Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Pt
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371556162834
cohesive_energy=5.770453839983518
mass=195.084
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=[2.14132509310734e-19, 3.08380549805784e-19, 3.8430609831440997e-19, 4.49251930350234e-19, 5.0637593605887e-19, 5.573812292022599e-19, 6.03317235475674e-19, 6.4488731042143805e-19, 6.8258652661945795e-19, 7.16788191225456e-19, 7.477758895036499e-19, 7.757771305360679e-19, 8.009729602823519e-19, 8.235187898759999e-19, 8.435411912710979e-19, 8.61150714655392e-19, 8.764402862736539e-19, 8.89493219310852e-19, 9.0038321389215e-19, 9.09175959259542e-19, 9.15929133771852e-19, 9.20694007081368e-19, 9.235218488403779e-19, 9.24455917818e-19, 9.234321269488739e-19, 9.20075566900644e-19, 9.13894369446672e-19, 9.04282911819306e-19, 8.905041927669059e-19, 8.71654584667896e-19, 8.46610961701842e-19, 8.139826345504319e-19, 7.720296393891419e-19, 7.185585964060259e-19, 6.50784922611192e-19, 5.651565924070619e-19, 4.57083369737226e-19, 3.20577920520426e-19, 1.4776778964783957e-19, -7.18573015995732e-20, -3.5247245077346394e-19, -7.1353737483507e-19, -1.182138792394122e-18, -1.79677700796564e-18, -2.6132301988857e-18, -3.71447028649926e-18, -5.2271813772567e-18, -7.35149135451096e-18, -1.041594255883008e-17, -1.498552655842782e-17, -2.20893694706214e-17, -3.3741839912039996e-17, -5.4270208688155195e-17, -9.422352719254979e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018953245979818015
Energy: 0.6648517961804786
Energy: 0.020714890412683803
Energy: 0.022319292720802734
Energy: 0.6648623672547125
Energy: 0.019905429163030855
Energy: 0.664851796179173
Energy: 0.11263186609869669
Energy: 0.11185656115980687
Energy: 0.11190582702732259
Energy: 0.11187060361721471
Energy: 0.11191206215507327
Energy: 0.02071489041318825
Energy: 0.11185656116268522
Energy: 0.11252307600490324
Energy: 0.02098888756532875
Energy: 0.11196464621002893
Energy: 0.11331986682314794
Energy: 0.02231929272130719
Energy: 0.11190582702993386
Energy: 0.020988887565061686
Energy: 0.019417576224956212
Energy: 0.11193804230058439
Energy: 0.019946902165432448
Energy: 0.6648623672547125
Energy: 0.11187060361668057
Energy: 0.1119646462094948
Energy: 0.11193804230085146
Energy: 0.11194606550425756
Energy: 0.11187912426086467
Energy: 0.01990542916249673
Energy: 0.11191206215453917
Energy: 0.11331986682314794
Energy: 0.019946902165165384
Energy: 0.1118791242621703
Energy: 0.020149837810881272

minimum gb energy = 0.018953245979818015 eV
minimum distance =  2.76347127012312 Angstroms
sigma value = 1


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

Energy: 2.116073315590907
Energy: 1.9736194892640821
Energy: 1.4435433413333896
Energy: 2.1130019535627693
Energy: 1.9745844163378787
Energy: 2.0183772232790678
Energy: 1.9550155779311729
Energy: 1.2798338326601695
Energy: 1.2758713232248315
Energy: 1.4841947697331048
Energy: 1.2774365226631867
Energy: 1.3585285977733124
Energy: 1.9632757392872195
Energy: 1.3239842940726954
Energy: 1.3253131220296142
Energy: 1.9647817004508261
Energy: 1.3587377808135164
Energy: 1.2956445986662832
Energy: 2.0379530084701503
Energy: 1.5976627338394738
Energy: 1.6130498735223704
Energy: 1.795201443965941
Energy: 1.5683784743324027
Energy: 1.610947222334652
Energy: 1.9056183304551164
Energy: 1.338755383086108
Energy: 1.3403887759437152
Energy: 1.4580537520837107
Energy: 1.3999161219250724
Energy: 1.331716366352417
Energy: 1.7122409050973961
Energy: 1.3092623265474053
Energy: 1.309558070331969
Energy: 1.7157673335726125
Energy: 1.4007322827384865
Energy: 1.3131087272552688
Energy: 1.7864789099129197
Energy: 1.5914364038149305
Energy: 1.4034299916964073
Energy: 1.7569492289347968
Energy: 1.7909540175312433
Energy: 1.3862349110215713
Energy: 1.9086369730993018
Energy: 1.4238752767101333
Energy: 1.5008829609930578
Energy: 1.790953626750996
Energy: 1.6114531893622426
Energy: 1.4932979507223294
Energy: 1.4889519327603675
Energy: 1.3245551264725675
Energy: 1.3105317321155867
Energy: 1.4220431387309982
Energy: 1.609879791980662
Energy: 1.2806127078337928
Energy: 1.5214363699997964
Energy: 1.5218375007451488
Energy: 1.4484233054848774
Energy: 1.5242949875584044
Energy: 1.4956486530750353
Energy: 1.4346439026867575
Energy: 1.7533687877414932
Energy: 1.6315602201219044
Energy: 1.6206151207443784
Energy: 1.7868539943366084
Energy: 1.6377921122550747
Energy: 1.8769414980262724
Energy: 1.3150947135790694
Energy: 1.49678070986539
Energy: 1.2931579386534866
Energy: 1.3169753537047233
Energy: 1.5498958186911633
Energy: 1.2941379427922897
Energy: 1.2758559166188888
Energy: 1.4289275989239525
Energy: 1.2077186412000893
Energy: 1.2758437521336494
Energy: 1.4242821867384707
Energy: 1.2460652123255946
Energy: 1.3440051619278977
Energy: 1.7446672211376708
Energy: 1.82269251815566
Energy: 1.3436436304628894
Energy: 1.7490297150233363
Energy: 1.6270796651112824
Energy: 1.326221462879557
Energy: 1.4050620510470848
Energy: 1.2913207789208503
Energy: 1.3279063117165906
Energy: 1.6546343417679046
Energy: 1.2916569393650519
Energy: 1.4055559193822607
Energy: 1.4353918546908084
Energy: 1.2941780050822564
Energy: 1.4072237172585829
Energy: 1.5760045345144575
Energy: 1.299761871523915
Energy: 1.8205261133095563
Energy: 1.499894722143552
Energy: 1.5339838383179052
Energy: 1.73183299921583
Energy: 1.7016301421672448
Energy: 1.5254947599613395
Energy: 1.5881148251962003
Energy: 1.4476416744385439
Energy: 1.4427605224892877
Energy: 1.5581276401987985
Energy: 1.7035711118764076
Energy: 1.3306340014124713
Energy: 1.5924906890876696
Energy: 1.2789898905006085
Energy: 1.2729870895098705
Energy: 1.612552924493619
Energy: 1.55571288459251
Energy: 1.281667354541992
Energy: 1.8592102136413835
Energy: 1.5200833210208733
Energy: 1.4453521622064998
Energy: 1.7050244462727482
Energy: 1.61333627769893
Energy: 1.4420991567607953
Energy: 2.07484565966198
Energy: 1.7447408293622266
Energy: 1.7220063091874942
Energy: 2.069170785053673
Energy: 1.852625328935229
Energy: 1.618759500985383
Energy: 1.8207090798252448
Energy: 1.3436156718801284
Energy: 1.3362013298601387
Energy: 1.8235283087272958
Energy: 1.3701648185800048
Energy: 1.3057579104879962
Energy: 1.909599122418557
Energy: 1.315029974250037
Energy: 1.3167240937117635
Energy: 1.6876541808298338
Energy: 1.348311158595774
Energy: 1.3946474366106223

minimum gb energy = 1.2077186412000893 eV
minimum distance =  2.4843283820775 Angstroms
sigma value = 33


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

Energy: 2.479964280338529
Energy: 1.4887071434436618
Energy: 1.8617966369666914
Energy: 1.8608073498769713
Energy: 2.0191468793456275
Energy: 1.8549077846361495
Energy: 2.025862822664649
Energy: 1.2762992313802546
Energy: 1.2932832391861226
Energy: 1.7921499779327867
Energy: 1.2766578836590965
Energy: 1.416256976464247
Energy: 1.8606205821793411
Energy: 1.2893078758681444
Energy: 1.292279079757916
Energy: 1.8601570882349863
Energy: 1.2908889882818717
Energy: 1.2528069819544665
Energy: 1.9965046553731725
Energy: 1.4837984839060359
Energy: 1.4860746343060007
Energy: 1.9923133938726416
Energy: 1.3957894345697144
Energy: 1.500962166718192
Energy: 1.969777041047476
Energy: 1.4311308667249896
Energy: 1.4129327921912296
Energy: 1.9719177722762025
Energy: 1.4283195727169125
Energy: 1.4227039928310403
Energy: 1.82830731395223
Energy: 1.46972984505912
Energy: 1.360815763424395
Energy: 1.8300702666729114
Energy: 1.5202751989536574
Energy: 1.3173888168066403
Energy: 1.779596373485046
Energy: 1.7308292319828107
Energy: 1.5068832409548953
Energy: 1.7806779983122558
Energy: 1.7360889910267399
Energy: 1.4934711072495006
Energy: 1.8694309374819418
Energy: 1.4318247309204346
Energy: 1.4439297841957848
Energy: 1.544991573809772
Energy: 1.5973379966881616
Energy: 1.402045096273596
Energy: 1.3938010758569142
Energy: 1.4216102198479383
Energy: 1.3150014106816255
Energy: 1.3938965745617566
Energy: 1.485172935993618
Energy: 1.2940464140534682
Energy: 1.498990162788247
Energy: 1.5082000797810664
Energy: 1.4820910012763047
Energy: 1.4860399633660264
Energy: 1.5514930745159516
Energy: 1.4004801624853007
Energy: 1.7112524853416207
Energy: 1.7650414601668971
Energy: 1.7648963516908622
Energy: 1.711330301724558
Energy: 1.76541460545039
Energy: 1.7723591780303625
Energy: 1.4266812019633957
Energy: 1.5398868779415968
Energy: 1.368882789015856
Energy: 1.306778881484421
Energy: 1.965369821755583
Energy: 1.3292803342074124
Energy: 1.2729050812730252
Energy: 1.3396586377603974
Energy: 1.3428131549026154
Energy: 1.2727882634701129
Energy: 1.4756196596062698
Energy: 1.2735557483477196
Energy: 1.5031557506416084
Energy: 1.654482131757
Energy: 1.6125723953264228
Energy: 1.5823214830011434
Energy: 1.7407776681375637
Energy: 1.4689124227684334
Energy: 1.437892008024136
Energy: 1.3884652053385111
Energy: 1.3594936684680357
Energy: 1.439163341143837
Energy: 1.8511645034817146
Energy: 1.3619876053910134
Energy: 1.5649030538525193
Energy: 1.5695095006778563
Energy: 1.4226610630047485
Energy: 1.5669146213199356
Energy: 1.7887458317459795
Energy: 1.3545860780032688
Energy: 1.8960415126845271
Energy: 1.5329452819709466
Energy: 1.507721802443601
Energy: 1.8983932007143691
Energy: 1.521145055189496
Energy: 1.5332722741746725
Energy: 1.5682168407356252
Energy: 1.5312049335372155
Energy: 1.5449717403445007
Energy: 1.5687549080034633
Energy: 1.5279549757422781
Energy: 1.4072339934104932
Energy: 1.6629037021509019
Energy: 1.3039448542328322
Energy: 1.2997537689768157
Energy: 1.6632587378264083
Energy: 1.465902291921664
Energy: 1.3122650365577564
Energy: 1.9332371031373465
Energy: 1.4030428043441616
Energy: 1.4081436562946141
Energy: 1.8152455779427668
Energy: 1.4926639803401502
Energy: 1.3962929180759847
Energy: 2.3135939533727146
Energy: 1.7167751185175544
Energy: 1.630627258135366
Energy: 1.7659497010186995
Energy: 1.7174284871508068
Energy: 1.7653325440578582
Energy: 1.963182331348278
Energy: 1.311414953907331
Energy: 1.3107974436914496
Energy: 1.965259461244201
Energy: 1.4331995220200615
Energy: 1.384646853133057
Energy: 1.920647981892251
Energy: 1.2631515709199803
Energy: 1.261610889565134
Energy: 1.8042840517672258
Energy: 1.2773976626352959
Energy: 1.2352888318531268
Energy: 1.9927995406068
Energy: 1.3701659172022158
Energy: 1.372696277137661
Energy: 1.7407544773150527
Energy: 1.4586140814136501
Energy: 1.6803576606697708
Energy: 1.9329945784740359
Energy: 1.3622243605371291
Energy: 1.3657493367303424
Energy: 1.9350532094187418
Energy: 1.3595015012016645
Energy: 1.3715924532206627
Energy: 1.8561465571551872
Energy: 1.3531746438703751
Energy: 1.3617433258847538
Energy: 1.858102171508234
Energy: 1.483359417410517
Energy: 1.362232842348797
Energy: 1.7505286515337177
Energy: 1.784165468657881
Energy: 1.5119822760580288
Energy: 1.7067153721508153
Energy: 1.8826445611805762
Energy: 1.6474077132822837
Energy: 1.8576917069690593
Energy: 1.410409839504075
Energy: 1.382708177931098
Energy: 1.5596138054320474
Energy: 1.5687314997423307
Energy: 1.4576439921005238
Energy: 1.4780114841333647
Energy: 1.3893296490917877
Energy: 1.4533513963627
Energy: 1.4772825444479898
Energy: 1.6548247620087029
Energy: 1.34870247489723
Energy: 1.3885694125212051
Energy: 1.4615807640578806
Energy: 1.497652683190124
Energy: 1.3916438823971662
Energy: 1.4966938953801805
Energy: 1.311574461901226
Energy: 1.7153286857571255
Energy: 1.6723610542680913
Energy: 1.6825948339942953
Energy: 1.7116586376997498
Energy: 1.5253626845660448
Energy: 1.5017002384258018
Energy: 1.4269294715875531
Energy: 1.5552061835094801
Energy: 1.340449517961723
Energy: 1.4270627851491073
Energy: 1.9708209660148222
Energy: 1.3786463783785254
Energy: 1.2774037367109483
Energy: 1.3605158404075084
Energy: 1.2715975923282126
Energy: 1.2772948931126125
Energy: 1.508396930170583
Energy: 1.2598178601629486
Energy: 1.3354507585412736
Energy: 1.6528734040774244
Energy: 1.6121824241769003
Energy: 1.3364694193888118
Energy: 1.7391952205946866
Energy: 1.4516551148208288
Energy: 1.431273992962447
Energy: 1.364541787572666
Energy: 1.3651875773672155
Energy: 1.4332749368628128
Energy: 1.553676858637986
Energy: 1.3600198985483423
Energy: 1.5392312367976515
Energy: 1.6071526015455384
Energy: 1.349675903758283
Energy: 1.5196605002170491
Energy: 1.8114413280593777
Energy: 1.3638517381753084
Energy: 1.8336604639819623
Energy: 1.603135401904691
Energy: 1.6046710706428442
Energy: 1.8372199759288521
Energy: 1.628065063211867
Energy: 1.5963414803944114
Energy: 1.6621164202105434
Energy: 1.6224423502207168
Energy: 1.5857490272523413
Energy: 1.663636770211827
Energy: 1.6006847903134918
Energy: 1.5782752782078449
Energy: 1.6585104084159357
Energy: 1.338705861913835
Energy: 1.394437072795833
Energy: 1.660041126790012
Energy: 1.3393624742384576
Energy: 1.451694508638503
Energy: 2.012281733053136
Energy: 1.3475225808903373
Energy: 1.331834534194721
Energy: 1.6175190829527073
Energy: 1.4210367024060493
Energy: 1.4598933998740669
Energy: 2.0188589388884757
Energy: 1.527763958397638
Energy: 1.3969129892503958
Energy: 1.8070221705714735
Energy: 1.5152976462675996
Energy: 1.3407331299973027

minimum gb energy = 1.2352888318531268 eV
minimum distance =  2.51770152765324 Angstroms
sigma value = 51


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

Energy: 2.129811679038539
Energy: 1.3984489214468683
Energy: 2.0737323740021534
Energy: 2.124016080632237
Energy: 1.4514809466008858
Energy: 1.7619302753802293
Energy: 1.9454962868046053
Energy: 1.259445336442855
Energy: 1.2596856809363615
Energy: 1.8480441420846505
Energy: 1.258698432395145
Energy: 1.3815390289833114
Energy: 1.880036155068112
Energy: 1.2531806977699897
Energy: 1.2528135752402199
Energy: 1.8566143198162546
Energy: 1.2533686752359703
Energy: 1.195103247803022
Energy: 1.8804883241007233
Energy: 1.7080735509869003
Energy: 1.55561896619701
Energy: 1.7560603337067975
Energy: 1.6401001179644383
Energy: 1.5942147975881666
Energy: 1.8787854591849413
Energy: 1.4627947462956088
Energy: 1.4688852469377276
Energy: 1.8784701827871046
Energy: 1.5541035995860044
Energy: 1.4709734451964722
Energy: 1.6113658757412266
Energy: 1.4752394824878012
Energy: 1.4163209176722993
Energy: 1.6138162418413193
Energy: 1.56229465070475
Energy: 1.3310827083168684
Energy: 1.6194568835730292
Energy: 1.5956251559266605
Energy: 1.4383177608490059
Energy: 1.6219407556261038
Energy: 1.5889557030803982
Energy: 1.4967222494477685
Energy: 1.799623935941005
Energy: 1.7144586257020986
Energy: 1.6599406552311944
Energy: 1.7997476290514893
Energy: 1.795331446978782
Energy: 1.6469141989979663
Energy: 1.311174848097781
Energy: 1.6903929264447863
Energy: 1.5405823644379728
Energy: 1.311297774500392
Energy: 1.7784311151805545
Energy: 1.2534596184760964
Energy: 1.2594406064398682
Energy: 1.466498492941508
Energy: 1.3228835507091297
Energy: 1.2598557650247775
Energy: 1.6534909336201136
Energy: 1.261162330879177
Energy: 1.2607140358960607
Energy: 1.899345578622697
Energy: 1.8891267582079263
Energy: 1.2603123098181759
Energy: 1.8904327289651992
Energy: 1.90694546752712
Energy: 1.3660673197130278
Energy: 1.452243016041381
Energy: 1.3385822412083805
Energy: 1.365776507511721
Energy: 1.605914062141838
Energy: 1.3384223276588243
Energy: 1.3640272202558605
Energy: 1.4794503182296184
Energy: 1.2208642505966154
Energy: 1.3662023622615376
Energy: 1.7199398484293509
Energy: 1.280428060301512
Energy: 1.8128355202604909
Energy: 1.5773733271461494
Energy: 1.5782235028616522
Energy: 1.4546060317601994
Energy: 1.6303600161444505
Energy: 1.5718803535238133
Energy: 1.7807797937981762
Energy: 1.677945425494514
Energy: 1.6135950152893863
Energy: 1.7188995540979195
Energy: 1.7242885086826987
Energy: 1.6156042608552035
Energy: 1.672518542599689
Energy: 1.4050051736924598
Energy: 1.3189879523445776
Energy: 1.6716404349659653
Energy: 1.4930955849607666
Energy: 1.4223767601362856
Energy: 1.9092556572650978
Energy: 1.3131317400025588
Energy: 1.2862236936923381
Energy: 1.8097049241202767
Energy: 1.3455448547728648
Energy: 1.3761297974862174
Energy: 2.0110651901763243
Energy: 1.4699537114834136
Energy: 1.38332082847621
Energy: 2.011512170448764
Energy: 1.469123679917065
Energy: 1.2803455943035755

minimum gb energy = 1.195103247803022 eV
minimum distance =  2.51090045383877 Angstroms
sigma value = 19


