608
Energy: 1.4261310356703305
Energy: 1.3777131600306531
Energy: 1.3763925628135523
Energy: 1.459217341939107
Energy: 1.4241357886095243
Energy: 1.3872190247136729
Energy: 1.4725320087622729
Energy: 1.356977752169181
Energy: 1.355012971720276
Energy: 1.3574100239166005
Energy: 1.7426374796029622
Energy: 1.3945602533496555
Energy: 1.3815467718746648
Energy: 1.4935614827041488
Energy: 1.3582035466724305
Energy: 1.5296390742823824
Energy: 1.3797719814820026
Energy: 1.360119062313989
Energy: 1.3592621044174105
Energy: 1.422687515237744
Energy: 1.72702091530904
Energy: 1.3705864142083357
Energy: 1.3588862790171343
Energy: 1.3417846379750558
Energy: 1.5294155418433566
Energy: 1.3811121098775918
Energy: 1.351969070645018
Energy: 1.4587497879979063
Energy: 1.3798046402007331

minimum gb energy = 1.3417846379750558 eV
minimum distance =  2.23390686947553 Angstroms
sigma value = 27


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

Energy: 1.542408363297317
Energy: 1.42422158706944
Energy: 1.4164314065870962
Energy: 1.4155947474453625
Energy: 1.4180452644697201
Energy: 1.344936499180098
Energy: 1.3449560531902849
Energy: 1.4600542811620187
Energy: 1.3731508416350973
Energy: 1.3518410597077692
Energy: 1.569311012484945
Energy: 1.3742235098447089
Energy: 1.3523286378906618
Energy: 1.3558557775999116
Energy: 1.5199936999498305
Energy: 1.5115276003711493
Energy: 1.4557630803087067
Energy: 1.3553894601923615
Energy: 1.3489630676292264
Energy: 1.5182915669013066
Energy: 1.449589110128442
Energy: 1.353248101016074
Energy: 1.4839029819810738
Energy: 1.354314731733305
Energy: 1.3516657857770404
Energy: 1.3929040117437328
Energy: 1.3664107846327145
Energy: 1.3564863835761798
Energy: 1.3658632748800212
Energy: 1.442072830778783
Energy: 1.3446792062079764
Energy: 1.4656612326993177
Energy: 1.3893692156100135
Energy: 1.356244638756238
Energy: 1.3903381816357088
Energy: 1.3390001200625874
Energy: 1.3457998624160068
Energy: 1.4061596327552583
Energy: 1.3662058411722957
Energy: 1.3666316207984477
Energy: 1.3653370927933788
Energy: 1.4403561937495
Energy: 1.3473616769810584
Energy: 1.4408915144852303
Energy: 1.4450964089192042
Energy: 1.3498661374312215
Energy: 1.390237100093529
Energy: 1.4389927505462634
Energy: 1.3410915780678547
Energy: 1.3545555798329347
Energy: 1.4857095709004235
Energy: 1.3500519525392656
Energy: 1.4850174795028483
Energy: 1.3573060255413087
Energy: 1.3440912662353062
Energy: 1.4261362182375652
Energy: 1.586217806031424
