Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.678452149033547
cohesive_energy=4.224994686759812
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=[1.7596705971222e-19, 2.7694904859997197e-19, 3.33634057910892e-19, 3.78531853725474e-19, 4.1858626957547397e-19, 4.550085509961959e-19, 4.879797439472819e-19, 5.1755912896419e-19, 5.438508475281299e-19, 5.67003902066064e-19, 5.87194532007732e-19, 6.04608589842678e-19, 6.1946076723985795e-19, 6.319994015775419e-19, 6.424760345872679e-19, 6.511325949407699e-19, 6.5819018301354e-19, 6.63844264354926e-19, 6.68272680571302e-19, 6.716292406195319e-19, 6.740549360434079e-19, 6.756699300904799e-19, 6.76578364241958e-19, 6.768651538594439e-19, 6.765655468288859e-19, 6.75612251731656e-19, 6.73905933616446e-19, 6.7132002052917e-19, 6.676878860998919e-19, 6.628012473661919e-19, 6.56394143006826e-19, 6.481269115753859e-19, 6.375669653806919e-19, 6.24150338247576e-19, 6.07159255044006e-19, 5.85661248968994e-19, 5.58483526726452e-19, 5.241456771065639e-19, 4.807699490942819e-19, 4.2596749732831196e-19, 3.5666534702464194e-19, 2.68878884894514e-19, 1.5739639056518938e-19, 1.530419949093042e-20, -1.66621563406098e-19, -4.0079249587826997e-19, -7.052765521101659e-19, -1.107892324997928e-18, -1.65318993802656e-18, -2.4162425817354e-18, -3.528745971085979e-18, -5.2269410507616e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -1e-07 eV

========================================
theta = 0.0
========================================

Energy: 0.015738346558670457
Energy: 0.016336483624893067
Energy: 0.016113135371792535
Energy: 0.015944948692486388
Energy: 0.772793300154634
Energy: 0.016198466705795916
Energy: 0.016336483624893067
Energy: 0.10964411085074786
Energy: 0.10975485381167904
Energy: 0.10985105731565067
Energy: 0.10970604105867648
Energy: 0.10981705713389572
Energy: 0.016113135371792535
Energy: 0.10975485381107329
Energy: 0.10982708781896297
Energy: 0.016430404798482668
Energy: 0.10962686964327228
Energy: 0.10995022601817561
Energy: 0.01594494869221716
Energy: 0.10985105731565067
Energy: 0.016430404798482668
Energy: 0.016040763620167243
Energy: 0.11004841265856709
Energy: 0.016285986636646613
Energy: 0.772793300154634
Energy: 0.10970604105302272
Energy: 0.10962686964327228
Energy: 0.11004841264850466
Energy: 0.10947475006575573
Energy: 0.10980743473770413
Energy: 0.016198466705493034
Energy: 0.10981705713002556
Energy: 0.10995022602144
Energy: 0.01628598663634373
Energy: 0.10980743473652625
Energy: 0.015890955624859655

minimum gb energy = 0.015738346558670457 eV
minimum distance =  2.59911313451388 Angstroms
sigma value = 1


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

Energy: 1.5884698628319556
Energy: 0.640356397445459
Energy: 0.6787567831131802
Energy: 0.7939167768813072
Energy: 0.7841046099154508
Energy: 0.6783070722781473
Energy: 1.5545387716307593
Energy: 0.6273447742928392
Energy: 0.7076057881154282
Energy: 0.7228200095116956
Energy: 0.670821029270773
Energy: 0.7079166322771554
Energy: 1.57082712595247
Energy: 0.6294297663573708
Energy: 0.7067606542780106
Energy: 0.7773885578003826
Energy: 0.667168138616549
Energy: 0.7075195192998206
Energy: 1.66402670087679
Energy: 0.6987263158351652
Energy: 0.7628173242851136
Energy: 0.7097604499318829
Energy: 0.6704861820619543
Energy: 0.785839829979885
Energy: 1.5686989595477565
Energy: 0.7089836234303482
Energy: 0.7082933767935687
Energy: 0.7247307453776775
Energy: 0.7099956832770575
Energy: 0.7248531327624607
Energy: 1.4721860286518773
Energy: 0.7762364296494729
Energy: 0.7783917499936293
Energy: 0.7743946958194499
Energy: 0.7076374515606085
Energy: 0.778210188668955
Energy: 1.4717586504342175
Energy: 0.7767039268751711
Energy: 0.7772688259583501
Energy: 0.7761628624335177
Energy: 0.7754607587042996
Energy: 0.7763745559445867
Energy: 1.409592741996801
Energy: 0.7808233986241194
Energy: 0.7781844652252142
Energy: 0.7091701224812792
Energy: 0.7809708890931908
Energy: 0.7759214779502074
Energy: 1.0781048805396647
Energy: 0.7768300331495529
Energy: 0.7766401816089858
Energy: 0.707309828972037
Energy: 0.7746884613162349
Energy: 0.7767701582540588
Energy: 1.0732003886830992
Energy: 0.7258842483243807
Energy: 0.7262720687989082
Energy: 0.7082805184870153
Energy: 0.7268438365010307
Energy: 0.7099521138606854
Energy: 1.1677806595554372
Energy: 0.7520101024377228
Energy: 0.7519939604661774
Energy: 0.6697964315894172
Energy: 0.7519842211042571
Energy: 0.7489360777140227
Energy: 0.7967227312185323
Energy: 0.7092204864221995
Energy: 0.7087213559654323
Energy: 0.6700837824207979
Energy: 0.7752287495251986
Energy: 0.7080834218015576
Energy: 0.7911237534885384
Energy: 0.7086414773043367
Energy: 0.7087516345549812
Energy: 0.6707334730919223
Energy: 0.707319378119781
Energy: 0.7079512917310694
Energy: 0.9244070329023397
Energy: 0.7706103983851436
Energy: 0.6940904755422678
Energy: 0.6702580826534663
Energy: 0.7700027057080117
Energy: 0.7049291496610268
Energy: 0.8821450551888438
Energy: 0.7246383429263648
Energy: 0.7253798094344857
Energy: 0.6678704943776501
Energy: 0.7248844151809172
Energy: 0.7258143668893537
Energy: 0.8832924524052392
Energy: 0.7772936216146717
Energy: 0.7771061954606577
Energy: 0.6710228733735313
Energy: 0.7770576859161257
Energy: 0.7772052622102041
Energy: 1.2547092900108785
Energy: 0.7790725803093228
Energy: 0.7768820716472181
Energy: 0.6359437571371921
Energy: 0.7791138957427293
Energy: 0.7643703778167846
Energy: 1.2752263549346476
Energy: 0.7800787137602516
Energy: 0.7776203582505897
Energy: 0.7771172871292032
Energy: 0.781623044042094
Energy: 0.7775850689080857
Energy: 1.275989578201879
Energy: 0.7765040433580553
Energy: 0.7773410872803714
Energy: 0.776589757368292
Energy: 0.776945549488767
Energy: 0.7769125761750032
Energy: 1.5279321325571662
Energy: 0.7771360713410025
Energy: 0.7775675504689123
Energy: 0.776870468862568
Energy: 0.7776665768434332
Energy: 0.777009183997913
Energy: 1.5733397233687125
Energy: 0.7642214375473081
Energy: 0.7743350876380098
Energy: 0.774851981787096
Energy: 0.709148931479168
Energy: 0.7663471476422987
Energy: 1.4782734599751752
Energy: 0.7091655055322129
Energy: 0.7834442229522839
Energy: 0.7743748010575957
Energy: 0.6709536907414148
Energy: 0.7773160742609907
Energy: 1.554900725003689
Energy: 0.628187549650285
Energy: 0.7076173712266625
Energy: 0.6315884981974256
Energy: 0.6685947388244443
Energy: 0.7080770895222482

minimum gb energy = 0.6273447742928392 eV
minimum distance =  2.37360315275751 Angstroms
sigma value = 33


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

Energy: 2.1548367706996103
Energy: 0.5965926766391012
Energy: 0.7556780413111591
Energy: 0.878565722454968
Energy: 0.7812737634741691
Energy: 1.017370168673578
Energy: 1.6122223351659881
Energy: 0.8375612808065512
Energy: 0.8032798705080809
Energy: 0.8046781780932357
Energy: 0.7800631558516368
Energy: 0.8044463163974663
Energy: 1.6562066257180175
Energy: 0.8519911522376017
Energy: 0.7942211516128158
Energy: 0.8956045075252911
Energy: 0.799134772539658
Energy: 0.9409388120161215
Energy: 1.658798954646908
Energy: 0.8990912643160811
Energy: 0.8355687296121476
Energy: 0.8859599800810773
Energy: 0.7404385656668877
Energy: 0.8939438251338945
Energy: 1.6551068770673512
Energy: 0.9247849825802705
Energy: 0.8511471122024848
Energy: 0.8492419325304378
Energy: 0.8210370724811602
Energy: 0.918600544041385
Energy: 1.5527287169576547
Energy: 0.8221345209288176
Energy: 0.9257796227377724
Energy: 0.9275909711749489
Energy: 0.9325708050255745
Energy: 0.9257748128617765
Energy: 1.5514196519939605
Energy: 0.9024941838827417
Energy: 0.9085541469246734
Energy: 0.9082808083237986
Energy: 0.9071296184347876
Energy: 0.9010165586611759
Energy: 1.503291953232795
Energy: 0.8889554402738895
Energy: 0.8916142101018182
Energy: 0.872621096804824
Energy: 0.8851850711972138
Energy: 0.8930075833619318
Energy: 1.2021587101104318
Energy: 0.8933008592828026
Energy: 0.9226732718309774
Energy: 0.8728060203661023
Energy: 0.8941076890146418
Energy: 0.9144211317897815
Energy: 1.1890390029314852
Energy: 0.8884753582351401
Energy: 0.8956312076849994
Energy: 0.8703182163328063
Energy: 0.8879996216328048
Energy: 0.879918821917257
Energy: 1.069722490241965
Energy: 0.8430536619369554
Energy: 0.8546674741859392
Energy: 0.8783045587096695
Energy: 0.8601656830927713
Energy: 0.8280136824468657
Energy: 0.9500505939636827
Energy: 0.853264042857478
Energy: 0.8928014202551497
Energy: 0.9141282612536158
Energy: 0.8531537663517438
Energy: 0.8927482104307352
Energy: 0.948858942401813
Energy: 0.8985224428390174
Energy: 0.8983063155120569
Energy: 0.9364773649005705
Energy: 0.8983292121173123
Energy: 0.8987048875875207
Energy: 1.0616652409351943
Energy: 0.8996977084607096
Energy: 0.8997147845160886
Energy: 0.9268288695204764
Energy: 0.8889084289778402
Energy: 0.8943038652288109
Energy: 1.105515564537994
Energy: 0.9034562313276077
Energy: 0.9029593000352224
Energy: 0.9150588447144005
Energy: 0.902460760549809
Energy: 0.9038565217847245
Energy: 1.1085015050065434
Energy: 0.919475894860654
Energy: 0.9196554682801925
Energy: 0.9387036036119704
Energy: 0.9230945263002839
Energy: 0.945827351043044
Energy: 1.440985055220383
Energy: 0.8990629732413506
Energy: 0.9086715678465406
Energy: 0.905969080789637
Energy: 0.8978093783879655
Energy: 0.9087220860416129
Energy: 1.4272752305442626
Energy: 0.9133002868412364
Energy: 0.9142415003548563
Energy: 0.8852952739999866
Energy: 0.9179953174336537
Energy: 0.8948862188820248
Energy: 1.428911162636165
Energy: 0.8991909022275439
Energy: 0.9160314047263892
Energy: 0.890825150524761
Energy: 0.8737169779691965
Energy: 0.9139069238544305
Energy: 1.6556713786613593
Energy: 0.9174123837866824
Energy: 0.9348543053781295
Energy: 0.9095323227239154
Energy: 0.9068973688877713
Energy: 0.9356876860963612
Energy: 1.7682881087249342
Energy: 0.8712418854815691
Energy: 0.8743019584222851
Energy: 0.9391964627869342
Energy: 0.8729558813686196
Energy: 0.933362321621259
Energy: 1.75786965801735
Energy: 0.9006297312854146
Energy: 0.8750249222499106
Energy: 0.9093101351080556
Energy: 0.8790076383145153
Energy: 0.9332054680743833
Energy: 1.559491221065139
Energy: 0.8740855901579462
Energy: 0.914231092323612
Energy: 0.9113465375589931
Energy: 0.8805695350910834
Energy: 0.9124068034959342
Energy: 1.6555466750835544
Energy: 0.9293389527092966
Energy: 0.95257259176936
Energy: 0.8883875440458234
Energy: 0.9301918626788753
Energy: 0.7565656269930958
Energy: 1.5355405968229952
Energy: 0.9091036021684138
Energy: 0.9067531993588798
Energy: 0.9063757540090172
Energy: 0.9192206310618812
Energy: 0.909052890678997
Energy: 1.5485420038339541
Energy: 0.9442995152291446
Energy: 0.947062148229111
Energy: 0.891677034632403
Energy: 0.9262453732947165
Energy: 0.941312365601481
Energy: 1.5496363292885778
Energy: 0.9182895314706805
Energy: 0.9074821107570268
Energy: 0.8948118692368063
Energy: 0.9236608655241493
Energy: 0.9068654841232799
Energy: 1.5103793432118988
Energy: 0.8896150600618427
Energy: 0.8898477583572089
Energy: 0.9136564104236286
Energy: 0.8898359900179275
Energy: 0.912709645987887
Energy: 1.1691001352346782
Energy: 0.8894222010474566
Energy: 0.890517850864161
Energy: 0.9475007459089886
Energy: 0.8857297980159318
Energy: 0.9046995265575973
Energy: 1.1658375593047938
Energy: 0.8876179967350707
Energy: 0.8932439081401637
Energy: 0.9163282730867907
Energy: 0.8886242825768169
Energy: 0.8820969044960149
Energy: 1.2342702800271572
Energy: 0.8549985084445407
Energy: 0.8545554260102743
Energy: 0.8976912712933653
Energy: 0.8549062787779825
Energy: 0.8540606769020763
Energy: 0.9736519286193528
Energy: 0.8538627727692479
Energy: 0.8545490249796756
Energy: 0.8637987492792711
Energy: 0.8536797606497776
Energy: 0.8793264303980555
Energy: 0.9785186073478432
Energy: 0.9209073407705505
Energy: 0.9213795343430277
Energy: 0.8624586572339301
Energy: 0.9207984553577788
Energy: 0.8787075108215924
Energy: 0.9999277434442906
Energy: 0.888773662555607
Energy: 0.8939486581520613
Energy: 0.9224565972521688
Energy: 0.8890747712502587
Energy: 0.8941367935248947
Energy: 1.0995774394926516
Energy: 0.9166745084985367
Energy: 0.9159127839490918
Energy: 0.9067542124953328
Energy: 0.9163890789805886
Energy: 0.91572585804711
Energy: 1.1103082451356874
Energy: 0.9349612896745855
Energy: 0.9344642880504831
Energy: 0.944592394514396
Energy: 0.91825414645601
Energy: 0.9331747480471352
Energy: 1.413542952222923
Energy: 0.8075772682036393
Energy: 0.847912585555643
Energy: 0.8093688407156138
Energy: 0.8207440561535921
Energy: 0.9394830771624513
Energy: 1.4261652871009656
Energy: 0.9213340091947222
Energy: 0.7921740923958954
Energy: 0.8930208686860963
Energy: 0.7833536114239358
Energy: 0.9219399394215587
Energy: 1.4274372954110295
Energy: 0.8636158114343251
Energy: 0.795275628959524
Energy: 0.8849158710823497
Energy: 0.8021981884547748
Energy: 0.8885477314300102
Energy: 1.6779155308266167
Energy: 0.8387127492564518
Energy: 0.7745703052104963
Energy: 0.815565918953796
Energy: 0.8003520802918282
Energy: 0.8037951018254167
Energy: 1.699892805566331
Energy: 0.797380667486498
Energy: 0.791325926215565
Energy: 0.8108127332045967
Energy: 0.7636290842337271
Energy: 0.8524644215244696

minimum gb energy = 0.5965926766391012 eV
minimum distance =  2.34191260925218 Angstroms
sigma value = 51


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

Energy: 1.709968471080463
Energy: 0.7327461059486213
Energy: 0.7330417062020573
Energy: 0.8925408830951782
Energy: 0.76330769973123
Energy: 0.8965816604489262
Energy: 1.4582413142793718
Energy: 0.7421348052677256
Energy: 0.7439243286862456
Energy: 0.7376357528839251
Energy: 0.736457257892639
Energy: 0.7438880379024532
Energy: 1.498428251717348
Energy: 0.7292429521245436
Energy: 0.7288267719590804
Energy: 0.7341869252142359
Energy: 0.737467486754918
Energy: 0.8093547917766416
Energy: 1.499904439997164
Energy: 0.7306083064047414
Energy: 0.7295544259265572
Energy: 0.8096131863081965
Energy: 0.7426925902874661
Energy: 0.8093674516136277
Energy: 1.4810736147337575
Energy: 0.8191882888665288
Energy: 0.8285054617126422
Energy: 0.7489240578491388
Energy: 0.8133452886113895
Energy: 0.7481439299784998
Energy: 1.2287404224891711
Energy: 0.7415015556754685
Energy: 0.7497638643144542
Energy: 0.7402755088956023
Energy: 0.74098231572458
Energy: 0.7403056834548887
Energy: 1.2285077075242725
Energy: 0.752026039904989
Energy: 0.7596784036712674
Energy: 0.7403031119982936
Energy: 0.7509578031306672
Energy: 0.7524633188417779
Energy: 1.3305035720129184
Energy: 0.7338492000390958
Energy: 0.722376528861198
Energy: 0.7406945651664064
Energy: 0.7082435526201895
Energy: 0.8065289163401436
Energy: 0.8666870184815983
Energy: 0.8092220975592522
Energy: 0.875475971389346
Energy: 0.7407770094338648
Energy: 0.7043551800442406
Energy: 0.8098315439501662
Energy: 0.8668536890584215
Energy: 0.7411788735676832
Energy: 0.739718810119568
Energy: 0.7357379291482177
Energy: 0.7413276464506122
Energy: 0.7440712074602038
Energy: 0.90699982664014
Energy: 0.8065406736753111
Energy: 0.8066693536601304
Energy: 0.8017934465741504
Energy: 0.8074313552837885
Energy: 0.807528325413659
Energy: 0.9951694590406287
Energy: 0.7384635637330248
Energy: 0.7382040444298188
Energy: 0.7312831921525106
Energy: 0.7313547542177237
Energy: 0.7446756314605361
Energy: 0.9786977267227923
Energy: 0.8808328235283109
Energy: 0.8817317852962051
Energy: 0.7216127984679668
Energy: 0.8905607595864589
Energy: 0.7266291359848248
Energy: 1.0766317138887183
Energy: 0.8120126295689556
Energy: 0.8121845210457405
Energy: 0.8224235742383655
Energy: 0.8128280978583411
Energy: 0.8108293145159036
Energy: 1.3567277644745117
Energy: 0.7290474165441376
Energy: 0.8092414939954383
Energy: 0.8043994958448791
Energy: 0.7289982226376326
Energy: 0.8856775353701851
Energy: 1.3587177010381695
Energy: 0.7329365287123027
Energy: 0.7350786471124732
Energy: 0.7461106937827086
Energy: 0.7271618433209295
Energy: 0.7368881795732443
Energy: 1.5051717244090421
Energy: 0.727125891886618
Energy: 0.7325242061701385
Energy: 0.7488032690543462
Energy: 0.7226324174469586
Energy: 0.825661762091409
Energy: 1.6384692892434625
Energy: 0.7333765281871948
Energy: 0.7311624072954684
Energy: 0.7013467356412473
Energy: 0.7349809222196896
Energy: 0.7290937502882974

minimum gb energy = 0.7013467356412473 eV
minimum distance =  2.39804857492943 Angstroms
sigma value = 19