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

Energy: 1.739737564341921
Energy: 2.088353619138881
Energy: 1.4541818046916493
Energy: 1.739317509763883
Energy: 2.08818790549225
Energy: 1.4561123674650258
Energy: 1.8104235700320688
Energy: 1.1344811798024435
Energy: 1.134434904743144
Energy: 1.6870726202370732
Energy: 1.1730621297805617
Energy: 1.313058539559413
Energy: 1.794889343570809
Energy: 1.1613174778810054
Energy: 1.1618919744685292
Energy: 1.6752884758004782
Energy: 1.1614373868462047
Energy: 1.3662807568491548
Energy: 1.4257089021523122
Energy: 1.2499699912236557
Energy: 1.4350791917198666
Energy: 1.4262444724502796
Energy: 1.3512513139362077
Energy: 1.3669555120393846
Energy: 1.8380166550965664
Energy: 1.3540580517730854
Energy: 1.3538119714234533
Energy: 1.6627090729530942
Energy: 1.3538234547249481
Energy: 1.3536668102324967
Energy: 1.4307553102772008
Energy: 1.1836627646844697
Energy: 1.385877467870903
Energy: 1.4351073291282699
Energy: 1.1848995012240082
Energy: 1.4767428757133132
Energy: 1.441243588589222
Energy: 1.6981726889053934
Energy: 1.4905193959419605
Energy: 1.4433469778219479
Energy: 1.7650843101848586
Energy: 1.4903380615562454
Energy: 1.5739509706249926
Energy: 1.4548364106595575
Energy: 1.4545409786054708
Energy: 1.5738861445974273
Energy: 1.7422666513724507
Energy: 1.3650539734841332
Energy: 1.172729423112105
Energy: 1.487746410886278
Energy: 1.4843327913054836
Energy: 1.172882981407211
Energy: 1.752113997795439
Energy: 1.3100257827758381
Energy: 1.1620186195592141
Energy: 1.16388985010133
Energy: 1.161705201616937
Energy: 1.1636173232149656
Energy: 1.6622573251951878
Energy: 1.1618010177109126
Energy: 1.3067851928827465
Energy: 1.4324578738581655
Energy: 1.2986441891382647
Energy: 1.248453756526529
Energy: 1.4275866986215744
Energy: 1.4347375450912114
Energy: 1.4737101292020716
Energy: 1.3540004092732723
Energy: 1.3667642238186293
Energy: 1.3542873015635124
Energy: 1.6621441066946947
Energy: 1.3668209429937113
Energy: 1.1075146046966702
Energy: 1.3866997611930796
Energy: 1.3002862933046044
Energy: 1.1107192558851522
Energy: 1.5073222398016768
Energy: 1.3010979996473604
Energy: 1.8096365375717567
Energy: 1.3022231587722002
Energy: 1.3005870589196982
Energy: 1.689741619112932
Energy: 1.435722453010333
Energy: 1.3001822425354659
Energy: 1.7438122919096286
Energy: 1.5737486395272984
Energy: 1.3770732148866356
Energy: 1.7479262442149344
Energy: 1.573770438459317
Energy: 1.309637326141442
Energy: 1.7409027944074629
Energy: 1.259680021856985
Energy: 1.36585715535413
Energy: 1.7413775131028335
Energy: 1.25956986702527
Energy: 1.4544923882367593
Energy: 1.7787383532753822
Energy: 1.1346667797901107
Energy: 1.1344256347516175
Energy: 1.6864510832309227
Energy: 1.1619556235814488
Energy: 1.3134131616959208
Energy: 1.662610432870702
Energy: 1.1624633884046016
Energy: 1.1617670127640078
Energy: 1.6642418354245339
Energy: 1.1620152738386182
Energy: 1.3664768508530147
Energy: 1.4620632199531278
Energy: 1.3669449160624434
Energy: 1.3673193288200403
Energy: 1.462637464630006
Energy: 1.3667008645017524
Energy: 1.3675969899058489
Energy: 1.5046641303331425
Energy: 1.1075763005965928
Energy: 1.3216919795902706
Energy: 1.505928278691871
Energy: 1.1073985878202939
Energy: 1.3209721745352814
Energy: 1.4307760862835883
Energy: 1.3859669670811445
Energy: 1.3854635136875217
Energy: 1.4319864024225768
Energy: 1.386024833720879
Energy: 1.3003239668403754
Energy: 1.4400015057479005
Energy: 1.4923880440603263
Energy: 1.4936625394621375
Energy: 1.441159889129484
Energy: 1.741744987922071
Energy: 1.4913130067934774
Energy: 1.4962777341245368
Energy: 1.4538834977574933
Energy: 1.453974877966797
Energy: 1.3125124865721025
Energy: 1.7404808422482898
Energy: 1.454225780649399
Energy: 1.175109997059587
Energy: 1.496099938476108
Energy: 1.3132254494092281
Energy: 1.172992788310462
Energy: 1.7789391029638333
Energy: 1.313050138768749
Energy: 1.2242284454229149
Energy: 1.3678654544241422
Energy: 1.3662142614381316
Energy: 1.1614197757470528
Energy: 1.377905677413677
Energy: 1.1619550808455072
Energy: 1.312718207392508
Energy: 1.4272760191872518
Energy: 1.4025503502731171
Energy: 1.3034371830210452
Energy: 1.4285798795940667
Energy: 1.3819244686650256
Energy: 1.4735146925403773
Energy: 1.3538417348566822
Energy: 1.3538822952895004
Energy: 1.3554749183410373
Energy: 1.6624690786946177
Energy: 1.3537460280121478
Energy: 1.1842057414957707
Energy: 1.3000782464372362
Energy: 1.3002565814756786
Energy: 1.185653223721382
Energy: 1.3010918764745103
Energy: 1.385721922672765
Energy: 1.8082140554588233
Energy: 1.3002353851284796
Energy: 1.3002106319796025
Energy: 1.6890372823607318
Energy: 1.4343051875722388
Energy: 1.3002786972852964
Energy: 1.741103402250427
Energy: 1.3927326333748435
Energy: 1.3652045581863999
Energy: 1.7412672301214212
Energy: 1.5742215189296511
Energy: 1.4543832546046707

minimum gb energy = 1.1073985878202939 eV
minimum distance =  2.48449696863098 Angstroms
sigma value = 27


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

Energy: 1.475272977301555
Energy: 1.919865724751572
Energy: 1.796460930573099
Energy: 1.4769820610915294
Energy: 1.918731837107455
Energy: 1.7938588404985663
Energy: 1.9813167966026886
Energy: 1.2675748233587554
Energy: 1.3591313270974115
Energy: 1.764997542508901
Energy: 1.2690409439648453
Energy: 1.3593051341578406
Energy: 1.939011065895626
Energy: 1.1692000333846904
Energy: 1.1673029527525915
Energy: 1.4462726623991358
Energy: 1.1725992830763947
Energy: 1.1674876988065819
Energy: 2.0134800932018253
Energy: 1.568996127851788
Energy: 1.6163241622303803
Energy: 1.4468846265344453
Energy: 1.211065181118751
Energy: 1.4036200976810191
Energy: 1.553203908815984
Energy: 1.4325155632050652
Energy: 1.3945081064127585
Energy: 1.329404261993533
Energy: 1.6142811804194632
Energy: 1.400942188188074
Energy: 1.2074459806485818
Energy: 1.3391395656084248
Energy: 1.338123531396401
Energy: 1.2073339534143817
Energy: 1.4873436557828694
Energy: 1.4392867983865807
Energy: 1.2577862703782938
Energy: 1.2893928258803313
Energy: 1.2770144497229226
Energy: 1.259154061301076
Energy: 1.32428828628012
Energy: 1.304565054122168
Energy: 1.2914549042474999
Energy: 1.568551468557792
Energy: 1.572429065737759
Energy: 1.2913458576047947
Energy: 1.6522836068731919
Energy: 1.589441433594779
Energy: 1.534935723049228
Energy: 1.449149878481662
Energy: 1.528318852885666
Energy: 1.2935791965328085
Energy: 1.549077272685121
Energy: 1.2927723399904922
Energy: 1.3670675498244163
Energy: 1.3240712811748778
Energy: 1.2992836032658626
Energy: 1.2799293177137983
Energy: 1.3138420652387464
Energy: 1.232324408133392
Energy: 1.4946377350974547
Energy: 1.231148691417705
Energy: 1.2341151137641069
Energy: 1.4081645686338626
Energy: 1.3008609711464716
Energy: 1.230939051084373
Energy: 1.9158202787168914
Energy: 1.2712133813595357
Energy: 1.462591745260795
Energy: 1.7688924263767152
Energy: 1.5274717248546992
Energy: 1.517037185227499

minimum gb energy = 1.1673029527525915 eV
minimum distance =  2.52979361829549 Angstroms
sigma value = 9


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

Energy: 2.238777763853574
Energy: 2.053073367503224
Energy: 1.4744718351272401
Energy: 2.211498426447312
Energy: 2.2450031577985317
Energy: 1.6826923237239346
Energy: 1.5099416644503205
Energy: 1.1529020983289264
Energy: 1.2424436942823012
Energy: 1.3875925024004787
Energy: 1.1542192823489048
Energy: 1.135161713089426
Energy: 1.5182758034445043
Energy: 1.0377495088631887
Energy: 1.0301373791074873
Energy: 1.274343865844186
Energy: 1.034528170330677
Energy: 1.1684486957323539
Energy: 1.4575087179342534
Energy: 1.2210795200736895
Energy: 1.2599986142468707
Energy: 1.4610842295522453
Energy: 1.2351335129005148
Energy: 1.254901785708362
Energy: 1.6118496419560906
Energy: 1.3876818425705606
Energy: 1.3753654053646904
Energy: 1.4233400894376076
Energy: 1.4072925965395213
Energy: 1.374021797968464
Energy: 1.1782888322217466
Energy: 1.3980618243278309
Energy: 1.5380099151960918
Energy: 1.178221565895075
Energy: 1.393268790532194
Energy: 1.4030337242064101
Energy: 1.181086950960771
Energy: 1.335032813651685
Energy: 1.2505174283805955
Energy: 1.1837511446455953
Energy: 1.5764478167191767
Energy: 1.252575969357812
Energy: 1.1417956976356503
Energy: 1.267650265711861
Energy: 1.4328029383801972
Energy: 1.142728965860009
Energy: 1.3066050098243374
Energy: 1.2864696592853357
Energy: 1.6279293337058853
Energy: 1.3318355122792114
Energy: 1.3278794697778502
Energy: 1.5821286870638622
Energy: 1.3449648233258684
Energy: 1.3187091967778413
Energy: 1.702550412685661
Energy: 1.2383015277021892
Energy: 1.3240633117774274
Energy: 1.704453627023375
Energy: 1.424661157468355
Energy: 1.4012215564648884
Energy: 1.7176094656439873
Energy: 1.0964607250226692
Energy: 1.0962677159773953
Energy: 1.4681046301321947
Energy: 1.1008752877132775
Energy: 1.1455463071119176
Energy: 1.693884554830012
Energy: 1.1354944208768865
Energy: 1.145575560258451
Energy: 1.3831351538873973
Energy: 1.1357629766618125
Energy: 1.1612200822825365
Energy: 1.9693358701761707
Energy: 1.3836038495117189
Energy: 1.3744098622308802
Energy: 1.958457478012777
Energy: 1.7830339282067167
Energy: 1.536565901478534
Energy: 1.5886537257576432
Energy: 1.3350881832732904
Energy: 1.3308219489113626
Energy: 1.3400018414253847
Energy: 1.5515583643025124
Energy: 1.314863370853418
Energy: 1.2530258679570332
Energy: 1.1304393393266379
Energy: 1.136036523703726
Energy: 1.2545063488979857
Energy: 1.2102277798938585
Energy: 1.3074150359901031
Energy: 1.0992395356001061
Energy: 1.2351349769308457
Energy: 1.1531595318040129
Energy: 1.0342150652338986
Energy: 1.132411323410491
Energy: 1.0893779627978313
Energy: 1.1527451529666939
Energy: 1.402729629809731
Energy: 1.4024409623687777
Energy: 1.153624145731462
Energy: 1.4486464065880238
Energy: 1.3575103019135433
Energy: 1.3846158042069132
Energy: 1.5428907628994775
Energy: 1.5703013755301876
Energy: 1.3848775194607463
Energy: 1.5343896427823727
Energy: 1.5078090345591904
Energy: 1.316088597457418
Energy: 1.1540692463748154
Energy: 1.2381808850605973
Energy: 1.2800692774350182
Energy: 1.2059936715565904
Energy: 1.274582581477872
Energy: 1.126174763643495
Energy: 1.1426558473012027
Energy: 1.2070708582313723
Energy: 1.128175973598868
Energy: 1.1303182318762308
Energy: 1.2553597224296782
Energy: 1.3137905869524653
Energy: 1.206600449015386
Energy: 1.2793068786934878
Energy: 1.2564521718939354
Energy: 1.2880173979549867
Energy: 1.3908988907239623
Energy: 2.2361529088666545
Energy: 1.3951740101179058
Energy: 1.3704834147492464
Energy: 1.679697522199167
Energy: 1.380879544975244
Energy: 1.6852723970199694
Energy: 2.238189316960807
Energy: 1.1523199880736064
Energy: 1.3437874473370408
Energy: 1.5059459861911733
Energy: 1.1515970758147838
Energy: 1.3311655529828215
Energy: 1.510456184598414
Energy: 1.0301528770452473
Energy: 1.0364737767573426
Energy: 1.410912131921024
Energy: 1.0779434462273496
Energy: 1.1177875950672957
Energy: 1.4536023799675017
Energy: 1.2026728975729544
Energy: 1.3525695512603915
Energy: 1.4588220844427249
Energy: 1.1480036566363714
Energy: 1.291096841165661
Energy: 1.5530164927901944
Energy: 1.4547661801001028
Energy: 1.4215245163068706
Energy: 1.55438485879255
Energy: 1.5334198513280872
Energy: 1.394070932802719
Energy: 1.4106539521507893
Energy: 1.3947981080952685
Energy: 1.3889350000230953
Energy: 1.396033461017924
Energy: 1.6987238412439591
Energy: 1.7352099620230976
Energy: 1.1478426320042916
Energy: 1.3590411956411932
Energy: 1.3033406418602496
Energy: 1.1496627559945083
Energy: 1.3995662095861279
Energy: 1.1458154078758525
Energy: 1.139232239367466
Energy: 1.3624454840288867
Energy: 1.347246271162235
Energy: 1.138212843010309
Energy: 1.4012955614575797
Energy: 1.189008628137909
Energy: 1.5036164179468425
Energy: 1.2686257180124194
Energy: 1.4320145923313006
Energy: 1.4358920350614186
Energy: 1.3060973894430057
Energy: 1.3751829064297443
Energy: 1.7827504904381557
Energy: 1.242625281517056
Energy: 1.3442098627164423
Energy: 1.5430314027362555
Energy: 1.4808476906446875
Energy: 1.3276247032655148
Energy: 1.698661144848983
Energy: 1.1997826553929145
Energy: 1.2533930417246022
Energy: 1.7116115927882778
Energy: 1.1996133402943197
Energy: 1.4253474566940423
Energy: 1.729263253356652
Energy: 1.1767913667855887
Energy: 1.1770892853794295
Energy: 1.3461066824083878
Energy: 1.2170536648354582
Energy: 1.2771056127980576
Energy: 1.968985473468475
Energy: 1.1406409107142523
Energy: 1.1419894528757686
Energy: 1.9591468648570216
Energy: 1.1483239386566637
Energy: 1.5601485751240152
Energy: 2.0238411991076832
Energy: 1.3413050055499587
Energy: 1.4660999172334996
Energy: 1.3671990475571798
Energy: 1.2736914691431023
Energy: 1.4685696112741047
Energy: 1.3172893778179324
Energy: 1.1395135945517345
Energy: 1.1949112655032441
Energy: 1.3131296409202289
Energy: 1.2168020338110674
Energy: 1.2259460627285765
Energy: 1.0480376949001255
Energy: 1.2417860814149941
Energy: 1.255561939499308
Energy: 1.049913665221639
Energy: 1.2119419422245978
Energy: 1.1036989090601863
Energy: 1.161041541455267
Energy: 1.3643229409216806
Energy: 1.339037354737144
Energy: 1.163247671525733
Energy: 1.3470370101053595
Energy: 1.2997825353022734
Energy: 1.5193231970481498
Energy: 1.5398653466207814
Energy: 1.5392101472170914
Energy: 1.71643944009665
Energy: 1.9521358437818324
Energy: 1.9026562179283038
Energy: 1.3481389906726557
Energy: 1.5148454760714758
Energy: 1.3105852949287122
Energy: 1.345539553281073
Energy: 1.529144684446035
Energy: 1.3124446340772542
Energy: 1.1250967453533793
Energy: 1.1425725818708088
Energy: 1.235966640322219
Energy: 1.1270164290118334
Energy: 1.091118999589879
Energy: 1.180550389891011
Energy: 1.2237737326053928
Energy: 1.0794266588635315
Energy: 1.0858100524018988
Energy: 1.1236194666843196
Energy: 1.1150088632205901
Energy: 1.1387569846383916
Energy: 2.2168689236082226
Energy: 1.3513538085099115
Energy: 1.3591865036435096
Energy: 1.5146894806678162
Energy: 1.3657383187259333
Energy: 1.310527901105685

minimum gb energy = 1.0301373791074873 eV
minimum distance =  2.56836018448199 Angstroms
sigma value = 57


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

Energy: 0.5233795982809574
Energy: 1.6215542003646275
Energy: 0.5345452442395725
Energy: 0.5273610904975193
Energy: 1.6224101652791685
Energy: 0.5240121812096481
Energy: 0.6244959671489616
Energy: 0.7010738449537154
Energy: 0.7019565456183856
Energy: 0.571039469871065
Energy: 0.571842233075031
Energy: 0.7018214100031294
Energy: 0.625335486597548
Energy: 0.7169773443906042
Energy: 0.7171628362237339
Energy: 0.6269857506099313
Energy: 0.5709099462940719
Energy: 0.7171026000807154
Energy: 0.6239251339523219
Energy: 0.738871353776945
Energy: 0.7387505765719055
Energy: 0.6282750023002637
Energy: 0.6256294000803345
Energy: 0.7390329434133903
Energy: 0.6241514854775054
Energy: 0.5242634882337804
Energy: 0.524464526018224
Energy: 0.625040868530282
Energy: 0.5242041210342749
Energy: 0.7028647813053746
Energy: 0.5714007263553705
Energy: 0.5241826062706023
Energy: 0.5241600928850654
Energy: 0.5716645370035042
Energy: 0.5241326235698485
Energy: 0.5584851354279597
Energy: 0.5697170138760151
Energy: 0.7010816753700541
Energy: 0.7008013606360033
Energy: 0.5705703981406195
Energy: 0.7400270711542132
Energy: 0.7026303599588052
Energy: 0.5720335687461231
Energy: 0.7399117789707711
Energy: 0.7399870376725088
Energy: 1.2784407531075521
Energy: 0.6281506414265282
Energy: 0.7399719866399733
Energy: 0.6246728051869377
Energy: 0.7393108660499126
Energy: 0.7175385044176033
Energy: 0.6247711234916898
Energy: 0.6268437022439662
Energy: 0.7172665800793362
Energy: 0.532959501628119
Energy: 0.7171892035791305
Energy: 0.6904724475250087
Energy: 0.5242726929911291
Energy: 0.6291781354851007
Energy: 0.6836428193498628
Energy: 0.5240282903331488
Energy: 0.6904773580920133
Energy: 0.6918834785684934
Energy: 0.5241081953787566
Energy: 0.5714647069391376
Energy: 0.5596038876535729
Energy: 0.6256042624554021
Energy: 0.7192703043462454
Energy: 0.7193616833946613
Energy: 0.6261462504668147
Energy: 0.5724673557260221
Energy: 0.7170932959856691
Energy: 1.7801193081491358
Energy: 1.3877513649841753
Energy: 1.3892771445829828
Energy: 1.7903702167845652
Energy: 1.236921959586552
Energy: 1.392300979131054
Energy: 0.6249269131471816
Energy: 0.7194605739321179
Energy: 0.718799514508791
Energy: 0.6249907063879915
Energy: 0.5716998283277063
Energy: 0.7195153719270344
Energy: 0.6254900578433463
Energy: 0.524001153323158
Energy: 0.5240147030058911
Energy: 0.6253504053579003
Energy: 0.5281126720248789
Energy: 0.6905303436499455
Energy: 0.5716546608826074
Energy: 0.5723559135200545
Energy: 0.7023793263797994
Energy: 0.5720815211427973
Energy: 0.5243042552971422
Energy: 0.7020101593571
Energy: 0.5717921387990315
Energy: 0.7174096794400726
Energy: 0.7171239102996422
Energy: 0.5713951920143925
Energy: 0.6266729581510703
Energy: 0.7169848215570203
Energy: 0.6253957035059566
Energy: 0.7395063438636226
Energy: 0.7393858576503138
Energy: 0.6256002769224238
Energy: 0.6280112620297261
Energy: 0.739395018824502
Energy: 0.524167144151112
Energy: 0.7404293323999901
Energy: 0.701492366703133
Energy: 0.5242346191549379
Energy: 0.6249070929321631
Energy: 0.7027008574698447

minimum gb energy = 0.5233795982809574 eV
minimum distance =  2.6229911751942 Angstroms
sigma value = 11