Energy: 1.3501629231201233
Energy: 1.5851071799595944
Energy: 1.4257003201569651
Energy: 1.3467308108628786
Energy: 1.585540484851549
Energy: 1.353558563843639
Energy: 1.3512240680280214
Energy: 1.3533606893669383
Energy: 1.7673803924622666
Energy: 1.3463340845927587
Energy: 1.5878170094395478
Energy: 1.4105547486746601
Energy: 1.3430552328983143
Energy: 1.3530570664431962
Energy: 1.5974480231371424
Energy: 1.4139987047573246
Energy: 1.3453775581736993
Energy: 1.5172409776372013
Energy: 1.3295928921523172
Energy: 1.3739747548977213
Energy: 1.3485276499463756
Energy: 1.350497110951983
Energy: 1.3747885554372457
Energy: 1.594946087286373
Energy: 1.3506306435518451
Energy: 1.581903588607755
Energy: 1.3531889292494566
Energy: 1.3301336306501517
Energy: 1.4541497337134786
Energy: 1.3542666030487374
Energy: 1.345067183594521
Energy: 1.4231136435775038
Energy: 1.5281233317290357
Energy: 1.3299654582456872
Energy: 1.5216159493194108
Energy: 1.3548606198995858
Energy: 1.353291687842144
Energy: 1.3536503490841862
Energy: 1.4835031108121721
Energy: 1.351513769381936
Energy: 1.363929486228183
Energy: 1.4412165788569715
Energy: 1.3665090116095493
Energy: 1.3922906185375037
Energy: 1.44518481974597
Energy: 1.3541294833101716
Energy: 1.367122618267678
Energy: 1.465742385420839
Energy: 1.35311214255021
Energy: 1.4653254040795682
Energy: 1.3649586500701272
Energy: 1.35398731193269
Energy: 1.365845993972672
Energy: 1.4658873629942784
Energy: 1.3357169328861844
Energy: 1.4754534511405362
Energy: 1.364536578448009
Energy: 1.3509054977147499
Energy: 1.3913599731001276
Energy: 1.4398795316400157
Energy: 1.4459996106203485
Energy: 1.4407609952609053
Energy: 1.4450135477154298
Energy: 1.3504883602075644
Energy: 1.482763048875161
Energy: 1.3550209823748325
Energy: 1.3536007424331984
Energy: 1.4833474684516064
Energy: 1.4832872623059887
Energy: 1.394672546834045
Energy: 1.457389180222009
Energy: 1.3592843183791745
Energy: 1.344557797395162
Energy: 1.3536027215204312
Energy: 1.7754854123058001
Energy: 1.3516813453490932
Energy: 1.3530790083831332
Energy: 1.5718421739629704
Energy: 1.3470865292195604
Energy: 1.5847545715127402
Energy: 1.3530120810231145
Energy: 1.3431803891313798
Energy: 1.4203567252449645
Energy: 1.4461367214333471
Energy: 1.4043496228792427
Energy: 1.3742834248099245
Energy: 1.348995219546227
Energy: 1.3560165853109682
Energy: 1.5868216173100345
Energy: 1.4274438140994041
Energy: 1.3447665325860434
Energy: 1.373604360003283
Energy: 1.5123258847217291