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

Energy: 1.4682097560841698
Energy: 0.8894177522359707
Energy: 0.8898531442415971
Energy: 0.9883548502399785
Energy: 0.8467237412181046
Energy: 0.8903408619877596
Energy: 1.514388628695412
Energy: 0.847493630228544
Energy: 0.8470727964242234
Energy: 0.904278835346728
Energy: 0.8479505896023944
Energy: 0.8470028108566188
Energy: 1.4939218171325106
Energy: 0.8475802860434983
Energy: 0.8478023329672902
Energy: 0.8367693068289083
Energy: 0.8482817970672017
Energy: 0.8476867777329686
Energy: 1.1559665035309177
Energy: 0.8490928412336692
Energy: 0.8487451299144942
Energy: 0.9350195182213097
Energy: 0.8492951369504093
Energy: 0.8486549247708388
Energy: 0.854988694117282
Energy: 0.9107007352268194
Energy: 0.9111158618179359
Energy: 0.8364049635985686
Energy: 0.847251290694931
Energy: 0.8852596651979582
Energy: 1.1418057923109308
Energy: 0.8445688988767782
Energy: 0.8858430127445565
Energy: 0.9099228232243053
Energy: 0.8438657873705714
Energy: 0.8869109695490418
Energy: 1.1415790547997433
Energy: 0.8349801679377981
Energy: 0.8850712617994075
Energy: 0.909878832337718
Energy: 0.8370432089964042
Energy: 0.885453597511822
Energy: 0.948061994524182
Energy: 0.9304256283417313
Energy: 0.9305227061663233
Energy: 0.8486028712137744
Energy: 0.9307268332008818
Energy: 0.8459197084410253
Energy: 0.8480648447624178
Energy: 0.9297619214775232
Energy: 0.9301785574906446
Energy: 0.8480467915923335
Energy: 0.9300342455952207
Energy: 0.8461483305144699
Energy: 0.8496307673687429
Energy: 0.9025236591563823
Energy: 0.9116382809379434
Energy: 0.8496819647836471
Energy: 0.8360985975355546
Energy: 0.8469934687574374
Energy: 0.8492625872195342
Energy: 0.9350872972305595
Energy: 0.9256884122111417
Energy: 0.8495081549363144
Energy: 0.9344206959200733
Energy: 0.8486162274768743
Energy: 1.198139928575596
Energy: 0.8358697338636384
Energy: 0.9419789934879275
Energy: 0.8479402704903152
Energy: 0.8364149630036002
Energy: 0.910849146232199
Energy: 0.8450153323350721
Energy: 0.9110988824335619
Energy: 0.911183672826735
Energy: 0.8472058215257391
Energy: 0.9120005369123098
Energy: 0.884400255871473
Energy: 1.19983654790689
Energy: 0.9102197417030605
Energy: 0.9114371895959971
Energy: 0.8360033386351445
Energy: 0.9106093553095178
Energy: 0.8880424973490649
Energy: 1.4472402672911298
Energy: 0.8475637547841839
Energy: 0.8469686480684656
Energy: 0.9302908422200489
Energy: 0.8478023142683134
Energy: 0.9026526465686145
Energy: 1.4487839599218668
Energy: 0.8478651300361301
Energy: 0.8452980822155135
Energy: 0.9299402317443727
Energy: 0.8481175225154551
Energy: 0.8446688628450171
Energy: 1.4946604180151637
Energy: 0.8488476605733721
Energy: 0.84696419584081
Energy: 0.8354892328410373
Energy: 0.8494100495381733
Energy: 0.8469255418974739
Energy: 1.157999560566601
Energy: 0.8488707305358549
Energy: 0.848426400702451
Energy: 0.9350154739389934
Energy: 0.8489250465282322
Energy: 0.8483673063355489
Energy: 1.1586840770766156
Energy: 0.8485268955182542
Energy: 0.8479395924950112
Energy: 0.9351463573749762
Energy: 0.8482996827909186
Energy: 0.8473576324560091
Energy: 1.1416671119549608
Energy: 0.8446043626564246
Energy: 0.8854037001062941
Energy: 0.8357349675461315
Energy: 0.8436841353766267
Energy: 0.8859261818381565
Energy: 1.1418844537134891
Energy: 0.911886820517433
Energy: 0.8860755350237977
Energy: 0.910798818828598
Energy: 0.9114490659499243
Energy: 0.8848044641394508
Energy: 1.1416558647675643
Energy: 0.9026223437488962
Energy: 0.9105247869020642
Energy: 0.9105907022413328
Energy: 0.8365291385202663
Energy: 0.9103401175949011
Energy: 0.8368805461506503
Energy: 0.9028540919329692
Energy: 0.8454981930113504
Energy: 0.836651105282818
Energy: 0.9484832808716115
Energy: 0.9038911160762362
Energy: 0.8478076976949154
Energy: 0.9026192695719658
Energy: 0.9105976231642853
Energy: 0.8478852369404478
Energy: 0.9298231515332163
Energy: 0.8469510408295458
Energy: 0.8482221101056665
Energy: 0.902648127411313
Energy: 0.9112542958418955
Energy: 0.8480526272189641
Energy: 0.835820814191081
Energy: 0.8477050519014997
Energy: 0.9482277917945163
Energy: 0.9350560043395968
Energy: 0.9349327228828064
Energy: 0.8494120736194203
Energy: 0.9351733336161626
Energy: 0.8482691216381929
Energy: 1.1405473957002648
Energy: 0.8351449258801648
Energy: 0.9044527201801738
Energy: 0.848061040895318
Energy: 0.8366946672987587
Energy: 0.9112155258878366
Energy: 0.8431286194340546
Energy: 0.911183802429116
Energy: 0.9117000475306912
Energy: 0.8429473392835741
Energy: 0.9101232515373102
Energy: 0.8860103837623903
Energy: 1.1962506203210492
Energy: 0.9107880190233654
Energy: 0.9110823426134838
Energy: 0.837675073543289
Energy: 0.9098766791599929
Energy: 0.885524962884232
Energy: 1.4489624211333958
Energy: 0.848706258018258
Energy: 0.8448038334553469
Energy: 0.9389307992470739
Energy: 0.8487201915627137
Energy: 0.8449399054716946

minimum gb energy = 0.8349801679377981 eV
minimum distance =  2.4108185203879 Angstroms
sigma value = 27


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

Energy: 1.2169786848293294
Energy: 0.8266780907599245
Energy: 1.0531097516190848
Energy: 0.7661967213591557
Energy: 0.7682139399138479
Energy: 1.0540892485285362
Energy: 0.903607674314536
Energy: 0.7632739570318345
Energy: 0.7619935516475232
Energy: 0.7668919217274431
Energy: 0.7650599717035745
Energy: 0.7652428703499526
Energy: 0.8402853814740053
Energy: 0.764346006057212
Energy: 0.7641057581561506
Energy: 0.7690451622075525
Energy: 0.7651509540702077
Energy: 0.7666676289183493
Energy: 0.8236358352247652
Energy: 0.7671103571108873
Energy: 0.7674136403265547
Energy: 0.7614387363132021
Energy: 0.7676938371809068
Energy: 0.767304374195225
Energy: 1.1004192231622254
Energy: 0.7378007081435777
Energy: 0.7678740864895041
Energy: 0.765652922135505
Energy: 0.732933772316216
Energy: 0.767717471103558
Energy: 0.9492274158521428
Energy: 0.7901207651114541
Energy: 0.7686396117797448
Energy: 0.9022930773681197
Energy: 0.789502806546636
Energy: 0.7500675096118751
Energy: 0.872519948702792
Energy: 0.7644713376593878
Energy: 0.7628764782738723
Energy: 0.8411827920079693
Energy: 0.7613587664362101
Energy: 0.7622428849765257
Energy: 1.0793097967384522
Energy: 0.7762717828581651
Energy: 0.775724976115113
Energy: 0.921522502684922
Energy: 0.7726518655515401
Energy: 0.7678451256307091
Energy: 1.0687166806905812
Energy: 0.758224814505567
Energy: 0.7675498464821501
Energy: 0.7632402860612468
Energy: 0.7580090654449182
Energy: 0.7680709728543278
Energy: 0.8270737683929509
Energy: 0.7669911603320129
Energy: 0.7665429119192161
Energy: 0.7619595405732363
Energy: 0.7676893387997136
Energy: 0.7662807870530173
Energy: 1.0157190394901625
Energy: 0.8165195525771847
Energy: 0.7842118396660148
Energy: 0.7680100850925614
Energy: 0.817803229051221
Energy: 0.7857346049481553
Energy: 0.9036076128169789
Energy: 0.763231087153752
Energy: 0.7651494126988307
Energy: 0.7667950809932242
Energy: 0.7627884319642733
Energy: 0.7652396353047656

minimum gb energy = 0.732933772316216 eV
minimum distance =  2.40840372130528 Angstroms
sigma value = 9


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

Energy: 1.9545773914419222
Energy: 0.7310904374386333
Energy: 0.6808839870270665
Energy: 0.6824553961299796
Energy: -1.8980535102008262
Energy: 0.6828177320292614
Energy: 0.6629308070897902
Energy: 0.66372835526816
Energy: 0.6652541745785624
Energy: 0.6658792712953965
Energy: 0.6684652736693463
Energy: 0.6779957853881642
Energy: 1.1601804993806677
Energy: 0.6721551442439294
Energy: 0.6728269371039388
Energy: 0.6608716353468596
Energy: 0.6842571936537091
Energy: 0.671928774351638
Energy: 1.1602383713945486
Energy: 0.666541011448938
Energy: 0.6604679052969905
Energy: 0.6640219319078915
Energy: 0.6698674780001735
Energy: 0.6607689639493454
Energy: 1.155344373208243
Energy: 0.6563983990961928
Energy: 0.6596100498718195
Energy: 0.6618287293312205
Energy: 0.6572505962983738
Energy: 0.6701084926324948
Energy: 0.9799070203669313
Energy: 0.6570760002059195
Energy: 0.6483732716632138
Energy: 0.8328651196430614
Energy: 0.6562357896361697
Energy: 0.649896212373762
Energy: 0.7901823792484541
Energy: 0.6653208149147787
Energy: 0.660239996186
Energy: 0.6663904269282872
Energy: 0.6612877900613977
Energy: 0.6607575545913421
Energy: 0.8265381917921977
Energy: 0.6613157872665772
Energy: 0.6551658391466196
Energy: 0.7432575720035666
Energy: 0.6617449350523396
Energy: 0.7262552863398899
Energy: 1.103437394017118
Energy: 0.6589874464482831
Energy: 0.6652622150665517
Energy: 0.6565760950356476
Energy: 0.6616450190562662
Energy: 0.6606457862746117
Energy: 1.3344199288991472
Energy: 0.6633066671659555
Energy: 0.6545038306836968
Energy: 0.657035259280684
Energy: 0.667758023433695
Energy: 0.655626063943705
Energy: 1.3327348291848296
Energy: 0.6574602430562658
Energy: 0.6612164284398149
Energy: 0.6564364353733034
Energy: 0.653806737889499
Energy: 0.6577019760955518
Energy: 0.6574112738030882
Energy: 0.661030469931667
Energy: 0.6596874321010683
Energy: 0.6660962201762948
Energy: 0.6666834771635157
Energy: 0.6624331032574737
Energy: 0.9938139687755079
Energy: 0.7533907885479827
Energy: 0.6603347904563516
Energy: 0.6552122533557547
Energy: 0.7143326404897319
Energy: 0.6560763973471837
Energy: 0.6472269861819776
Energy: 0.6614877561926873
Energy: 0.6604912413602716
Energy: 0.663662304355625
Energy: 0.6608036292321279
Energy: 0.6652260844262347
Energy: 0.7805883404106438
Energy: 0.650116456264651
Energy: 0.6499424721534541
Energy: 0.6717804073347119
Energy: 0.6506242684995767
Energy: 0.7417388328938692
Energy: 0.7737744555797251
Energy: 0.6648023102745557
Energy: 0.6636426706038562
Energy: 0.6697934251392021
Energy: 0.6660839413331585
Energy: 0.6632529630035011
Energy: 0.7703531432205474
Energy: 0.6539262852157994
Energy: 0.6541525651607506
Energy: 0.6677119628872843
Energy: 0.6597829290877871
Energy: 0.6694541138594141
Energy: 1.0206509077845536
Energy: 0.6525584454546937
Energy: 0.6050220230953505
Energy: 0.6501520913189415
Energy: 0.6614261750360472
Energy: 0.6486904015591997
Energy: 0.910694855773587
Energy: 0.6770171740450814
Energy: 0.6716521366299878
Energy: 0.6747522761077093
Energy: 0.6753812473737056
Energy: 0.6715338255253605
Energy: 0.8725321897624874
Energy: 0.6752344634756162
Energy: 0.6706635432088257
Energy: 0.6763127562209383
Energy: 0.6750375611823295
Energy: 0.6614557792823553
Energy: 0.7096046377920846
Energy: 0.6756449350428559
Energy: 0.6766216082638394
Energy: 0.6740616144241295
Energy: 0.6748488044472595
Energy: 0.6650001715287094
Energy: 1.0043336014018147
Energy: 0.6444354195372712
Energy: 0.603904050279169
Energy: 0.68067054335342
Energy: 0.6620060909893437
Energy: 0.6547682793900538
Energy: 0.656838687119771
Energy: 0.6644209852296777
Energy: 0.6585366341398019
Energy: 0.6740515720198236
Energy: 0.6624265654012407
Energy: 0.6487563593589805
Energy: 1.04837459037321
Energy: 0.678376367904409
Energy: 0.675830679304669
Energy: 0.6615766408220864
Energy: 0.6705139641946318
Energy: 0.6640773325198822
Energy: 0.8699366460409972
Energy: 0.6731079687280195
Energy: 0.6719715853051806
Energy: 0.6677570490543893
Energy: 0.6705167940430629
Energy: 0.6711212130127555
Energy: 1.0479821696102143
Energy: 0.6647717930839511
Energy: 0.6665605796122109
Energy: 0.664796170360324
Energy: 0.6631886523772006
Energy: 0.6637442593865304
Energy: 0.7451715313131684
Energy: 0.6618795617773456
Energy: 0.6633287220540233
Energy: 0.9673529640593596
Energy: 0.6631561174961659
Energy: 0.6380768313853148
Energy: 0.7873904818363013
Energy: 0.6671473160240172
Energy: 0.6667690386419585
Energy: 0.6563933035642467
Energy: 0.662830186700785
Energy: 0.6670718389171278
Energy: 0.7937959369834705
Energy: 0.6584915158312982
Energy: 0.6584970590780126
Energy: 0.6530677050839317
Energy: 0.658909536311204
Energy: 0.6638536427477706
Energy: 0.8315596658465292
Energy: 0.6612907717895314
Energy: 0.6570454715274155
Energy: 0.740140081722729
Energy: 0.658658455612426
Energy: 0.7265589528839269
Energy: 1.3328460515890703
Energy: 0.6576606767271158
Energy: 0.6593926458667821
Energy: 0.6562430683777063
Energy: 0.6566664179390833
Energy: 0.6584864380386282
Energy: 1.3349145235747246
Energy: 0.6600414864389248
Energy: 0.6583270230658291
Energy: 0.6573959070775564
Energy: 0.6574972734725283
Energy: 0.6584433535084064
Energy: 1.0440023167263488
Energy: 0.6586849534674795
Energy: 0.6634959254950121
Energy: 0.6614842327541199
Energy: 0.6582600727016426
Energy: 0.6628001272886868
Energy: 1.1748730341810385
Energy: 0.6589070272939309
Energy: 0.6487624196036421
Energy: 0.6786558413547156
Energy: 0.6613694297832704
Energy: 0.653790114890953
Energy: 1.200183909430829
Energy: 0.6620925745217676
Energy: 0.6609011944835429
Energy: 0.6549631259955709
Energy: 0.662889974224629
Energy: 0.6588518256227366
Energy: 0.8321599178132945
Energy: 0.6592741885211509
Energy: 0.6582421790572365
Energy: 0.7365249110764507
Energy: 0.6487595800741784
Energy: 0.6645118156978663
Energy: 0.7739964861416108
Energy: 0.6598499177358071
Energy: 0.6609555625209483
Energy: 0.685291572317401
Energy: 0.6611876921404011
Energy: 0.6703860970838376
Energy: 0.770240270235565
Energy: 0.6641946581769537
Energy: 0.6699025264502926
Energy: 0.663142336777876
Energy: 0.6764208522942
Energy: 0.6697488608856611
Energy: 1.1319012207944816
Energy: 0.6552324631226826
Energy: 0.655367718939283
Energy: 0.9758977990039195
Energy: 0.6551293199216104
Energy: 0.6461514868754463
Energy: 0.9021227923353802
Energy: 0.6642224399668925
Energy: 0.6697383472274635
Energy: 0.6741214865907872
Energy: 0.678943318343333
Energy: 0.6695098883203373
Energy: 0.870359943343734
Energy: 0.6620889925154139
Energy: 0.6648895658716055
Energy: 0.6876810716923717
Energy: 0.6758130626665976
Energy: 0.6712481327869467
Energy: 0.9020291079629922
Energy: 0.6753070468417561
Energy: 0.6746813412242427
Energy: 0.6714454548995568
Energy: 0.6754474579856556
Energy: 0.6732854747498151
Energy: 0.6362907810897803
Energy: 0.6623696888127839
Energy: 0.6579941228746662
Energy: 0.6465666506982921
Energy: 0.6641825124170972
Energy: 0.6485298600815508

minimum gb energy = -1.8980535102008262 eV
minimum distance =  2.39237462238449 Angstroms
sigma value = 57


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

Energy: 0.6751769888945546
Energy: 0.5362104182911774
Energy: 0.39610396375782325
Energy: 0.39542603058062953
Energy: 1.0094326362467907
Energy: 0.5356269526337698
Energy: 0.6767167636264435
Energy: 0.6048259302068711
Energy: 0.6019343115158583
Energy: 0.6125052459330992
Energy: 0.62886116294596
Energy: 0.6163875709400374
Energy: 0.8482915321385824
Energy: 0.6706566629377028
Energy: 0.6873123986871286
Energy: 0.6885212030212419
Energy: 0.6907134529976408
Energy: 0.6695392769105104
Energy: 0.8492639736037981
Energy: 0.6695946621710038
Energy: 0.6987338685529629
Energy: 0.6964277709840546
Energy: 0.7019006064446551
Energy: 0.6681794554275389
Energy: 0.864901606926935
Energy: 0.39630119826364574
Energy: 0.39802344919080546
Energy: 0.599719857687382
Energy: 0.3961043143005434
Energy: 0.6854434068261023
Energy: 0.9346843979227042
Energy: 0.39535477351811005
Energy: 0.3967809665772766
Energy: 0.7226440208294003
Energy: 0.3953503790352177
Energy: 0.39545654167561
Energy: 0.8429993886915672
Energy: 0.7011300470889611
Energy: 0.7027748298052707
Energy: 0.7033611865818915
Energy: 0.7030468233555637
Energy: 0.7014097057842673
Energy: 0.8488777192400409
Energy: 0.6966886524392116
Energy: 0.6931021585565017
Energy: 0.7011204778691064
Energy: 0.6955941416218951
Energy: 0.6949258606255833
Energy: 0.8722391846970811
Energy: 0.7003186529006046
Energy: 0.7026879525638849
Energy: 0.7059819882350028
Energy: 0.7031972639114192
Energy: 0.7000420362180598
Energy: 0.5161617505267857
Energy: 0.7257088737844094
Energy: 0.39611033826752706
Energy: 0.39593023959267704
Energy: 0.727849842167952
Energy: 0.3960636012737344
Energy: 0.5124394688780614
Energy: 0.7220130258302806
Energy: 0.7243842771663822
Energy: 0.3955162635533719
Energy: 0.7240840470082388
Energy: 0.39700007644426566
Energy: 0.8720797917319586
Energy: 0.6988872516183678
Energy: 0.7002803758997469
Energy: 0.7004937609432473
Energy: 0.7016724550309726
Energy: 0.6976662052241741
Energy: 0.8780240392221288
Energy: 0.7009640902889434
Energy: 0.6960375673324523
Energy: 0.698449377765364
Energy: 0.703135779319277
Energy: 0.6976674151173075
Energy: 0.8718650205430402
Energy: 0.7073862944317751
Energy: 0.7083180931367019
Energy: 0.7061390305209488
Energy: 0.7092035255778859
Energy: 0.706258706507538
Energy: 0.9448675163568361
Energy: 0.3985726958672542
Energy: 0.39569755267665935
Energy: 0.699652416127483
Energy: 0.39510961511795417
Energy: 0.395150142954651
Energy: 0.8225962086073583
Energy: 0.6823228842966084
Energy: 0.6055271321844703
Energy: 0.7136032608952679
Energy: 0.397337271269505
Energy: 0.6824951993237847
Energy: 0.8183865669171738
Energy: 0.6679377844743752
Energy: 0.6933105416004663
Energy: 0.6960866372654105
Energy: 0.6971531368201096
Energy: 0.6669409257148139
Energy: 0.8470704433106313
Energy: 0.6772572655477964
Energy: 0.6108923091686054
Energy: 0.6117963487401221
Energy: 0.6137510632730552
Energy: 0.6742465931680829
Energy: 0.676586559103065
Energy: 0.6044011490603999
Energy: 0.6093473079140119
Energy: 0.3964179215051057
Energy: 0.5998921170802861
Energy: 0.6131154983840389

minimum gb energy = 0.39510961511795417 eV
minimum distance =  2.406882157224 Angstroms
sigma value = 11


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

Energy: 1.4831853959751087
Energy: 0.6654714427692167
Energy: 0.8550031459159553
Energy: 0.7419520443485237
Energy: 0.7306014862905121
Energy: 0.8554623135885464
Energy: 0.7624430274448334
Energy: 0.5191213599569005
Energy: 0.5234773425943514
Energy: 0.5151220507491594
Energy: 0.5018245418705047
Energy: 0.5238363240222705
Energy: 0.6544890996353566
Energy: 0.5143910384837881
Energy: 0.5129933407513456
Energy: 0.519317720123911
Energy: 0.5164488373631746
Energy: 0.5128884403919297
Energy: 0.6539090007290673
Energy: 0.5167637494413424
Energy: 0.5200279424313815
Energy: 0.5094824556497581
Energy: 0.5196276291964432
Energy: 0.5172829851279359
Energy: 0.7724822431515991
Energy: 0.6403498952907914
Energy: 0.6392022479882358
Energy: 0.6186791013808076
Energy: 0.6325999298755928
Energy: 0.5198242936087343
Energy: 0.9887230928513795
Energy: 0.6328330159142855
Energy: 0.6367167095092089
Energy: 0.6454157208969411
Energy: 0.6256650116192749
Energy: 0.6358993482740832
Energy: 0.8699605383411234
Energy: 0.5230597975632677
Energy: 0.5240047245317468
Energy: 0.49142054799815416
Energy: 0.659250719914234
Energy: 0.5244111604681303
Energy: 0.6552587283875787
Energy: 0.5960997094920463
Energy: 0.6224689679873354
Energy: 0.5026721297864278
Energy: 0.5958432408534122
Energy: 0.6247305594525405
Energy: 0.912199265119614
Energy: 0.5202666625007165
Energy: 0.5245459507620809
Energy: 0.5175426233900264
Energy: 0.5063630699192715
Energy: 0.5248683583905634
Energy: 0.8089882490581535
Energy: 0.7339918747803813
Energy: 0.6391330144476872
Energy: 0.5101750413570705
Energy: 0.7372819505854858
Energy: 0.6365311821675511
Energy: 1.278955041696867
Energy: 0.6388798067348677
Energy: 0.6382346060033576
Energy: 0.6356788221496112
Energy: 0.7867323848545631
Energy: 0.6371715590016778
Energy: 0.938889926502278
Energy: 0.5111202923331264
Energy: 0.5241487999490763
Energy: 0.7168822068846247
Energy: 0.5193031717726182
Energy: 0.6087938643481332
Energy: 0.9350759977379139
Energy: 0.5936023468905312
Energy: 0.6710969030065134
Energy: 0.7178947253136738
Energy: 0.5193713518535283
Energy: 0.6079607783762859
Energy: 0.9245153896594908
Energy: 0.7525253196961251
Energy: 0.750169649452884
Energy: 0.7476369908945144
Energy: 0.7484625985958961
Energy: 0.7497484123398466
Energy: 0.9649121847640022
Energy: 0.7408596787264577
Energy: 1.0574438248575693
Energy: 0.7920463848154788
Energy: 1.03720473563637
Energy: 0.7937602233442485
Energy: 1.2572322598769434
Energy: 0.7524290146322784
Energy: 0.7506548339817454
Energy: 0.7501098106425226
Energy: 0.7498416388485499
Energy: 0.7503119683101048
Energy: 1.0462340157296248
Energy: 0.7887390935081872
Energy: 0.7844219908137422
Energy: 0.58688698742411
Energy: 0.7889635845534408
Energy: 0.754193527130111
Energy: 1.3048093799370233
Energy: 0.7535810744815442
Energy: 0.7527999296808559
Energy: 0.5206432096324152
Energy: 0.7967565299843348
Energy: 0.7515285382377642
Energy: 1.191981707384497
Energy: 0.6038571507077506
Energy: 0.5253324902965193
Energy: 0.5209851348999409
Energy: 0.8004294196811649
Energy: 0.5263329511151545
Energy: 0.8504630513278006
Energy: 0.7169981893126641
Energy: 0.7181492176229634
Energy: 0.5960671015293539
Energy: 0.719557200577167
Energy: 0.7101338061789336
Energy: 1.2133919461454603
Energy: 0.6347493181753565
Energy: 0.635629566557955
Energy: 0.6365049065193767
Energy: 0.7511292678860194
Energy: 0.6370085923995357
Energy: 0.9018463822618259
Energy: 0.7469874682316208
Energy: 0.5213984416681827
Energy: 0.7394094736225558
Energy: 0.5218412311405135
Energy: 0.7506526104497693
Energy: 0.9022464325028718
Energy: 0.634640847070578
Energy: 0.6363371080403192
Energy: 0.5065321652998831
Energy: 0.6340305116783961
Energy: 0.6373731686177956
Energy: 0.761417172912802
Energy: 0.6009188758766937
Energy: 0.605765477826463
Energy: 0.5959383535385152
Energy: 0.5152181928314435
Energy: 0.6061353323531405
Energy: 0.7500642411525414
Energy: 0.5157454339575724
Energy: 0.526721687848675
Energy: 0.59537289702663
Energy: 0.5148310074488827
Energy: 0.6635888669362462
Energy: 1.2528766590117737
Energy: 0.5180608165354558
Energy: 0.5189578906436323
Energy: 0.748681708616992
Energy: 0.6446440744083727
Energy: 0.5193050324985828

minimum gb energy = 0.49142054799815416 eV
minimum distance =  2.41920539956066 Angstroms
sigma value = 41