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

Energy: 1.7781258127074326
Energy: 2.0005828569478417
Energy: 1.5236873218581437
Energy: 1.7814607488610037
Energy: 2.101059040053303
Energy: 1.6382858407397864
Energy: 1.065998010216933
Energy: 0.9475850976685186
Energy: 0.9736682066685447
Energy: 1.0101246969766373
Energy: 0.9058551797839213
Energy: 0.9829606073920318
Energy: 0.9262642451257467
Energy: 0.9463151563946852
Energy: 0.9906848670627194
Energy: 0.9247980866298127
Energy: 0.954591922824869
Energy: 1.0314228705655422
Energy: 0.9494185151360207
Energy: 0.9905858167996544
Energy: 1.021312410711116
Energy: 0.9516318368424304
Energy: 0.9088776659265551
Energy: 1.0079797877038186
Energy: 1.1681797497800814
Energy: 1.407911179580523
Energy: 1.3877087523717597
Energy: 1.1151589356068838
Energy: 1.4239938135009997
Energy: 1.154760019983194
Energy: 1.290141050511031
Energy: 1.5827912118487015
Energy: 1.5608867661301877
Energy: 1.3929558730941758
Energy: 1.5810610073383713
Energy: 1.6779212880674792
Energy: 1.1649668097102326
Energy: 1.1798450083722283
Energy: 1.0810602004234955
Energy: 0.9560635181660557
Energy: 1.1803283798984117
Energy: 0.938899979349691
Energy: 1.0361574024346725
Energy: 1.008338633889779
Energy: 1.06345350555103
Energy: 1.0391138175596928
Energy: 0.9478877250610565
Energy: 1.1393608189755402
Energy: 1.4871379594888883
Energy: 0.9746193171622493
Energy: 1.0172663794844836
Energy: 1.1740253238982095
Energy: 0.9714650490122189
Energy: 1.0097676428873363
Energy: 1.5623029724304314
Energy: 1.5359370394068448
Energy: 1.4237840968606466
Energy: 1.5654679518030916
Energy: 1.5428885970841222
Energy: 1.5156973200792847
Energy: 1.9497722426256958
Energy: 1.5336801957843316
Energy: 1.3836654946549851
Energy: 1.52204900882586
Energy: 1.7205525297890376
Energy: 1.4585573119743893
Energy: 1.3233918006792258
Energy: 1.191539040067091
Energy: 1.2552251787285282
Energy: 1.3241795275149615
Energy: 1.2416014064716243
Energy: 1.2980955659142908
Energy: 1.1263542221811906
Energy: 1.1855115491034824
Energy: 1.1908825635804805
Energy: 1.1060339403902486
Energy: 1.2368797640425
Energy: 1.1677019780432536
Energy: 1.1406872806616009
Energy: 1.1464376771648732
Energy: 1.1261812101603885
Energy: 1.1409467007968592
Energy: 1.4891652052183713
Energy: 1.065912334842992
Energy: 1.3981573523902584
Energy: 1.4003981945310047
Energy: 1.3106727717128557
Energy: 1.3987978027692767
Energy: 1.3877676420993479
Energy: 1.5211971629286754
Energy: 1.595086110308054
Energy: 1.3480524098250668
Energy: 1.344921054414382
Energy: 1.591797146110548
Energy: 1.399851379876355
Energy: 1.3940158863512357
Energy: 1.3527292401544433
Energy: 1.4569212605336115
Energy: 1.3869434465940855
Energy: 1.3554310431670153
Energy: 1.435675399757256
Energy: 1.4465484663725097
Energy: 1.7987682037022958
Energy: 1.2371835547610566
Energy: 1.2054768308395183
Energy: 1.3544163238394828
Energy: 1.2348764249742488
Energy: 1.1695093761480395
Energy: 1.657395928173437
Energy: 1.1098821538593298
Energy: 1.134635127846762
Energy: 1.176258954556546
Energy: 1.1089088528973434
Energy: 1.1857189545461435
Energy: 1.1848553078932675
Energy: 1.2246839163152046
Energy: 1.2848242712273652
Energy: 1.180789100769371
Energy: 1.171904267007662
Energy: 1.331327199202978
Energy: 1.596536036776798
Energy: 1.30808911384218
Energy: 1.3739805264078866
Energy: 1.5984783675007532
Energy: 1.4097198679760687
Energy: 1.4030025488562903
Energy: 1.6852391803059632
Energy: 1.502232773399771
Energy: 1.411738296851596
Energy: 1.6859359015766704
Energy: 1.5116022681261108
Energy: 1.6128012569394743
Energy: 0.9725668651472844
Energy: 1.1339800144657226
Energy: 1.0687146216667365
Energy: 0.9708851364156864
Energy: 1.5165695770247154
Energy: 0.9915739917930957
Energy: 0.9673564760347612
Energy: 1.0963189244248583
Energy: 1.130178710434442
Energy: 0.9701596528768417
Energy: 1.1232351172972193
Energy: 1.034566291013931
Energy: 0.9580425495634766
Energy: 1.0800381276322097
Energy: 1.0947630530067987
Energy: 0.9601734969167597
Energy: 1.1206848575439203
Energy: 1.1274843137861303
Energy: 2.148678176889229
Energy: 1.3168372400766528
Energy: 1.1890890898021054
Energy: 1.7254251391528335
Energy: 1.3537501124538949
Energy: 1.3787700780243806

minimum gb energy = 0.9058551797839213 eV
minimum distance =  2.53017241077979 Angstroms
sigma value = 41


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

Energy: 1.6984825088747646
Energy: 1.8444707325329017
Energy: 1.609957117370552
Energy: 1.7014292438477336
Energy: 1.8443099095454152
Energy: 1.3973838783548207
Energy: 0.9836494465891004
Energy: 1.0170085835299294
Energy: 1.0177186556848485
Energy: 1.1304343487689408
Energy: 0.9856645572339242
Energy: 1.0849621848578057
Energy: 1.0238072657731923
Energy: 1.0234938786234393
Energy: 1.0807094576433762
Energy: 1.0257044089949698
Energy: 1.0491574330570144
Energy: 1.0989050526392037
Energy: 1.04763639270147
Energy: 1.0547054586200977
Energy: 1.094359508156066
Energy: 1.0494441717188736
Energy: 0.9637878882233883
Energy: 1.058604261350256
Energy: 1.2473315630830981
Energy: 1.472988416367853
Energy: 1.4731045542381767
Energy: 0.9841355301627713
Energy: 1.2689482611605039
Energy: 1.194762372111943
Energy: 1.2158529691332076
Energy: 1.643662156012858
Energy: 1.4572478859327276
Energy: 1.375569807385457
Energy: 1.64360287332784
Energy: 1.4580508847608298
Energy: 1.3698858413352681
Energy: 1.1919253099396268
Energy: 1.2822149079382865
Energy: 1.0474522180226975
Energy: 1.2444997811061644
Energy: 1.2788140090240028
Energy: 1.1869750473834593
Energy: 1.0782915328284242
Energy: 1.1458144207252003
Energy: 1.1899244380054685
Energy: 1.091683368456642
Energy: 1.1968266266428012
Energy: 1.6757436607496266
Energy: 1.0358106304222618
Energy: 1.0343076496732622
Energy: 1.4951440802330482
Energy: 1.0377854189874485
Energy: 1.119239019817325
Energy: 1.4348369668358103
Energy: 1.3754301004429161
Energy: 1.4370522369406187
Energy: 1.4376311903338168
Energy: 1.3748323892970258
Energy: 1.4138254094985052
Energy: 1.432031916780887
Energy: 1.4573286041393154
Energy: 1.3446776783040026
Energy: 1.4282616797200336
Energy: 1.474824920755646
Energy: 1.3455414750910264
Energy: 1.4795284498839163
Energy: 1.3660556647765505
Energy: 1.3120434779642394
Energy: 1.4802615626887268
Energy: 1.4700443553831721
Energy: 1.3547575341750902
Energy: 1.3032799838364737
Energy: 1.3660539932337945
Energy: 1.311768477278125
Energy: 1.3114598605165577
Energy: 1.4703479725085375
Energy: 1.3042810295037783
Energy: 1.0354993968514916
Energy: 1.1529112077687245
Energy: 1.1039135486447715
Energy: 1.0366487959163757
Energy: 1.0565283191280757
Energy: 1.071550174736494
Energy: 1.0484923188667554
Energy: 1.3958228559287962
Energy: 1.2774125521717028
Energy: 1.0493402239460203
Energy: 1.3854912366056569
Energy: 1.2137789808601585
Energy: 1.2964393860135242
Energy: 1.0207592727905292
Energy: 1.0250217628109088
Energy: 1.2846975237300553
Energy: 1.3553760140989082
Energy: 1.061899019477509
Energy: 1.7016735681884347
Energy: 1.5016665687900324
Energy: 1.6282344401964806
Energy: 1.704034520806399
Energy: 1.501506857235995
Energy: 1.332808196591606
Energy: 2.2115697459689523
Energy: 1.1359515824470636
Energy: 1.1707542606560557
Energy: 1.5540220486221143
Energy: 0.9859224723751754
Energy: 1.2842066155711134
Energy: 1.0247007628256724
Energy: 1.0251923757130537
Energy: 1.0821074559238013
Energy: 0.9993901302828959
Energy: 1.0477431940647473
Energy: 1.0798973119332709
Energy: 1.0575831278475136
Energy: 1.0722131201406115
Energy: 1.06156381064999
Energy: 1.0505412579288014
Energy: 1.0039354332278962
Energy: 1.043778667579455
Energy: 1.0447326278020261
Energy: 1.1811441552780773
Energy: 1.0474798361221873
Energy: 0.9839461899139463
Energy: 1.1340170582839768
Energy: 1.0477501403468865
Energy: 1.5131180581568646
Energy: 1.6441171438286502
Energy: 1.6109398010918543
Energy: 1.5280494259140773
Energy: 1.7273476565881072
Energy: 1.4542002548090474
Energy: 1.456674857295697
Energy: 1.1403218298476714
Energy: 1.28221893966698
Energy: 1.0446949479949343
Energy: 1.306964234380996
Energy: 1.2802254062875178
Energy: 1.1850353818438508
Energy: 1.1146698835704933
Energy: 1.1463629233451265
Energy: 1.1876744557567755
Energy: 1.069486801176343
Energy: 1.1054530109494611
Energy: 1.7321049030664515
Energy: 1.0359700583312708
Energy: 1.0732081142959324
Energy: 1.0540808563599848
Energy: 1.0365502193327976
Energy: 1.1039032433834415
Energy: 1.4302439080249474
Energy: 1.3119351207797452
Energy: 1.3805250273414666
Energy: 1.4283630632506927
Energy: 1.0362207910619199
Energy: 1.3548089677738833
Energy: 1.4354550654056824
Energy: 1.4531157276263171
Energy: 1.4019093882934894
Energy: 1.4291395871333732
Energy: 1.4085563588139796
Energy: 1.547117476177903
Energy: 1.7395956558100607
Energy: 1.109402796562497
Energy: 1.0965250538417248
Energy: 1.7202667067075956
Energy: 0.9507656883623816
Energy: 1.2586084501862844
Energy: 1.39170469241567
Energy: 1.4820873658565095
Energy: 1.353833589548414
Energy: 1.3935815625563037
Energy: 1.4762460947430358
Energy: 1.2864798633362688
Energy: 1.0369816404654928
Energy: 1.250424585068048
Energy: 1.0718209785953932
Energy: 1.0361085505591172
Energy: 1.1738576550475073
Energy: 1.0718823428165953
Energy: 1.0318331435246395
Energy: 1.2829777102759843
Energy: 1.187278951600337
Energy: 1.0284244762057217
Energy: 1.318920884155219
Energy: 1.1873594755432753
Energy: 1.0563791144020465
Energy: 1.0348489813748192
Energy: 1.0366204413962588
Energy: 1.052812788767917
Energy: 0.986151488546249
Energy: 1.0623924492712769
Energy: 1.7141491615596973
Energy: 1.30166783045993
Energy: 1.4556678945002264
Energy: 1.7156510969540053
Energy: 1.2925769901157602
Energy: 1.5768597090781595

minimum gb energy = 0.9507656883623816 eV
minimum distance =  2.50691241336583 Angstroms
sigma value = 33


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

Energy: 1.3759085949341063
Energy: 1.6594080064615313
Energy: 1.370635762485659
Energy: 1.3354344886708918
Energy: 1.7390078606426986
Energy: 1.6437599990182117
Energy: 1.4927500111079082
Energy: 1.0909622804558814
Energy: 1.0898194089474915
Energy: 1.6156725310362763
Energy: 1.0675539230419868
Energy: 1.2276770053675186
Energy: 1.1934754323763521
Energy: 1.1613152101506772
Energy: 1.161175948869161
Energy: 1.2210643035974185
Energy: 1.1966425784818953
Energy: 1.264926237325769
Energy: 1.2072033420304058
Energy: 1.2209420789880596
Energy: 1.1369593616956954
Energy: 1.2123166774793388
Energy: 1.146335355568712
Energy: 1.1919824373243442
Energy: 1.3199416791106267
Energy: 1.402675357311772
Energy: 1.2248802675039325
Energy: 1.3186044727003738
Energy: 1.476130127086694
Energy: 1.2399169280740505
Energy: 1.382229466236368
Energy: 1.5600696002635457
Energy: 1.3721153435270885
Energy: 1.316418869248565
Energy: 1.747385441530887
Energy: 1.2093681342638707
Energy: 1.4262740816341202
Energy: 1.2032579436826436
Energy: 1.3703124969250464
Energy: 1.2774136227393942
Energy: 1.2837417120169532
Energy: 1.3644643775237184
Energy: 1.376005301518378
Energy: 1.2749470133611605
Energy: 1.218186340512465
Energy: 1.3792717759124813
Energy: 1.2777134831331163
Energy: 1.329693860909856
Energy: 1.638626331552226
Energy: 1.1187218859045847
Energy: 1.1158993755788866
Energy: 1.6914275317346692
Energy: 1.1025942739866728
Energy: 1.1374869623628046
Energy: 1.7657981005321788
Energy: 1.2507418585173604
Energy: 1.2327225843102587
Energy: 1.5519231191131964
Energy: 1.2054840611483577
Energy: 1.2535268763086198
Energy: 1.5649974464429897
Energy: 1.3725530080850743
Energy: 1.4348169638635604
Energy: 1.1262437241236285
Energy: 1.2684527428675223
Energy: 1.414111180357033
Energy: 1.4349839713399917
Energy: 1.634465693182663
Energy: 1.4163381558911996
Energy: 1.4429020728524988
Energy: 1.3543926616953863
Energy: 1.4167633578999623
Energy: 1.3529038089658103
Energy: 1.6887581665276494
Energy: 1.5967961761753928
Energy: 1.376374855090658
Energy: 1.6889427552047775
Energy: 1.4191069712043785
Energy: 1.127313185127773
Energy: 1.1691162031590598
Energy: 1.2050918297849755
Energy: 1.136897222532503
Energy: 1.1509871178531295
Energy: 1.1608616389775368
Energy: 1.064013478567648
Energy: 1.2793697946438412
Energy: 1.2980892644745898
Energy: 1.1982232902196113
Energy: 1.2431527834387073
Energy: 1.3089572424579414
Energy: 1.0927276186737256
Energy: 1.192932409668886
Energy: 1.1942491977613932
Energy: 1.148897462004019
Energy: 1.3832773916129715
Energy: 1.2041711237038504
Energy: 1.7588206274213962
Energy: 1.7653816118102565
Energy: 1.32508654871897
Energy: 1.7605487607963617
Energy: 1.4553151122827048
Energy: 1.4779411840621457
Energy: 1.9144091239801444
Energy: 1.4019271286504797
Energy: 1.2901671947150812
Energy: 1.6815141083117962
Energy: 1.4149273986323052
Energy: 1.3366583540628403
Energy: 1.0884496602405693
Energy: 1.339034526469351
Energy: 1.2390280106318767
Energy: 1.119429102112412
Energy: 1.353231911056069
Energy: 1.2926888360108517
Energy: 1.1815981167879033
Energy: 1.2156702041488219
Energy: 1.180646159719234
Energy: 1.1889503272344957
Energy: 1.3533088029477005
Energy: 1.245727139152838
Energy: 1.104056366271718
Energy: 1.3252827265229818
Energy: 1.1229759360419937
Energy: 1.0938972911847562
Energy: 1.3061125075531892
Energy: 1.1135365994618265
Energy: 1.2691460129548486
Energy: 1.5726646815937748
Energy: 1.5487491080772668
Energy: 1.2748961597513981
Energy: 1.6565320773895673
Energy: 1.3454794107107158
Energy: 1.4585899029925358
Energy: 1.1754999872374825
Energy: 1.4236361446188446
Energy: 1.5224655326061365
Energy: 1.1504103847514675
Energy: 1.4189984227344732
Energy: 1.3348132495583067
Energy: 1.474285458972599
Energy: 1.3771547278892757
Energy: 2.10446695984343
Energy: 1.52329039199026
Energy: 1.580788117926705
Energy: 1.8863228338586029
Energy: 1.1539563075767634
Energy: 1.1669389980288
Energy: 1.4522812223281496
Energy: 1.128641399883521
Energy: 1.1690405896073666
Energy: 1.1904554496871145
Energy: 1.150612578213477
Energy: 1.154191192328051
Energy: 1.2016103387973425
Energy: 1.1502217399382177
Energy: 1.2237917269589502
Energy: 1.198018556761402
Energy: 1.2184108979792065
Energy: 1.127602442047782
Energy: 1.1994441915735863
Energy: 1.1365066701376432
Energy: 1.1785433860248435
Energy: 1.33597189892813
Energy: 1.374038918729511
Energy: 1.2131336698847968
Energy: 1.3160108792724008
Energy: 1.5234916889254346
Energy: 1.2133362075627652
Energy: 1.8383674226287499
Energy: 1.670211412235504
Energy: 1.4038685759434169
Energy: 1.8279647578774578
Energy: 1.7624538711539561
Energy: 1.2484674845154882
Energy: 1.6359487230206775
Energy: 1.3186849395478126
Energy: 1.353747183907378
Energy: 1.3910489429336343
Energy: 1.251942310102732
Energy: 1.3657332067255583
Energy: 1.3764158137291862
Energy: 1.2593362445102576
Energy: 1.1548927820351615
Energy: 1.3796588623631674
Energy: 1.2899946396693338
Energy: 1.1816394633350118
Energy: 1.7181672158494914
Energy: 1.121856969385448
Energy: 1.118819496787064
Energy: 1.2993569060987014
Energy: 1.1177977121318714
Energy: 1.179185508347164
Energy: 1.5625910413120472
Energy: 1.2049523547979173
Energy: 1.2314702946721983
Energy: 1.5021162137210762
Energy: 1.1953227136005815
Energy: 1.2310737222521377
Energy: 1.646555069628368
Energy: 1.302514878639596
Energy: 1.4427403203622104
Energy: 1.5827092347672351
Energy: 1.2540349511684776
Energy: 1.417958357844024
Energy: 1.523179113377159
Energy: 1.0239030843917087
Energy: 1.3805500028974804
Energy: 1.3990032296451334
Energy: 1.0237443226378466
Energy: 1.3897248183350601
Energy: 1.4003804971925622
Energy: 1.6898633552462543
Energy: 1.292654611996872
Energy: 1.3990594671187133
Energy: 1.70442016464556
Energy: 1.4233605716889535
Energy: 1.1257243709361324
Energy: 1.225991856605243
Energy: 1.2185184753768152
Energy: 1.1275579848507302
Energy: 1.1508375037455534
Energy: 1.1670922140851203
Energy: 1.079567959967259
Energy: 1.2961209623953387
Energy: 1.2956674308364746
Energy: 1.081841123660103
Energy: 1.2585939676581086
Energy: 1.3672312370760291
Energy: 1.0879012032132764
Energy: 1.241954371265469
Energy: 1.1960859832320945
Energy: 1.1541668546122672
Energy: 1.2344301435542324
Energy: 1.1972443398867865
Energy: 1.7423764528257908
Energy: 1.3832223121507978
Energy: 1.3831226542636947
Energy: 1.7450528995098684
Energy: 1.3867667923981264
Energy: 1.4052103373358975
Energy: 1.7451710022815605
Energy: 1.3999903880570377
Energy: 1.300683410671028
Energy: 1.5497540882049976
Energy: 1.3809709289963645
Energy: 1.2435666031528245
Energy: 1.101352416368075
Energy: 1.2704653357761957
Energy: 1.1826373688718657
Energy: 1.1082732179437964
Energy: 1.3554187368688246
Energy: 1.348219290414453
Energy: 1.2724841006128909
Energy: 1.3769501859720028
Energy: 1.2553796675452167
Energy: 1.2532731460983342
Energy: 1.3712171213035984
Energy: 1.1720771775528807
Energy: 1.0868354013837114
Energy: 1.1644721451011555
Energy: 1.132854768911857
Energy: 1.0990135079216574
Energy: 1.2170033854843745
Energy: 1.1368055033236417
Energy: 1.2679484027180588
Energy: 1.670143867714584
Energy: 1.4299255216828115
Energy: 1.284080116709567
Energy: 1.6678434841123786
Energy: 1.3007347744471014
Energy: 1.465055768361976
Energy: 1.1611362568267671
Energy: 1.2852319971013713
Energy: 1.4436922013885776
Energy: 1.0622881132083661
Energy: 1.4216289812155296
Energy: 2.1463507785591336
Energy: 1.3682040726833506
Energy: 1.3526627742848683
Energy: 1.867416159235195
Energy: 1.3718951489963112
Energy: 1.3275197556328175

minimum gb energy = 1.0237443226378466 eV
minimum distance =  2.57456226451015 Angstroms
sigma value = 67