minimum gb energy = 1.3295928921523172 eV
minimum distance =  2.21553611356684 Angstroms
sigma value = 19


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

Energy: 1.5932586237812312
Energy: 1.3768230964246029
Energy: 1.3788345818420003
Energy: 1.3753726016312267
Energy: 1.3772699430588426
Energy: 1.3024784448099191
Energy: 1.2890887232437864
Energy: 1.4483454973510816
Energy: 1.3504830811661377
Energy: 1.2965103486148868
Energy: 1.611472332710118
Energy: 1.3493155550481004
Energy: 1.2842751460413468
Energy: 1.3329927230350316
Energy: 1.5510830737781127
Energy: 1.5423336819414688
Energy: 1.334109556173262
Energy: 1.3337598798029762
Energy: 1.2871142046384643
Energy: 1.5164227197583036
Energy: 1.3989406141608474
Energy: 1.2969754688251462
Energy: 1.4652624322186196
Energy: 1.3375533249547533
Energy: 1.271183052651916
Energy: 1.4029438432701322
Energy: 1.34245910320954
Energy: 1.3423846540759563
Energy: 1.3423475428281875
Energy: 1.473039555267012
Energy: 1.2869068593652935
Energy: 1.4209566826446274
Energy: 1.385574963364606
Energy: 1.2931678465071066
Energy: 1.3856151658029632
Energy: 1.2876914632549894
Energy: 1.2972478641408003
Energy: 1.3520911655442391
Energy: 1.3522750115904203
Energy: 1.3551929756589356
Energy: 1.3523099371266925
Energy: 1.3525695005691116
Energy: 1.2928193265281585
Energy: 1.3534117602105171
Energy: 1.4814028702712472
Energy: 1.2882511585178182
Energy: 1.352495749632663
Energy: 1.3526749684547363
Energy: 1.2924732450788297
Energy: 1.3424458026852382
Energy: 1.400198034219683
Energy: 1.2871443367197755
Energy: 1.341856012810868
Energy: 1.3426605347159142
Energy: 1.296487911725792
Energy: 1.3424644223019628
Energy: 1.467799846297107
Energy: 1.2874220984415667
Energy: 1.4680316015670622
Energy: 1.34651940003727
Energy: 1.2804172641177431
Energy: 1.3346653100687205
Energy: 1.334170758838529
Energy: 1.3367978165439316
Energy: 1.334153469942533
Energy: 1.515928921316351
Energy: 1.2974284136398235
Energy: 1.6211628624440526
Energy: 1.4100490115762667
Energy: 1.2852502412069615
Energy: 1.346873402917966
Energy: 1.6210001694470348
Energy: 1.2961450857890864
Energy: 1.2975313141958127
Energy: 1.4404908239391072
Energy: 1.3207082564831598
Energy: 1.3478419856992134
Energy: 1.2977576122995214
Energy: 1.2882473706118578
Energy: 1.34950368209182
Energy: 1.6182311813969548
Energy: 1.3211348509221477
Energy: 1.4548937730521565
Energy: 1.3615883526103292
Energy: 1.2869810210183326
Energy: 1.345443045005385
Energy: 1.3772776391831032
Energy: 1.3749665777459388
Energy: 1.2855276664634598
Energy: 1.5419452316595073
Energy: 1.271313293647719
Energy: 1.6205272258000574
Energy: 1.3490353649489855
Energy: 1.2970908466277242
Energy: 1.3479977456322492
Energy: 1.5411510264870383
Energy: 1.284314251862177
Energy: 1.3345119412436366
Energy: 1.54927682743269
Energy: 1.5419569056781794
Energy: 1.4471474763915302
Energy: 1.3340492609572023
Energy: 1.2866753444748
Energy: 1.3329182342309454
Energy: 1.5168290905102906
Energy: 1.292849199424102
Energy: 1.5513657730680057
Energy: 1.337392498834067
Energy: 1.2707023293824065
Energy: 1.4766348315739684
Energy: 1.414184403658601
Energy: 1.292036029951864
Energy: 1.4144292188768697
Energy: 1.4733966328941013
Energy: 1.2877453102833272
Energy: 1.3846668241880422
Energy: 1.3423085800148005
Energy: 1.3008630636604137
Energy: 1.3856394758456225
Energy: 1.3854378287962719
Energy: 1.2925522735983952
Energy: 1.4686801108308718
Energy: 1.35319382749865
Energy: 1.3528597137193226
Energy: 1.3527953317847015
Energy: 1.4694566468891859
Energy: 1.2978476951858093
Energy: 1.3533655337091843
Energy: 1.3958282530410764
Energy: 1.2882305811002461
Energy: 1.3958609254838912
Energy: 1.3519491587549204
Energy: 1.2861693488050976
Energy: 1.3430354525000723
Energy: 1.3866614423804766
Energy: 1.2875397397682085
Energy: 1.3865015161922982
Energy: 1.3418811185764028
Energy: 1.2959793050737993
Energy: 1.3423570836658514
Energy: 1.470570646434914
Energy: 1.2870771344865286
Energy: 1.4664401670555045
Energy: 1.415575202328304
Energy: 1.2966501628901121
Energy: 1.5161675506811239
Energy: 1.3356702659420998
Energy: 1.287495410605116
Energy: 1.335577241813478
Energy: 1.516824285460161
Energy: 1.2804888433935018
Energy: 1.4507828649079595
Energy: 1.3337172032837803
Energy: 1.2853108874177859
Energy: 1.3343057925323847
Energy: 1.620565997839858
Energy: 1.2966424801220005
Energy: 1.3497557650764818
Energy: 1.628886959682157
Energy: 1.321143713153231
Energy: 1.456793209933185
Energy: 1.297377680292909
Energy: 1.2843390496385936
Energy: 1.3610971816775528
Energy: 1.614583011024758
Energy: 1.3209033107135404
Energy: 1.3463155256854218
Energy: 1.2868194970404738
Energy: 1.2868239970013227
Energy: 1.6199897025265149
Energy: 1.4102971770347759
Energy: 1.3746095222749641
Energy: 1.4100048141971113
Energy: 1.5432884804361027

minimum gb energy = 1.2707023293824065 eV
minimum distance =  2.21903006973533 Angstroms
sigma value = 101