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

Energy: 1.3754836410334854
Energy: 0.9619641775285598
Energy: 0.9628079664489012
Energy: 1.0986534316139214
Energy: 1.0076212010703258
Energy: 1.1008340667574057
Energy: 1.0026704563614421
Energy: 0.5268730725583195
Energy: 0.5278816020642889
Energy: 0.5185726356987768
Energy: 0.5196191994527009
Energy: 0.5168587408052606
Energy: 0.6607890399802471
Energy: 0.5204370091288072
Energy: 0.5173074196173991
Energy: 0.5208730996108674
Energy: 0.518881583515015
Energy: 0.518245057668947
Energy: 0.6609206481211708
Energy: 0.5182196760658098
Energy: 0.5163188034703595
Energy: 0.524146825487636
Energy: 0.5186939751161557
Energy: 0.516905410732248
Energy: 0.8384629443312963
Energy: 0.5506308630659038
Energy: 0.5510667773930831
Energy: 0.5233448299909843
Energy: 0.5059112823050059
Energy: 0.5270519176638943
Energy: 1.0486712179329987
Energy: 0.5516268652286239
Energy: 0.5530680549702003
Energy: 0.7465584621342685
Energy: 0.5195265493167041
Energy: 0.5505470673603472
Energy: 0.9694597626762962
Energy: 0.5269974227192862
Energy: 0.5273593091361951
Energy: 0.5249339147687144
Energy: 0.5146938514685394
Energy: 0.5268112079733934
Energy: 0.6861849138184838
Energy: 0.657163798414625
Energy: 0.6564244054542484
Energy: 0.535783885875842
Energy: 0.6559680184548558
Energy: 0.5370578975981759
Energy: 1.0446066971389876
Energy: 0.5154437673887964
Energy: 0.5160797633702199
Energy: 0.5249322774477108
Energy: 0.5101097894618017
Energy: 0.5158492806254045
Energy: 0.9925332127871642
Energy: 0.6033517558667623
Energy: 0.5887951459475887
Energy: 0.7687489238389121
Energy: 0.6011984898000474
Energy: 0.6118943649289399
Energy: 1.0489656172732127
Energy: 0.6142941856433295
Energy: 0.6145882592949063
Energy: 0.48749259197972544
Energy: 0.6021693169489442
Energy: 0.5430356794403216
Energy: 0.9681171409348879
Energy: 0.5130276814446637
Energy: 0.4988511969020704
Energy: 0.538142344281802
Energy: 0.5118169960412154
Energy: 0.5439498033283316
Energy: 0.979637930223883
Energy: 0.5317041478922148
Energy: 0.503765872150435
Energy: 0.5372001126467852
Energy: 0.5342170816926944
Energy: 0.5040792450568403
Energy: 0.8189111459498178
Energy: 0.517147950457901
Energy: 0.5156920406571249
Energy: 0.49733833500288066
Energy: 0.5179366756155519
Energy: 0.5164032312007623
Energy: 0.8320594716293517
Energy: 0.7642397788181591
Energy: 0.8326121383688372
Energy: 0.7644012897598024
Energy: 0.7707837822545714
Energy: 0.8341043785243503
Energy: 0.822186237854544
Energy: 0.520132729070029
Energy: 0.516953422335963
Energy: 0.527240353378807
Energy: 0.5280663695568112
Energy: 0.5185750872501851
Energy: 1.3009881602510092
Energy: 0.7519663689872064
Energy: 0.4992350614473231
Energy: 1.0225468094368324
Energy: 0.7253464631037975
Energy: 1.028869834123247
Energy: 0.6847811721033491
Energy: 0.5280567645380277
Energy: 0.5244958147028634
Energy: 0.5070934678227309
Energy: 0.5235273547515635
Energy: 0.5405040060033518
Energy: 0.6624486097231015
Energy: 0.520727181510839
Energy: 0.5205627056336745
Energy: 0.5169557043217129
Energy: 0.5175157634578259
Energy: 0.5276212289494875
Energy: 0.6599251093663139
Energy: 0.5176207643036824
Energy: 0.5177073553817263
Energy: 0.5164283114825204
Energy: 0.5173099960709305
Energy: 0.5168849938314446
Energy: 0.8389566760452735
Energy: 0.5161054250121029
Energy: 0.5216683894502567
Energy: 0.5269423321112608
Energy: 0.5175815329008328
Energy: 0.5266032063576724
Energy: 0.975670980397886
Energy: 1.0113553620609994
Energy: 1.0115613488342525
Energy: 0.9520466222002142
Energy: 1.0009493424765106
Energy: 1.0114303582958413
Energy: 1.0381953375168649
Energy: 0.5159180807991434
Energy: 0.5160739738458908
Energy: 0.524586636685687
Energy: 0.5152324366499919
Energy: 0.5164736042952343
Energy: 0.6861293818133024
Energy: 0.718565772478047
Energy: 0.6607925752184941
Energy: 0.531325022960621
Energy: 0.6618675409712916
Energy: 0.5226420010636995
Energy: 0.9688967751969091
Energy: 0.522695594538322
Energy: 0.5178326666019899
Energy: 0.5160558530924514
Energy: 0.5148894146428598
Energy: 0.5169184942789413
Energy: 1.049547062893118
Energy: 0.613578910213761
Energy: 0.6146965172824196
Energy: 0.49900893861751033
Energy: 0.6012916520795022
Energy: 0.543619768896016
Energy: 0.9926562020237217
Energy: 0.6031074662492178
Energy: 0.6065087503170511
Energy: 0.516142260944743
Energy: 0.605285153864642
Energy: 0.612006299236377
Energy: 0.9653623169003017
Energy: 0.5064870176301302
Energy: 0.5339054982818936
Energy: 0.5376740623931645
Energy: 0.5042931837451397
Energy: 0.5423158557024297
Energy: 0.9787317512067151
Energy: 1.0215160094571423
Energy: 1.0208552466285985
Energy: 0.5735461731064516
Energy: 1.0208669684336213
Energy: 1.0216333923618006
Energy: 0.8489246145405163
Energy: 0.5415329090627
Energy: 0.5405271545875271
Energy: 0.49491493094212397
Energy: 0.5413316539199744
Energy: 0.5411701723233945
Energy: 0.8044912626397206
Energy: 0.51750734880122
Energy: 0.5166280343352162
Energy: 0.5144712425025751
Energy: 0.5185208511091186
Energy: 0.5204939712823758
Energy: 0.8250677130841106
Energy: 0.5153798863294105
Energy: 0.5170893298553555
Energy: 0.519767867193449
Energy: 0.5177767062286395
Energy: 0.5175680750970808
Energy: 1.2993781467362757
Energy: 0.532349046761332
Energy: 0.5387695616314102
Energy: 0.538536016019044
Energy: 0.5238479504961556
Energy: 0.5378243785803661

minimum gb energy = 0.48749259197972544 eV
minimum distance =  2.41806423598469 Angstroms
sigma value = 33


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

Energy: 0.8046251187540089
Energy: 1.3448331585781965
Energy: 1.341827067362959
Energy: 0.618555629242625
Energy: 1.7275756219312575
Energy: 1.340270574959808
Energy: 1.1238280929289803
Energy: 0.5530026193183062
Energy: 0.5494240543678425
Energy: 0.5568186609561823
Energy: 0.5805102622857976
Energy: 0.5495747253252004
Energy: 0.6943540650006279
Energy: 0.5513469063242414
Energy: 0.5494937314992319
Energy: 0.5520777033501865
Energy: 0.5523366522365866
Energy: 0.5492653678139017
Energy: 0.6947249903993302
Energy: 0.5505571574169377
Energy: 0.549421164256287
Energy: 0.5563961101731187
Energy: 0.5525914155469828
Energy: 0.5495165786290921
Energy: 0.9102152672911719
Energy: 0.5554682573034228
Energy: 0.5606116247643027
Energy: 0.8311466794249207
Energy: 0.557158267128105
Energy: 0.5610373401713666
Energy: 1.0689550185677956
Energy: 0.9040864815716741
Energy: 0.9074833546250892
Energy: 0.8332478004246703
Energy: 0.9039817490285346
Energy: 0.9061888322927086
Energy: 0.7406565277880969
Energy: 0.5483929747870666
Energy: 0.549624737001625
Energy: 0.8402501500594343
Energy: 0.5561259072006758
Energy: 0.577039455298021
Energy: 0.7212692634774474
Energy: 0.7212731626922991
Energy: 0.5527817668233899
Energy: 0.5426700036686489
Energy: 0.7204950380374653
Energy: 0.5420409909129473
Energy: 0.7430188297283069
Energy: 0.5810387462394916
Energy: 0.5810638807837112
Energy: 0.5816808224967731
Energy: 0.5811143151628627
Energy: 0.5807518847735058
Energy: -0.8687361367590545
Energy: 0.8386918927249398
Energy: 0.5781039210897579
Energy: 0.5522219837377238
Energy: 0.8371409334252315
Energy: 0.5777027175368743
Energy: -1.2085397531318982
Energy: 0.5834406849072323
Energy: 0.5812375414846531
Energy: 0.5571087212393967
Energy: 0.8438249343931624
Energy: 0.5782314000490734
Energy: 1.1345874007203267
Energy: 0.5840330756542228
Energy: 0.5719012482813086
Energy: 0.8327815456461509
Energy: 0.5470383290557473
Energy: 0.5627532779642371
Energy: 0.9094967631267243
Energy: 0.5461999783236804
Energy: 0.5588539722989517
Energy: 0.8319789164998368
Energy: 0.5485481723451716
Energy: 0.5611791298680805
Energy: 0.7189166141244759
Energy: 0.5519084953301293
Energy: 0.5494282672839306
Energy: 0.5549594581762168
Energy: 0.554396686080396
Energy: 0.549650947273139
Energy: 0.709672689450469
Energy: 0.5505640430594996
Energy: 0.5496381251192269
Energy: 0.5533642342446696
Energy: 0.5528047572844034
Energy: 0.5501188312564981
Energy: 0.7117598450128025
Energy: 0.5569910355194594
Energy: 0.550343985442291
Energy: 0.5524585819890366
Energy: 0.5555202955966682
Energy: 0.5466907971751448
Energy: 1.1512971999806856
Energy: 0.8337470727284336
Energy: 0.9111421135598924
Energy: 0.9054260497925675
Energy: 0.8910163788156862
Energy: 0.91523838326049
Energy: 1.2258814341165853
Energy: 0.5529059456582317
Energy: 0.5697010213736188
Energy: 0.5612740863183199
Energy: 0.83634565831644
Energy: 0.5477628356555463
Energy: 1.0442191888199752
Energy: 0.5637102603267163
Energy: 0.5545502311892286
Energy: 0.8324797393919979
Energy: 0.5685832371668296
Energy: 0.5772014355231859
Energy: 0.8924507770465764
Energy: 0.5572672951854895
Energy: 0.5504194738564454
Energy: 0.8323832550167322
Energy: 0.5680342264449987
Energy: 0.5772214320192014
Energy: 0.8851933116245714
Energy: 0.580029376789456
Energy: 0.5806777458842264
Energy: 0.8440974873599514
Energy: 0.579136669352295
Energy: 0.5847979397099466
Energy: 0.8944112657583113
Energy: 0.9136897531610471
Energy: 0.9131499993680512
Energy: 0.9040436746820674
Energy: 0.9069338738638537
Energy: 0.9060650828744096
Energy: 0.6988968431549408
Energy: 0.5792861331724711
Energy: 0.584707408278434
Energy: 0.8408835387182145
Energy: 0.5793663304463567
Energy: 0.5485153324387084
Energy: 0.7362712137885515
Energy: 0.9509655596030467
Energy: 1.3391985358844651
Energy: 1.2136401528935992
Energy: 0.9491904438274187
Energy: 1.336499612066699
Energy: -0.7166434271437133
Energy: 0.5801731905415313
Energy: 0.5849277261058045
Energy: 0.5604267786886779
Energy: 0.8364792230068924
Energy: 0.5519641889769235
Energy: 0.6941172272901464
Energy: 0.5518772639121144
Energy: 0.5505453419202456
Energy: 0.5522918838821302
Energy: 0.5523620552954174
Energy: 0.5524204435837091
Energy: 0.6946226188076211
Energy: 0.5527886244583015
Energy: 0.5540842122428649
Energy: 0.5519256841142128
Energy: 0.5515986637652797
Energy: 0.5497777376826836
Energy: 0.9109103089264526
Energy: 0.550636267106927
Energy: 0.5690028243127787
Energy: 0.8335386345956755
Energy: 0.5623048688053769
Energy: 0.5471433580068177
Energy: 1.0698263975347804
Energy: 0.9053562494844973
Energy: 0.9062870267358119
Energy: 0.8943531734870674
Energy: 0.905155911233945
Energy: 0.9194997427536737
Energy: 0.7392865151126062
Energy: 0.5491736442267655
Energy: 0.5458913146027574
Energy: 0.8375991341230442
Energy: 0.5502373655806552
Energy: 0.5796783629429868
Energy: 0.7218355218578562
Energy: 0.7196785483408263
Energy: 0.5539117719309643
Energy: 0.5415382505801098
Energy: 0.816405789812703
Energy: 0.5549823385005218
Energy: 0.7438321213279756
Energy: 0.5827322227573264
Energy: 0.5816859845828852
Energy: 0.5822128679032164
Energy: 0.5498105298535609
Energy: 0.5812900556806103
Energy: -0.7417478395100513
Energy: 0.838493743590418
Energy: 0.5769048127400235
Energy: 0.552067251461529
Energy: 0.8489878758246162
Energy: 0.5758773002551281
Energy: -0.2332309958756788
Energy: 0.8382827156779927
Energy: 0.5800308161948662
Energy: 0.5540880699181027
Energy: 0.8475846388955189
Energy: 0.5763338052479066
Energy: 1.1355727038413446
Energy: 0.5605562227760365
Energy: 0.5759312059229688
Energy: 0.8349405982693324
Energy: 0.5627129740314889
Energy: 0.5691552531413823
Energy: 0.9106831865429832
Energy: 0.5555426191232272
Energy: 0.562568758308405
Energy: 0.8314813315854752
Energy: 0.5537826305416439
Energy: 0.8400109830273835
Energy: 0.7145856199950811
Energy: 0.5582010659688841
Energy: 0.550020741989142
Energy: 0.5407724034242656
Energy: 0.5528811177453491
Energy: 0.5488781405137559
Energy: 0.7206702178390352
Energy: 0.5503730984833309
Energy: 0.5481988184137568
Energy: 0.6138585520817038
Energy: 0.5533721495871283
Energy: 0.5496337501864479
Energy: 0.7149003800322224
Energy: 0.5517548262089741
Energy: 0.5508142123241124
Energy: 0.5587303405278096
Energy: 0.5478467462413146
Energy: 0.548458858235435
Energy: 1.151194133885381
Energy: 0.8359629795323943
Energy: 0.561105812825511
Energy: 0.8824404225392123
Energy: 0.8316923256196411
Energy: 0.9143677337689369
Energy: 1.2120128517607254
Energy: 0.5665365725312905
Energy: 0.5607701711399393
Energy: 0.5595972114315075
Energy: 0.8339918920610638
Energy: 0.5589383480203947
Energy: 1.0470726383326643
Energy: 0.5570685450107803
Energy: 0.5512248983524817
Energy: 0.846585013460803
Energy: 0.5650487492992785
Energy: 0.5758981854680119
Energy: 0.9510019556018633
Energy: 0.5661034396529854
Energy: 0.5548347989470637
Energy: 0.8332327805793838
Energy: 0.5709694238702293
Energy: 0.550515309295559
Energy: 0.8834915282194846
Energy: 0.5804798982471365
Energy: 0.5803303364396536
Energy: 0.8412200235059136
Energy: 0.5813806909479358
Energy: 0.5816080705221262
Energy: 0.8991150524694433
Energy: 0.9744533624222083
Energy: 0.9053917452978325
Energy: 0.9708933927586729
Energy: 0.9140745147242401
Energy: 0.9722331739448835
Energy: 1.109748064419899
Energy: 0.579427132001808
Energy: 0.5845193093910025
Energy: 0.842932825707663
Energy: 0.5722060770846326
Energy: 0.5874321757396901
Energy: 1.7029164612022414
Energy: 0.9479703622744743
Energy: 0.8384436091510881
Energy: 0.5498388964138616
Energy: 0.9464994013469562
Energy: 0.5603237804530402

minimum gb energy = -1.2085397531318982 eV
minimum distance =  2.43395697784323 Angstroms
sigma value = 67


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

Energy: 1.2108452296388807
Energy: 0.693995767508557
Energy: 0.6931945628107571
Energy: 0.6938734030486655
Energy: 1.0547896056899724
Energy: 0.6927423988577893
Energy: 0.7355874192069419
Energy: 0.6062213470314001
Energy: 0.6064188342780951
Energy: 0.6062199112188812
Energy: 0.6060291054168796
Energy: 0.6065106132237855
Energy: 0.6820118797838051
Energy: 0.5717232615287933
Energy: 0.5509693778698193
Energy: 0.5522643268168735
Energy: 0.5655924747075384
Energy: 0.5509681192881716
Energy: 0.6838116794466669
Energy: 0.5554763415944152
Energy: 0.5547549872572236
Energy: 0.558247021661228
Energy: 0.5543389618293674
Energy: 0.5550415121343921
Energy: 0.7199517245480747
Energy: 0.6076104093458222
Energy: 0.6077750320565589
Energy: 0.60794278336465
Energy: 0.6080798583375941
Energy: 0.6078492474194431
Energy: 0.7128057689571206
Energy: 0.5869616867590495
Energy: 0.6100521486627891
Energy: 0.6135260025439898
Energy: 0.5794135225071133
Energy: 0.6114797310698208
Energy: 0.7358514196634226
Energy: 0.6058011703642099
Energy: 0.6058985116020664
Energy: 0.5703483454440769
Energy: 0.605665013541785
Energy: 0.6059254182226819

minimum gb energy = 0.5509681192881716 eV
minimum distance =  2.43033312148072 Angstroms
sigma value = 3