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

Energy: 1.5409995631661244
Energy: 1.4718040315350964
Energy: 1.1357267608320094
Energy: 1.5460096581775153
Energy: 1.4720717592630177
Energy: 1.5282163509023916
Energy: 1.1904902751046889
Energy: 0.9762025464754376
Energy: 1.0315861335564787
Energy: 1.1836048977372584
Energy: 0.986385832850154
Energy: 0.884015573773652
Energy: 1.2597685536610521
Energy: 0.9537793328958784
Energy: 1.1191219988746057
Energy: 1.2613486693720493
Energy: 0.9536764392190474
Energy: 1.3946551842257504
Energy: 1.2742894914130125
Energy: 1.120186930941353
Energy: 1.2497939850347677
Energy: 1.2328784017635461
Energy: 1.0884686950473172
Energy: 1.1208024709773787
Energy: 1.290517745252173
Energy: 1.2528495285580343
Energy: 1.249404976198986
Energy: 1.3079960752154765
Energy: 1.0296201339644258
Energy: 1.1218239583083827
Energy: 1.307005705587318
Energy: 1.2543728580246036
Energy: 1.459900098110285
Energy: 1.3076899569352478
Energy: 1.18067853368729
Energy: 1.4595976693292314
Energy: 1.4885452485801183
Energy: 1.2225629191888872
Energy: 1.2512608878129763
Energy: 1.4907809961379388
Energy: 1.0689524707015596
Energy: 1.0317537682188487

minimum gb energy = 0.884015573773652 eV
minimum distance =  2.59546066208971 Angstroms
sigma value = 3


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

Energy: 1.916781846789512
Energy: 1.756886408494661
Energy: 1.304644403124002
Energy: 1.9451993456577743
Energy: 1.7546780590043027
Energy: 1.5202229331242725
Energy: 1.4583604986833167
Energy: 1.365098168958407
Energy: 1.3605405146363272
Energy: 1.2237357613669084
Energy: 1.3609529334613066
Energy: 1.3950143902762004
Energy: 1.397454105105631
Energy: 1.4592996945576466
Energy: 1.4674313868073587
Energy: 1.3343177167808729
Energy: 1.5704897625853818
Energy: 1.5508439572445045
Energy: 0.9800431368706356
Energy: 1.5046324998542668
Energy: 1.3079183867465325
Energy: 0.9856974333597143
Energy: 1.5202899469296132
Energy: 1.0356058810593343
Energy: 0.9831131943784522
Energy: 1.3879568735439827
Energy: 1.3144546403148079
Energy: 1.0044988249447246
Energy: 1.3891804839687596
Energy: 1.1473030399440236
Energy: 1.3436167736707176
Energy: 1.4136006584864693
Energy: 1.4031287124381322
Energy: 1.2771028444565269
Energy: 1.4693646652906929
Energy: 1.4434239328202734
Energy: 1.5059621664330707
Energy: 1.2651560262399466
Energy: 1.2326751829861913
Energy: 1.059479872185365
Energy: 1.2621477720706067
Energy: 1.302915702722793
Energy: 1.8018440152165882
Energy: 1.6759982732274379
Energy: 1.3522565320525906
Energy: 1.8165977299812857
Energy: 1.5619781663588928
Energy: 1.5109431896619872
Energy: 1.439130471432902
Energy: 1.3995469906769105
Energy: 1.5314421944530254
Energy: 1.0593341733774215
Energy: 1.5216346395398879
Energy: 1.5348211653618857
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Energy: 1.4887494849358944
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Energy: 1.4347269823808768
Energy: 1.2917075603783326
Energy: 1.225236692387668
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Energy: 1.2184999171380457
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Energy: 1.3683962552934086
Energy: 1.4082689718355716
Energy: 1.4361607715290114
Energy: 1.2926795678791958
Energy: 1.3960726083883472
Energy: 1.4231310799372232
Energy: 1.1779890818244925
Energy: 1.21008735428352
Energy: 1.4249503630018905
Energy: 1.1266585125596087
Energy: 1.3669620594013125
Energy: 1.6066188149679816
Energy: 0.9795736290882407
Energy: 1.0385911012736462
Energy: 1.492567675891951
Energy: 0.9751721009247422
Energy: 1.0294674269086737
Energy: 1.5650049292387878
Energy: 1.4085286673836523
Energy: 1.500965647876472
Energy: 1.5678656810220886
Energy: 1.122907215634002
Energy: 1.5164830151265778
Energy: 1.540953021408026
Energy: 1.1657181823739036
Energy: 1.4876094186748312
Energy: 1.418993162418869
Energy: 1.3012932566161808
Energy: 1.5286382429209056
Energy: 1.5722959516749069
Energy: 1.6618836352282076
Energy: 1.518835860175225
Energy: 1.5468177355389992
Energy: 1.9411931533523692
Energy: 1.6218478849710065
Energy: 1.4320844135332464
Energy: 1.423102420001401
Energy: 1.084609164983649
Energy: 1.4955798630077424
Energy: 1.1929605624032211
Energy: 1.400501997697653
Energy: 1.976401847760558
Energy: 1.5256424576485381
Energy: 1.541533643372014
Energy: 1.7505108402320715
Energy: 1.4389175147340032
Energy: 1.4820322768858973
Energy: 1.829601871489567
Energy: 1.0745591202562152
Energy: 1.060297915495576
Energy: 1.6523447983675905
Energy: 1.0700158540203848
Energy: 1.3267797194472128
Energy: 1.4908118722216188
Energy: 1.09002084603009
Energy: 1.1761672563908645
Energy: 1.32340341013605
Energy: 1.178994131301394
Energy: 1.1799515582934184
Energy: 1.3484876404078372
Energy: 1.4664664445650228
Energy: 1.4986699217687784
Energy: 1.3497742612479429
Energy: 1.3849890239655573
Energy: 1.4759483867980563
Energy: 1.086560767685982
Energy: 1.2092938701217457
Energy: 1.1464080972902313
Energy: 1.0614825805939643
Energy: 1.1504718846723705
Energy: 1.1549890493279036
Energy: 1.1720135284164275
Energy: 1.5651759491495225
Energy: 1.5571823583969773
Energy: 1.172092200964931
Energy: 1.7282992299447417
Energy: 1.467785970930437
Energy: 1.5133821630401527
Energy: 1.4936432556379013
Energy: 1.5485411813119927
Energy: 1.5462565543786815
Energy: 1.4945569816245197
Energy: 1.5402247323502396
Energy: 2.0346165521181097
Energy: 1.4624930709623698
Energy: 1.481543981362507
Energy: 1.5176629708553075
Energy: 1.5283909633653823
Energy: 1.4388863291726879
Energy: 1.820405510791236
Energy: 1.3978965345660332
Energy: 1.4749430037807
Energy: 1.6584768640369483
Energy: 1.3851149145653068
Energy: 1.4374405524361888
Energy: 1.4750759379043104
Energy: 1.511060013453828
Energy: 1.474893036491419
Energy: 1.4744036281515762
Energy: 1.5595688409320954
Energy: 1.4758301835787628
Energy: 1.1070060429116968
Energy: 1.4633067361561536
Energy: 1.5385772582427395
Energy: 1.107973565118513
Energy: 1.5926021023541417
Energy: 1.4130295849038723
Energy: 0.9726264452422229
Energy: 1.3180806974759913
Energy: 1.0341420968447461
Energy: 0.9748904218182983
Energy: 1.3610043971610697
Energy: 1.0463428235006385
Energy: 1.2060790792052516
Energy: 1.5465029321843524
Energy: 1.5545693402957328
Energy: 1.207348156711859
Energy: 1.5671377362073413
Energy: 1.4837066708603721
Energy: 1.4090457697370027
Energy: 1.316676778756833
Energy: 1.31989434118253
Energy: 1.0628216391697596
Energy: 1.2796136537487721
Energy: 1.3312050363605772
Energy: 1.8822224448848315
Energy: 1.2676856090798128
Energy: 1.2655393558597041
Energy: 1.7240605195952123
Energy: 1.2792468159666808
Energy: 1.5257853560599535
Energy: 1.7250108440832599
Energy: 1.5136744956009969
Energy: 1.5500468166677432
Energy: 1.619117861154869
Energy: 1.4907431842242453
Energy: 1.5116094916099283
Energy: 1.5147034088534221
Energy: 1.4106083788207637
Energy: 1.455423483298415
Energy: 1.5157766282955811
Energy: 1.3991126732058758
Energy: 1.5040194651947887
Energy: 1.3295964847331294
Energy: 1.6145273534017108
Energy: 1.5428686622093646
Energy: 1.3308525785472722
Energy: 1.750514699478186
Energy: 1.3416089213487885
Energy: 1.325531333315572
Energy: 1.2867844406426983
Energy: 1.3242988232915203
Energy: 1.2748057095903478
Energy: 1.1113692691510901
Energy: 1.3062820908258483
Energy: 1.455809173561379
Energy: 1.2125220677541684
Energy: 1.4558736005723778
Energy: 1.4587282454211468
Energy: 1.2151855555537692
Energy: 1.5377956716654335
Energy: 1.5482276729954867
Energy: 0.9803248380326444
Energy: 1.0490954174549694
Energy: 1.549914965104365
Energy: 0.974582216716092
Energy: 1.1383654730062025
Energy: 1.5858110430126784
Energy: 1.1227469598616402
Energy: 1.1176718150166778
Energy: 1.56730577129857
Energy: 1.1339212646727674
Energy: 1.4245120668162936
Energy: 1.6756652250963762
Energy: 1.4615505944695155
Energy: 1.5071372841071178
Energy: 1.6705344194892706
Energy: 1.3368189975605629
Energy: 1.4951485312803448
Energy: 1.5568566228282188
Energy: 1.5121855331774747
Energy: 1.4443109498159727
Energy: 1.3516415260757375
Energy: 1.9345957154896554
Energy: 1.3692832241776975
Energy: 1.6308078875926337
Energy: 1.650858269385636
Energy: 1.5179828777688213
Energy: 1.6297665728686763
Energy: 1.744828582919236
Energy: 1.6372427784411465
Energy: 1.6173761009807888
Energy: 1.5764655713954834
Energy: 1.540559346499996
Energy: 1.2973290624243086
Energy: 1.5072893218310206
Energy: 1.5440577453755029
Energy: 1.683599743417508
Energy: 1.241417603670504
Energy: 1.3147901732228113
Energy: 1.6863144812634097
Energy: 1.2413674209489727
Energy: 1.4217622825389533
Energy: 1.3099795322058718
Energy: 1.0645981700974674
Energy: 1.0724444267678697
Energy: 1.2973002946535077
Energy: 1.061938574613322
Energy: 1.0846058094293585
Energy: 1.3944854215449516
Energy: 1.3146059141354922
Energy: 1.364945969545816
Energy: 1.3966501076417777
Energy: 1.3162827190260966
Energy: 1.4453506461581742
Energy: 1.2415708283877167
Energy: 1.3495177185544862
Energy: 1.3394907714285929
Energy: 1.1380940161842705
Energy: 1.3196015813205633
Energy: 1.2510838610718629
Energy: 1.116810623323132
Energy: 1.579804050805834
Energy: 1.3270912226384046
Energy: 1.1184192392061287
Energy: 1.586389170561595
Energy: 1.0599620043007334
Energy: 1.603612039470887
Energy: 1.503943313436201
Energy: 1.43515726837405
Energy: 1.4601453873883545
Energy: 1.6181733998685515
Energy: 1.6288133294678495
Energy: 1.5843290276475304
Energy: 1.470345296328185
Energy: 1.3743099394456673
Energy: 1.0644793056390052
Energy: 1.4381373353104807
Energy: 1.4328406872306785

minimum gb energy = 0.9726264452422229 eV
minimum distance =  2.54978549435231 Angstroms
sigma value = 81


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

Energy: 2.125783624451845
Energy: 1.5357275268416588
Energy: 1.2156113006201577
Energy: 2.1302709074561474
Energy: 1.536344646183835
Energy: 1.698974357567019
Energy: 1.6687321384725067
Energy: 1.232442890696478
Energy: 1.2310292810135435
Energy: 1.2868922498192739
Energy: 1.2388999178294102
Energy: 1.300106857348952
Energy: 1.4718283217478796
Energy: 1.4423832767720974
Energy: 1.4127217584005398
Energy: 1.4257587213512595
Energy: 1.4532107060330335
Energy: 1.5492567465711338
Energy: 1.1904544434817088
Energy: 1.1885970479479258
Energy: 1.145744240703209
Energy: 1.0484958165411058
Energy: 1.374867558071234
Energy: 1.0484033796720063
Energy: 1.1765005315314614
Energy: 1.53233828896892
Energy: 1.5036399263255993
Energy: 1.1434206861171565
Energy: 1.590152207656538
Energy: 1.1260525359513638
Energy: 1.5259257188935476
Energy: 1.449322663160762
Energy: 1.448130010092514
Energy: 1.4905664432240806
Energy: 1.4478846600214526
Energy: 1.4788662162078965
Energy: 1.4680997314816293
Energy: 1.0643639598041672
Energy: 1.0636297431008666
Energy: 1.3957590946781453
Energy: 1.0642568335482008
Energy: 1.3379942579267436
Energy: 1.8367783110982625
Energy: 1.6734054456841296
Energy: 1.7737726468934183
Energy: 1.8381556392067053
Energy: 1.6705448250568231
Energy: 1.1779726372708508
Energy: 1.491925855921578
Energy: 1.213826202717279
Energy: 1.46607756017661
Energy: 1.493401186257798
Energy: 1.2165782015113742
Energy: 1.5223871984286788
Energy: 1.4462873049615232
Energy: 1.550377120106995
Energy: 1.549228918314767
Energy: 1.4273681534711957
Energy: 1.5494813500831859
Energy: 1.418583054634414
Energy: 1.1677232790731926
Energy: 1.5264626117398092
Energy: 1.2014148836122327
Energy: 1.169323413057522
Energy: 1.7261724601862232
Energy: 1.2011377730103587
Energy: 1.480819263270127
Energy: 1.2614119386110179
Energy: 1.2609016315506383
Energy: 1.4411071555943986
Energy: 1.351748563862662
Energy: 1.3465965125911863
Energy: 1.4506123186685587
Energy: 1.2810997599637233
Energy: 1.2339524224723328
Energy: 1.452101716094701
Energy: 1.3222861800771235
Energy: 1.23184867769599
Energy: 1.635066241263668
Energy: 1.1442226844592531
Energy: 1.138599377419934
Energy: 1.6359737573065425
Energy: 1.1534522140286647
Energy: 1.1356802983998437
Energy: 1.7329157772360806
Energy: 1.433757820906095
Energy: 1.5137538738275411
Energy: 1.735358407043064
Energy: 1.5101725375693127
Energy: 1.5029162307027695
Energy: 1.4708988870913813
Energy: 1.28537682520705
Energy: 1.3899991209651579
Energy: 1.4737796946416264
Energy: 1.2794804776996405
Energy: 1.390499814324809
Energy: 1.7195750668043004
Energy: 1.7095655794253937
Energy: 1.3303668482883255
Energy: 1.7210057776094694
Energy: 1.8393276934546245
Energy: 1.156253058620412
Energy: 1.0907866072505283
Energy: 0.9422876893623493
Energy: 1.2065425268672323
Energy: 0.9953173289441096
Energy: 1.2419573581248107
Energy: 1.0793450703707113
Energy: 1.6500152905462704
Energy: 1.2683583542367263
Energy: 1.3791873557922258
Energy: 1.6515085481586542
Energy: 1.2728381578018302
Energy: 1.3623197527721782
Energy: 1.6434468121940309
Energy: 1.0596715950533242
Energy: 1.0999698643732776
Energy: 1.6447361444940782
Energy: 1.0634657629600748
Energy: 1.0866488121365279
Energy: 1.240377962447844
Energy: 0.9410983036109524
Energy: 0.9415822824303085
Energy: 1.1248732392131469
Energy: 1.0990892035658573
Energy: 1.0869046933350173
Energy: 1.4448397209912685
Energy: 1.560896247033904
Energy: 1.4449183863000108
Energy: 1.444917189035727
Energy: 1.4947692339496508
Energy: 1.378856640028622
Energy: 1.1229746877837816
Energy: 1.1346669398370364
Energy: 1.123368926557778
Energy: 1.0797836395241913
Energy: 1.1097780417450844
Energy: 1.1232759295808283
Energy: 1.2305599009619046
Energy: 1.5028795247404316
Energy: 1.5024355889278345
Energy: 1.2305402915117087
Energy: 1.5756323552858005
Energy: 1.1772024765162588
Energy: 1.5037670687462055
Energy: 1.1243874344191598
Energy: 1.3942831508448645
Energy: 1.4989012941453816
Energy: 1.4735296565610294
Energy: 1.3670015446136652
Energy: 1.8385571318748648
Energy: 1.3815009464522232
Energy: 1.3698782210440843
Energy: 1.8392473087130947
Energy: 1.3814123128722202
Energy: 1.417727093988837
Energy: 1.6238623255618767
Energy: 1.4668914568835045
Energy: 1.4065986533207862
Energy: 1.6828496697060629
Energy: 1.7152263683670481
Energy: 1.4536026528016748
Energy: 1.3782647674715516
Energy: 1.5174954758889883
Energy: 1.4941547851280026
Energy: 1.3801302442896028
Energy: 1.680340386439829
Energy: 1.473444438512356
Energy: 1.2133096349811354
Energy: 1.5490471907723968
Energy: 1.5494889591594705
Energy: 1.2133576624627933
Energy: 1.5585437853132653
Energy: 1.2319679902390244
Energy: 1.2355505044880595
Energy: 1.335148755131408
Energy: 1.2266831613666067
Energy: 1.2290801927918302
Energy: 1.142516129747428
Energy: 1.2483058797574949
Energy: 1.4851212902495017
Energy: 1.4086650947889283
Energy: 1.5220409692161878
Energy: 1.4871063939455063
Energy: 1.4616115815816004
Energy: 1.3846435339667862
Energy: 1.2670302020574573
Energy: 1.0486228323720037
Energy: 1.048316850552234
Energy: 1.1545394966457683
Energy: 1.0488673743833095
Energy: 1.0482491969758998
Energy: 1.8701524016605604
Energy: 1.1658079266208132
Energy: 1.1666125133400234
Energy: 1.5557649571419374
Energy: 1.1683406522356259
Energy: 1.4804671845887527
Energy: 1.480752237715513
Energy: 1.4522710615871892
Energy: 1.5799436977868164
Energy: 1.4944087158972872
Energy: 1.5062620000147178
Energy: 1.4287188211887456
Energy: 1.0457003792423425
Energy: 1.2399437460313525
Energy: 1.338189550553627
Energy: 1.045078082257479
Energy: 1.622128948073601
Energy: 1.0447484312148807
Energy: 1.5864434539713308
Energy: 1.5886391490080836
Energy: 1.2064921012149095
Energy: 1.4855649012116297
Energy: 1.8353139979477864
Energy: 1.5675972185348106
Energy: 1.7037415359249306
Energy: 1.5032988312801392
Energy: 1.5003636260332096
Energy: 1.6539564175187393
Energy: 1.451846137104428
Energy: 1.5401241547163629
Energy: 2.125540897534708
Energy: 1.3006116499879663
Energy: 1.2283649930003262
Energy: 2.1304292339584228
Energy: 1.3023876421842113
Energy: 1.5962207803947541

minimum gb energy = 0.9410983036109524 eV
minimum distance =  2.53792811402193 Angstroms
sigma value = 43