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

Energy: 2.0478990309991185
Energy: 1.338553360320353
Energy: 1.3435797842174002
Energy: 1.3411487909768214
Energy: 1.3444887638285143
Energy: 1.5536725663333921
Energy: 1.2280522232859785
Energy: 1.4348689266504955
Energy: 1.4029221951409077
Energy: 1.25168083471222
Energy: 1.6224060843761992
Energy: 1.3991654932256599
Energy: 1.2463981568423752
Energy: 1.3080657098766766
Energy: 1.5618762256192555
Energy: 1.555118260712769
Energy: 1.3101273725659257
Energy: 1.250399616548279
Energy: 1.2469023446671015
Energy: 1.5617700748401673
Energy: 1.3941847611903597
Energy: 1.2285370014758865
Energy: 1.4777818812967898
Energy: 1.3110945713702329
Energy: 1.2204774842451636
Energy: 1.393040985536171
Energy: 1.3216589149212652
Energy: 1.2310025368008044
Energy: 1.3240648138698077
Energy: 1.4000796287906234
Energy: 1.2474148908700142
Energy: 1.3540941568637637
Energy: 1.324022516697229
Energy: 1.2255396872012172
Energy: 1.322130429495968
Energy: 1.2475204361752688
Energy: 1.2470468982615057
Energy: 1.3014962366557445
Energy: 1.3552320827374216
Energy: 1.359135261027238
Energy: 1.3698880719630733
Energy: 1.3009363472403146
Energy: 1.235213732784531
Energy: 1.3029010578620053
Energy: 1.2252664859639761
Energy: 1.225726031057573
Energy: 1.3019214594474764
Energy: 1.3012101295741374
Energy: 1.2654299059744725
Energy: 1.302670841086209
Energy: 1.3550249557255536
Energy: 1.2521091544745186
Energy: 1.3207994323581878
Energy: 1.3015303346843095
Energy: 1.2469966501408996
Energy: 1.419192711411883
Energy: 1.3548349624901759
Energy: 1.226134370966291
Energy: 1.3547373658314923
Energy: 1.3313843885644459
Energy: 1.2463051398777674
Energy: 1.3191312860734161
Energy: 1.2602031723049891
Energy: 1.2613319625532977
Energy: 1.3227782126072627
Energy: 1.4792211616472972
Energy: 1.2463612047505002
Energy: 1.4765234909151541
Energy: 1.3879195565319171
Energy: 1.25935751723859
Energy: 1.3196468815409126
Energy: 1.480627419516475
Energy: 1.247572467808214
Energy: 1.3115212376043692
Energy: 1.3088893358435711
Energy: 1.2431277466573307
Energy: 1.3085679737213127
Energy: 1.2476329694425083
Energy: 1.2279600863099172
Energy: 1.387133954433425
Energy: 1.6250306242606871
Energy: 1.2446349373059593
Energy: 1.6297995274192907
Energy: 1.3875404100707318
Energy: 1.257276043767788
Energy: 1.3168222381853862
Energy: 1.2547886443657539
Energy: 1.2521218602333948
Energy: 1.256334851157209
Energy: 1.43010002750894
Energy: 1.2559120574303062
Energy: 1.618087097981545
Energy: 1.3886860568154222
Energy: 1.228365011445899
Energy: 1.3171513399306305
Energy: 1.3181143676026141
Energy: 1.3172822915007274
Energy: 1.23042934079443
Energy: 1.2641418466316907
Energy: 1.5525920155732995
Energy: 1.3091165109151006
Energy: 1.3187058413200687
Energy: 1.2518279457306558
Energy: 1.402870613091106
Energy: 1.6210047972218669
Energy: 1.2219639795618107
Energy: 1.6284015238433238
Energy: 1.319109049831013
Energy: 1.2679872610783993
Energy: 1.5144422519918381
Energy: 1.2929967695284768
Energy: 1.2289435571324283
Energy: 1.3089938173097488
Energy: 1.567803264173263
Energy: 1.2630904184798082
Energy: 1.5342292165092317