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

Energy: 0.6567595766257591
Energy: 1.3293577313313216
Energy: 1.0199714950936853
Energy: 0.7196108865448572
Energy: 1.4874869379368523
Energy: 1.0207082953991409
Energy: 0.7367857387553857
Energy: 0.6079773921016091
Energy: 0.6072027832467394
Energy: 0.624707058657828
Energy: 0.6072369303277352
Energy: -2.003644493019659
Energy: 0.7467133225433917
Energy: -1.696585831621843
Energy: 0.642114428803758
Energy: 0.6577410423146113
Energy: 0.6385721877280419
Energy: 0.6498725398449731
Energy: 0.729014189446981
Energy: -2.024932502943315
Energy: -2.026137827096993
Energy: 0.6377664840658701
Energy: -1.681627599753077
Energy: 0.6399347301451487
Energy: 0.683507104594027
Energy: -2.478872501688447
Energy: -2.63865839858248
Energy: -2.6019931489845773
Energy: -2.4031878936451854
Energy: -2.6518069466280427
Energy: 0.7757786821609397
Energy: -2.146137511642567
Energy: -2.5949672900734626
Energy: 0.6034543790960045
Energy: -2.4840539524662755
Energy: -2.122789262825477
Energy: 0.7388574986180892
Energy: 0.5707777593371762
Energy: 0.5708472894846834
Energy: 0.5735404011965138
Energy: 0.5757910126509893
Energy: -2.1943426872510865
Energy: 0.635419387072498
Energy: 1.11470081402827
Energy: 0.8543077965768922
Energy: 0.6781125806616256
Energy: 1.1182350427661003
Energy: 0.8561162435330054
Energy: 0.5488747285334893
Energy: 0.6134150849712878
Energy: 0.6245716645708521
Energy: 0.6163323652880958
Energy: 0.6152912911811932
Energy: 0.6237488679249682
Energy: 1.0848306210395995
Energy: 0.6708314236643931
Energy: 0.670032401478835
Energy: 0.7415251891431125
Energy: 0.6715941666123972
Energy: 0.9010870102759053
Energy: 0.9279359264038604
Energy: 0.612024261162653
Energy: -2.6661274083409046
Energy: 0.6233450919055908
Energy: 0.5553222216804369
Energy: 0.6257539353230122
Energy: 0.7205212535747707
Energy: -2.733940281177173
Energy: -2.622852993453467
Energy: -2.7122763221790214
Energy: -2.5116494525772493
Energy: -2.6397424379504026
Energy: 0.7102662888232071
Energy: -2.5380313348033066
Energy: -2.162446456920856
Energy: 0.56323602926846
Energy: -2.4914318138493963
Energy: -2.6504507376035096
Energy: 0.7998372404480392
Energy: 0.6334058307002169
Energy: 0.6337268172562724
Energy: 0.6205912872405812
Energy: 0.6326217659263784
Energy: -2.0620527646572917
Energy: 0.7298369139238532
Energy: 0.6457684803252767
Energy: 0.6478728809532508
Energy: 0.6080904870335706
Energy: 0.5973395677682214
Energy: 0.6500913877563808
Energy: 0.749312475400481
Energy: 0.6268401396859693
Energy: -2.0758674101117114
Energy: 0.6110550268613644
Energy: 0.6282300187387998
Energy: -2.23236529429972
Energy: 0.813651433310858
Energy: 0.7925444559323257
Energy: 0.7917615544448499
Energy: -2.2339508102842895
Energy: 0.6717531360783376
Energy: 0.7745160065222985
Energy: 0.8196969193502016
Energy: 0.6286030977617456
Energy: 0.6198886594672625
Energy: 0.6325849627761024
Energy: 0.6261160860035604
Energy: 0.6227654718071975
Energy: 0.7647406202954005
Energy: 0.6497523541420877
Energy: 0.6494662500366549
Energy: 0.6472550372380337
Energy: 0.6240656345280534
Energy: 0.6547570606887435
Energy: 0.7482673475321606
Energy: 0.7739395042541156
Energy: 0.7758098563719662
Energy: 0.6542028699604516
Energy: 0.7756656444174502
Energy: 0.6582646376285934
Energy: 0.6994083191601839
Energy: 0.5574408406745752
Energy: 0.5569435616744934
Energy: 0.5620828887038425
Energy: 0.5650451297658029
Energy: 0.5574579205433223
Energy: 0.6942112764550173
Energy: 0.5595628091668832
Energy: 0.561416880571384
Energy: 0.5667341943351473
Energy: 0.5620275150102613
Energy: 0.5623594782322647
Energy: 0.7945556713129525
Energy: 0.5565440636838761
Energy: 0.5553627424653118
Energy: 0.5714703338428019
Energy: 0.5653648195107113
Energy: 0.5549459118344711
Energy: 0.8068441075201038
Energy: 0.6676759461773139
Energy: 0.66646163205659
Energy: 0.8383345317551916
Energy: 0.6684744360563782
Energy: 0.8360503461895511
Energy: 0.8931014525329543
Energy: -2.0913297022402495
Energy: -2.023820507312513
Energy: 0.5805152055896199
Energy: -2.0803431216858743
Energy: -2.073280455513063
Energy: 0.802113218740135
Energy: 0.6006548612983923
Energy: 0.5900169652347157
Energy: -1.929886411012841
Energy: 0.5988609817541688
Energy: 0.9133104418904936
Energy: -1.953345292884363
Energy: 0.6036037872479783
Energy: 0.5902432750544789
Energy: -2.10986144994123
Energy: 0.6010068860968716
Energy: 0.5821782727323949
Energy: 0.735738519787158
Energy: 0.6236523816939147
Energy: -2.080953341588141
Energy: 0.6415349398040998
Energy: 0.6230398027718451
Energy: -2.108006061355564
Energy: 0.7414282665588343
Energy: 0.6457976663328917
Energy: -1.756690684234498
Energy: 0.6494783759674778
Energy: 0.6479314097552185
Energy: 0.65705861504657
Energy: 0.8187784214690295
Energy: 0.7261324435715079
Energy: -2.5756511852794532
Energy: 0.7049434582999932
Energy: -2.093057673530807
Energy: -2.6863040079331255
Energy: 0.7787647811575679
Energy: 0.5934453971334802
Energy: 0.592719087754761
Energy: 0.6030805723743543
Energy: 0.590110384640447
Energy: 0.599001912168851
Energy: 0.7538917406081131
Energy: -2.4876999513800038
Energy: -2.4438149453791587
Energy: 0.56357488990975
Energy: -1.8012255023905188
Energy: -2.4951207614568918
Energy: 0.7736075324029152
Energy: 0.758422756268406
Energy: 0.7572868763571782
Energy: 0.6606002640967507
Energy: 0.7601292463789676
Energy: 0.6242313315674578
Energy: 0.688212606009905
Energy: 0.6169272236389848
Energy: 0.6203349365619374
Energy: -1.8552230253538637
Energy: 0.6163533224732249
Energy: 0.6258691265332249
Energy: 0.8176624389320257
Energy: -2.189040800842011
Energy: -1.7584059703597295
Energy: 0.6091866647447145
Energy: -2.2270530504755297
Energy: -2.4756754038106625
Energy: 0.9172139160832858
Energy: 0.6700281832428256
Energy: 0.6698013982418021
Energy: 0.7423532683946104
Energy: 0.6704195565657683
Energy: 0.9000451876099843
Energy: 0.7186815312378478
Energy: 0.5619030409901927
Energy: -2.672907410399825
Energy: -2.7086836748823107
Energy: 0.5550719517971706
Energy: -2.693442300680596
Energy: 0.703365530497996
Energy: 0.5968047168538334
Energy: 0.5953926883064834
Energy: 0.5464470481566592
Energy: 0.595985371896877
Energy: 0.5946360127658342
Energy: 0.7180436191258754
Energy: -2.685681772725966
Energy: -2.662935415731714
Energy: 0.7078974844871869
Energy: 0.5643640088966193
Energy: -2.6939459854816974
Energy: 0.7290270648551914
Energy: 0.652206539460031
Energy: 0.6526730408435223
Energy: 0.6019732409607614
Energy: 0.6519014691870976
Energy: 0.6531813819081006
Energy: 0.7494027573346352
Energy: -2.1425746804828174
Energy: -2.10806911643335
Energy: 0.6247557782916044
Energy: 0.6441782832970058
Energy: -2.0511290035290575
Energy: 0.8140075057951021
Energy: 0.626731957816263
Energy: 0.6270327654698877
Energy: 0.6490980605712865
Energy: 0.5927748085727323
Energy: 0.5945308455172977
Energy: 0.9392247539598917
Energy: 0.5952594744215328
Energy: 0.6635481067676675
Energy: 0.6389521115371511
Energy: 0.5954961681830901
Energy: 0.76000164820373
Energy: 0.8229966127565177
Energy: 0.6343189661588151
Energy: 0.6330310526710147
Energy: -2.0101669965210487
Energy: 0.6347410128928028
Energy: -2.01900178448656
Energy: 0.6465164377169665
Energy: 0.8372114123595076
Energy: 0.680498685482157
Energy: 0.6427201162750408
Energy: 0.834756602126878
Energy: 0.6826751394402659
Energy: 0.6973640423408185
Energy: 0.7056831813723261
Energy: 0.5580543888846232
Energy: 0.5676643740151242
Energy: 0.709592604823696
Energy: 0.553659200733947
Energy: 0.6932840127565183
Energy: 0.560366213396073
Energy: 0.5611861755646653
Energy: 0.560565680047502
Energy: 0.5650897221535189
Energy: 0.559429665032733
Energy: 0.699387408937026
Energy: 0.5593520072409589
Energy: 0.558434932614227
Energy: 0.5600114308289876
Energy: 0.564070010298867
Energy: 0.5579606750257957
Energy: 0.8064842398223085
Energy: -2.3981842942771636
Energy: -1.8643868044680862
Energy: 0.7757366412553716
Energy: 0.5899301503582567
Energy: 0.5838392466036642
Energy: 0.9009256709493416
Energy: -1.6583162622663405
Energy: -1.7411368388130561
Energy: 0.781193960242978
Energy: 0.6473661882933452
Energy: 0.6515143037854764
Energy: 0.7346301063229975
Energy: 0.6104640754683333
Energy: 0.6035889142512852
Energy: 0.5832512815119407
Energy: 0.6096249309783724
Energy: -2.0078003065856582

minimum gb energy = -2.733940281177173 eV
minimum distance =  2.3469181614522 Angstroms
sigma value = 81


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

Energy: 1.7607147393971738
Energy: 0.8707730083088825
Energy: 0.8716281671984372
Energy: 0.871799675625666
Energy: 0.6133706489841178
Energy: 0.8735834587316696
Energy: 0.8280841148859527
Energy: 0.6950874057232662
Energy: 0.6952829384730868
Energy: 0.5737321585047714
Energy: 0.6724951043458827
Energy: 0.6731380493120606
Energy: 0.6964180519706917
Energy: 0.5474809275024011
Energy: 0.5441332207155474
Energy: 0.5924542567233478
Energy: 0.5469683756561196
Energy: 0.5690803994005651
Energy: 0.6632311996184862
Energy: 0.5482658667571105
Energy: 0.5656585205568646
Energy: 0.5687776775305566
Energy: 0.5463972858017256
Energy: 0.5661051949403877
Energy: 0.6765498633055783
Energy: -1.3370703975548692
Energy: -1.4063656404913811
Energy: 0.575013801552962
Energy: -1.5066788252911467
Energy: -1.4002017262262212
Energy: 0.6848114384103569
Energy: 0.509745358030446
Energy: -1.3600055537905107
Energy: -1.591987563784492
Energy: 0.5185329296189255
Energy: -1.5207750844857126
Energy: 0.7670676021242305
Energy: -0.7381830540170913
Energy: -0.6828103379413447
Energy: 0.572172512206446
Energy: 0.7177487827020684
Energy: 0.6992744101851548
Energy: 0.6525648095088767
Energy: 0.7346206460442101
Energy: 0.7406665752030929
Energy: 0.5901009958736205
Energy: 0.7352814820556927
Energy: 0.5935944913342608
Energy: 0.8210666406204513
Energy: 0.6120229179871114
Energy: 0.6113260855018332
Energy: 0.7101325565065543
Energy: 0.6126844423121487
Energy: 0.6213324998511703
Energy: 0.7824882653019811
Energy: 0.5710175502678222
Energy: 0.5785459957988507
Energy: 0.7526996228706445
Energy: 0.5716746179814518
Energy: 0.5778483152663864
Energy: 0.8414043085384627
Energy: 0.5679204279146635
Energy: 0.5683585352389522
Energy: -1.2304469881668578
Energy: 0.6600378627827687
Energy: 0.5692419611226122
Energy: 0.6911853976521448
Energy: 0.6538312844027822
Energy: 0.6539909158620743
Energy: 0.5428179644838764
Energy: 0.6530983586439457
Energy: 0.6539481889994082
Energy: 0.6912182568038402
Energy: 0.650628838189994
Energy: 0.6503180161764519
Energy: 0.5472914539048095
Energy: 0.6521871140293647
Energy: 0.543549630461274
Energy: 0.7634697800385944
Energy: 0.5793657748575338
Energy: 0.580635505432242
Energy: 0.5894931618962416
Energy: 0.5823627381267079
Energy: 0.5808189071184491
Energy: 0.705881884948419
Energy: 0.6410846866675559
Energy: 0.5720792332408543
Energy: 0.5852084396331386
Energy: 0.5804108303551101
Energy: 0.5800907200258459
Energy: 0.7900045197703216
Energy: 0.6905014258861593
Energy: 0.6775710220147622
Energy: 0.6831693813589479
Energy: 0.6907175460433751
Energy: 0.6833765209016766
Energy: 0.7881581890348872
Energy: 0.5892337894176293
Energy: 0.589244681699712
Energy: 0.6941126723316634
Energy: 0.58936768601377
Energy: 0.5920146298088231
Energy: 0.8316229382183531
Energy: 0.6899191025864725
Energy: 0.6442355475663977
Energy: 0.6996557663793457
Energy: 0.6904615822811196
Energy: 0.6433150301119089
Energy: 0.7338730651153522
Energy: 0.5738976829688214
Energy: 0.5727876620738975
Energy: 0.5705538863685267
Energy: 0.5722254836781416
Energy: 0.5721488724033621
Energy: 0.7294678965747472
Energy: 0.5754634797641434
Energy: 0.5716767076392414
Energy: 0.5738019602159419
Energy: 0.5742724965129058
Energy: 0.5666067788847667
Energy: 0.7908278080749459
Energy: 0.6420271851871504
Energy: 0.6400484647391678
Energy: 0.6436050407889976
Energy: 0.6441944970829924
Energy: 0.6391075896325331
Energy: 0.8009968523983779
Energy: 0.5475356480442951
Energy: 0.5480722458662931
Energy: 0.6363098878249976
Energy: 0.546895934717141
Energy: 0.5489259938207016
Energy: 0.8012113382736598
Energy: 0.6405966335889249
Energy: 0.6399406632095644
Energy: 0.6441621065596895
Energy: 0.6424100934310643
Energy: 0.6415582184606488
Energy: 0.7026587500828225
Energy: 0.5782399975615604
Energy: 0.5789795578272102
Energy: 0.5790174144807217
Energy: 0.5696431245191201
Energy: 0.5802273519345094
Energy: 0.6774244633236953
Energy: 0.573622730969624
Energy: 0.5741221458905187
Energy: 0.5793832997048863
Energy: 0.5777840369664446
Energy: 0.5767132218220385
Energy: 0.7588123543912888
Energy: 0.6901395767978306
Energy: 0.6889370661699619
Energy: 0.5925202328756399
Energy: 0.6933565330511416
Energy: 0.6881089659980743
Energy: 0.7568457214604869
Energy: 0.6896907862239349
Energy: 0.6889074535850755
Energy: 0.5926840716046511
Energy: 0.6914653375964881
Energy: 0.6884715394834625
Energy: 0.851671740266955
Energy: 0.6055962944371803
Energy: 0.6967140008945419
Energy: 0.6867209902761556
Energy: 0.5999221577903695
Energy: 0.692015706957603
Energy: 0.7789920041631554
Energy: 0.5710939994250376
Energy: 0.5679772023618024
Energy: 0.6872955421857582
Energy: 0.5668110720108339
Energy: 0.7089244559154414
Energy: 0.8240504332489824
Energy: -1.5980674252261244
Energy: -1.3699161989203166
Energy: -1.291596477361682
Energy: 0.5427545765243303
Energy: 0.648729983664148
Energy: 0.6882247275616681
Energy: -1.5005373025251938
Energy: 0.5757228759752523
Energy: 0.5422452438198606
Energy: 0.5814273262300218
Energy: 0.5445123677684489
Energy: 0.7578596519283751
Energy: -1.1736600288465318
Energy: -1.044153247176999
Energy: 0.6482013172769135
Energy: 0.6899959947604057
Energy: -0.9950794116474897
Energy: 0.7135410679617961
Energy: -1.2999929361699138
Energy: -1.0207127129827556
Energy: -0.8777571065425276
Energy: -0.7060708602397825
Energy: -1.089252011954207
Energy: 0.715990638609635
Energy: -1.3585259335538018
Energy: -1.59504465241751
Energy: 0.5696435712925931
Energy: -1.3547415397250844
Energy: -1.2681386774595722
Energy: 0.8064358329750457
Energy: 0.7308815279728025
Energy: 0.711192816657458
Energy: 0.6334659187085445
Energy: 0.5926684302938395
Energy: 0.7137302274727656
Energy: 0.7281549512881945
Energy: 0.588954519119503
Energy: 0.58991420781205
Energy: 0.6360955019532781
Energy: 0.5898329258066728
Energy: 0.6337628287776522
Energy: 0.7319142349424985
Energy: 0.7234300720411783
Energy: 0.7238900583843436
Energy: 0.6264093940305553
Energy: 0.7228957527383962
Energy: 0.7243373150743838
Energy: 0.642212085329347
Energy: 0.8459373138197145
Energy: 0.6962907439961616
Energy: 0.6965119025047981
Energy: 0.8459524629918781
Energy: 0.7419762859519987

minimum gb energy = -1.5980674252261244 eV
minimum distance =  2.38104677106375 Angstroms
sigma value = 43


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

Energy: 0.9935220242287881
Energy: 0.5656374792932917
Energy: 0.8684894479386773
Energy: 0.625025420897261
Energy: 0.9788227195063869
Energy: 0.6249577000778911
Energy: 0.650321357492588
Energy: 0.7043840697093446
Energy: 0.6854790171319711
Energy: 0.5560969965791591
Energy: 0.5380494033701959
Energy: -0.5226831303586533
Energy: 0.6371285880253276
Energy: 0.5381170139967809
Energy: 0.5388533707914986
Energy: 0.561129238464501
Energy: 0.5392511926438068
Energy: 0.5525478332820921
Energy: 0.6262576368074216
Energy: 0.5394888498407578
Energy: 0.549829532210262
Energy: 0.554029249666732
Energy: 0.5399431973949474
Energy: 0.550528809181107
Energy: 0.6376909161975728
Energy: 0.5096728377430089
Energy: 0.5103847209563058
Energy: 0.5088704841599809
Energy: 0.5093382336954267
Energy: 0.5113042444904526
Energy: 0.6335047190651959
Energy: 0.5108773796383309
Energy: 0.5109515262404724
Energy: 0.5087894951088303
Energy: 0.5100543099005961
Energy: 0.510895522587491
Energy: 0.7369059522565075
Energy: 0.5170855986717576
Energy: 0.5195200596698768
Energy: -1.2220976940181565
Energy: 0.5164652517509023
Energy: 0.5169544230996962
Energy: 0.6976860990312339
Energy: 0.5543741477454359
Energy: -0.34818781136322546
Energy: 0.5353343944622556
Energy: 0.5602074084807571
Energy: 0.5338096314655475
Energy: 0.7080792692986795
Energy: 0.5537178902398913
Energy: 0.5531834851024308
Energy: -0.2476896694762889
Energy: 0.5544008155846538
Energy: 0.551336733610056
Energy: 0.7604422117936617
Energy: 0.7221505985728255
Energy: 0.7135795452066549
Energy: -0.35886347380371053
Energy: -0.42533645623454414
Energy: 0.718131564254054
Energy: 0.7214302184182102
Energy: -0.25459676503434103
Energy: -0.2094921226379378
Energy: 0.47543319535962586
Energy: 0.5891876227710943
Energy: 0.40724429642675297
Energy: 0.723220272489618
Energy: 0.5516779890322138
Energy: 0.5498329721495884
Energy: 0.5677718888908637
Energy: 0.5531620293527795
Energy: 0.5504358009709981
Energy: 0.7311714908254118
Energy: -0.046741011426817386
Energy: 0.5749637023867873
Energy: 0.5560701929077851
Energy: 0.5543614287006896
Energy: 0.5742614040415106
Energy: 0.6303413295068145
Energy: -0.7597392097345201
Energy: -0.9895279866327265
Energy: -0.9385226833462831
Energy: -0.9647714863688395
Energy: -0.7758634592412802
Energy: 0.6310352119976002
Energy: -0.9279746619719647
Energy: -1.1175148843106977
Energy: -0.7364165087932276
Energy: 0.5109301881272181
Energy: -0.9069061145007798
Energy: 0.70660151104097
Energy: -0.7599914436846872
Energy: 0.5129466376480296
Energy: -1.0080884240731467
Energy: -0.4658520349525209
Energy: 0.5135755945530792
Energy: 0.6412400078154653
Energy: 0.5255065407783032
Energy: 0.5252819237304837
Energy: -0.5748593087611439
Energy: 0.5194769718601614
Energy: 0.5257090430847702
Energy: 0.6406078762776228
Energy: 0.5263855422968952
Energy: 0.5267097957353588
Energy: 0.5268288945945218
Energy: 0.5254966792371492
Energy: 0.5273144701506178
Energy: 0.7502419986710709
Energy: 0.5622341872875413
Energy: 0.5592351454963983
Energy: 0.584404079030288
Energy: 0.45036167384064923
Energy: 0.7130692379793266
Energy: 0.7545732502502229
Energy: 0.44715289436575806
Energy: 0.5926663284694701
Energy: 0.5817718422822249
Energy: -0.7575038986906666
Energy: 0.7126912859373586
Energy: 0.9414191989690719
Energy: -0.23892050528416767
Energy: -0.2580525683427999
Energy: 0.5267109531272072
Energy: -0.6755778158913259
Energy: -0.5493224288489725
Energy: 0.8587645444034718
Energy: 0.5971290068724346
Energy: 0.5966428410743925
Energy: 0.7895233052432946
Energy: 0.5723669962776061
Energy: 0.5692616492057749
Energy: 0.6874005736209828
Energy: -0.7212661344133791
Energy: -0.653340668070954
Energy: 0.5288750238332518
Energy: 0.5291582253429014
Energy: -0.5694518919082714
Energy: 0.687175284128853
Energy: -0.6903344872840148
Energy: -0.6856744202383883
Energy: 0.5204228071071559
Energy: -0.6445806653262459
Energy: -0.684967646044894
Energy: 0.7726973756895634
Energy: 0.530433461072767
Energy: 0.5294256453152207
Energy: 0.6517175411670916
Energy: 0.5292610329794835
Energy: 0.5276068921371352
Energy: 0.65816854427368
Energy: -0.8387875739222133
Energy: -0.9456276176406624
Energy: -0.8915257168133454
Energy: -0.8190388349012815
Energy: -0.9048159696269455
Energy: 0.6596161199557399
Energy: -1.2081152409435885
Energy: -1.0479146332287614
Energy: -1.0871564301116838
Energy: -0.7555610586613556
Energy: -1.0129166688669562
Energy: 0.6576263900313791
Energy: -0.9516650552191737
Energy: -0.8912010383529095
Energy: -0.9213241158641238
Energy: -0.7704922664415009
Energy: -0.9521033655455844
Energy: 0.7853919310194547
Energy: 0.5635763941428442
Energy: 0.5646370581865627
Energy: 0.6685617986022558
Energy: 0.5482239111849918
Energy: 0.5677378430695327
Energy: 0.6326781019677769
Energy: -0.33800183107078374
Energy: -0.43739392221855466
Energy: 0.5557267297252191
Energy: -0.9407377085949592
Energy: -0.5286845051205138
Energy: 0.7883144942515673
Energy: 0.5554866429633083
Energy: 0.8682147067563508
Energy: 0.6043523004393536
Energy: 0.5635204641219332
Energy: 0.8146589258402529

minimum gb energy = -1.2220976940181565 eV
minimum distance =  2.37687288413065 Angstroms
sigma value = 57