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

Energy: 2.0690547608266128
Energy: 1.639090579453342
Energy: 1.3225817196897376
Energy: 2.0706805855543364
Energy: 1.783270298059828
Energy: 1.2171782308041466
Energy: 1.589633761829737
Energy: 1.1280699846785933
Energy: 1.1285912141926862
Energy: 1.416108848268338
Energy: 1.4383021301860266
Energy: 1.24461471509584
Energy: 1.486034500397737
Energy: 1.486744392918077
Energy: 1.4407235976564943
Energy: 1.3968673449855364
Energy: 1.534817484191899
Energy: 1.4724588368932454
Energy: 0.9981353338851933
Energy: 1.4684264374996026
Energy: 1.0878650521639341
Energy: 0.9994306295954618
Energy: 1.4528105030103193
Energy: 0.9969520250554106
Energy: 1.0527664597482065
Energy: 1.3223104161091963
Energy: 1.2412511496838927
Energy: 1.0582649153114856
Energy: 1.321554774695773
Energy: 1.1059132065712347
Energy: 1.4601041346683905
Energy: 1.287703312653673
Energy: 1.1564618097770858
Energy: 1.4240264842296317
Energy: 1.2992932982468222
Energy: 1.3154753524633471
Energy: 1.453772578859494
Energy: 0.9974076855054407
Energy: 0.9976205452673463
Energy: 1.3611990346053826
Energy: 1.0061206377322898
Energy: 0.9981136063162749
Energy: 1.725077637452874
Energy: 1.0777664704188143
Energy: 1.4624508158813645
Energy: 1.7277778948084863
Energy: 1.0782800733535363
Energy: 1.4860538654395898
Energy: 1.4335442956878959
Energy: 1.2392639852901168
Energy: 1.3322640737772757
Energy: 1.4354025528527086
Energy: 1.4730680713196875
Energy: 1.5023135895343627
Energy: 1.5471738711055225
Energy: 1.613781338730807
Energy: 1.5325256800450031
Energy: 1.5451287275304757
Energy: 1.6137972032411063
Energy: 1.3322957428527444
Energy: 1.3718043335475545
Energy: 1.4069163658019064
Energy: 1.6106797190988544
Energy: 1.377028819148045
Energy: 1.5648485780302948
Energy: 1.3142600898575496
Energy: 1.4787304554352014
Energy: 1.4088482122519395
Energy: 1.5030553384133676
Energy: 1.6096061431340023
Energy: 1.4503333143801393
Energy: 1.5032848303025153
Energy: 1.9159977060457354
Energy: 1.11502649145338
Energy: 1.0917317641560007
Energy: 1.5434883277681868
Energy: 1.11531832700687
Energy: 1.4397180911564438
Energy: 1.5940915712750054
Energy: 1.1911013894977818
Energy: 1.216051093083133
Energy: 1.2314270616452716
Energy: 1.150346165569367
Energy: 1.2478542219846487
Energy: 1.2496187070359797
Energy: 1.4832474319284712
Energy: 1.5045124812084685
Energy: 1.249748639228761
Energy: 1.4456869107656765
Energy: 1.498485640169792
Energy: 0.9587384707393348
Energy: 1.3098891230848657
Energy: 1.055322727029169
Energy: 0.9611326719122233
Energy: 1.3890686660669296
Energy: 0.9572228164959627
Energy: 1.1351984272988032
Energy: 1.3886440304166485
Energy: 1.3882023131102832
Energy: 1.1352573307460212
Energy: 1.461626315160347
Energy: 1.3569064293127242
Energy: 1.4841409048223295
Energy: 1.4080591262115238
Energy: 1.3825834131940828
Energy: 1.3731837301931102
Energy: 1.3465940358481754
Energy: 1.3843586074904806
Energy: 1.7259922145988662
Energy: 1.3402429420857984
Energy: 1.3324005788037423
Energy: 1.601326333861252
Energy: 1.3364688223532015
Energy: 1.260256723501976
Energy: 1.6497456150391463
Energy: 1.4526736048207107
Energy: 1.5598139465215826
Energy: 1.5975657860349632
Energy: 1.4774248250311832
Energy: 1.4452448539204232
Energy: 1.4262503146300296
Energy: 1.2625682946534755
Energy: 1.4030920538832723
Energy: 1.4282512085620198
Energy: 1.416562437269064
Energy: 1.1683489234610789
Energy: 1.3548113772874706
Energy: 1.5319256200320366
Energy: 1.4710526460486226
Energy: 1.3544869562055364
Energy: 1.8820910588603512
Energy: 1.2125422448673164
Energy: 1.2217967146410504
Energy: 1.1960674500289008
Energy: 1.1701125861777646
Energy: 1.2183659408945988
Energy: 1.3227477633865448
Energy: 1.410596505878803
Energy: 1.5900993272228727
Energy: 1.40065191199703
Energy: 1.462028998140339
Energy: 1.4636215772196661
Energy: 1.3921757447714935
Energy: 1.4272506958973987
Energy: 1.36225749737797
Energy: 0.9573309494419434
Energy: 0.9639083632336035
Energy: 1.3451059226967097
Energy: 0.9573960292669106
Energy: 1.005249479846373
Energy: 1.5625322655314466
Energy: 1.020891582688424
Energy: 1.0947380537596139
Energy: 1.3857812158216996
Energy: 1.0204571423227131
Energy: 1.2099709022178222
Energy: 1.3915107667501827
Energy: 1.2783023467190657
Energy: 1.378737196820338
Energy: 1.3659450292528075
Energy: 1.328337946586722
Energy: 1.3591964219932051
Energy: 1.1089443845545612
Energy: 1.3173917582696948
Energy: 1.203098860565704
Energy: 1.110345478460343
Energy: 1.217804993538489
Energy: 1.1049965716154433
Energy: 1.4285672177912372
Energy: 1.5278707315912254
Energy: 1.4058933113092718
Energy: 1.4302644971530605
Energy: 1.7518844975744547
Energy: 1.421060772305584
Energy: 1.3981931348564975
Energy: 1.128822868561179
Energy: 1.3520304162941572
Energy: 1.3731315902282268
Energy: 1.1774338368450363
Energy: 1.4179779155775256
Energy: 2.0723572282998117
Energy: 1.650745195434085
Energy: 1.4321674064612893
Energy: 1.5518859313214146
Energy: 1.603870611306355
Energy: 1.587153530977512

minimum gb energy = 0.9572228164959627 eV
minimum distance =  2.54266609616127 Angstroms
sigma value = 57


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

Energy: 1.588866610276522
Energy: 1.5723253879295662
Energy: 1.0864277750648585
Energy: 1.5914071852335616
Energy: 1.5744660055461788
Energy: 1.6738229109088825
Energy: 1.4957645582899777
Energy: 1.0946504060831916
Energy: 1.1698915721690961
Energy: 1.3184280207838308
Energy: 1.0945672225914276
Energy: 1.165064630347863
Energy: 1.3607272038599603
Energy: 1.301514379295257
Energy: 1.3083428156023116
Energy: 1.3610765222509176
Energy: 1.3989500682021856
Energy: 1.397835946318
Energy: 0.9971772225668787
Energy: 1.3221840031608054
Energy: 1.3087553239436478
Energy: 0.998696155487607
Energy: 1.3567259816302655
Energy: 0.9957820221099499
Energy: 1.1186686350347785
Energy: 1.30781180434677
Energy: 1.2999711904403923
Energy: 1.1185713472152115
Energy: 1.2746095848870644
Energy: 1.0928013815639976
Energy: 1.4138906376794906
Energy: 1.2239256053693104
Energy: 1.2240615548615144
Energy: 1.3481867748599672
Energy: 1.0204213500408346
Energy: 1.2234456906548272
Energy: 1.4075011384250296
Energy: 1.0165341341674552
Energy: 1.0178266446912894
Energy: 1.4088824161214533
Energy: 1.0209068038726141
Energy: 1.017481826251893
Energy: 1.5888740136784019
Energy: 1.4342611626835207
Energy: 1.4438249962827858
Energy: 1.4237571213564941
Energy: 1.3253224620278512
Energy: 1.3643641318528388
Energy: 1.4125177156432152
Energy: 1.1653647462237604
Energy: 1.165917881125115
Energy: 1.4076511272688725
Energy: 1.3015556558554813
Energy: 1.3423306046079069
Energy: 1.3528849963578293
Energy: 1.4484750727594962
Energy: 1.450984041863641
Energy: 1.3528613918675736
Energy: 1.4485311606768934
Energy: 1.373482128143623
Energy: 1.3471538821028566
Energy: 1.1807722582758085
Energy: 1.3362592549837542
Energy: 1.2244478402193435
Energy: 1.3188798373213417
Energy: 1.2818796682375198
Energy: 1.478420028047721
Energy: 1.3342543224499848
Energy: 1.3467089008075872
Energy: 1.4804340254956094
Energy: 1.2614115214301904
Energy: 1.2757879985114553
Energy: 1.4837335885735274
Energy: 1.162309501702885
Energy: 1.2707982140069005
Energy: 1.6168370897545148
Energy: 1.155527877131734
Energy: 1.2708197021757779
Energy: 1.527865561690387
Energy: 1.0934095954191483
Energy: 1.1656552190820988
Energy: 1.2959032349739108
Energy: 1.0953331944190023
Energy: 1.207596939049426
Energy: 1.2856429799261857
Energy: 1.3610592717966778
Energy: 1.3591955991940972
Energy: 1.3834463657929092
Energy: 1.5955741345200132
Energy: 1.4014370940537364
Energy: 1.0161659515438266
Energy: 1.2153404977501194
Energy: 1.048463536038228
Energy: 1.0181658478639566
Energy: 1.184330005307451
Energy: 1.0121980423831922
Energy: 1.2907214413646622
Energy: 1.3059847993270775
Energy: 1.3058665226763533
Energy: 1.2610362579927892
Energy: 1.4998590857936178
Energy: 1.2992019134481925
Energy: 1.2985057366731434
Energy: 1.0178363916884205
Energy: 1.2579151313445782
Energy: 1.2868943265448975
Energy: 1.0816430390171907
Energy: 1.226603147724604
Energy: 1.4160618659676973
Energy: 0.9954441410924438
Energy: 0.9994862175312225
Energy: 1.407251761565921
Energy: 0.9996229097088821
Energy: 1.1383263337267795
Energy: 1.4083272306427106
Energy: 1.3464104973077122
Energy: 1.3639352399794147
Energy: 1.4075830273657883
Energy: 1.4004033112363896
Energy: 1.364779615994118
Energy: 1.2183744877510345
Energy: 1.166865117488994
Energy: 1.1660659311468826
Energy: 1.0942406743214006
Energy: 1.2683342333951384
Energy: 1.0964668803613866
Energy: 1.5436425115779369
Energy: 1.4536745571222411
Energy: 1.4539797185455103
Energy: 1.5453989494450309
Energy: 1.881489735531836
Energy: 1.272482314179294
Energy: 1.3478188725029627
Energy: 1.093102652899272
Energy: 1.1655866685538852
Energy: 1.4487013012514178
Energy: 1.2975065326919268
Energy: 1.0926494343128614
Energy: 1.4841198891549443
Energy: 1.4021366839918092
Energy: 1.3126483704939156
Energy: 1.5453414460627286
Energy: 1.3365214031803194
Energy: 1.4548951406570125

minimum gb energy = 0.9954441410924438 eV
minimum distance =  2.54274544666909 Angstroms
sigma value = 17


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

Energy: 1.8190853331564338
Energy: 1.58006624013615
Energy: 1.2716687407535496
Energy: 1.8217176088271034
Energy: 1.5907931884209374
Energy: 1.2868789964876362
Energy: 1.4163451814966599
Energy: 1.2905002420600657
Energy: 1.3021419056617018
Energy: 1.2762742039478436
Energy: 1.2293509376809681
Energy: 1.2532359634071073
Energy: 1.388101125242973
Energy: 1.2645961935079901
Energy: 1.264245723914329
Energy: 1.390260866062305
Energy: 1.2674165611954515
Energy: 1.2641045098029662
Energy: 1.1031688139995914
Energy: 1.2647408353448906
Energy: 1.2644988183397763
Energy: 1.103663023846706
Energy: 1.3722884423948465
Energy: 1.1619421891719213
Energy: 1.1380569062223225
Energy: 1.266376534907244
Energy: 1.2365845551046315
Energy: 1.1384881087029513
Energy: 1.129592456348616
Energy: 1.2297665482428102
Energy: 1.5713490916319097
Energy: 0.9487194252750001
Energy: 1.0761903157489703
Energy: 1.5734188228837889
Energy: 0.963208737925334
Energy: 1.2398698765853717
Energy: 1.3661969433193213
Energy: 0.9443995457297727
Energy: 0.9443944768330576
Energy: 1.2661887948993997
Energy: 0.9505365712153223
Energy: 1.058298775500103
Energy: 1.4964450498014503
Energy: 1.335125263665141
Energy: 1.3009201319063863
Energy: 1.4988883261672334
Energy: 1.336048439034399
Energy: 1.197652171669795
Energy: 0.948355315750514
Energy: 1.2694450190529698
Energy: 1.2012162808855193
Energy: 0.9504428576269668
Energy: 1.266530598169489
Energy: 0.9459384829475252
Energy: 0.9628460489335547
Energy: 1.2477933160832435
Energy: 1.2479613793292206
Energy: 0.9629185035054484
Energy: 1.2484053341063819
Energy: 1.2161459908033427
Energy: 1.5779318718884616
Energy: 1.2904455305488107
Energy: 1.2220805810987407
Energy: 1.3146639767478547
Energy: 1.2277189590203437
Energy: 1.222766086606537
Energy: 1.395640824554324
Energy: 1.0993851312712852
Energy: 1.0992933282371027
Energy: 1.3967049113775791
Energy: 1.106571934433987
Energy: 1.1001069693380512
Energy: 1.4451670016092242
Energy: 1.3621116470996684
Energy: 1.3591163324471396
Energy: 1.447502141295543
Energy: 1.4261305140006935
Energy: 1.4104611839871954
Energy: 1.3594878135957686
Energy: 1.2663379409830637
Energy: 1.2309407012981632
Energy: 1.359386599023559
Energy: 1.3552775642099544
Energy: 1.3103060135140754
Energy: 1.47737124220301
Energy: 1.3710445881617448
Energy: 1.4194851828779558
Energy: 1.478384134389418
Energy: 1.37176960519889
Energy: 1.3558704006892943
Energy: 1.372276733470278
Energy: 1.31859155204308
Energy: 1.267449537325824
Energy: 1.371633977222132
Energy: 1.5409035809109661
Energy: 1.2295895107758938
Energy: 1.3648290595508885
Energy: 1.4157115891665957
Energy: 1.3544245313710699
Energy: 1.3649490958366026
Energy: 1.4158581068042726
Energy: 1.342947753924135

minimum gb energy = 0.9443944768330576 eV
minimum distance =  2.54907486343116 Angstroms
sigma value = 17