Energy: 1.318718144431223
Energy: 1.2469186218158623
Energy: 1.307983476153339
Energy: 1.3947055689927983
Energy: 1.2244002543367454
Energy: 1.3886051908912231
Energy: 1.4793771619808005
Energy: 1.3948936442805413
Energy: 1.4648624013888039
Energy: 1.3852782900395115
Energy: 1.2257945356905111
Energy: 1.3247938363055944
Energy: 1.380581818134474
Energy: 1.247608507935899
Energy: 1.324120122839619
Energy: 1.3199354143502056
Energy: 1.2523134456601426
Energy: 1.3540754075521986
Energy: 1.3646195503339498
Energy: 1.235164570976932
Energy: 1.3652675916125232
Energy: 1.3575737609331051
Energy: 1.2263532547863532
Energy: 1.3221576379131335
Energy: 1.3007500058573167
Energy: 1.2484758500921826
Energy: 1.3028874607963534
Energy: 1.3411650873863952
Energy: 1.2248610365081112
Energy: 1.3216643688626526
Energy: 1.3009440161693167
Energy: 1.3023564752372125
Energy: 1.30117786045571
Energy: 1.3217558614853342
Energy: 1.2515808821911303
Energy: 1.356432376422452
Energy: 1.4180312455787643
Energy: 1.2481655838040897
Energy: 1.4254407399535869
Energy: 1.3553180705200722
Energy: 1.2257276931843053
Energy: 1.3222564700023662
Energy: 1.323369914282425
Energy: 1.2474463205818096
Energy: 1.3229366221118963
Energy: 1.260744252637143
Energy: 1.2592778183062872
Energy: 1.3200546019999408
Energy: 1.478391385382895
Energy: 1.2470283067652654
Energy: 1.477171838848674
Energy: 1.3862090805379095
Energy: 1.2429396138818314
Energy: 1.5346415460397405
Energy: 1.3147935999137301
Energy: 1.2485819259459845
Energy: 1.3153005027332232
Energy: 1.5349904894611863
Energy: 1.2433002441838097
Energy: 1.3099600449777087
Energy: 1.2288447242940244
Energy: 1.2933794093356499
Energy: 1.292873434622939
Energy: 1.6300003885148695
Energy: 1.2515751302087288
Energy: 1.316584978717466
Energy: 1.4406444038150874
Energy: 1.255931915870939
Energy: 1.3173753683413931
Energy: 1.2539515887452197
Energy: 1.2291542487384364
Energy: 1.3882132908522369
Energy: 1.6284922829857162
Energy: 1.2492424851398516
Energy: 1.2259205752176547
Energy: 1.2355899347811323
Energy: 1.2639627115119991
Energy: 1.3324729957550376
Energy: 1.292380157083368
Energy: 1.3175356934148492
Energy: 1.293125554467834
Energy: 1.5547326331514548

minimum gb energy = 1.2204774842451636 eV
minimum distance =  2.21495013042772 Angstroms
sigma value = 33


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

Energy: 0.014034168162896533
Energy: 0.09403614568379337
Energy: 0.08974140913089611
Energy: 0.08982350637291557
Energy: 0.0907758881888512
Energy: 0.014612971950415577
Energy: 0.1037180155612615
Energy: 0.10416932533638174
Energy: 0.10429258560183402
Energy: 0.10496651060606613
Energy: 0.10368612950401217
Energy: 0.10636453702126997
Energy: 0.8650051713400172
Energy: 0.0927046751471775
Energy: 0.014729023391343642
Energy: 0.016145497118591777
Energy: 0.09169963449120505
Energy: 0.08963946430472519
Energy: 0.014128882851608297
Energy: 0.10416932533705316
Energy: 0.10429258560183402
Energy: 0.10496651060815934
Energy: 0.10368612950401217
Energy: 0.10636453702265228

minimum gb energy = 0.014034168162896533 eV
minimum distance =  2.44462755698514 Angstroms
sigma value = 1