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

Energy: 0.988419305924887
Energy: 0.6701219822694268
Energy: 0.5516674660896386
Energy: 0.5166118550663493
Energy: 0.7260575008244291
Energy: 0.6629678781655006
Energy: 0.636943684806941
Energy: 0.5300791173328054
Energy: 0.5292765489732725
Energy: 0.48371037927782246
Energy: 0.5074951774880863
Energy: 0.5298262499813641
Energy: 0.8158055838693967
Energy: 0.5789672384800786
Energy: 0.5786794547156389
Energy: 0.4852397908447502
Energy: 0.5759603351332724
Energy: 0.5782036330781851
Energy: 0.8899784093496835
Energy: 0.5808460693190555
Energy: 0.5801534809049314
Energy: 0.7049142794863508
Energy: 0.5800690523443698
Energy: 0.6575279142740792
Energy: 0.7762023437745463
Energy: 0.6951985511875022
Energy: 0.7096670819952712
Energy: 0.7010005551211191
Energy: 0.7105573025239198
Energy: 0.6945995863082028
Energy: 0.700753551983727
Energy: 0.6911206150316547
Energy: 0.6889154182970703
Energy: 0.7085254449473968
Energy: 0.6896401784785963
Energy: 0.6902715765632205
Energy: 0.8656524242259959
Energy: 0.7239755693228361
Energy: 0.7244850988111645
Energy: 0.7216393521294128
Energy: 0.7182943631692985
Energy: 0.722349257092676
Energy: 0.7466333144971192
Energy: -0.14380199142056183
Energy: 0.769027615099502
Energy: 0.6119832206297058
Energy: -0.34773026784209493
Energy: 0.7289482141332009
Energy: 0.8882390415639319
Energy: 0.7304357839169819
Energy: 0.7303228777532439
Energy: 0.7227361733845433
Energy: 0.7311997012569672
Energy: 0.7293649004509841
Energy: 0.8290383383119903
Energy: 0.6300827269033903
Energy: 0.6293956111167561
Energy: 0.8095486117266057
Energy: 0.6304947572340758
Energy: 0.6294240138610395
Energy: 0.8173330093385452
Energy: 0.641063499433422
Energy: 0.7183282718053028
Energy: 0.7793288797762096
Energy: 0.6289812816373989
Energy: 0.7178999804485543
Energy: 0.5905985251618068
Energy: 0.708481385825721
Energy: 0.7090944297180322
Energy: 0.48151784396472563
Energy: 0.7242802059292802
Energy: 0.5357083745224277
Energy: 0.6779467097890247
Energy: 0.7122358512585764
Energy: 0.5347354790467207
Energy: 0.5360240090673417
Energy: 0.7098199886047409
Energy: 0.5353585440328327
Energy: 0.9445463221956026
Energy: 0.717087077648465
Energy: 0.7198302890388824
Energy: -1.0324910264976785
Energy: 0.712560624987733
Energy: 0.7193088375643595
Energy: 0.7180357238631236
Energy: 0.6011169577799136
Energy: 0.6005154814472172
Energy: 0.745795931136235
Energy: 0.5763446379087853
Energy: 0.6005280855019447
Energy: 0.8747796692437018
Energy: 0.715960537118134
Energy: 0.7167501106298105
Energy: 0.708663503338663
Energy: 0.7095948870876518
Energy: 0.7166549800936651
Energy: 0.7884310376310087
Energy: 0.6978952261587807
Energy: 0.6980716819228762
Energy: 0.6977439531768579
Energy: 0.6984312120359478
Energy: 0.6979780061181233
Energy: -1.0534306608440334
Energy: 0.7001396421785138
Energy: 0.6986737457272361
Energy: 0.6986522426689997
Energy: 0.6982623684467926
Energy: 0.7000437847519727
Energy: 0.897894248690825
Energy: 0.7095740589873406
Energy: 0.7086834110915634
Energy: 0.7206670596151532
Energy: 0.7090163918902173
Energy: 0.7100289731058628
Energy: -1.1633654869977461
Energy: 0.7178077534261966
Energy: 0.7238941829222919
Energy: 0.725826189422197
Energy: 0.7213279015979894
Energy: 0.7173898834355563
Energy: 0.8877001195692633
Energy: 0.6700045555878339
Energy: 0.7276277859337645
Energy: 0.7111375099081403
Energy: -1.420205724580527
Energy: -0.19212524521314356
Energy: 1.0821033987864292
Energy: 0.6284881476185193
Energy: 0.6556354942103677
Energy: 0.8446653902672429
Energy: 0.6285932657522981
Energy: 0.6548095766305772
Energy: 0.5569776873172996
Energy: 0.5273892836455867
Energy: -0.16469445504041055
Energy: 0.4864821316380407
Energy: 0.6737167594082312
Energy: 0.5263879154753475
Energy: 0.8463309301776927
Energy: 0.5210278360469737
Energy: 0.5350526364991743
Energy: 0.535633222713264
Energy: 0.5263420312635902
Energy: 0.6521146471418869

minimum gb energy = -1.420205724580527 eV
minimum distance =  2.40633019701289 Angstroms
sigma value = 17


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

Energy: 0.8810896344527211
Energy: 0.4452051352857411
Energy: 0.44251616146307476
Energy: 0.4800610564160344
Energy: 0.6827733026742263
Energy: 0.47986898071179124
Energy: 0.5693292170920887
Energy: 0.4378511571201151
Energy: 0.43752389265045866
Energy: 0.4441257779223338
Energy: 0.43826702293005787
Energy: 0.4373205423301646
Energy: 0.4269311050618107
Energy: 0.43988858564796024
Energy: 0.43711801652309734
Energy: 0.43727268478937786
Energy: 0.44017838211162025
Energy: 0.4347264111538587
Energy: 0.6653752699055396
Energy: 0.44118347221579324
Energy: 0.4401288694920183
Energy: 0.4380170187417743
Energy: 0.4484817672777285
Energy: 0.44416075414111333
Energy: 0.675265544959513
Energy: 0.411910790556401
Energy: 0.4124938201477229
Energy: 0.42293914663684296
Energy: 0.41149233703289745
Energy: 0.41364299298216073
Energy: 0.6371822184314745
Energy: 0.41630232775595527
Energy: 0.4168984044113797
Energy: 0.41194274229467803
Energy: 0.4131047074311907
Energy: 0.40981822024863646
Energy: 0.6744873151196452
Energy: 0.41833047433095166
Energy: 0.4179685822291689
Energy: 0.41556277003347214
Energy: 0.41778419006704703
Energy: 0.4172959032562262
Energy: 0.5557854443306948
Energy: 0.4182140951103499
Energy: 0.4180763895264521
Energy: 0.41831449600976217
Energy: 0.41822191907915435
Energy: 0.41812465838463775
Energy: 0.5369641083953569
Energy: 0.4163602823342428
Energy: 0.41716648319550614
Energy: 0.4171286451081124
Energy: 0.41541237521878077
Energy: 0.41769387213356346
Energy: 0.537069357276717
Energy: 0.4136602262720844
Energy: 0.41505286142171927
Energy: 0.4108139380296259
Energy: 0.4144607840759895
Energy: 0.41397575205432413
Energy: 0.5367653399220912
Energy: 0.414459079332829
Energy: 0.41389827162784437
Energy: 0.41135622742081224
Energy: 0.4147357723860276
Energy: 0.4129939183342312
Energy: 0.6025373240390672
Energy: 0.43729411637646315
Energy: 0.4376063889016841
Energy: 0.43622602715542264
Energy: -0.869589445031864
Energy: 0.44385483049722024
Energy: 0.6050936592453185
Energy: 0.43743578227696744
Energy: 0.4378506060076244
Energy: 0.440722764737566
Energy: 0.4369992314414342
Energy: 0.4374348653403993
Energy: 0.6707794091060681
Energy: 0.43458360382501604
Energy: 0.44390474896561627
Energy: 0.43798136977069646
Energy: 0.4253140837469288
Energy: 0.4413311585360602
Energy: 0.7038718163469121
Energy: 0.4805744319651402
Energy: 0.47683238722205173
Energy: 0.41363422834730323
Energy: 0.47668156666904943
Energy: 0.48347088074127786
Energy: 0.6686515420863338
Energy: 0.4274381160740748
Energy: 0.43562821013451425
Energy: 0.44234842050030637
Energy: 0.427815704461854
Energy: 0.43622836157505085
Energy: 0.7518836722948874
Energy: 0.4359527686440995
Energy: 0.4772326988834122
Energy: 0.45823264890713344
Energy: 0.43520093835396206
Energy: 0.46535216369331744

minimum gb energy = -0.869589445031864 eV
minimum distance =  2.40627428491304 Angstroms
sigma value = 17


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

Energy: 0.8384448290278514
Energy: 0.4171378859441942
Energy: 0.45128641617730586
Energy: 0.44014125142783744
Energy: 0.4604993858488286
Energy: 0.43755988193043766
Energy: 0.6840757252773765
Energy: 0.4201005290523314
Energy: 0.42066025181010436
Energy: 0.4203481750025037
Energy: 0.419634106789544
Energy: 0.42766393517850576
Energy: 0.4802830401177556
Energy: 0.3957776981620606
Energy: 0.40781965131891335
Energy: 0.4255703876409122
Energy: 0.39607598829872026
Energy: 0.408691458606861
Energy: 0.7097145354768636
Energy: 0.41349582433371007
Energy: 0.409738789981414
Energy: 0.4228486152561984
Energy: 0.39000161927487315
Energy: 0.41111406831651987
Energy: 0.692179598618518
Energy: 0.3950844643804086
Energy: 0.3930636237770936
Energy: 0.4773735585997319
Energy: 0.3957545744955266
Energy: 0.3926068751214111
Energy: 0.5410146889443361
Energy: 0.39281912927698476
Energy: 0.3903871126891419
Energy: 0.38913688343508285
Energy: 0.3920117762090349
Energy: 0.3899882620596414
Energy: 0.7187032418933824
Energy: 0.3874974035264381
Energy: 0.3888007302179371
Energy: 0.38687189310686176
Energy: 0.38529467742651663
Energy: 0.37534409244394074
Energy: 0.5169428466347951
Energy: 0.39129205392214983
Energy: 0.3827857126128802
Energy: 0.38706642317495915
Energy: 0.3908494229714504
Energy: 0.3822263284906569
Energy: 0.511800293088375
Energy: 0.388050484577936
Energy: 0.3771100335416722
Energy: 0.39341919649571516
Energy: 0.4006777487739216
Energy: 0.38559740838915907
Energy: 0.5129160863075585
Energy: 0.3886553412089295
Energy: 0.38850928861121553
Energy: 0.39065720054452285
Energy: 0.38918324853159253
Energy: 0.3886532595826042
Energy: 0.6601388158258257
Energy: 0.38898108264687314
Energy: 0.3884213791665079
Energy: 0.389806029605499
Energy: 0.38862892122449555
Energy: 0.38835570002056347
Energy: 0.7047032378908445
Energy: 0.3878146730853326
Energy: 0.38714587025037406
Energy: 0.3892024812341082
Energy: 0.37609790594724407
Energy: 0.3776919643801531
Energy: 0.5339306282832046
Energy: 0.3855613215881789
Energy: 0.3815793038486738
Energy: 0.3787963800071232
Energy: 0.38676595705870837
Energy: 0.38039552291624484
Energy: 0.5336918882951303
Energy: 0.3881368561692312
Energy: 0.3884998170890672
Energy: 0.38077657129709025
Energy: 0.3883087467585358
Energy: 0.3888996505560106
Energy: 0.6727983864857161
Energy: 0.39713658549903025
Energy: 0.39826193501133833
Energy: 0.3932109957665635
Energy: 0.39394285432287623
Energy: 0.3944876563775595
Energy: 0.39498529231473534
Energy: 0.3908744999164913
Energy: 0.39242619308986937
Energy: 0.3960604527901207
Energy: 0.39177540207937683
Energy: 0.39409457629099615
Energy: 0.6500463335380086
Energy: 0.5099844573436569
Energy: 0.5151811015455028
Energy: 0.3948689232726958
Energy: 0.4500595339610274
Energy: 0.40358233775589597
Energy: 0.6958494310479719
Energy: 0.4160689865860516
Energy: 0.41453237432091133
Energy: 0.4812760344260411
Energy: 0.41749151595410083
Energy: 0.40334468470346585
Energy: 0.39590083254191755
Energy: 0.426887345927354
Energy: 0.42939427416637765
Energy: 0.3945542903858724
Energy: 0.4121740241697143
Energy: 0.42095439624752845
Energy: 0.7520480010503129
Energy: 0.43445309147910266
Energy: 0.43670076478572645
Energy: 0.42123861388029826
Energy: 0.4209872855077725
Energy: 0.4549436603656266
Energy: 0.7534784513092977
Energy: 0.4241315617993755
Energy: 0.42151080922767087
Energy: 0.4198041142165784
Energy: 0.42454198025826395
Energy: 0.4214000648847123
Energy: 0.6496627195161556
Energy: 0.3986031883265769
Energy: 0.439659645988015
Energy: 0.428304716754228
Energy: 0.4128992412659144
Energy: 0.42829252475075236
Energy: 0.7367730395150484
Energy: 0.43118610561871723
Energy: 0.43187545660824334
Energy: 0.4379657127483883
Energy: 0.4236279528218599
Energy: 0.45866161081786955
Energy: 0.7358385427983882
Energy: 0.42743370849515655
Energy: 0.4298366717791598
Energy: 0.42578771563533047
Energy: 0.37807868394804234
Energy: 0.43082059041543513
Energy: 0.7106353642479938
Energy: 0.39986150803131854
Energy: 0.41260914740719523
Energy: 0.4954920596536703
Energy: 0.399504107873955
Energy: 0.4115475247223688
Energy: 0.6887560327549265
Energy: 0.3955834210734145
Energy: 0.39523093291462014
Energy: 0.39959693389247175
Energy: 0.3963001710689973
Energy: 0.39349084173696053
Energy: 0.6735201404571299
Energy: 0.40978145859204107
Energy: 0.3923745174223167
Energy: 0.3832453735410293
Energy: 0.39509755492516646
Energy: 0.38808934549126656
Energy: 0.5470003050066391
Energy: 0.41048115799932444
Energy: 0.40926223305002973
Energy: 0.39027966066764397
Energy: 0.4120568452284626
Energy: 0.4092645142923062
Energy: 0.5122793409483933
Energy: 0.37728039072813635
Energy: 0.38669631170400076
Energy: 0.38716027178833895
Energy: 0.3832607827406826
Energy: 0.38656164183677916
Energy: 0.5504247836156144
Energy: 0.3905272565199351
Energy: 0.38011535445260325
Energy: 0.3790927703330823
Energy: 0.390447515492955
Energy: 0.3796716329190408
Energy: 0.5507174249319529
Energy: 0.38855792602689115
Energy: 0.3881742677947283
Energy: 0.39034105555937115
Energy: 0.38974836869186713
Energy: 0.3879413123145911
Energy: 0.5574672864610793
Energy: 0.3892005415863939
Energy: 0.3882404033006161
Energy: 0.515134582136052
Energy: 0.39083430239800976
Energy: 0.38825290050705785
Energy: 0.7674467813205407
Energy: 0.3893976599112009
Energy: 0.387905459423197
Energy: 0.3955045311842135
Energy: 0.3895768639940891
Energy: 0.38816272056285334
Energy: 0.7482615119085144
Energy: 0.37527104817702966
Energy: 0.38805612097695186
Energy: 0.38642791499124013
Energy: 0.38615237744957703
Energy: 0.3875093584263858
Energy: 0.5359692266069185
Energy: 0.38652102587321163
Energy: 0.38688254818298495
Energy: 0.46748680801796166
Energy: 0.3868702295938755
Energy: 0.3869203282783935
Energy: 0.6647738822932407
Energy: 0.39078926454210283
Energy: 0.39108949990819053
Energy: 0.38782300760412386
Energy: 0.3921880405494374
Energy: 0.3901834499261194
Energy: 0.6917214883541395
Energy: 0.3908284462791028
Energy: 0.39007380726797286
Energy: 0.3949196179294996
Energy: 0.40988274198667285
Energy: 0.38937597830834914
Energy: 0.5533330228664547
Energy: 0.38663408138852057
Energy: 0.3870209846269359
Energy: 0.3883123500584182
Energy: 0.38699932390826924
Energy: 0.386572026972031
Energy: 0.7018632013148927
Energy: 0.4217291527620442
Energy: 0.42504007518047343
Energy: 0.40869844599877964
Energy: 0.4226480268716579
Energy: 0.42362320018789223
Energy: 0.5693387883221537
Energy: 0.4242949111465377
Energy: 0.4232377483521747
Energy: 0.3959504907652737
Energy: 0.424400120391959
Energy: 0.42795780639916936
Energy: 0.7118512251267811
Energy: 0.4175722289413409
Energy: 0.44320905808936867
Energy: 0.42246259520955787
Energy: 0.41807102852696504
Energy: 0.4436112095404035
Energy: 0.7475356156639192
Energy: 0.4489517941641107
Energy: 0.4490907447688471
Energy: 0.4255685297874743
Energy: 0.4032815489648188
Energy: 0.43101998871608216
Energy: 0.7369421606806419
Energy: 0.418962672539221
Energy: 0.41669034919302594
Energy: 0.43420283317248337
Energy: 0.4197224462380938
Energy: 0.4581999815694538

minimum gb energy = 0.37527104817702966 eV
minimum distance =  2.39109988967642 Angstroms
sigma value = 57


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

Energy: 0.6110747083950115
Energy: 0.44483323697867416
Energy: 0.42873120225588535
Energy: 0.38162552282937745
Energy: 0.6256304025822416
Energy: 0.428024289151961
Energy: 0.6669704605554247
Energy: 0.49485611664814483
Energy: 0.4096327023435292
Energy: 0.47979919612021055
Energy: 0.49929469636904833
Energy: 0.4116682736983549
Energy: 0.692525526818086
Energy: 0.3719166553171858
Energy: 0.3718766125603766
Energy: 0.4700021772816664
Energy: 0.3709538658428488
Energy: 0.3933591997458909
Energy: 0.7288890858770385
Energy: 0.37127953370723144
Energy: 0.39219857995074964
Energy: 0.4125060551384982
Energy: 0.3940528198075811
Energy: 0.39387953392783204
Energy: 0.701483611873673
Energy: 0.38076530798193214
Energy: 0.3802308217879961
Energy: 0.39488257065615623
Energy: 0.3804730572031204
Energy: 0.37793434616930094
Energy: 0.6108896619333812
Energy: 0.37925147885800453
Energy: 0.37027224673146064
Energy: 0.3593571211555627
Energy: 0.37922376944822644
Energy: 0.36925670908088465
Energy: 0.7252435554191862
Energy: 0.4274968692530444
Energy: 0.3620038892165152
Energy: 0.366907138858621
Energy: 0.47572113578458114
Energy: 0.3622280514628004
Energy: 0.5903779440510806
Energy: 0.3499814404090864
Energy: 0.3574100429743245
Energy: 0.36227374657247524
Energy: 0.35033714373601066
Energy: 0.4720762330018596
Energy: 0.6383638316971656
Energy: 0.37682496750257094
Energy: 0.3599922382705662
Energy: 0.423382503499764
Energy: 0.37846664380557277
Energy: 0.362978544701597
Energy: 0.6462810464492665
Energy: 0.3625153439498458
Energy: 0.3627377317840281
Energy: 0.4690901003086022
Energy: 0.3619723972806532
Energy: 0.36326527261425606
Energy: 0.6790055261296618
Energy: 0.4630249943491777
Energy: 0.36438617051973715
Energy: 0.3656084785833478
Energy: 0.46125912511117123
Energy: 0.3618512405666308
Energy: 0.6772869445581717
Energy: 0.4593812636043559
Energy: 0.3649295196395467
Energy: 0.365915548443115
Energy: 0.45835418253838167
Energy: 0.36694057618768616
Energy: 0.6643394851363311
Energy: 0.4624301534311701
Energy: 0.46199853453391565
Energy: 0.36794976547203373
Energy: 0.42045827436694216
Energy: 0.4625827693981859
Energy: 0.6283191530475485
Energy: 0.36617405740607833
Energy: 0.3663597566406614
Energy: 0.49566406076870445
Energy: 0.43764624889760306
Energy: 0.3665855502733587
Energy: 0.6238665218372771
Energy: 0.36394363446552785
Energy: 0.36412692897314347
Energy: 0.4652968099049346
Energy: 0.3653813467484114
Energy: 0.36508100420615136
Energy: 0.6582074984021518
Energy: 0.4714829203685214
Energy: 0.36348018155907785
Energy: 0.3614400805322514
Energy: 0.4697293186769143
Energy: 0.3617017861208271
Energy: 0.6428393640928876
Energy: 0.3626253712708789
Energy: 0.36190526239893567
Energy: 0.3651865563629597
Energy: 0.36297115218436243
Energy: 0.35659278241892556
Energy: 0.6476687394749089
Energy: 0.36251247080696203
Energy: 0.3616746886313884
Energy: 0.4243434977414704
Energy: 0.3618284202535463
Energy: 0.3573159803163391
Energy: 0.6670206289682782
Energy: 0.3694303363832514
Energy: 0.3642663847642727
Energy: 0.4096113748830623
Energy: 0.36775994057251277
Energy: 0.36166864665177595
Energy: 0.6546229616638214
Energy: 0.36740894409573205
Energy: 0.42716792332775927
Energy: 0.3876690760079585
Energy: 0.36786312150374134
Energy: 0.37752179398934005
Energy: 0.6561766783948351
Energy: 0.3807276188904897
Energy: 0.3787564091388609
Energy: 0.3839043434729131
Energy: 0.4402809610321386
Energy: 0.38121706500712255
Energy: 0.6153649161290469
Energy: 0.4046966657851523
Energy: 0.3845362194356748
Energy: 0.36904696014150845
Energy: 0.4419440558057748
Energy: 0.38397654478525084
Energy: 0.6211211123766589
Energy: 0.41073127561519446
Energy: 0.4093447594877019
Energy: 0.49953143925240057
Energy: 0.41089714579493214
Energy: 0.4037184397431618
Energy: 0.712804092273296
Energy: 0.39322549261926826
Energy: 0.4132427293667007
Energy: 0.3866492166657795
Energy: 0.39193375546142994
Energy: 0.4097547307743644
Energy: 0.7198670727071542
Energy: 0.38982581122585563
Energy: 0.39177832507546
Energy: 0.4164602864868919
Energy: 0.38963746284968226
Energy: 0.4175827091963773
Energy: 0.722316095880428
Energy: 0.4109170596387482
Energy: 0.49065467556795844
Energy: 0.4827530753514892
Energy: 0.4109304624460162
Energy: 0.4117457814080514
Energy: 0.6128413867355993
Energy: 0.4189297537687388
Energy: 0.4036191553134562
Energy: 0.37746013004087603
Energy: 0.4204278715231138
Energy: 0.4014339932064583

minimum gb energy = 0.3499814404090864 eV
minimum distance =  2.42456783853122 Angstroms
sigma value = 43