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

Energy: 2.0027273070850855
Energy: 1.4874412556977437
Energy: 1.2200135837183943
Energy: 1.9582092388184196
Energy: 1.4883734913640465
Energy: 1.2164071991322676
Energy: 1.5915415325842395
Energy: 1.1978195712612396
Energy: 1.19119147757788
Energy: 1.3931530289345149
Energy: 1.2574205070540092
Energy: 1.3629253558065497
Energy: 1.3844546098274435
Energy: 1.2054184731894502
Energy: 1.189872515498006
Energy: 1.327602197891094
Energy: 1.302538035734451
Energy: 1.1927816576861454
Energy: 1.1513223426217267
Energy: 1.207661002891654
Energy: 1.1795817107436384
Energy: 1.1595270838984002
Energy: 1.1693476915583845
Energy: 1.0967593270729308
Energy: 1.241647263592338
Energy: 1.177307140342243
Energy: 1.2071127185385253
Energy: 1.2295899227707487
Energy: 1.3679330768882492
Energy: 1.2162836156148369
Energy: 1.744836459211131
Energy: 1.0128062088543903
Energy: 1.1116380838009405
Energy: 1.4768318101123694
Energy: 1.0168568644224072
Energy: 1.165762021030837
Energy: 1.3450464195595289
Energy: 0.9936594209476516
Energy: 0.9832204528592519
Energy: 1.3536271555739257
Energy: 0.9869162111139953
Energy: 1.123411113924555
Energy: 1.3929105731199578
Energy: 1.1771574819616482
Energy: 1.2160837234111408
Energy: 1.396026661649355
Energy: 1.2246266782251682
Energy: 1.2261459456750015
Energy: 0.9388436759355054
Energy: 1.182943241082308
Energy: 1.06857190717887
Energy: 0.9359759317153031
Energy: 1.2140153323109955
Energy: 0.9424869819950178
Energy: 0.9694527049519668
Energy: 1.148753455956735
Energy: 1.1538116285837723
Energy: 0.971771678230386
Energy: 1.1775963116318788
Energy: 1.127559162385702
Energy: 1.3859521900149763
Energy: 0.9717295857284561
Energy: 1.1331144496340766
Energy: 1.242608243211678
Energy: 0.9604246860861101
Energy: 1.1283283987577677
Energy: 1.1935045668594626
Energy: 0.9594486828878309
Energy: 0.948250828029149
Energy: 1.1860380766617413
Energy: 0.9497659193504221
Energy: 1.0068664013329804
Energy: 1.2954800716724701
Energy: 1.288420902561701
Energy: 1.164245561670055
Energy: 1.2232140299191563
Energy: 1.3706619473852264
Energy: 1.183327101355304
Energy: 0.9773952591087274
Energy: 1.20901534311272
Energy: 1.163664087248848
Energy: 0.9804938984019582
Energy: 1.2747152119677787
Energy: 0.9808235135626138
Energy: 1.0061438454940976
Energy: 1.1629741330650025
Energy: 1.1645761476609848
Energy: 1.008640823191144
Energy: 1.1621358367611188
Energy: 1.2046254970185153
Energy: 1.4049982509925574
Energy: 1.2184146050731375
Energy: 1.1845472238477741
Energy: 1.3889141145193276
Energy: 1.1750263762567932
Energy: 1.180815960143938
Energy: 1.2341563238880984
Energy: 1.1463249134065405
Energy: 1.1450538935110774
Energy: 1.2661192492748543
Energy: 1.1545182646202297
Energy: 1.1714597096681638
Energy: 1.2253925663231688
Energy: 1.3627844305124974
Energy: 1.3141359702666444
Energy: 1.191010733682311
Energy: 1.3707906708867967
Energy: 1.229332591580941
Energy: 1.371159747192289
Energy: 1.2093450832579502
Energy: 1.410154393384346
Energy: 1.3720337497567443
Energy: 1.5032732963452513
Energy: 1.3709251245052292
Energy: 1.5405881299734532
Energy: 1.2105334396299665
Energy: 1.2111691804943467
Energy: 1.5255506684594162
Energy: 1.5140019970904703
Energy: 1.2259179943415182
Energy: 1.4513559111329926
Energy: 1.2733821217944215
Energy: 1.1960483994188984
Energy: 1.4410753829435088
Energy: 1.5508913635477934
Energy: 1.2959010174623484
Energy: 1.3134809794344495
Energy: 1.3375205493412405
Energy: 1.2829283216131746
Energy: 1.2327894492539104
Energy: 1.33136661053438
Energy: 1.1971568095899578
Energy: 1.2243618795965188
Energy: 1.1684709527265673
Energy: 1.1655608272108657
Energy: 1.2267718323253987
Energy: 1.3168392755908165
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Energy: 1.4016964213952874
Energy: 1.2840361667604758
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Energy: 1.3583460991011456
Energy: 1.2896767867163106
Energy: 1.154057102875214
Energy: 1.2152854914394016
Energy: 1.208021019808191
Energy: 1.154560746800283
Energy: 1.4900987125321956
Energy: 1.2078019042412025
Energy: 1.222767329080129
Energy: 1.2136369925310941
Energy: 1.198129498556231
Energy: 1.1568579950344449
Energy: 1.2327125755630677
Energy: 1.149396590967362
Energy: 1.596028046460357
Energy: 1.3529130950820802
Energy: 1.3147569961520036
Energy: 1.4598714043208338
Energy: 1.3421533287756409
Energy: 1.1632959945250403
Energy: 1.2370751139542
Energy: 0.9931738464904485
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Energy: 1.2377257997636326
Energy: 0.9948526587651079
Energy: 0.997293670086613
Energy: 1.4782389660980617
Energy: 1.1459965146890023
Energy: 1.1452363511406225
Energy: 1.3804444110637235
Energy: 1.018685569819702
Energy: 1.1588999291739046
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Energy: 1.1632572378431534
Energy: 1.1671794724197557
Energy: 0.9759886437130987
Energy: 1.2033357915943432
Energy: 1.089802311115545
Energy: 0.9522817632614692
Energy: 1.1968355702656839
Energy: 1.180723874410548
Energy: 0.9535855459066123
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Energy: 1.0174875543539281
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Energy: 1.4840844144044893
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Energy: 1.2258397770466216
Energy: 1.3040674117905726
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Energy: 0.9345321968185886
Energy: 1.26424233044272
Energy: 0.9389661748646357
Energy: 0.9346436305991251
Energy: 1.6386798428242602
Energy: 1.087726267775436
Energy: 1.153083612956734
Energy: 1.644604700999661
Energy: 1.0959541345281183
Energy: 1.1664544841441487
Energy: 1.0268442905251856
Energy: 1.2212466208098964
Energy: 1.192699303554352
Energy: 1.0302078169761402
Energy: 1.2661664628522737
Energy: 1.203809219921546
Energy: 1.0112415136859134
Energy: 1.2031672989897708
Energy: 1.2098411959485764
Energy: 1.0109917395830157
Energy: 1.1802556506080346
Energy: 0.9949028674561011
Energy: 1.3607742511313603
Energy: 1.219525592293248
Energy: 1.1841435318239393
Energy: 1.3126899650896169
Energy: 1.306393295801954
Energy: 1.1965225558132158
Energy: 1.413205776507541
Energy: 1.1446892591908973
Energy: 1.1328125042056825
Energy: 1.27906382592552
Energy: 1.1361055736050885
Energy: 1.1322265967844523
Energy: 1.4638598503676545
Energy: 1.3629312088165222
Energy: 1.2268521869724522
Energy: 1.4994751775899586
Energy: 1.367600979133875
Energy: 1.1874066833271133
Energy: 1.4554158307873
Energy: 1.2271140380244994
Energy: 1.2231957117541374
Energy: 1.386969295770498
Energy: 1.2751005272063287
Energy: 1.3585799644041663
Energy: 1.4494746811501618
Energy: 1.252521591692305
Energy: 1.2684784678946364
Energy: 1.4515182405292366
Energy: 1.2717999735712724
Energy: 1.285576908661775
Energy: 1.462263724649475
Energy: 1.3162527375182294
Energy: 1.2075264245812554
Energy: 1.4448749937878322
Energy: 1.4033532864994769
Energy: 1.3789004327996726
Energy: 1.3008678322167813
Energy: 1.287434343819788
Energy: 1.3105439306419309
Energy: 1.2742744997772697
Energy: 1.3244835109967168
Energy: 1.3294840424271999

minimum gb energy = 0.9345321968185886 eV
minimum distance =  2.54075603648657 Angstroms
sigma value = 57


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

Energy: 1.8022839545663771
Energy: 1.4486191329084175
Energy: 1.1563245840229623
Energy: 1.8049244019324853
Energy: 1.4449476244061459
Energy: 1.1596834393772326
Energy: 1.3985944172516491
Energy: 1.1976425358529148
Energy: 1.1525358005096575
Energy: 1.310482708060063
Energy: 1.186341988863826
Energy: 1.1786228087944899
Energy: 1.2613293272773154
Energy: 1.129069024121628
Energy: 1.112823259451611
Energy: 1.2641075059189528
Energy: 1.081299281940498
Energy: 1.1321944572371367
Energy: 1.0615709417125319
Energy: 1.1309684474075898
Energy: 1.1197903656149555
Energy: 1.134656456319211
Energy: 1.1586974689972844
Energy: 1.0711007727252695
Energy: 1.2032717553550196
Energy: 1.1047537994788776
Energy: 1.0961873973725549
Energy: 1.2036486035967875
Energy: 1.2409589464930364
Energy: 1.102145764347221
Energy: 1.329196425339453
Energy: 0.9360802406177502
Energy: 1.024898732730773
Energy: 1.3672943482636115
Energy: 0.9558017936965567
Energy: 1.0757328661144685
Energy: 1.229063947257103
Energy: 0.9179022954124121
Energy: 0.9228947968135509
Energy: 1.2120320004526473
Energy: 0.9159109182548412
Energy: 1.0636065221715962
Energy: 1.2684028932099973
Energy: 1.0835220398197984
Energy: 1.1036005517703489
Energy: 1.2709543972627368
Energy: 1.0895505987644147
Energy: 1.1134171567784006
Energy: 0.85813435412306
Energy: 1.0727168903425712
Energy: 0.8722881380871087
Energy: 0.8585420586637772
Energy: 1.1906372798679425
Energy: 0.872453733482636
Energy: 0.908920563401897
Energy: 1.0427796398518923
Energy: 1.040581189738176
Energy: 0.9092201696950853
Energy: 1.0777341388065207
Energy: 1.0253472124547014
Energy: 1.2621673079271896
Energy: 0.8585633222350867
Energy: 1.0050372285679174
Energy: 1.110417587425766
Energy: 0.8739401090909763
Energy: 1.048665896538046
Energy: 1.055379951036061
Energy: 0.8473561838861027
Energy: 0.8545190872400207
Energy: 1.0560829983290787
Energy: 0.8326216931305904
Energy: 1.0403838377253236
Energy: 1.3419213299532573
Energy: 1.0826914328807005
Energy: 1.0762151839142877
Energy: 1.147084385216469
Energy: 1.2174057426745193
Energy: 1.117221785248322
Energy: 0.8280304290118605
Energy: 1.079237687386706
Energy: 0.8264025018378985
Energy: 0.8303799987772602
Energy: 1.1669814853586726
Energy: 0.8446266158051432
Energy: 0.8580298356772551
Energy: 1.0578679381568712
Energy: 1.053619315561843
Energy: 0.858603587239322
Energy: 1.0416758230912249
Energy: 1.0311565512870495
Energy: 1.2094799921246895
Energy: 0.8869971303771262
Energy: 1.0223939955444867
Energy: 1.110509670710111
Energy: 0.9179543272602868
Energy: 1.0207391934317847
Energy: 1.2038701447442768
Energy: 0.8853119322990005
Energy: 0.8918561212806863
Energy: 1.1085949498821892
Energy: 0.8799959919539466
Energy: 0.9713860093038538
Energy: 1.0770678989236724
Energy: 1.0610431036767165
Energy: 1.0641364960885227
Energy: 1.2282330931547527
Energy: 1.2906472487532186
Energy: 1.1115249272647258
Energy: 0.9098468212072601
Energy: 1.1344361435023471
Energy: 0.9088192038591291
Energy: 0.9126686700933104
Energy: 1.2250027046260765
Energy: 0.9212800410341248
Energy: 1.216031047911954
Energy: 1.080803881838898
Energy: 1.0787893980789964
Energy: 1.2116617171135475
Energy: 1.3691929465506851
Energy: 1.1094231699348096
Energy: 1.2969344688249482
Energy: 1.059780258254345
Energy: 1.1637008521505852
Energy: 1.3589203249526183
Energy: 1.0681790635631996
Energy: 1.0812999635283216
Energy: 1.4159575676078566
Energy: 1.072269947763387
Energy: 0.9388471402182456
Energy: 1.0895608967914667
Energy: 1.0684380404752845
Energy: 1.1082998442120837
Energy: 1.1880843831909573
Energy: 1.2165360218518821
Energy: 1.2004337292558385
Energy: 1.2812303719464029
Energy: 1.2640098770762471
Energy: 1.199720585825649
Energy: 1.2882135649799487
Energy: 1.283760953747152
Energy: 1.29085188103129
Energy: 1.2903243995366738
Energy: 1.3628060583326602
Energy: 1.2567738962017492
Energy: 1.38120226284186
Energy: 1.1061701905858063
Energy: 1.1050671913218542
Energy: 1.3811512329679896
Energy: 1.1086478222925713
Energy: 1.1258816577293227
Energy: 1.3851861612095713
Energy: 1.158252426985712
Energy: 1.1462972888579919
Energy: 1.3323795010768456
Energy: 1.3345860102487976
Energy: 1.2388601266172603
Energy: 1.4733773673719204
Energy: 1.2757298932447492
Energy: 1.051867544789803
Energy: 1.5192907874334347
Energy: 1.3394816323640661
Energy: 1.1203085241980222

minimum gb energy = 0.8264025018378985 eV
minimum distance =  2.54881911719604 Angstroms
sigma value = 43


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

Energy: 1.721094228932372
Energy: 1.1510595822596035
Energy: 1.02446551601464
Energy: 1.7229434953174336
Energy: 1.15229021959815
Energy: 0.9726015934881567
Energy: 1.1776232016941868
Energy: 1.0384903835083201
Energy: 1.0241799680979897
Energy: 1.1067563769324769
Energy: 1.0382718295472693
Energy: 1.0161957745518428
Energy: 1.0962636282661369
Energy: 0.9371697785957235
Energy: 0.9565063154498874
Energy: 1.0955348055490968
Energy: 0.9328735695073717
Energy: 0.9464323339667785
Energy: 0.998774620592157
Energy: 0.9558916118718455
Energy: 0.95967241436567
Energy: 0.9996282731948551
Energy: 1.008303334464096
Energy: 0.8714247109904941
Energy: 1.047375641847868
Energy: 0.9037709076343658
Energy: 0.9517602075648769
Energy: 1.010152424390839
Energy: 1.076413707119696
Energy: 0.9666126192896805
Energy: 1.2521074514132495
Energy: 0.8409530837563343
Energy: 0.8086146263448377
Energy: 1.262890989179441
Energy: 0.8406526788844558
Energy: 0.9498683082901705
Energy: 1.1232300301132334
Energy: 0.8236227642632044
Energy: 0.8944848271940061
Energy: 1.0501834364298002
Energy: 0.8292586658584304
Energy: 1.0197650212342229
Energy: 1.0968227385986629
Energy: 0.9047269275962497
Energy: 0.9165820721937296
Energy: 1.0842725038130068
Energy: 0.9045791606568656
Energy: 0.9101380745410127
Energy: 0.7734799777217334
Energy: 0.9042541606002054
Energy: 0.7822148141329681
Energy: 0.7752909241916185
Energy: 1.0224411439115613
Energy: 0.782555708220283
Energy: 0.7967214494217357
Energy: 0.9196282337058668
Energy: 0.9008773770325468
Energy: 0.782211363018741
Energy: 0.9378764921727483
Energy: 0.9019347882891454
Energy: 1.1554034177334855
Energy: 0.7541234203540481
Energy: 0.8770607999848107
Energy: 1.2040393222032306
Energy: 0.7539573461704083
Energy: 0.8955700800233903
Energy: 1.0238442296952568
Energy: 0.7343088681480597
Energy: 0.7342286016593275
Energy: 0.997980197473828
Energy: 0.7343932016621153
Energy: 0.8972328945240753
Energy: 1.1504132920581747
Energy: 0.8841264709162056
Energy: 0.9117570024279106
Energy: 0.9848717773653789
Energy: 0.884732732652481
Energy: 0.9178779943828783
Energy: 0.712800565492993
Energy: 1.0221609411309132
Energy: 0.7248321920477913
Energy: 0.7149197813015467
Energy: 0.992635987237202
Energy: 0.7123818757253302
Energy: 0.7294520237358841
Energy: 0.8867691250311613
Energy: 0.8791396637400566
Energy: 0.734769088120034
Energy: 0.8877906620637931
Energy: 0.9054735575846338
Energy: 0.979358236929859
Energy: 0.7232017584448934
Energy: 0.7192135270600457
Energy: 0.9400567266195851
Energy: 0.723032329380286
Energy: 0.8719739588750518
Energy: 0.8515650628053085
Energy: 0.7150584855060604
Energy: 0.7149944212601329
Energy: 0.8528846724343445
Energy: 0.7150699891351515
Energy: 0.8687821490058921
Energy: 0.9903951928348532
Energy: 0.9385848646018056
Energy: 0.931697228169387
Energy: 0.9927938785915632
Energy: 1.324234904940169
Energy: 0.9490073463147195
Energy: 0.7022418910986666
Energy: 0.9786128512245793
Energy: 0.7020796428404532
Energy: 0.7038282287238463
Energy: 0.9833221306012352
Energy: 0.702167612270959
Energy: 1.06631240790102
Energy: 0.9365373334082812
Energy: 0.9421705061760297
Energy: 1.0137838468016096
Energy: 1.4252076305806711
Energy: 0.958755607748541
Energy: 0.877664560581089
Energy: 0.7187057029236108
Energy: 0.7263831029012764
Energy: 0.8798638412910569
Energy: 0.7263370002454089
Energy: 0.876626706157044
Energy: 0.8367886937028229
Energy: 0.7329582873080028
Energy: 0.7247272500326499
Energy: 1.0299038060243977
Energy: 0.7330514441721494
Energy: 0.8888166324995914
Energy: 0.7546802568267552
Energy: 0.9076079357819619
Energy: 0.8760569493721911
Energy: 0.7453006901929504
Energy: 0.9070427291701497
Energy: 0.9143728141328943
Energy: 0.7349322076798628
Energy: 1.0386824283570921
Energy: 0.7467680976224875
Energy: 0.7370428775132315
Energy: 1.0055923359234575
Energy: 0.7406757983792607
Energy: 1.1052942362675051
Energy: 0.8898410814846676
Energy: 0.9019114795425347
Energy: 1.0331643775805668
Energy: 0.8902468391424686
Energy: 0.9017974757391783
Energy: 1.121558397212683
Energy: 0.7702683511925908
Energy: 0.770056047285788
Energy: 1.008168923898008
Energy: 0.7701504024857183
Energy: 0.9273476240433807
Energy: 1.2522403242011437
Energy: 0.7887452923555055
Energy: 0.8481268801603845
Energy: 1.263316251102603
Energy: 0.7887064747543033
Energy: 0.9082412172900233
Energy: 0.973741775133474
Energy: 0.9282137808035049
Energy: 0.9318849925544969
Energy: 0.9647149884372822
Energy: 1.0034117855741744
Energy: 0.9120540431213231
Energy: 0.8347862840331167
Energy: 0.921176056978004
Energy: 0.8380953420209769
Energy: 0.8364433910487803
Energy: 1.0740176258319418
Energy: 0.8383424794548734
Energy: 1.0743985994481007
Energy: 0.9152934869920403
Energy: 0.9328658019087996
Energy: 1.076372554194796
Energy: 0.91454594593148
Energy: 0.9262501057870687
Energy: 1.2238458817099247
Energy: 0.9269386333881703
Energy: 1.0309340330962575
Energy: 0.9604580242467953
Energy: 0.9327784897146694
Energy: 1.0624435188114123
Energy: 1.3191326232405975
Energy: 0.9386588754886692
Energy: 0.9018131413642477
Energy: 1.3310932260389352
Energy: 0.9392655840681464
Energy: 0.9689695383616863
Energy: 1.087207429927496
Energy: 0.9922432343332457
Energy: 0.9823333991722292
Energy: 1.0598396193135282
Energy: 1.099501796644305
Energy: 0.9821764871870151
Energy: 1.1435246460902826
Energy: 0.9894041246135613
Energy: 0.9861061189870269
Energy: 1.1531243382197711
Energy: 1.0379261160195656
Energy: 0.9874567942567075
Energy: 1.1564841303668618
Energy: 0.9404336035802758
Energy: 0.9866599588509538
Energy: 1.1510738355423633
Energy: 0.9271212277832672
Energy: 0.9087243780847754
Energy: 1.198551218884855
Energy: 1.062668226808387
Energy: 0.9903311236360515
Energy: 1.099793341660966
Energy: 1.1052042594682372
Energy: 0.9772513333272435

minimum gb energy = 0.7020796428404532 eV
minimum distance =  2.57104691482616 Angstroms
sigma value = 81


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

Energy: 0.07516206227357222
Energy: 0.07670550513928627
Energy: 0.07614053270508545
Energy: 0.07802731844520043
Energy: 0.07966037945829084
Energy: 0.07609896773301979
Energy: 0.12498152067297023
Energy: 0.07631344727302246
Energy: 0.07651458325750098
Energy: 0.12481422485052489
Energy: 0.08028359616862471
Energy: 0.07641825328482826
Energy: 0.12237581597322374
Energy: 0.07605906892908837
Energy: 0.07634143057212084
Energy: 0.12205672289132788
Energy: 0.07576923759953759
Energy: 0.12380127984748159
Energy: 0.07926431776126655
Energy: 0.07605691514701039
Energy: 0.07526324349828341
Energy: 0.07873470597187619
Energy: 0.07601852254310848
Energy: 0.12483087600156983
Energy: 0.12404090752737817
Energy: 0.12210401704807278
Energy: 0.12247016009318945
Energy: 0.12540476109818272
Energy: 0.12211794398042115
Energy: 0.12432733975764355
Energy: 0.07678718269862697
Energy: 0.07617265790191749
Energy: 0.07626701308022721
Energy: 0.07887276539228531
Energy: 0.07646614740826048
Energy: 0.07622629198956468
Energy: 0.12213067132447025
Energy: 0.07642558999436325
Energy: 0.07700385665280729
Energy: 0.1223963368370118
Energy: 0.07618004784173193
Energy: 0.07650892988790751
Energy: 0.12215216990112683
Energy: 0.07681547610081219
Energy: 0.0759911232613361
Energy: 0.12208283868191107
Energy: 0.07569132302916305
Energy: 0.12663868270140768
Energy: 0.07731249054480545
Energy: 0.0760728404790205
Energy: 0.1275147439589382
Energy: 0.07847048292105895
Energy: 0.07587141761943587
Energy: 0.1259185867578138
Energy: 0.07524268412417563
Energy: 0.12209515525180913
Energy: 0.12218532992331586
Energy: 0.0752427928526858
Energy: 0.12211544248886204
Energy: 0.1225430698796191

minimum gb energy = 0.07516206227357222 eV
minimum distance =  2.74510533299272 Angstroms
sigma value = 3