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

Energy: 0.5202205462341961
Energy: 0.40406170598352115
Energy: 0.38910635469337435
Energy: 0.41218348394135224
Energy: 0.45686184861906204
Energy: 0.3853660809651509
Energy: 0.5416015829085181
Energy: 0.32029332451847436
Energy: 0.40684282117722914
Energy: 0.38997483380266124
Energy: 0.3188909338630762
Energy: 0.4065406620831264
Energy: 0.7140401562034738
Energy: 0.32323704376048495
Energy: 0.32946766465517696
Energy: 0.3588086237943052
Energy: 0.32298625310674683
Energy: 0.3294468146639097
Energy: 0.5931671124440868
Energy: 0.3290211675631597
Energy: 0.3291642605217393
Energy: 0.3194630061644777
Energy: 0.3815114865995972
Energy: 0.3375584083177364
Energy: 0.5817281056896499
Energy: 0.3186587201831066
Energy: 0.3185765431977065
Energy: 0.30109751902847764
Energy: 0.31892004010946645
Energy: 0.31838330647004714
Energy: 0.5119760692498564
Energy: 0.3195739651909584
Energy: 0.3144738437319428
Energy: 0.32149225865186853
Energy: 0.351110594382809
Energy: 0.3149636043855
Energy: 0.5927932892545592
Energy: 0.35720714113691243
Energy: 0.34852681047514555
Energy: 0.30418437173752383
Energy: 0.37589511869441256
Energy: 0.3038171286232393
Energy: 0.5140250735180072
Energy: 0.3152199132551825
Energy: 0.33016613870135836
Energy: 0.34703907841806236
Energy: 0.3118583254579854
Energy: 0.3648046032494713
Energy: 0.5376204583733459
Energy: 0.30202363571374635
Energy: 0.30245541001536325
Energy: 0.3579967127085432
Energy: 0.3034183454769284
Energy: 0.3306337037546144
Energy: 0.5400394925223856
Energy: 0.2948244897916246
Energy: 0.2949519781021939
Energy: 0.3045145167279713
Energy: 0.29553194901004814
Energy: 0.2953677852137299
Energy: 0.5441226769233451
Energy: 0.3595403926536357
Energy: 0.36078146289971164
Energy: 0.3117899679772421
Energy: 0.3586169213333086
Energy: 0.3631038896694457
Energy: 0.5526547265507673
Energy: 0.3236636860057406
Energy: 0.36164729013895536
Energy: 0.3008406735699156
Energy: 0.32450000144634944
Energy: 0.3033774407196262
Energy: 0.5042726530348479
Energy: 0.36200121793235607
Energy: 0.361507310118424
Energy: 0.3011982698423391
Energy: 0.3583873812910575
Energy: 0.3610353587406776
Energy: 0.5117559438946881
Energy: 0.3162053128088634
Energy: 0.3551214677773592
Energy: 0.3327335998099735
Energy: 0.3059891275546758
Energy: 0.35506625579063456
Energy: 0.5109989521038655
Energy: 0.3339674450476747
Energy: 0.3049121301949348
Energy: 0.3222543454264131
Energy: 0.359646906720534
Energy: 0.30480890951938155
Energy: 0.5406223819409066
Energy: 0.3571445014905545
Energy: 0.3593914515133992
Energy: 0.30268846171946706
Energy: 0.35446804790431446
Energy: 0.3567784675156659
Energy: 0.5393566147737604
Energy: 0.356314856391329
Energy: 0.3596974103320203
Energy: 0.3047180542495423
Energy: 0.40577887230898246
Energy: 0.3361831754556682
Energy: 0.5048195989974711
Energy: 0.35931357890600507
Energy: 0.36055622684384725
Energy: 0.35465226321758586
Energy: 0.35861610832170093
Energy: 0.3357974894058463
Energy: 0.5072344444431061
Energy: 0.39720556280878083
Energy: 0.3801437392994861
Energy: 0.408825265557776
Energy: 0.3621198630677071
Energy: 0.40587886087540365
Energy: 0.5047339167473991
Energy: 0.36043045742846475
Energy: 0.360139086886968
Energy: 0.3556956088825853
Energy: 0.35986599776445
Energy: 0.3590950987150399
Energy: 0.543196602167691
Energy: 0.35684425221775695
Energy: 0.3618047684532397
Energy: 0.30533283825502283
Energy: 0.3733639949303537
Energy: 0.3068303742316525
Energy: 0.5456336278864107
Energy: 0.35976427268619515
Energy: 0.36088247014595204
Energy: 0.3001191811306095
Energy: 0.35735371240324804
Energy: 0.35833891438284443
Energy: 0.5171836416136837
Energy: 0.35798797689939643
Energy: 0.30080483493940835
Energy: 0.3493405021285729
Energy: 0.35888886574483914
Energy: 0.30213036691809214
Energy: 0.5231023325511216
Energy: 0.29935692679151266
Energy: 0.3208753974902477
Energy: 0.34362539720326496
Energy: 0.3053811518835844
Energy: 0.3225932012301914
Energy: 0.5047700252382944
Energy: 0.36695865932701954
Energy: 0.36234738372842223
Energy: 0.29434443992288495
Energy: 0.33870935846223543
Energy: 0.36205123540146045
Energy: 0.5678614643177077
Energy: 0.30234705668157275
Energy: 0.33970639426552907
Energy: 0.30054121833200903
Energy: 0.30316495121250825
Energy: 0.30114304584910256
Energy: 0.5292449635841807
Energy: 0.32902924547398466
Energy: 0.3296424534288023
Energy: 0.316277372766569
Energy: 0.32990395138454026
Energy: 0.33520295651625726
Energy: 0.5559723577338773
Energy: 0.3036245058003856
Energy: 0.30397966387706743
Energy: 0.2930215425939548
Energy: 0.3032941727132761
Energy: 0.3046161760460076
Energy: 0.5660096642628792
Energy: 0.31386021622714744
Energy: 0.3331010297757089
Energy: 0.35851834435333463
Energy: 0.3060688104854362
Energy: 0.31746410144026965
Energy: 0.6620346969376567
Energy: 0.316112628719528
Energy: 0.3434723700676811
Energy: 0.3506289308262043
Energy: 0.3169285958119615
Energy: 0.3402837714523032
Energy: 0.6113002177458728
Energy: 0.38070971995707625
Energy: 0.36325225411039636
Energy: 0.31950518793737365
Energy: 0.3802581753671474
Energy: 0.31930475536349845
Energy: 0.5149985777184616
Energy: 0.3457276426161104
Energy: 0.33432087915114966
Energy: 0.32815509831871026
Energy: 0.3466919237309184
Energy: 0.32687430546109114
Energy: 0.6010926112181123
Energy: 0.3461228280188355
Energy: 0.34503227414594173
Energy: 0.3162450434456184
Energy: 0.3466445786905768
Energy: 0.4072466941418392
Energy: 0.6318999196223961
Energy: 0.35027187730276277
Energy: 0.35021781226200926
Energy: 0.31886712080720897
Energy: 0.4094835662394322
Energy: 0.36424649515136037
Energy: 0.7149020712141189
Energy: 0.33883691732785237
Energy: 0.35044151210919067
Energy: 0.35935935719119383
Energy: 0.36882367018071205
Energy: 0.3501113766152876
Energy: 0.5416044950889309
Energy: 0.3462792170081006
Energy: 0.3455832528856202
Energy: 0.3901853447233171
Energy: 0.3470769671123752
Energy: 0.40655220629198013

minimum gb energy = 0.2930215425939548 eV
minimum distance =  2.3740329266597 Angstroms
sigma value = 81


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

Energy: 0.016355769518624146
Energy: 0.042054057025967186
Energy: 0.01716687702556786
Energy: 0.01859637857853946
Energy: 0.021664152270162235
Energy: 0.017176223105211066
Energy: 0.041707795504950525
Energy: 0.017446419838769458
Energy: 0.01767739579088529
Energy: 0.04254583657611295
Energy: 0.020399592646938913
Energy: 0.017653109480422622
Energy: 0.04131954377140125
Energy: 0.017153173383817624
Energy: 0.01717570852398654
Energy: 0.04267120294976237
Energy: 0.016954099910665522
Energy: 0.041085115322385776
Energy: 0.01967872682986202
Energy: 0.01732153592459432
Energy: 0.01707128142537697
Energy: 0.02095291087908076
Energy: 0.017032492746732516
Energy: 0.04139260982894537
Energy: 0.041046575262496034
Energy: 0.04290193132048605
Energy: 0.043076583078545824
Energy: 0.041758828238181125
Energy: 0.04137814636922381
Energy: 0.044228466949707335
Energy: 0.01761270747355667
Energy: 0.017538214914827124
Energy: 0.017302538268657238
Energy: 0.01881966780311891
Energy: 0.017750339387962846
Energy: 0.01724877259532817
Energy: 0.043113499123145174
Energy: 0.017538154109448117
Energy: 0.017410706952107856
Energy: 0.04295199296561818
Energy: 0.02175973983433918
Energy: 0.017625945189437317
Energy: 0.04359405214260256
Energy: 0.0169466444787256
Energy: 0.017292321755045553
Energy: 0.04229236910792611
Energy: 0.016947900517050883
Energy: 0.04184154845242694
Energy: 0.018033688948307283
Energy: 0.017221802894208427
Energy: 0.04276577947819163
Energy: 0.019366824548611387
Energy: 0.0172408917103193
Energy: 0.04240767705397522
Energy: 0.017337757310309485
Energy: 0.04151252537730913
Energy: 0.04182468317854432
Energy: 0.017151998294008132
Energy: 0.041375426115570206
Energy: 0.043825510446240126

minimum gb energy = 0.016355769518624146 eV
minimum distance =  2.57247750639322 Angstroms
sigma value = 3


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

Energy: 0.4270960072216203
Energy: 0.4754836171179239
Energy: 0.42322806199940605
Energy: 0.3810891630402208
Energy: -0.7174026040778574
Energy: -0.5264631928202497
Energy: 0.553858870638765
Energy: -0.98484160356511
Energy: -0.9504707512643573
Energy: -0.8089541920600753
Energy: -0.767795505332808
Energy: -1.4033209566451719
Energy: 0.5739778065868848
Energy: -1.9415792462843748
Energy: -1.0845469993502947
Energy: -0.7178325708559585
Energy: -1.0797781022951471
Energy: 0.43239130395711217
Energy: 0.5818230435023106
Energy: -0.9328425239116244
Energy: -1.0846204282050742
Energy: -1.2868196387006476
Energy: 0.38813772750789743
Energy: 0.43174137077446434
Energy: 0.47528200736928017
Energy: -0.7578918887769514
Energy: -0.7743088723434033
Energy: 0.45353448476882663
Energy: -0.7250756891970003
Energy: -0.7744141373777078
Energy: 0.42374311036701656
Energy: -0.7821379119971923
Energy: -1.0400081585027607
Energy: 0.3945180665990748
Energy: -0.7804752387666887
Energy: -1.112316690672505
Energy: 0.5422173981581182
Energy: -1.063392169942997
Energy: -1.7606984721938037
Energy: -1.1034792321948572
Energy: -1.2050972527530355
Energy: -2.106507358951678
Energy: 0.5339190041244205
Energy: -0.707063258156783
Energy: -0.6122988359807486
Energy: -1.2603412589563423
Energy: -1.463785498681093
Energy: -0.9204287859993029
Energy: 0.4703919307330446
Energy: -0.9094212753785249
Energy: -0.7774752519084772
Energy: -0.7773300422829653
Energy: -0.7101680310679983
Energy: -0.7784304223831225
Energy: 0.46126243943254747
Energy: -1.1120878994977392
Energy: -1.2873562608140645
Energy: -0.7751295493298492
Energy: 0.5104033292548615
Energy: -1.0016884326911066
Energy: 0.4411005862983278
Energy: -0.7628635427773738
Energy: -0.7576177120013105
Energy: 0.4159718132437197
Energy: -0.7620571485815323
Energy: -1.0468272220934738
Energy: 0.48507641598041573
Energy: -0.687367793708033
Energy: -0.7650751431659869
Energy: 0.4843439347340244
Energy: -0.7191741075659739
Energy: 0.43362458067698534
Energy: 0.4780709427915671
Energy: -1.110657282638039
Energy: -0.7172582556470036
Energy: 0.47830453317787086
Energy: 0.41148369252865075
Energy: -1.1355460868221603
Energy: 0.45043580300138103
Energy: -0.7656835831872342
Energy: 0.4136360362453981
Energy: 0.417908265911579
Energy: -1.117401565319272
Energy: 0.42245178051409915
Energy: 0.4557567197228589
Energy: 0.42817941203407134
Energy: 0.42495061519831523
Energy: -0.7536651070864475
Energy: 0.42749664194645903
Energy: 0.42457871305964223
Energy: 0.4459821157022408
Energy: 0.4119355527116096
Energy: 0.41162086893401184
Energy: 0.4041206373557821
Energy: -0.7628859070408341
Energy: 0.4067014068917893
Energy: 0.42506196203744734
Energy: 0.41083590105242324
Energy: 0.4082030157271805
Energy: 0.4181375320804195
Energy: 0.4121432961737278
Energy: 0.4186467606951638
Energy: 0.4211137443612773
Energy: 0.42281784213216783
Energy: 0.40398606069848225
Energy: 0.41571404984977633
Energy: 0.4675412688115767
Energy: 0.4049854725846996
Energy: 0.44219946045465275
Energy: -0.7494452060794229
Energy: 0.406501393561962
Energy: 0.46747237626727733
Energy: -0.9187505296935243
Energy: 0.4046308524000397
Energy: 0.45181698480570354
Energy: 0.4213367136014547
Energy: 0.42356906456718124
Energy: -0.7634244218019657
Energy: 0.419749280487196
Energy: 0.4212149997734326
Energy: 0.45029543716998227
Energy: 0.405999979238834
Energy: 0.4110410581938666
Energy: -0.7622505967886722
Energy: -0.750258855263747
Energy: 0.41108992253629284
Energy: 0.44626125462188626
Energy: 0.4053856960129376
Energy: -0.8710279553574163
Energy: 0.4431596169710773
Energy: 0.4048607224736141
Energy: 0.4244462123205974
Energy: 0.44260092240509097
Energy: 0.41933579340635174
Energy: 0.420166862826014
Energy: 0.4402342470127635
Energy: 0.41556422649894553
Energy: 0.4157567516823931
Energy: 0.4440439768932499
Energy: 0.47854201548606984
Energy: 0.54032541279929
Energy: 0.47878719525956653
Energy: 0.47770597439218865
Energy: 0.3992884695939145
Energy: 0.4629569492609374
Energy: 0.4528082116188134
Energy: 0.4352229925421013
Energy: -0.7605185719365116
Energy: 0.45921198983433126
Energy: 0.4347882456181936
Energy: 0.4603742484994815
Energy: -0.737397363052656
Energy: -0.889842830298889
Energy: -0.7585728183535617
Energy: 0.3891238659785301
Energy: -0.6830589655924754
Energy: 0.5051032386263353
Energy: -0.9026770277282561
Energy: -0.9004745340397646
Energy: 0.5053981533306074
Energy: -0.742483660320141
Energy: -0.7124754476031558
Energy: 0.4621693996069253
Energy: -0.8048454969529086
Energy: -0.9210309753059981
Energy: 0.45331425360213234
Energy: -0.8038699729065225
Energy: -0.678834246995729
Energy: 0.4347933244590173
Energy: -1.1992922241263408
Energy: -0.9223448571669749
Energy: 0.41478067848504807
Energy: -1.28731837822373
Energy: -0.9058269770932105
Energy: 0.4971536031872549
Energy: -0.9940917545079212
Energy: -0.6785727076091552
Energy: -0.7329496458046467
Energy: -1.0723574632450485
Energy: -0.9279418803501078
Energy: 0.4652757890854328
Energy: -0.6748556190739208
Energy: -0.683476574559628
Energy: -0.7814231578933504
Energy: -1.039171079406237
Energy: -0.9447028288273233
Energy: 0.5830514855215962
Energy: -0.9188046331716653
Energy: -0.7400771304199288
Energy: -0.718781721187587
Energy: 0.41318583781073037
Energy: -0.7759123557658332
Energy: 0.4618786223349023
Energy: -0.7395263823017995
Energy: -0.7367029046030662
Energy: 0.4334459438795052
Energy: -0.7358445742956624
Energy: 0.4494516020914393

minimum gb energy = -2.106507358951678 eV
minimum distance =  2.37263189001186 Angstroms
sigma value = 67


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

Energy: 0.5744975291487354
Energy: 0.5555397920535703
Energy: -1.283300742425917
Energy: 0.532640927365119
Energy: -1.3498102127510236
Energy: -1.2869495476726025
Energy: 0.7248823629519869
Energy: 0.6410157042700629
Energy: 0.64294961907152
Energy: -1.310435190941332
Energy: 0.6429401039164161
Energy: -0.8181960403678398
Energy: 0.7604020371608762
Energy: -1.6427977201249577
Energy: -0.9439602218288676
Energy: -0.9711669391593353
Energy: -2.2651678275721308
Energy: -0.9324609062124773
Energy: 0.6453834307790479
Energy: -0.9473711489263665
Energy: -0.9342205128911543
Energy: -0.9659042477266038
Energy: -1.1832486807480753
Energy: -0.933435986861367
Energy: 0.7022720249504387
Energy: -0.9354529558204187
Energy: -0.9304954649484223
Energy: -1.4869743276304455
Energy: -0.7932629307357235
Energy: -0.9317759529820014
Energy: 0.5388847503457322
Energy: -0.9917620125710346
Energy: -1.5326145980471593
Energy: -1.4243066527967372
Energy: -0.9690927425938193
Energy: -1.0518896534574151
Energy: 0.6988440476522636
Energy: -0.8560516545266519
Energy: -0.8744914080037358
Energy: 0.60466382525923
Energy: -0.8874054317170683
Energy: -0.8523120438396967
Energy: 0.6947390988649853
Energy: -1.0728562704409979
Energy: -1.1521984914400674
Energy: -1.0473329846354287
Energy: -0.9978041692160388
Energy: -0.9779841436507944
Energy: 0.5676207423469828
Energy: -0.9591210782871527
Energy: -0.9702628039378167
Energy: -0.8391489717894167
Energy: -3.8090400058132303
Energy: -0.77005487172507
Energy: 0.5673718857858894
Energy: -0.9142958161647231
Energy: -0.8992337758188879
Energy: -0.974912354112727
Energy: 0.6630513331114437
Energy: -0.8977007600998741
Energy: 0.5535771773243235
Energy: -0.9906918495891849
Energy: -0.9982907049993033
Energy: -0.935794792154406
Energy: -0.8764493179687345
Energy: -0.9953249705830818
Energy: 0.6339045623825937
Energy: -0.941359948804525
Energy: -0.8789716929408631
Energy: -0.5569242627846318
Energy: -0.8551685721703377
Energy: -1.0290208729043702
Energy: 0.6519731560662447
Energy: -0.9511652908479952
Energy: -0.8864507032210928
Energy: 0.6527318219722088
Energy: -1.0026387925752047
Energy: -0.9872160751135566
Energy: 0.5534322532740658
Energy: -0.9902145157949753
Energy: -0.9160470423615081
Energy: -0.9979079062548771
Energy: -0.8796233327131803
Energy: -0.9993625376646973
Energy: 0.5650361428843558
Energy: -0.9984048322641953
Energy: -0.9948917058659961
Energy: -0.8673284261828689
Energy: 0.6057756330852456
Energy: -0.9914011717836034
Energy: 0.5639771133977308
Energy: -0.7030043775308485
Energy: -0.7169450214906746
Energy: -0.9618362915330958
Energy: -0.9487162097002396
Energy: -2.0498792236165184
Energy: 0.671604121148615
Energy: -0.8886904428452088
Energy: 0.5312210565632792
Energy: 0.6722568025005946
Energy: -0.8879371808548349
Energy: -0.9557109209160812
Energy: 0.6358268012154207
Energy: -0.8762822454389733
Energy: -1.6377719380634304
Energy: -3.3536010305347634
Energy: -0.8770692675872168
Energy: -2.3382544508309544
Energy: 0.5424647908078781
Energy: -0.9580687830589061
Energy: -1.0301175377394018
Energy: 0.5414293588439184
Energy: -0.8305690927337315
Energy: -1.0137516590412068
Energy: 0.6256161141083068
Energy: -1.8522683696379816
Energy: -1.8495581535238914
Energy: -3.0468013975017114
Energy: -1.04477080893504
Energy: -1.8338762521356444
Energy: 0.5636788683520894
Energy: -0.9795888879537578
Energy: -0.9689141501669073
Energy: -0.9483427594944344
Energy: -1.0743171148291948
Energy: -0.9674649744488393
Energy: 0.7593672835219768
Energy: -1.4517420977356137
Energy: -0.9736680199104814
Energy: -0.7609063834474249
Energy: -0.9261834009460571
Energy: -0.966262040654641
Energy: 0.72547179402649
Energy: 0.6410162211738268
Energy: -1.1683308720299181
Energy: -0.869139953678283
Energy: 0.6413715037071993
Energy: -0.9567854539468719

minimum gb energy = -3.8090400058132303 eV
minimum distance =  2.36214596190315 Angstroms
sigma value = 33


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

Energy: 0.690384916681859
Energy: 0.667705802760007
Energy: -1.0167279147567745
Energy: 0.6409878187277772
Energy: -0.05116086991290547
Energy: 0.6234836002797206
Energy: 0.8280013299180615
Energy: 0.7544365324030456
Energy: -0.07536542208380478
Energy: -0.12407318272946713
Energy: 0.7531628186294739
Energy: -0.08428900611622732
Energy: 0.8722133944431781
Energy: 0.6122907126157132
Energy: -2.169498142032429
Energy: -2.606279904179464
Energy: 0.6179292424343652
Energy: 0.6222364417541894
Energy: 0.7568015462281296
Energy: -2.168295949154127
Energy: -0.1457907805141775
Energy: 0.7471516225592046
Energy: 0.5971756767434581
Energy: 0.6313080966605805
Energy: 0.7513329075165166
Energy: 0.647756211094212
Energy: -0.08065098323819665
Energy: 0.6391899120049193
Energy: 0.6444244557523071
Energy: -0.08200093790722081
Energy: 0.6332652077769927
Energy: -2.6064321547196014
Energy: -2.571415888514283
Energy: 0.6119327284357827
Energy: -0.07878643819432357
Energy: 0.601132719209267
Energy: 0.8141593362247128
Energy: -0.07618763303294476
Energy: -0.0761919330719615
Energy: -0.08954545047966
Energy: -0.07959047612810612
Energy: -0.5300298644689746
Energy: 0.8107226994941296
Energy: -0.05532418410110341
Energy: 0.6269810344739327
Energy: 0.7199500159531718
Energy: -0.09945476695716803
Energy: 0.6190073381842442
Energy: 0.6653824228157893
Energy: -0.06930572801903338
Energy: -0.09906214534481943
Energy: 0.6247028582019418
Energy: 0.639294366007323
Energy: 0.6218042349589651
Energy: 0.6664602808800695
Energy: -0.06626845533268037
Energy: 0.6260466002634205
Energy: 0.6252221803977022
Energy: 0.7978324031990677
Energy: 0.6227456585123693
Energy: 0.6561034225303516
Energy: 0.6260257941411607
Energy: 0.6096134107797267
Energy: -0.0706253927632486
Energy: 0.6205862706223214
Energy: 0.61270304895536
Energy: 0.7475937135213867
Energy: -0.03935717103944457
Energy: 0.6151698814888151
Energy: 0.7072992405072824
Energy: 0.6167465206922965
Energy: -0.032500080759960796
Energy: 0.7543160286143503
Energy: -0.08995724040554369
Energy: 0.6206066376351674
Energy: 0.711324502943868
Energy: -0.09401397579726108
Energy: 0.620219811471174
Energy: 0.6432780831500361
Energy: 0.6189478896931413
Energy: 0.6227532467744874
Energy: 0.5977420688346528
Energy: 0.6170979618132606
Energy: 0.6132520762094259
Energy: 0.6638256551117303
Energy: 0.6275142008208794
Energy: -0.08893619055280227
Energy: 0.6258444693394186
Energy: -0.10173540811002114
Energy: -0.04496357154227493
Energy: 0.6647495370339085
Energy: 0.6310670722372376
Energy: 0.6336074833882563
Energy: 0.6412392254398109
Energy: -0.09473322529901243
Energy: -2.5724605509377243
Energy: 0.8717782851371246
Energy: 0.6354055749440306
Energy: 0.6354823444628463
Energy: -0.11237693700177935
Energy: 0.6440144228027355
Energy: 0.6271046692703932
Energy: 0.8791592898738372
Energy: 0.754572772665081
Energy: -0.19594489861544626
Energy: -0.08811260570856554
Energy: 0.7536405957273822
Energy: 0.6501606755420934
Energy: 0.6181231419178361
Energy: -2.9541459368267513
Energy: -1.10700855444687
Energy: 0.6130541510483104
Energy: -2.570645928812662
Energy: 0.5999817023578666
Energy: 0.8279553230666343
Energy: 0.7527798233147164
Energy: 0.7524496625241627
Energy: 0.6133578982222314
Energy: 0.7527486626854114
Energy: -0.08368176766686644
Energy: 0.8825664332734126
Energy: -2.1706373688494534
Energy: -0.14662511390839442
Energy: -1.0162809918013347
Energy: 0.6116271574661718
Energy: 0.63036649298321
Energy: 0.7501142076428159
Energy: 0.609218367102164
Energy: -2.170315030343825
Energy: -1.0143116987059821
Energy: 0.6129960609626861
Energy: 0.6225198142202593
Energy: 0.7555716973433751
Energy: -0.0787311692214692
Energy: -0.0807125035014991
Energy: 0.6407680329570156
Energy: 0.6452969356555652
Energy: -0.08394966303611787
Energy: 0.6322281405336145
Energy: -2.6075040524481845
Energy: -2.6077653527801012
Energy: 0.6118100584665634
Energy: -0.08382630907832704
Energy: 0.5997512008890675
Energy: 0.8099824306043412
Energy: -0.08014754501951779
Energy: -0.07823207199235879
Energy: -0.07217418979806303
Energy: 0.6429827287067457
Energy: -0.08484767597332969
Energy: 0.811371571354235
Energy: 0.6290721484264165
Energy: 0.6268097193042848
Energy: 0.716187033796278
Energy: -0.06486472193158029
Energy: 0.6232736471326027
Energy: 0.6638625608382616
Energy: -0.06509717384224831
Energy: 0.6218467182307712
Energy: 0.6229600559308212
Energy: -0.04797773170803793
Energy: 0.6205896311176369
Energy: 0.6665336716521728
Energy: -0.06861256493794017
Energy: 0.6253844347148807
Energy: 0.6253885107973477
Energy: 0.7351363650589965
Energy: 0.622889765176231
Energy: 0.6548521502482292
Energy: 0.6238661976149021
Energy: 0.6229984474364139
Energy: -0.06389550731835697
Energy: 0.6206204188424393
Energy: 0.6217961735672719
Energy: 0.7442704907849457
Energy: -0.12012831815303471
Energy: -0.08701394713489037
Energy: 0.624300629248434
Energy: 0.620473927220239
Energy: -2.2214119213885866
Energy: 0.7525043156550619
Energy: 0.6211591102610693
Energy: 0.6217521345053644
Energy: 0.7112538319124347
Energy: -0.09244135858466548
Energy: 0.6222167260332914
Energy: 0.6446424207342047
Energy: 0.6244612440556044
Energy: 0.6235047681735918
Energy: 0.6111582277723898
Energy: 0.622026082222452
Energy: 0.612798334827308
Energy: 0.6638972116082341
Energy: 0.6432937545793256
Energy: -0.08557766594768584
Energy: 0.6164848769833758
Energy: 0.7161983117051403
Energy: -0.0457742675497252
Energy: 0.7313092086010489
Energy: -0.1011018944445022
Energy: -0.13041046506122897
Energy: 0.6443373316520241
Energy: 0.6268235922866802
Energy: 0.6407335706131647
Energy: 0.8717878636637252
Energy: 0.6157324647195114
Energy: 0.6060304201019905
Energy: -1.0201678810355603
Energy: 0.5851967933831521
Energy: 0.6208398453013488
Energy: 0.8775951064123471
Energy: 0.7533257971414692
Energy: -0.19728785381662492
Energy: -0.08094223795297947
Energy: 0.7542466163800606
Energy: -2.949737524634339
Energy: 0.6191377086861214
Energy: -2.954322428608924
Energy: -1.1101241486591371
Energy: 0.6365341591457616
Energy: -0.08697523610907099
Energy: 0.613152072782002

minimum gb energy = -2.954322428608924 eV
minimum distance =  2.39706056397572 Angstroms
sigma value = 41


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

Energy: 0.8598695115349357
Energy: 0.8631242429509919
Energy: 0.8622667341400746
Energy: 0.8108051066983223
Energy: 0.8635368043258717
Energy: 0.8621640633532355
Energy: 0.9297625147146523
Energy: 0.9356052907655572
Energy: -0.03312780402734172
Energy: -0.03136232376770243
Energy: 0.9433190022039085
Energy: -0.03178637145732512
Energy: 0.9856809577079721
Energy: 0.8224972722240936
Energy: 0.8202553852358859
Energy: -0.005253564971736895
Energy: 0.7976980009360906
Energy: 0.8180239176505492
Energy: 0.9873372230497194
Energy: 0.8229619318100563
Energy: 0.8214441525020838
Energy: 0.9471572495958767
Energy: 0.8151095980873633
Energy: -0.02928201399801532
Energy: 0.8530163435921553
Energy: 0.8339523411194408
Energy: 0.833140897932684
Energy: 0.8683863773366832
Energy: 0.8366621087661843
Energy: 0.8345638948283503
Energy: 0.8333876069884864
Energy: 0.8338171309189686
Energy: 0.8330121501639186
Energy: 0.7994150375713401
Energy: 0.8361805350109927
Energy: 0.8331800156612108
Energy: 1.0097868277023085
Energy: 0.8471792824894908
Energy: 0.844199307080231
Energy: 0.8574161796554696
Energy: 0.8446182208251118
Energy: 0.8456998124848157
Energy: 1.027729176025069
Energy: 0.8151338836036552
Energy: 0.813705981716116
Energy: 0.9286263748470849
Energy: 0.8170994779859307
Energy: 0.8184990463460079
Energy: 0.8431180917479175
Energy: 0.8142574632258602
Energy: 0.8135911408878863
Energy: 0.8105073480497247
Energy: 0.8339598308730409
Energy: 0.8135126207011439
Energy: 0.8527228132686072
Energy: 0.8163352381767602
Energy: 0.8141257190810854
Energy: 0.8350294656132029
Energy: 0.8202830536935677
Energy: 0.8136583830246255
Energy: 0.8494283245942582
Energy: 0.8438003734385124
Energy: 0.8367806419181071
Energy: 0.8374175118443248
Energy: 0.8464612535636498
Energy: 0.8355667223570084
Energy: 0.8500343094469662
Energy: 0.8045141618609345
Energy: 0.802718980543393
Energy: 0.8352673328800247
Energy: 0.8070492208157238
Energy: 0.8121078056208741
Energy: 1.0706050068048487
Energy: -0.01165852248188266
Energy: -0.014406378060067823
Energy: 0.8375702944512279
Energy: 0.9480406263022457
Energy: 0.8449788725805765
Energy: 0.8186029167383961
Energy: 0.9425734256916103
Energy: 0.8423684990202316
Energy: 0.7904284838486699
Energy: 0.9435475961444195
Energy: 0.8433863499868663

minimum gb energy = -0.03312780402734172 eV
minimum distance =  2.36221255980018 Angstroms
sigma value = 11


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

Energy: 1.2931821457947785
Energy: 1.0311924822273137
Energy: 1.070626940711858
Energy: 1.0225470023210568
Energy: -0.7823656919334472
Energy: 1.039876284093084
Energy: 1.1873234751622352
Energy: 0.9354831518138794
Energy: 0.9089191065106922
Energy: 0.852386520784102
Energy: 0.9393729156990223
Energy: -0.5487591614070992
Energy: 1.1515662939026134
Energy: 0.9767930063739182
Energy: 0.9741159987512327
Energy: 1.019036145090858
Energy: 0.9786972461759749
Energy: 0.9706896608883605
Energy: 1.0175359169352423
Energy: 0.9764983241278923
Energy: 0.9427384690000715
Energy: 0.9042470102414123
Energy: -0.06483885148361333
Energy: -0.047829349578066845
Energy: 1.0213520039953112
Energy: 0.9910244983964179
Energy: 0.9905309143958856
Energy: -0.5381625603545883
Energy: 0.8963363583884582
Energy: 0.990226861832551
Energy: 1.0177629107261617
Energy: 0.24646206674065094
Energy: -0.9506270689113097
Energy: 0.9930838659529377
Energy: 0.7467569261471608
Energy: -0.7389634586978835
Energy: 1.0793640646159266
Energy: 0.9679611294776765
Energy: 0.6991460303134045
Energy: 0.9596592335015555
Energy: 0.9623177652239151
Energy: 0.3138999950796771
Energy: 1.1572837838928318
Energy: -0.31738848709038575
Energy: 0.9906384175072416
Energy: 0.8882546344868446
Energy: 0.7476822460386712
Energy: 0.9907314505682052
Energy: 1.0025290120593267
Energy: -0.6595191598317324
Energy: 0.4479217800867189
Energy: 0.33118306302913286
Energy: -1.1406665274599888
Energy: 0.8847126707826809
Energy: 1.0026695657748539
Energy: -0.8068617425924742
Energy: 0.8899930175680681
Energy: -0.13611730918163947
Energy: -0.6110301253754292
Energy: 0.8863243980057269
Energy: 1.0806349107123165
Energy: 0.9546487270460817
Energy: -0.6562166638048514
Energy: 0.9955301779007861
Energy: 0.8147857043302592
Energy: -0.4467117282626184
Energy: 1.0350925630481194
Energy: 0.9325032181271259
Energy: 0.9841861367951997
Energy: 0.8829696182525087
Energy: 0.9619595833022675
Energy: 1.0372988242081815
Energy: 1.041447304516242
Energy: -0.05491681872908279
Energy: -0.12082032304221368
Energy: 0.9332344836874421
Energy: 0.8829599858824589
Energy: -0.7512427983952005
Energy: 1.0085837038441583
Energy: -0.26824204498899096
Energy: 0.32335739287464116
Energy: 0.9849985294585242
Energy: 1.0134730630379682
Energy: 0.9809639735225565
Energy: 1.0444541536093643
Energy: 0.1804773263321644
Energy: 0.9837146348999576
Energy: 0.9912771946273905
Energy: 0.11196513520401234
Energy: 0.9826397770575528
Energy: 1.1268878050219258
Energy: 0.989545644002068
Energy: 0.9888359611382976
Energy: 0.9728807405098769
Energy: 0.068321402064934
Energy: 0.9893512889060757
Energy: 1.0942716881308168
Energy: 0.985954210557745
Energy: 0.9858643592182517
Energy: -1.3074069281724383
Energy: 0.987354196065831
Energy: 0.5510415064122538
Energy: 1.0735791314470693
Energy: 0.9943711198786027
Energy: 0.987284743578285
Energy: 0.9687732636781508
Energy: -0.19802315384449617
Energy: 0.9655647340254643
Energy: 1.0427248503165598
Energy: 0.9873613664389789
Energy: 0.9864450504386523
Energy: 0.8565449603744497
Energy: 0.9145887330467597
Energy: 0.9815277708399914
Energy: 1.0272821414935194
Energy: 0.9655511176210617
Energy: 0.5756529624316372
Energy: 0.9791996253879462
Energy: 0.9757102836839152
Energy: 0.9490887903901165
Energy: 1.1576382291199334
Energy: 0.9737819422854112
Energy: 0.8747430848218707
Energy: 0.8051566657153216
Energy: -0.23476883837494447
Energy: 0.9444265047054533
Energy: 1.0560711329986376
Energy: 0.9006619416944894
Energy: 0.9008541262989677
Energy: -0.08934475197890207
Energy: 0.8938309533709402
Energy: 0.9005795077928493
Energy: 1.0063618482794252
Energy: 0.9490565248590163
Energy: -1.1778366212539682
Energy: 0.972536517965803
Energy: 0.9766370755778676
Energy: -1.4446686974195724
Energy: 1.2080204999362258
Energy: -0.37754401627730044
Energy: 0.9105389104832028
Energy: -0.8670309276761446
Energy: 0.753876373314027
Energy: 0.9865420532529526
Energy: 1.0578047154570056
Energy: 0.9752518684883497
Energy: 0.971742183988002
Energy: 0.9354960624964255
Energy: 0.992018912638515
Energy: 0.9776215378016029
Energy: 1.0178544453090883
Energy: 0.17978346617314747
Energy: 0.649378713687894
Energy: 0.9883492484083759
Energy: -0.0902639184207963
Energy: 0.9852293395225978
Energy: 1.0180568714737792
Energy: 0.996006562131007
Energy: 0.9898447769271607
Energy: 0.2789967276897161
Energy: 0.9803594658720525
Energy: 0.9887666683102119
Energy: 1.0164269562088664
Energy: 0.3188108096194874
Energy: 0.9835560162196744
Energy: 0.40707866197300036
Energy: 0.9958378163213532
Energy: 0.9821841296924964
Energy: 1.0395457033758293
Energy: 0.9812050317731172
Energy: 0.9851416020151254
Energy: -0.6057667174737316
Energy: 0.9804049163889721
Energy: 0.9839914768636574
Energy: 1.276720486724623
Energy: -0.4148767835491602
Energy: -1.4207975873240917
Energy: 0.8774896674796104
Energy: -0.9190171126206799
Energy: 0.9423444158401653
Energy: 1.005956140849645
Energy: 0.9116146531791719
Energy: 0.9879495276224813
Energy: 0.9659089030879636
Energy: -0.883419866465514
Energy: 0.9452470567965505

minimum gb energy = -1.4446686974195724 eV
minimum distance =  2.33122930726642 Angstroms
sigma value = 57


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

Energy: 1.6261066738161998
Energy: 1.103914471997269
Energy: 1.2532969633345143
Energy: 1.2629176568835963
Energy: 1.0902293760458792
Energy: 1.2553103803993535
Energy: 1.1301333352024865
Energy: 1.0918560963344905
Energy: 1.0927741850708794
Energy: 1.0918931627415918
Energy: 1.0918642207037852
Energy: 1.0950633830104017
Energy: 1.2837611405311247
Energy: 1.0525115869800687
Energy: 1.0529572773475682
Energy: 1.0910968618096073
Energy: 1.0536300507970884
Energy: 1.0935738520258835
Energy: 1.1230133706075234
Energy: 1.0680368234994375
Energy: 1.0689247219644553
Energy: 1.0911078809813888
Energy: 1.0574608553747502
Energy: 1.0945276539316116
Energy: 1.1221233395205261
Energy: 1.1232079581966705
Energy: 1.0695921180374555
Energy: 1.0906050022800193
Energy: 1.1217967295759979
Energy: 1.067334941644917
Energy: 1.1290952980402358
Energy: 1.0928194280297097
Energy: 1.0938680333218955
Energy: 1.0709844363749106
Energy: 1.0926877752957336
Energy: 1.0667972630847793
Energy: 1.1250007024300799
Energy: 1.0557861606754881
Energy: 1.0553422007443265
Energy: 1.0926592918176241
Energy: 1.0560829073925722
Energy: 1.06764897132049
Energy: 1.2297544312723103
Energy: 1.07076258973131
Energy: 1.0679162155548867
Energy: 1.091718200513496
Energy: 1.0932158953050874
Energy: 1.0682919792853525
Energy: 1.1245006182860648
Energy: 1.112890987808959
Energy: 1.0549425364338842
Energy: 1.0622424762958047
Energy: 1.1133783094531553
Energy: 1.055349511582506
Energy: 1.125050960114265
Energy: 1.112328541463365
Energy: 1.05471046219972
Energy: 1.06243280721956
Energy: 1.1120564935127308
Energy: 1.055459079445363
Energy: 1.2748170416218645
Energy: 1.070520996987034
Energy: 1.0690207044351638
Energy: 1.0937047680192606
Energy: 1.0917916167481068
Energy: 1.103412031151869
Energy: 1.2043707694279235
Energy: 1.0516124477248827
Energy: 1.0505208597841276
Energy: 1.0909542358293656
Energy: 1.05281223935673
Energy: 1.0918272831857252
Energy: 1.1201535569235446
Energy: 1.0920337260098731
Energy: 1.093328953666406
Energy: 1.0912706371137832
Energy: 1.0915558268981997
Energy: 1.067046740008706
Energy: 1.1229254719207438
Energy: 1.1162258741698674
Energy: 1.0709909118475318
Energy: 1.0702891076518792
Energy: 1.11635926698449
Energy: 1.066504601431236
Energy: 1.1193900188792734
Energy: 1.0570365384887885
Energy: 1.0659869183144293
Energy: 1.0915908584745242
Energy: 1.0593786650606978
Energy: 1.0651830964164228
Energy: 1.2276058501974474
Energy: 1.057172347163349
Energy: 1.0561528611371613
Energy: 1.0710323971438802
Energy: 1.0603895764543536
Energy: 1.0675946001352192
Energy: 1.130533045681199
Energy: 1.0912436957253502
Energy: 1.092536556534033
Energy: 1.102763777125098
Energy: 1.0925112711792548
Energy: 1.094477581607355

minimum gb energy = 1.0505208597841276 eV
minimum distance =  2.35109842229208 Angstroms
sigma value = 9