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

Energy: 1.7736475254259003
Energy: 1.0939410403361645
Energy: 1.0359745141484205
Energy: 1.7758129893741303
Energy: 1.0942477709074832
Energy: 1.045343308535455
Energy: 1.0906557330771511
Energy: 1.036775054950602
Energy: 1.0314404353682574
Energy: 1.0525339834032836
Energy: 1.040059857807004
Energy: 1.0663720626395279
Energy: 1.0356891024364523
Energy: 1.040873278540626
Energy: 1.0410195276452778
Energy: 1.0354306808649623
Energy: 1.0412566875155052
Energy: 0.96926298887017
Energy: 0.9849000758815022
Energy: 1.0477777075524513
Energy: 1.0492405607388895
Energy: 0.9859773164885733
Energy: 1.0095090283042722
Energy: 1.1455532769315016
Energy: 0.9622962400462287
Energy: 1.0451390307994515
Energy: 1.0658459874844615
Energy: 0.9623059093114114
Energy: 1.0493740553551134
Energy: 1.0660301866662318
Energy: 1.7003695246711108
Energy: 1.0723464450393885
Energy: 1.0409226207143987
Energy: 1.377631667162609
Energy: 1.014062162861049
Energy: 1.003270316892219
Energy: 0.9503615882919569
Energy: 0.9601524704509591
Energy: 0.8879556677567728
Energy: 0.9525759193011768
Energy: 0.9859360677848223
Energy: 1.0823117775631508
Energy: 0.9372896294588478
Energy: 0.9704985814721397
Energy: 0.9725444347103442
Energy: 0.9375947635316042
Energy: 0.9533741815824832
Energy: 0.9599349265888408
Energy: 1.1434302366960376
Energy: 0.9943854205721646
Energy: 1.0635282244766433
Energy: 1.1451809057212012
Energy: 0.9008999812729861
Energy: 1.0416862585602495
Energy: 0.9723426283411736
Energy: 0.8482961107208468
Energy: 0.8505268637486593
Energy: 0.9402804045575266
Energy: 0.8527546005210875
Energy: 0.908731802770812
Energy: 1.3634533741636223
Energy: 0.9649985962875762
Energy: 0.978281547559571
Energy: 0.9911735472531913
Energy: 0.949816471628635
Energy: 0.9407872872259403
Energy: 0.7980706313844109
Energy: 1.0068837560675927
Energy: 0.9898573371328688
Energy: 0.7980465659640187
Energy: 1.039970186199118
Energy: 0.8475546180833735
Energy: 0.7939474459196458
Energy: 0.9392191209451434
Energy: 0.9322957936163263
Energy: 0.794013211175686
Energy: 0.9300636371301549
Energy: 0.9318342725332365
Energy: 1.2362878551783878
Energy: 0.9600342363087829
Energy: 0.9464785311057908
Energy: 1.0388450094186834
Energy: 0.8840443073143193
Energy: 0.9403017301037089
Energy: 0.9697200486661544
Energy: 0.7601874749769497
Energy: 0.76037030397202
Energy: 0.8483045492879911
Energy: 0.7644891323549521
Energy: 0.843608243185062
Energy: 0.8762447161292104
Energy: 0.930144093232649
Energy: 0.9321994617665604
Energy: 0.8901401603328789
Energy: 0.8940045822345825
Energy: 0.9224582450952588
Energy: 0.7467737203004744
Energy: 0.9261541038247667
Energy: 0.9289630018605627
Energy: 0.7470079362923614
Energy: 0.8929491483395491
Energy: 0.7959052525488226
Energy: 0.7451417740639729
Energy: 0.9521644663768872
Energy: 0.9560955109628765
Energy: 0.7453268388783643
Energy: 1.2953320871899177
Energy: 0.9520559216488169
Energy: 1.2978851120164379
Energy: 0.8897886438643676
Energy: 0.9273038384835347
Energy: 1.0783330710708285
Energy: 0.8954787819555502
Energy: 0.927244872149923
Energy: 0.9396937894087487
Energy: 0.740978082724443
Energy: 0.746003174563434
Energy: 0.8412790768216444
Energy: 0.7461667021467716
Energy: 0.796238047620004
Energy: 0.8687053937811549
Energy: 0.9660378757509834
Energy: 0.969515585318735
Energy: 0.8906378856022485
Energy: 0.8784177835614361
Energy: 0.9678916208597488
Energy: 0.7635179734004451
Energy: 0.9066511235984455
Energy: 0.921888366247769
Energy: 0.7651978801905971
Energy: 0.908515321748284
Energy: 0.7603843224114016
Energy: 0.7681976068386099
Energy: 1.0248151862345096
Energy: 1.023391023961436
Energy: 0.7680862483255411
Energy: 0.9328285743822173
Energy: 0.9551957272198642
Energy: 1.4790163899916746
Energy: 0.7938815013699302
Energy: 0.9476359776416737
Energy: 1.4799934985441316
Energy: 0.7936298577488627
Energy: 0.9489013243055789
Energy: 0.9470550159796315
Energy: 0.7934905151357738
Energy: 0.8473713360272387
Energy: 0.9302160421446203
Energy: 0.7940200028127963
Energy: 0.8475947210281538
Energy: 0.9467590966796212
Energy: 0.9737989634568778
Energy: 0.9734477909154219
Energy: 0.9486786908546878
Energy: 0.941703829308014
Energy: 1.0150081103078703
Energy: 0.8508269216861621
Energy: 0.9746888529266201
Energy: 0.9787223547063105
Energy: 0.8529727596968703
Energy: 0.9023635791972348
Energy: 0.8499301556803545
Energy: 0.8186551429990029
Energy: 1.039642154257692
Energy: 1.042654190537731
Energy: 0.8194683652860278
Energy: 1.0564808008512483
Energy: 0.9549695639318053
Energy: 1.3436787569535542
Energy: 0.9365200002467415
Energy: 0.990464685250213
Energy: 1.2992806058559183
Energy: 0.936434298761501
Energy: 0.9703660354501217
Energy: 0.9859503313203893
Energy: 0.9725393294900487
Energy: 0.9922566386347252
Energy: 0.9865135139645551
Energy: 0.9790257283063125
Energy: 1.040259298613203
Energy: 0.9553388283424205
Energy: 0.992755208618398
Energy: 0.9926975875730195
Energy: 0.955587984242043
Energy: 0.9696273111779669
Energy: 0.9959938725757389
Energy: 1.0449021620676933
Energy: 1.0121502355652123
Energy: 1.0552836559295506
Energy: 1.0470873098596003
Energy: 1.0095378890686373
Energy: 1.065768250998688
Energy: 1.0049037250503372
Energy: 0.9821578204804863
Energy: 0.9824279474548477
Energy: 1.0305004836864777
Energy: 0.9858074761359275
Energy: 1.0879539930821012

minimum gb energy = 0.740978082724443 eV
minimum distance =  2.51990688095633 Angstroms
sigma value = 67


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

Energy: 1.6827339457304404
Energy: 1.6077681313250756
Energy: 1.180201068939732
Energy: 1.6786645117480892
Energy: 1.6044577971964706
Energy: 1.248081808808683
Energy: 1.266687041960258
Energy: 1.1887405459236482
Energy: 1.194641598345344
Energy: 1.236318813214911
Energy: 1.1906943340183993
Energy: 1.2464434054913591
Energy: 1.2110624169673914
Energy: 1.2224895368799868
Energy: 1.3452832451268515
Energy: 1.2125538527198694
Energy: 1.1377886169562814
Energy: 1.2480447534384875
Energy: 1.0897327579684843
Energy: 1.3517729575181259
Energy: 1.3652530000617993
Energy: 1.089969885403476
Energy: 1.1562649759464834
Energy: 1.368697082058056
Energy: 1.0467510396522943
Energy: 1.2353124962880506
Energy: 1.2399996211767617
Energy: 1.0470097307308852
Energy: 1.212953094510755
Energy: 1.257387657710293
Energy: 1.480937289332414
Energy: 1.2621292628548058
Energy: 1.2391254804672296
Energy: 1.5496560870594225
Energy: 1.2802921653583708
Energy: 1.2434324200923978
Energy: 1.0603636154146967
Energy: 1.1991784046263994
Energy: 1.2416347564027623
Energy: 1.0616769648140103
Energy: 1.1883333399467932
Energy: 1.1450075287092294
Energy: 1.0620182221725631
Energy: 1.1350087460295637
Energy: 1.1324746423285013
Energy: 1.063701868329163
Energy: 1.1388301999433592
Energy: 1.186337156402181
Energy: 1.3637221540897895
Energy: 1.1791877256244685
Energy: 1.2080784450384674
Energy: 1.198704313193107
Energy: 1.0148104914074676
Energy: 1.1963153274052607
Energy: 1.1411687125517882
Energy: 0.9599681738336063
Energy: 0.9542810500797496
Energy: 1.1384566915439176
Energy: 0.9559736755105119
Energy: 1.0613400670115203
Energy: 1.087661493637179
Energy: 1.1056173170566914
Energy: 1.1364767111017648
Energy: 1.1251878594415734
Energy: 1.0726027780401988
Energy: 1.1374013861015713
Energy: 0.9156616255525882
Energy: 1.1798374090348753
Energy: 1.1504686428190243
Energy: 0.9172495952815637
Energy: 1.270711531527308
Energy: 0.9814650142847791
Energy: 0.9147533429464296
Energy: 1.1653960729648924
Energy: 1.1529827791369751
Energy: 0.9163237416603864
Energy: 1.4072475936014217
Energy: 1.0108265554694935
Energy: 1.0587651947947094
Energy: 1.1195242260707232
Energy: 1.1111295019251888
Energy: 1.0940783856904892
Energy: 1.0463735928015927
Energy: 1.1063197517450478
Energy: 1.0947841236496787
Energy: 0.9119053829348648
Energy: 0.9198016926134486
Energy: 1.0945781515797883
Energy: 0.9075360622952205
Energy: 0.9913410534521357
Energy: 1.227844119337072
Energy: 1.1272997758454746
Energy: 1.124515112880711
Energy: 1.0629810557756323
Energy: 1.0336893812355321
Energy: 1.1537457316857207
Energy: 0.9567506728049993
Energy: 1.1142043087964937
Energy: 1.1405971505200374
Energy: 0.9581710772378101
Energy: 1.1121290643044197
Energy: 1.0954304710336544
Energy: 0.9568417345374384
Energy: 1.211865908067996
Energy: 1.2053095226844477
Energy: 0.95724233578536
Energy: 1.2116784692936866
Energy: 1.0768522187177259
Energy: 1.478293426903479
Energy: 1.1393536910826634
Energy: 1.1863413010826753
Energy: 1.4324311416801705
Energy: 1.134846263273115
Energy: 1.1631480230800852
Energy: 1.135972491568222
Energy: 1.105867091677411
Energy: 1.1473989584223736
Energy: 1.0721941540194149
Energy: 1.06609352549059
Energy: 1.1346963447103497
Energy: 1.210452685706695
Energy: 1.2515102495015946
Energy: 1.26197290637157
Energy: 1.2126892152266917
Energy: 1.1251307613727806
Energy: 1.257428958594051
Energy: 1.2162773401445124
Energy: 1.185385553591469
Energy: 1.2414666953088256
Energy: 1.2177923607422014
Energy: 1.1160287471579373
Energy: 1.1906361671108308
Energy: 1.1670261236963146
Energy: 1.1424279872327974
Energy: 1.194530031163638
Energy: 1.1002942458009635
Energy: 1.1384315074863478
Energy: 1.245911166412581

minimum gb energy = 0.9075360622952205 eV
minimum distance =  2.4977210476286 Angstroms
sigma value = 33


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

Energy: 1.8269209904035935
Energy: 1.4331959620127896
Energy: 1.5702807841482853
Energy: 1.8310066568159271
Energy: 1.4402001098261805
Energy: 1.308643886844743
Energy: 1.3052861358275567
Energy: 1.260118769399931
Energy: 1.2663548545516352
Energy: 1.3048852965754592
Energy: 1.260783509396268
Energy: 1.3168640266078926
Energy: 1.30143976788417
Energy: 1.4406089439405856
Energy: 1.4305915141198278
Energy: 1.3033408167046518
Energy: 1.4302370221288252
Energy: 1.3348671112074137
Energy: 1.1486283739717804
Energy: 1.4691444687086528
Energy: 1.4725873303502286
Energy: 1.150442722702666
Energy: 1.1889361192801224
Energy: 1.472201063728736
Energy: 1.0936710955486642
Energy: 1.313405734927944
Energy: 1.3377703921569724
Energy: 1.0927405737104343
Energy: 1.3387636285794047
Energy: 1.3336768029047534
Energy: 1.6915997899512702
Energy: 1.3935940808367258
Energy: 1.4226929264556716
Energy: 1.6938971397114133
Energy: 1.3962532328043316
Energy: 1.2973352112391403
Energy: 1.0935798092215627
Energy: 1.2932167602829994
Energy: 1.320713119499202
Energy: 1.0929896149013982
Energy: 1.2925007942319533
Energy: 1.2135251384635812
Energy: 1.1111704865908798
Energy: 1.277051299109753
Energy: 1.2593376388177502
Energy: 1.1129734953506587
Energy: 1.2768638664538823
Energy: 1.164118999231395
Energy: 1.3143262033165726
Energy: 1.2558924132626887
Energy: 1.2524866708415021
Energy: 1.3167430787366707
Energy: 1.0722699676260257
Energy: 1.2512059722619382
Energy: 1.2391004182429226
Energy: 1.0107024220623593
Energy: 1.0101925809722803
Energy: 1.1797656465624269
Energy: 1.013539938861378
Energy: 1.139714013454587
Energy: 1.186306467015434
Energy: 1.186179539714523
Energy: 1.2187424315354223
Energy: 1.1775007597643377
Energy: 1.132089703933203
Energy: 1.2332727234761087
Energy: 1.0171698427364553
Energy: 1.2778955910750476
Energy: 1.2772516411419843
Energy: 1.018920643635491
Energy: 1.3740988266730836
Energy: 1.122654450163638
Energy: 1.0187605163642555
Energy: 1.3144751112921036
Energy: 1.304400998726712
Energy: 1.0102045062064224
Energy: 1.338663432034821
Energy: 1.1516103873958676
Energy: 1.4257095729877767
Energy: 1.1944162049464786
Energy: 1.2616365817114659
Energy: 1.4064211833681652
Energy: 1.188360093576365
Energy: 1.241560093861289
Energy: 1.169456246917399
Energy: 1.1771265323227817
Energy: 1.175284995506218
Energy: 1.1823131072549875
Energy: 1.1133654225191523
Energy: 1.2240320988500013
Energy: 1.2967903166141632
Energy: 1.3013729680394266
Energy: 1.304196632545097
Energy: 1.2991744110826327
Energy: 1.0314655124881489
Energy: 1.252219291077515
Energy: 1.3119193381353071
Energy: 1.3152450559930131
Energy: 1.3227969172495004
Energy: 1.3051477175228676
Energy: 1.315097097415421
Energy: 1.2545250510635675
Energy: 1.3085323832615237
Energy: 1.1991069192868717
Energy: 1.258684377744575
Energy: 1.3104574429059361
Energy: 1.2147247067645557
Energy: 1.2973732718739055
Energy: 1.828207303534794
Energy: 1.369756175570312
Energy: 1.5431255641560306
Energy: 1.8309419472359543
Energy: 1.3669014563951438
Energy: 1.332609424544182
Energy: 1.1516905755448115
Energy: 1.259773261384046
Energy: 1.25892003006203
Energy: 1.1517566199878841
Energy: 1.2604734941647298
Energy: 1.2586293380845306
Energy: 1.2979122277056887
Energy: 1.3390625706050492
Energy: 1.3397232502868979
Energy: 1.2649835244731598
Energy: 1.3087876127394298
Energy: 1.334946100138345
Energy: 1.1902451674805348
Energy: 1.4438593969414608
Energy: 1.4500625583711508
Energy: 1.1795954502495793
Energy: 1.46894340694247
Energy: 1.472109887431297
Energy: 1.0930543711590825
Energy: 1.3363163913481144
Energy: 1.3407608626466576
Energy: 1.0930709716973899
Energy: 1.3391401570186714
Energy: 1.3339031578213685
Energy: 1.6879640565031497
Energy: 1.4184607614046405
Energy: 1.4220777603066794
Energy: 1.689009102379614
Energy: 1.3585227015001382
Energy: 1.2832224072242846
Energy: 1.0927990425957366
Energy: 1.2921110296414617
Energy: 1.319963286209926
Energy: 1.0931050841141332
Energy: 1.290253563894162
Energy: 1.2604110351896027
Energy: 1.1079734235079988
Energy: 1.2771039245156472
Energy: 1.2853757845266223
Energy: 1.109930489842169
Energy: 1.2765339506129418
Energy: 1.1641355951206533
Energy: 1.3120013885543302
Energy: 1.250929060930517
Energy: 1.2964508564378197
Energy: 1.1857354220483987
Energy: 1.0726863581617254
Energy: 1.3293326964010617
Energy: 1.3173018919940025
Energy: 1.0186954740033114
Energy: 1.0153748676729017
Energy: 1.2139370574877941
Energy: 1.011848349532694
Energy: 1.1397918555918432
Energy: 1.4585931240522532
Energy: 1.1958163057761622
Energy: 1.2207549758440417
Energy: 1.457662791371868
Energy: 1.129646806567342
Energy: 1.2355406263678592
Energy: 1.0102050407993903
Energy: 1.2778079167679186
Energy: 1.2927297613687276
Energy: 1.0101795005329544
Energy: 1.353770519291864
Energy: 1.1730161648537227
Energy: 1.0136694616111863
Energy: 1.3520519715126833
Energy: 1.1513995571627063
Energy: 1.0154014791495916
Energy: 1.3325393097764788
Energy: 1.1149505675207283
Energy: 1.381691914926425
Energy: 1.2563344918429884
Energy: 1.2602894537719564
Energy: 1.22266455687188
Energy: 1.1893973869250858
Energy: 1.2404864580606259
Energy: 1.1698766004805727
Energy: 1.1170600292808532
Energy: 1.1707887653099667
Energy: 1.1422530190805824
Energy: 1.111011689719177
Energy: 1.2299970085927578
Energy: 1.2955304279732343
Energy: 1.2787477185254246
Energy: 1.209310244701165
Energy: 1.297449733726271
Energy: 1.0313597765762479
Energy: 1.2107443448366315
Energy: 1.305083805983727
Energy: 1.3153621035903
Energy: 1.3152260504847504
Energy: 1.3049747651955264
Energy: 1.4017797959621308
Energy: 1.313585963681678
Energy: 1.3057483384562538
Energy: 1.1991912289986364
Energy: 1.3171037985040022
Energy: 1.2957976678940542
Energy: 1.2079299900801657
Energy: 1.3171703540746165
Energy: 1.472599920233847
Energy: 1.3699037786825452
Energy: 1.5544135363349638
Energy: 1.5912627884827286
Energy: 1.374976750270688
Energy: 1.3631423604876878

minimum gb energy = 1.0101795005329544 eV
minimum distance =  2.53790547644268 Angstroms
sigma value = 41