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

Energy: 1.3303525834770933
Energy: 1.047594159235847
Energy: 1.1455505741686511
Energy: 1.1993594960987406
Energy: 1.0491387962316887
Energy: 1.196504306582218
Energy: 1.2992170289078957
Energy: 1.0128870887884187
Energy: 1.0103946073634873
Energy: 0.9683404679728104
Energy: 1.0368352444735245
Energy: 0.9845854489837269
Energy: 1.2732891387552814
Energy: 1.0486523534214458
Energy: 1.077913488011252
Energy: 1.0080410191165223
Energy: 1.0501055229439367
Energy: 1.0416749667268084
Energy: 1.1160612948888933
Energy: 1.0430224227558076
Energy: 0.9443884590499437
Energy: 0.964209600340149
Energy: 1.0426342774136041
Energy: 0.9988621335286292
Energy: 1.144419712366014
Energy: 1.0232478778248386
Energy: 0.9602182942687271
Energy: 0.9558649143722967
Energy: 1.046656054991226
Energy: 0.9620144319320023
Energy: 1.1138972553817903
Energy: 0.97531833463879
Energy: 1.0313605541104613
Energy: 0.9759510089453058
Energy: 0.9749259179060978
Energy: 1.0121494506784892
Energy: 1.1926269181861713
Energy: 1.1128759784508906
Energy: 1.05711579374404
Energy: 0.9460834474370249
Energy: 1.109187185825835
Energy: 1.0568766923397674
Energy: 1.2632701704307105
Energy: 0.9828686978270224
Energy: 1.0054009463151303
Energy: 0.9899197774867969
Energy: 0.9833031818721069
Energy: 0.9949492409829491
Energy: 1.2512704278175586
Energy: 1.0149464126045722
Energy: 1.0084868371776126
Energy: 1.0574464560562096
Energy: 1.015686966357792
Energy: 0.9911717547148015
Energy: 1.228710142769229
Energy: 0.9450790623725277
Energy: 0.96748162155729
Energy: 1.0494135480202815
Energy: 0.8779323951819016
Energy: 0.9684729924473137
Energy: 1.2602623511207927
Energy: 1.012799596275755
Energy: 0.9963206414194288
Energy: 0.9665105676615415
Energy: 0.9628938262387977
Energy: 0.966885581634139
Energy: 1.2244722863543074
Energy: 1.0109368023416554
Energy: 0.9992588508241027
Energy: 1.0525518959771922
Energy: 0.9760871873692112
Energy: 0.9729137452095753
Energy: 1.2898140112033658
Energy: 0.9926336451216147
Energy: 1.0206865470894537
Energy: 1.092916702469028
Energy: 0.9620888099802788
Energy: 0.9706770699664741
Energy: 1.2685166609433909
Energy: 0.9205134990964924
Energy: 0.9196267234231675
Energy: 1.1210878100278006
Energy: 1.0253082505291193
Energy: 0.9874343514718337
Energy: 1.220115262325497
Energy: 1.0156056575358776
Energy: 0.9778607960622971
Energy: 1.0066327140260374
Energy: 1.0114600479926084
Energy: 1.0442136039559202
Energy: 1.1861804763371353
Energy: 1.0663930585001535
Energy: 1.030565086347964
Energy: 1.044760576141685
Energy: 1.0768944867263874
Energy: 0.9490774175971695
Energy: 1.2054517238564724
Energy: 0.9857163596297047
Energy: -1.3657135347758702
Energy: 0.9976442494563846
Energy: 0.9879789394313807
Energy: 0.9017439226438495
Energy: 1.2370037857625005
Energy: 1.049160300575609
Energy: 1.0900366011288276
Energy: 1.0530474652651185
Energy: 1.0514429423940932
Energy: 1.073804591928145
Energy: 1.2122850443046849
Energy: 1.0450765823134733
Energy: 1.0446542358605446
Energy: 1.0564560163346068
Energy: 0.9841424990825296
Energy: 1.042358184175183
Energy: 1.2777700762281536
Energy: 1.0327154554289821
Energy: 0.9340891776300126
Energy: 0.9891417625338007
Energy: 1.0359565618085236
Energy: 0.9621491322911218
Energy: 1.2269923320042269
Energy: 1.0614601328331037
Energy: 1.0324995330429592
Energy: 0.9974904105452458
Energy: 1.028216870941906
Energy: 1.0338617830421555

minimum gb energy = -1.3657135347758702 eV
minimum distance =  2.34261457477403 Angstroms
sigma value = 27


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

Energy: 1.6364432034051202
Energy: 1.036648304833105
Energy: 1.044371539687972
Energy: 1.099928680805372
Energy: 0.9450206853615088
Energy: 1.0232415652175564
Energy: 1.245115300817267
Energy: 1.1245709686071224
Energy: 1.046133239742006
Energy: 0.9953914745542163
Energy: 1.1249713894278262
Energy: 0.995682672771569
Energy: 1.3116019952449547
Energy: 1.0843573182263664
Energy: 1.0867256420719387
Energy: 0.9788773689371718
Energy: 1.151693827213681
Energy: 1.0739396652017932
Energy: 1.264994461073406
Energy: 1.0625311042882166
Energy: 1.0066696493181087
Energy: 1.029594774872279
Energy: 1.0724838436291821
Energy: 1.0057708366663674
Energy: 1.201605975021771
Energy: 1.0148540907931658
Energy: 1.0125011712089824
Energy: 1.1062680891330787
Energy: 1.0179230723733006
Energy: 1.0263712820565891
Energy: 1.221992273909655
Energy: 0.9791361822271393
Energy: 0.9809560254868749
Energy: 0.9879600759935336
Energy: 0.9804053819291935
Energy: 0.9809891430166872
Energy: 1.2246320862320392
Energy: 1.0392921464936222
Energy: 1.0677733037249915
Energy: 1.0160176060047423
Energy: 1.0678017202819245
Energy: 1.0092647253887488
Energy: 1.227496500822179
Energy: 1.0703145561845497
Energy: 0.9823549189868022
Energy: 0.9876866693147808
Energy: 1.085584137456525
Energy: 0.9832618849545476
Energy: 1.0398374297445447
Energy: 1.0222494310844847
Energy: 0.9837807171421507
Energy: 1.021637633572851
Energy: 1.0346686541281054
Energy: 1.049903057235845
Energy: 1.0210688316999947
Energy: 1.009876097744216
Energy: 1.011197827887723
Energy: 1.0068081680714258
Energy: 1.009265508428401
Energy: 1.0315572128074932
Energy: 1.3172884786215153
Energy: 0.9979624117671181
Energy: 1.0375726079289889
Energy: 1.051715232891852
Energy: 1.1070695723052628
Energy: 1.0405871405825362
Energy: 1.1755744525089855
Energy: 1.0706838532005474
Energy: 1.0723672115095289
Energy: 1.0353339706323916
Energy: 1.0414591005964693
Energy: 1.0336356276229328
Energy: 1.1749141827714966
Energy: 1.0337364794910946
Energy: 1.0674471094226843
Energy: 1.0641182677229923
Energy: 1.0021628619659386
Energy: 1.0669368303592106
Energy: 1.168729709437177
Energy: 1.0268757052789883
Energy: 1.0752803706668657
Energy: 1.0641055298828919
Energy: 1.0354639160456154
Energy: 1.073282900671196
Energy: 1.1541369518954718
Energy: 1.0183269334318432
Energy: 0.9696245350747812
Energy: 1.0125602485122478
Energy: 1.019454140483686
Energy: 0.9891959129626188
Energy: 1.1625436730150003
Energy: 0.9834695128551005
Energy: 0.9797583980740564
Energy: 1.0323539814509548
Energy: 1.0029536583738656
Energy: 0.9897462114448976
Energy: 1.2016387028636693
Energy: 1.0143921906870608
Energy: 0.979839441225152
Energy: 1.0548222387816493
Energy: 1.000985746876992
Energy: 1.00493261316366
Energy: 1.2737928299969943
Energy: 0.9850901142771153
Energy: 0.9812720013762751
Energy: 1.0342858545874547
Energy: 0.979156343358807
Energy: 1.0052672063315082
Energy: 1.2316884573745561
Energy: 1.081905983317819
Energy: 1.0836498681836955
Energy: 1.0422641195942044
Energy: 1.0842813566617548
Energy: 1.084426312340819
Energy: 1.0142130428204297
Energy: 1.083217866677985
Energy: 1.084144996571289
Energy: 1.0306614507410379
Energy: 1.0847489245445665
Energy: 1.0411538472458426
Energy: 1.3073311261235483
Energy: 0.9795182984298807
Energy: 0.9811046840399094
Energy: 0.999045302582443
Energy: 0.9808620111451266
Energy: 0.9812855693086381
Energy: 1.2451985349511359
Energy: 1.0299095856204654
Energy: 0.9688506762870771
Energy: 1.1502408603691856
Energy: 1.0692342438245768
Energy: 1.021766245548968
Energy: 1.2748895228483386
Energy: 1.0225355309004946
Energy: 1.023140910676177
Energy: 1.0242161090259783
Energy: 1.0224821078513837
Energy: 1.018803706211389
Energy: 1.3080591098401586
Energy: 1.021914486097638
Energy: 1.00161519596202
Energy: 1.1236590269781062
Energy: 1.0218003883735625
Energy: 0.959002705063933
Energy: 1.2452062354274007
Energy: 1.0108500755796763
Energy: 1.0088810494923384
Energy: 1.0804488561946652
Energy: 1.0115210111524402
Energy: 1.0935744202653659

minimum gb energy = 0.9450206853615088 eV
minimum distance =  2.31031342585468 Angstroms
sigma value = 19


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

Energy: 1.3305543345384983
Energy: 0.8156478449395983
Energy: 0.9327422732545689
Energy: 1.041240484153534
Energy: 0.9430761256152684
Energy: 1.1208348334800353
Energy: 1.2661594079695822
Energy: 0.9131121435914614
Energy: 0.9719068938658383
Energy: 0.9739705195341494
Energy: 0.9470614351375687
Energy: 0.9715081932297747
Energy: 1.1900031323721605
Energy: 0.9569441748045688
Energy: 0.9658015348237377
Energy: 1.0026553760399717
Energy: 0.9501152954850046
Energy: 0.9651111423620256
Energy: 1.1227560345192091
Energy: 1.0075989589488241
Energy: 0.9707817412191244
Energy: 0.9706579751750074
Energy: 1.002691146899569
Energy: 0.9712495444549751
Energy: 1.20487229139408
Energy: 0.8899497267999146
Energy: 0.9094492554052319
Energy: 0.8958769476967278
Energy: 0.9240524428153777
Energy: 0.9121747380639474
Energy: 1.1484496547743508
Energy: 1.024947318406644
Energy: 1.0226149493224144
Energy: 1.0101733001723636
Energy: 1.026498637183436
Energy: 1.0168074371733538
Energy: 1.1865880511577704
Energy: 0.9516816156883495
Energy: 0.9561390687471777
Energy: 0.910363208883863
Energy: 0.9176312263917346
Energy: 0.9670532923287695
Energy: 1.1363899258310766
Energy: 0.997291687947722
Energy: 0.9755587169962504
Energy: 0.8419139980453078
Energy: 0.9978914651052792
Energy: 0.9406992829665314
Energy: 1.162672060187747
Energy: 0.9241045163215496
Energy: 0.919604873639819
Energy: 0.941973794338414
Energy: 0.8695925566230149
Energy: 0.9640482214977253
Energy: 1.1435133411395264
Energy: 0.9372141174332306
Energy: 0.9379187078672359
Energy: 0.9919703202592678
Energy: 0.9368151065224943
Energy: 0.9315913727858947
Energy: 1.1693101971651925
Energy: 1.0087399657134595
Energy: 0.9459360323586785
Energy: 0.9217800123110238
Energy: 0.9496591763847095
Energy: 0.9782632499936982
Energy: 1.2096038039051937
Energy: 1.0067498037489166
Energy: 1.0082733231932415
Energy: 1.0134908176285933
Energy: 1.00683000859583
Energy: 0.9613701900191124
Energy: 1.2387137488916617
Energy: 0.9314232273192005
Energy: 0.9635689094409591
Energy: 0.9911536546265276
Energy: 0.9318361288585878
Energy: 0.962672695483121
Energy: 1.2263291002185182
Energy: 0.8664819297309932
Energy: 0.9513651740581395
Energy: 1.0024671574626574
Energy: 0.8773044722477579
Energy: 0.9999133328985896
Energy: 1.198635804294681
Energy: 0.9215431334957345
Energy: 0.9587550195674639
Energy: 0.9261606717705155
Energy: 0.8946040149638775
Energy: 0.9674443795244486
Energy: 1.183921193022631
Energy: 1.0145862090674476
Energy: 0.9669624157491314
Energy: 0.9591978646661325
Energy: 1.0160848985874498
Energy: 0.9662216882648965
Energy: 1.2178941531473226
Energy: 0.855520990248165
Energy: 0.896163531238906
Energy: 0.997682583789758
Energy: 0.8741367495937676
Energy: 0.9999781446243174
Energy: 1.1992593979454398
Energy: 0.7983550936930685
Energy: 0.9558646524799533
Energy: 1.00352438240909
Energy: 0.987953662346686
Energy: 0.9732265128671675
Energy: 1.1856499550578785
Energy: 1.0098830086892137
Energy: 0.9234352327567024
Energy: 0.9876942839335299
Energy: 1.0086739401030997
Energy: 0.9059749629496239
Energy: 1.1316912767399314
Energy: 1.0098408145261741
Energy: 0.9461662538860085
Energy: 0.8817009135335231
Energy: 1.008579771070264
Energy: 0.8853054589583248
Energy: 1.1538855763441165
Energy: 0.9598380996632797
Energy: 0.973719198201505
Energy: 0.9744821740130437
Energy: 0.9229947296124319
Energy: 0.9860345380360367
Energy: 1.1253794548414042
Energy: 0.9844942928807379
Energy: 1.0139978296106194
Energy: 1.010144951132505
Energy: 0.8899882215735304
Energy: 1.020966288622827
Energy: 1.1260213125140597
Energy: 0.8972744046292942
Energy: 0.9260009835726922
Energy: 0.9300934158452496
Energy: 1.0065072353427567
Energy: 0.8714156264562913
Energy: 1.1595810678227132
Energy: 1.0076214547511007
Energy: 0.9998121683621364
Energy: 0.9228737241319862
Energy: 1.0064597300657034
Energy: 0.8641067453299968
Energy: 1.178310816217535
Energy: 0.8712776768324036
Energy: 0.9043890038579997
Energy: 1.0012501101044347
Energy: 0.9566330393185942
Energy: 0.9439489008528147
Energy: 1.1992280829467181
Energy: 0.9044315371171717
Energy: 0.9037648442484384
Energy: 0.9628992492368972
Energy: 0.922752093047326
Energy: 0.9502490930609386
Energy: 1.1605582692237717
Energy: 0.9741148285877711
Energy: 0.9317411039014022
Energy: 0.9380616902840062
Energy: 0.9951408722718723
Energy: 0.9318556528510029
Energy: 1.1897323758662797
Energy: 1.0041743361086761
Energy: 0.9822462590644038
Energy: 1.002508874104949
Energy: 0.9984542442181132
Energy: 0.982164870500234
Energy: 1.2308335377095465
Energy: 0.8717190053936309
Energy: 0.8638998970999101
Energy: 1.0057527687861303
Energy: 0.8782650095780967
Energy: 0.8694849725008958

minimum gb energy = 0.7983550936930685 eV
minimum distance =  2.34690020590031 Angstroms
sigma value = 101


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

Energy: 1.694846023921879
Energy: 0.7392673139163982
Energy: 0.8632423202166216
Energy: 0.953374700532169
Energy: 0.8269222865128145
Energy: 0.9444512623576997
Energy: 1.1430705050064218
Energy: 0.9613773370479378
Energy: 0.9607025914731253
Energy: 0.9618469967763921
Energy: 0.8605144020920709
Energy: 0.9606623209861858
Energy: 1.13776086134989
Energy: 0.9494100541608502
Energy: 0.9473026779255108
Energy: 0.9604634578905269
Energy: 0.9534255291613453
Energy: 0.9461876943463575
Energy: 1.1212574731143956
Energy: 0.9607730957662604
Energy: 0.9602578335553494
Energy: 0.9615750626944768
Energy: 0.9611866905845526
Energy: 0.9598316660814501
Energy: 1.1480952916599472
Energy: 0.9641073797748736
Energy: 0.8447280616654246
Energy: 1.0116199663516108
Energy: 0.9647725578992428
Energy: 1.0147792235770394
Energy: 1.1250952913132957
Energy: 0.9759501836717238
Energy: 0.9674852230606443
Energy: 0.9603734053390808
Energy: 0.9758790031668882
Energy: 0.9670168112853298
Energy: 1.1169402762504215
Energy: 0.964466339103411
Energy: 0.9627785734469925
Energy: 0.8587372703437306
Energy: 0.9671178817758913
Energy: 0.9655287500657624
Energy: 1.0978567154098802
Energy: 0.9598306305967225
Energy: 0.9598489490200408
Energy: 0.8647529860637962
Energy: 0.961552469273914
Energy: 0.9612013910132169
Energy: 1.1103421683533958
Energy: 0.9574289432728832
Energy: 0.853988223563951
Energy: 0.8783771385376833
Energy: 0.9804323786954132
Energy: 0.8554135150566953
Energy: 1.0954247321886963
Energy: 0.9517597730951151
Energy: 0.9528872714539636
Energy: 0.9616525175960277
Energy: 0.9537663422957036
Energy: 0.9676609439340002
Energy: 1.1911069509241707
Energy: 0.9379213030958696
Energy: 0.9378190556478949
Energy: 0.8557003099965531
Energy: 0.9417556005721213
Energy: 0.9351779978177243
Energy: 1.126686461838955
Energy: 0.9604294560855192
Energy: 0.9603877034744691
Energy: 0.8735943550241079
Energy: 0.9605425343416432
Energy: 0.9605780935274199
Energy: 1.1591365853360542
Energy: 0.8528384022400314
Energy: 0.8537989055236276
Energy: 0.9481887075109275
Energy: 0.8741315769313959
Energy: 0.8547671465291637
Energy: 1.1160002608030382
Energy: 0.8669808599858132
Energy: 0.9605529518444844
Energy: 0.9619055176912821
Energy: 0.869770892452623
Energy: 0.959934802237376
Energy: 1.1242422120449644
Energy: 0.8668721632328024
Energy: 0.8619085538512831
Energy: 0.87894327329172
Energy: 0.8824665327758392
Energy: 0.9625783627144748
Energy: 1.1395766962843152
Energy: 0.9528355535601536
Energy: 0.9539083628683518
Energy: 1.0026046370838169
Energy: 0.952909074687297
Energy: 0.9601094030933496
Energy: 1.1360448759817043
Energy: 0.8858780813865207
Energy: 0.8655286249472528
Energy: 0.928008507112857
Energy: 0.863231437822305
Energy: 0.9337461891637234
Energy: 1.1910245099995969
Energy: 0.8582059257331336
Energy: 0.960575205418076
Energy: 0.9528965367122451
Energy: 0.7558020735777101
Energy: 0.9511309525233019
Energy: 1.1395043569931262
Energy: 0.9600494960495654
Energy: 0.9597164029379409
Energy: 0.9982417385473144
Energy: 0.9606929867578504
Energy: 0.9475211895768251
Energy: 1.102368182777462
Energy: 0.9602211961351581
Energy: 0.9601600762645381
Energy: 0.9480537770303115
Energy: 0.9610529415076398
Energy: 0.9609791053103046
Energy: 1.1284121665485478
Energy: 0.9471354346640845
Energy: 0.9466370448159724
Energy: 1.004826223137569
Energy: 0.9484048604459696
Energy: 1.0083450252451043
Energy: 1.1178484448853732
Energy: 0.9719682430814702
Energy: 0.9718185758999952
Energy: 0.9614452124171873
Energy: 0.9721799699097596
Energy: 0.9608349580745901
Energy: 1.1041995410935503
Energy: 0.9598123714969341
Energy: 0.8713833512528286
Energy: 0.753050684041886
Energy: 0.9601821783494697
Energy: 0.8764034169864124
Energy: 1.0985825009518566
Energy: 0.9601685490713198
Energy: 0.9598589898331611
Energy: 0.7537065574206773
Energy: 0.9607063976288287
Energy: 0.9599340002640173
Energy: 1.1003242721314281
Energy: 0.9647203119500299
Energy: 0.9610186771919823
Energy: 0.9610001886897682
Energy: 0.970471474297192
Energy: 0.9595416138375423
Energy: 1.1094832524820186
Energy: 0.9615400508489026
Energy: 0.9592394834909632
Energy: 0.9557652087393412
Energy: 0.9706286474541439
Energy: 0.9572771606876892
Energy: 1.179462688772745
Energy: 0.9648601875183318
Energy: 0.9652109875509308
Energy: 0.8497351926728542
Energy: 0.9656009354224594
Energy: 0.9669443083972838
Energy: 1.1244400168088056
Energy: 0.9668905175006132
Energy: 0.9669334594004528
Energy: 0.8729613644111315
Energy: 0.9663747490213122
Energy: 0.9625526003913624
Energy: 1.140741043678981
Energy: 0.8735579619068098
Energy: 0.8736586777815809
Energy: 0.9618277795282909
Energy: 0.8733153346550795
Energy: 0.9624692325649677
Energy: 1.156898080790446
Energy: 0.8653983911915083
Energy: 0.8654648496958907
Energy: 0.961056333961262
Energy: 0.8531019537487312
Energy: 0.8617727628819946
Energy: 1.1233769773303295
Energy: 0.9551259287137017
Energy: 0.9559998526357393
Energy: 0.9705637746743342
Energy: 0.9561668680778969
Energy: 0.9581923902604039
Energy: 1.1376493404178267
Energy: 0.9534891216892255
Energy: 0.9539774791366946
Energy: 0.9990816567685975
Energy: 0.9534410887982843
Energy: 0.9555887343745316
Energy: 1.1352703944402165
Energy: 0.7571062917729293
Energy: 0.7657550402060024
Energy: 0.9673699495421151
Energy: 0.7574373904702454
Energy: 0.759108269256515

minimum gb energy = 0.7392673139163982 eV
minimum distance =  2.39258857197639 Angstroms
sigma value = 33


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

Energy: 0.017805906526924754
Energy: 0.027563370185075747
Energy: 0.025449859809818155
Energy: 0.019100349122197307
Energy: 0.916687506276409
Energy: 0.02425076791282845
Energy: 0.01862581887856169
Energy: 0.11493704809913521
Energy: 0.11820947982338958
Energy: 0.11682705723350578
Energy: 0.11428125659191248
Energy: 0.11973404633891566
Energy: 1.4197947660977013
Energy: 1.0249337499813986
Energy: 0.898116556794591
Energy: 0.8945302799087315
Energy: 1.1100808749506366
Energy: 0.8950880015479921
Energy: 0.44262657245217474
Energy: 0.11493704809994429
Energy: 0.1182094798230088
Energy: 0.1168270572326491
Energy: 0.11428125659148414
Energy: 0.11973404633934398

minimum gb energy = 0.017805906526924754 eV
minimum distance =  2.48799823631177 Angstroms
sigma value = 1