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

Energy: 1.6378487546107836
Energy: 1.5909041194091682
Energy: 1.6896450965256566
Energy: 1.6420844455168886
Energy: 2.006067623346574
Energy: 1.6929365595604082
Energy: 1.3595747749667186
Energy: 1.3265793012596134
Energy: 1.3221964299790936
Energy: 1.3549128634081964
Energy: 1.3261915280410657
Energy: 1.3994129878915245
Energy: 1.2711180087460623
Energy: 1.5492316056708124
Energy: 1.5457635705398085
Energy: 1.4365001869262317
Energy: 1.3239266948457167
Energy: 1.4160284761719661
Energy: 1.4164293115913624
Energy: 1.5679038303720543
Energy: 1.594274763954435
Energy: 1.4071540025082936
Energy: 1.5095245782367201
Energy: 1.3252425354191222
Energy: 1.142739934177544
Energy: 1.4216328821635833
Energy: 1.5352800984350452
Energy: 1.1427866958568484
Energy: 1.421806935292313
Energy: 1.541924839064081
Energy: 1.510274311558703
Energy: 1.4749550042717503
Energy: 1.5373223343260134
Energy: 1.5120561566830033
Energy: 1.498164637826027
Energy: 1.5426626722118641
Energy: 1.1437157854692344
Energy: 1.362172610043146
Energy: 1.3892896464790636
Energy: 1.143689468674129
Energy: 1.3268984322502262
Energy: 1.294041112261609
Energy: 1.155970464175254
Energy: 1.3806314784463019
Energy: 1.3117335313763314
Energy: 1.1578248017960147
Energy: 1.5229167532956989
Energy: 1.230368163808836
Energy: 1.516565879194921
Energy: 1.3772087602048884
Energy: 1.3679943128787666
Energy: 1.5180884779827415
Energy: 1.230794648256686
Energy: 1.3697502369639454
Energy: 1.3383322134147593
Energy: 1.242294758011078
Energy: 1.2491326449203128
Energy: 1.2823452692075084
Energy: 1.1606735261255718
Energy: 1.2500070252577824
Energy: 1.4315851780697442
Energy: 1.3801399751737766
Energy: 1.3775801180581317
Energy: 1.4334392443447732
Energy: 1.0982967924486748
Energy: 1.2941755392972076
Energy: 1.2711395945311468
Energy: 1.402630131040721
Energy: 1.4262339778372932
Energy: 1.3060136018812019
Energy: 1.5423370372382277
Energy: 1.4087590429576269
Energy: 1.3537470795616302
Energy: 1.232093742299004
Energy: 1.3779688451421093
Energy: 1.3558203360858916
Energy: 1.2716292585155724
Energy: 1.3979276830189473
Energy: 1.7587822195581775
Energy: 1.4570310763264127
Energy: 1.6816227257167013
Energy: 1.653178976623094
Energy: 1.442069006841585
Energy: 1.6777451124832101

minimum gb energy = 1.0982967924486748 eV
minimum distance =  2.50711670508749 Angstroms
sigma value = 11


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

Energy: 2.0298703211347533
Energy: 1.5747697455140421
Energy: 1.515642823932785
Energy: 2.0321017733508873
Energy: 1.5745059411692026
Energy: 1.7393219088724412
Energy: 1.5417339454282504
Energy: 1.2319944879092792
Energy: 1.2596722772923605
Energy: 1.5472908890176058
Energy: 1.2662002579757614
Energy: 1.3538674490961085
Energy: 1.736526786979313
Energy: 1.6959903018178848
Energy: 1.6796100605291802
Energy: 1.7305993268133308
Energy: 1.6985618076358044
Energy: 1.617367530866926
Energy: 1.6450451268833906
Energy: 1.565705907429331
Energy: 1.5117538813795866
Energy: 1.6472589362160368
Energy: 1.3064845913577698
Energy: 1.5013121658188604
Energy: 1.4115586402452218
Energy: 1.312896402667126
Energy: 1.2979997795143616
Energy: 1.3161985616434375
Energy: 1.3145312221141192
Energy: 1.412309116940136
Energy: 1.5123052569455477
Energy: 1.3331253995725694
Energy: 1.4369164034770103
Energy: 1.5076334317117406
Energy: 1.3000207168407203
Energy: 1.438771185747374
Energy: 1.3040644006070494
Energy: 1.4320473995139464
Energy: 1.4487483577884916
Energy: 1.3062601017929685
Energy: 1.4228669032949621
Energy: 1.447395429503941
Energy: 1.23823732201473
Energy: 1.3406917583300544
Energy: 1.3702877071174744
Energy: 1.240474354747996
Energy: 1.308420297594144
Energy: 1.354712238523418
Energy: 1.4994387510477025
Energy: 1.5830090361954747
Energy: 1.6143880262733274
Energy: 1.4990021523163934
Energy: 1.6201382497250458
Energy: 1.7456354267622847
Energy: 1.4743830034428307
Energy: 1.6250691871207186
Energy: 1.6291051577451194
Energy: 1.2540319295852276
Energy: 1.6800029004471186
Energy: 1.7460576060951147
Energy: 1.3728311408783085
Energy: 1.3742962037942899
Energy: 1.451240070436404
Energy: 1.3754101343430727
Energy: 1.458761491340522
Energy: 1.3401860806056145
Energy: 1.3266366468516744
Energy: 1.856969110325462
Energy: 1.77135265873105
Energy: 1.3254392042960115
Energy: 1.9276628818555717
Energy: 1.7747542860545014
Energy: 1.2031925342920513
Energy: 1.5050469867432281
Energy: 1.4869496060106981
Energy: 1.203260297596805
Energy: 1.6059227884480118
Energy: 1.444012587941978
Energy: 1.7251570326058359
Energy: 1.6345564592095816
Energy: 1.6314843275298678
Energy: 1.7116347941911605
Energy: 1.6338304795573724
Energy: 1.665331474120359
Energy: 1.2047240528012866
Energy: 1.379365972737535
Energy: 1.424694395158045
Energy: 1.20455268223322
Energy: 1.5957120285425892
Energy: 1.428652399739881
Energy: 1.225712525176053
Energy: 1.363664721062393
Energy: 1.3811339928485569
Energy: 1.2282315195615254
Energy: 1.3807852022733367
Energy: 1.290484492740131
Energy: 1.2304901333011058
Energy: 1.3825436440538892
Energy: 1.409437052113491
Energy: 1.2303009552447477
Energy: 1.371896128967055
Energy: 1.3887809604006864
Energy: 1.604126601493321
Energy: 1.4321741146070721
Energy: 1.4318488404598515
Energy: 1.5978352035746157
Energy: 1.4411448525608943
Energy: 1.501981581991742
Energy: 1.2452084183148384
Energy: 1.3619617236473145
Energy: 1.3982770523967982
Energy: 1.2451809259991529
Energy: 1.3578354777373582
Energy: 1.358884804210174
Energy: 1.4236489044068699
Energy: 1.788415000479862
Energy: 1.7345803764858883
Energy: 1.4484289471815142
Energy: 1.829696123134802
Energy: 1.5088188213535243
Energy: 1.4361740740801645
Energy: 1.617874803151354
Energy: 1.4827402660275766
Energy: 1.4900160622105625
Energy: 1.295257627274165
Energy: 1.4194656034584598
Energy: 1.2651196041645991
Energy: 1.3354859770029557
Energy: 1.3912345224310414
Energy: 1.2653814528928529
Energy: 1.403936285608314
Energy: 1.419392780960692
Energy: 1.8680223872765842
Energy: 1.4238398727709607
Energy: 1.645042268151358
Energy: 1.8406866705592384
Energy: 1.4532732284468861
Energy: 1.6205710970842737
Energy: 1.4005590013597111
Energy: 1.2664744040711127
Energy: 1.3336744756916195
Energy: 1.4018521514628144
Energy: 1.2350065478065837
Energy: 1.3919762207095596
Energy: 1.433082826581543
Energy: 1.6247671979137066
Energy: 1.5597703189791328
Energy: 1.440177936812619
Energy: 1.5198730627914185
Energy: 1.556989722914574
Energy: 1.5026339605435362
Energy: 1.3446081311001306
Energy: 1.3995805089971491
Energy: 1.376015431114527
Energy: 1.2240053716772707
Energy: 1.4097417157987548
Energy: 1.4473388672600003
Energy: 1.2402939471434735
Energy: 1.2404026042326575
Energy: 1.3811244028298908
Energy: 1.2431125078969976
Energy: 1.3313882696323034
Energy: 1.602506073312868
Energy: 1.378839303284566
Energy: 1.4073733965868236
Energy: 1.5407511791645623
Energy: 1.237015575115082
Energy: 1.421170091312839
Energy: 1.6270286529745976
Energy: 1.6372949502332024
Energy: 1.616449760857444
Energy: 1.6302253572292733
Energy: 1.6026960516665625
Energy: 1.5544051292464374
Energy: 1.5533179033971074
Energy: 1.2194382782214805
Energy: 1.2950679957224485
Energy: 1.5430537650254783
Energy: 1.2194644452614885
Energy: 1.4007722537248282
Energy: 2.0410257450910483
Energy: 1.297291440215413
Energy: 1.6721034726130792
Energy: 2.0450606734980563
Energy: 1.3153138798006556
Energy: 1.5114051618328943

minimum gb energy = 1.2031925342920513 eV
minimum distance =  2.50943825145589 Angstroms
sigma value = 57


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

Energy: 1.8302096656859423
Energy: 1.3872564002099548
Energy: 1.6282928922743765
Energy: 1.834198251777051
Energy: 2.114767802522208
Energy: 1.7500616021461366
Energy: 1.2484979587840093
Energy: 1.3641043386208223
Energy: 1.377576285795442
Energy: 1.2499643118963244
Energy: 1.3115940491184308
Energy: 1.3674026295002066
Energy: 1.30941779102117
Energy: 1.5290437282301996
Energy: 1.4278793459681203
Energy: 1.3096016017095118
Energy: 1.5234719982680216
Energy: 1.3677940517516085
Energy: 1.4079680763572981
Energy: 1.4527175146568851
Energy: 1.312667394600724
Energy: 1.4095306366851352
Energy: 1.7576437135584484
Energy: 1.3136057057511898
Energy: 1.3270309688260626
Energy: 1.3694802324735165
Energy: 1.55381094514142
Energy: 1.2926321953471789
Energy: 1.3542736191471083
Energy: 1.5365965289733745
Energy: 1.5152718209071911
Energy: 1.5088110883509018
Energy: 1.5521539148904513
Energy: 1.517295099501471
Energy: 1.5108093595258387
Energy: 1.550434658124412
Energy: 1.3255411580630598
Energy: 1.1791322253778627
Energy: 1.337855554201418
Energy: 1.327461320060954
Energy: 1.1837803750351905
Energy: 1.4808116093702441
Energy: 1.3128106100373493
Energy: 1.35412064215939
Energy: 1.4266463124424527
Energy: 1.2798507666337522
Energy: 1.3124110302585006
Energy: 1.3149272979693414
Energy: 1.1000459413009105
Energy: 1.3931359657869706
Energy: 1.617534628463305
Energy: 1.3935241491685542
Energy: 1.3954968386738018
Energy: 1.620564009448735
Energy: 1.099629498516044
Energy: 1.4314709839347242
Energy: 1.6180887507958643
Energy: 1.2244856675554985
Energy: 1.4309661808269725
Energy: 1.6211594290756002
Energy: 1.3124839160572748
Energy: 1.4565551160587098
Energy: 1.4272415406590762
Energy: 1.2800134338995357
Energy: 1.3604174391661732
Energy: 1.314899150105926
Energy: 1.396077175161743
Energy: 1.5129356587962088
Energy: 1.506450603832984
Energy: 1.3346581952626775
Energy: 1.5064719237846114
Energy: 1.8792855047313652
Energy: 1.3303856472496065
Energy: 1.4344405280276038
Energy: 1.4140056930653948
Energy: 1.1527339825813485
Energy: 1.4289671272705837
Energy: 1.4156279747693201
Energy: 1.7082956680556318
Energy: 1.3262990693646057
Energy: 1.5520065028563206
Energy: 1.652091240487467
Energy: 1.3281547343415852
Energy: 1.555447173395436
Energy: 1.3258197441674022
Energy: 1.198763838332431
Energy: 1.4507497544672345
Energy: 1.3432029515728552
Energy: 1.444875062019461
Energy: 1.4298505443763803
Energy: 1.2939292059918186
Energy: 1.1993221596855324
Energy: 1.305569914850572
Energy: 1.2960927456981073
Energy: 1.2027014258633466
Energy: 1.3805047269092747
Energy: 1.0997511911958562
Energy: 1.2176809640376047
Energy: 1.300280303461881
Energy: 1.099923457415672
Energy: 1.2196487412644006
Energy: 1.3678436431813874

minimum gb energy = 1.099629498516044 eV
minimum distance =  2.52937856219636 Angstroms
sigma value = 9


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

Energy: 2.0600975362408973
Energy: 2.001217597032333
Energy: 1.727893643329651
Energy: 2.0641050568765866
Energy: 2.1330120639411727
Energy: 1.880690425690631
Energy: 1.5685901078596354
Energy: 1.5326855096376801
Energy: 1.4745512885257321
Energy: 1.5692503188628169
Energy: 1.5138577226937158
Energy: 1.4827398086776058
Energy: 1.5120558994964906
Energy: 1.5150739616707722
Energy: 1.5533390086819256
Energy: 1.5136339059553825
Energy: 1.5207548542363956
Energy: 1.5398845367474374
Energy: 1.5080146853806304
Energy: 1.4744951401221358
Energy: 1.4385033085375247
Energy: 1.5098661492861045
Energy: 1.4344067486470657
Energy: 1.4517510888285496
Energy: 1.4107683959743273
Energy: 1.3624236109815706
Energy: 1.4062902326941438
Energy: 1.4108513484805612
Energy: 1.348261238839955
Energy: 1.394174979042278
Energy: 1.329696071129248
Energy: 1.3671058127538716
Energy: 1.3404751770623913
Energy: 1.3142679007521127
Energy: 1.3560007954010633
Energy: 1.3675526855263258
Energy: 1.4875689481391814
Energy: 1.644576095371668
Energy: 1.4125863981904891
Energy: 1.470136899570758
Energy: 1.6457115515339042
Energy: 1.4139705344843811
Energy: 1.4802227537573143
Energy: 1.41475652717291
Energy: 1.4532116221797502
Energy: 1.481599141971487
Energy: 1.5113284845948414
Energy: 1.4674926982451786
Energy: 1.7738230560354697
Energy: 1.4939902504010587
Energy: 1.5257846211273316
Energy: 1.777665727527157
Energy: 1.5643543376448446
Energy: 1.5546700004191947
Energy: 1.805085235736513
Energy: 1.4894322266208186
Energy: 1.5307113918401303
Energy: 1.571992315425015
Energy: 1.484048275353074
Energy: 1.5686361264213577
Energy: 1.4232493964069786
Energy: 1.4242434179505303
Energy: 1.3951583565310919
Energy: 1.4246725152809885
Energy: 1.4004807405139998
Energy: 1.384387835623446
Energy: 1.3614959010945118
Energy: 1.4334133979033614
Energy: 1.4049194003982595
Energy: 1.3603057680828208
Energy: 1.3969069571863244
Energy: 1.4304171948685191
Energy: 1.6980262371179908
Energy: 1.43860347485386
Energy: 1.4878151437851848
Energy: 1.6062055215622566
Energy: 1.4546891934940993
Energy: 1.625228498420759
Energy: 1.6207720663864764
Energy: 1.526967427629078
Energy: 1.562320125288224
Energy: 1.6237944470586265
Energy: 1.5518136645703016
Energy: 1.5483291700427624
Energy: 1.582816448157608
Energy: 1.5794484063370897
Energy: 1.5887323121918067
Energy: 1.583988578147098
Energy: 1.6235377537765918
Energy: 1.5152698964282618
Energy: 1.669031715410113
Energy: 1.7428134570179834
Energy: 1.5507033936290608
Energy: 1.6692774173202676
Energy: 1.7699027192552976
Energy: 1.5385435502108524
Energy: 1.5506329090149782
Energy: 1.5080054414663344
Energy: 1.5088877855931748
Energy: 1.4231278946586632
Energy: 1.4985849923295025
Energy: 1.5122835903151937
Energy: 1.5507222706518335
Energy: 1.4185746636687449
Energy: 1.5169726960643408
Energy: 1.55053366196262
Energy: 1.4251667310872558
Energy: 1.549006137567921
Energy: 1.4594598722918977
Energy: 1.522962536979714
Energy: 1.5774374991938196
Energy: 1.4611109378431468
Energy: 1.4061817809118706
Energy: 1.577253408544244
Energy: 1.5012425396198705
Energy: 1.5163445243638185
Energy: 1.517090696333699
Energy: 1.5017307400445883
Energy: 1.461566264295549
Energy: 1.5080209170124974
Energy: 1.7295773173916051
Energy: 1.5320558866658807
Energy: 1.5801501301863863
Energy: 1.5048841310281753
Energy: 1.563716012714332
Energy: 1.4263906925128744

minimum gb energy = 1.3142679007521127 eV
minimum distance =  2.52613557547822 Angstroms
sigma value = 27


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

Energy: 1.8685848838612211
Energy: 2.01535005443851
Energy: 1.6954346968336707
Energy: 1.8680942916783094
Energy: 2.0396655430365023
Energy: 1.7200497902899956
Energy: 1.7036853002108596
Energy: 1.6821164852569943
Energy: 1.6878888864712878
Energy: 1.7045994654677958
Energy: 1.710875678441607
Energy: 1.582239448598748
Energy: 1.5814944383782845
Energy: 1.524019170324803
Energy: 1.5408793165946066
Energy: 1.5442296356744325
Energy: 1.3440926620940825
Energy: 1.5675813997542793
Energy: 1.7228090835121235
Energy: 1.53758626224546
Energy: 1.544958729799667
Energy: 1.6608931182479334
Energy: 1.6053510546295366
Energy: 1.541506701191866
Energy: 1.347247642397496
Energy: 1.5482496952478266
Energy: 1.5475921594556041
Energy: 1.3487014685070267
Energy: 1.5481661854221078
Energy: 1.476169683939104
Energy: 1.4018516316068212
Energy: 1.5347625045258777
Energy: 1.5146951489823715
Energy: 1.4006024198339686
Energy: 1.4713019229043682
Energy: 1.4760088189824943
Energy: 1.5362014492592102
Energy: 1.6863513913953359
Energy: 1.619133769465033
Energy: 1.5374339302922402
Energy: 1.6832920409652783
Energy: 1.6146211538770234
Energy: 1.574221925717466
Energy: 1.5849882194415312
Energy: 1.4766732638757059
Energy: 1.6068188217121315
Energy: 1.729130769576469
Energy: 1.495858132393446
Energy: 1.648983746104571
Energy: 1.38594808181089
Energy: 1.3856847811118516
Energy: 1.5564945885371813
Energy: 1.528984379470837
Energy: 1.5951784792295174
Energy: 1.7913370760638212
Energy: 1.4601081158098383
Energy: 1.3989396019359446
Energy: 1.5881984164725176
Energy: 1.4423881209278053
Energy: 1.4698739313028917
Energy: 1.4590391316093527
Energy: 1.4403430512031252
Energy: 1.426938508094426
Energy: 1.4586154997039487
Energy: 1.3413856584000354
Energy: 1.4788621013680043
Energy: 1.5593558148169964
Energy: 1.4203417130340172
Energy: 1.476565842035712
Energy: 1.566839250634443
Energy: 1.394237110496591
Energy: 1.47759940288468
Energy: 1.676456061116485
Energy: 1.5740202210593779
Energy: 1.59713848443401
Energy: 1.6780194010993725
Energy: 1.5385962924024414
Energy: 1.6237974024509494
Energy: 1.6704087263845693
Energy: 1.528170064196778
Energy: 1.5681920956345967
Energy: 1.670714789900482
Energy: 1.5290207930059492
Energy: 1.602879025087125
Energy: 1.535042889078492
Energy: 1.4890141678029525
Energy: 1.5116104656321583
Energy: 1.5358297955434352
Energy: 1.4872554780695546
Energy: 1.6549477900312233
Energy: 1.492991192161575
Energy: 1.6236227900339133
Energy: 1.5538191830269565
Energy: 1.3638130816563314
Energy: 1.522591335627427
Energy: 1.3933987425574796
Energy: 1.3414739994509384
Energy: 1.5040689347069789
Energy: 1.4670483705395339
Energy: 1.3413324980531318
Energy: 1.478816710203448
Energy: 1.441344431690485
Energy: 1.5170578782659792
Energy: 1.4580680181610999
Energy: 1.4852145974271802
Energy: 1.3797121475809875
Energy: 1.4222055921261916
Energy: 1.4709683689425497
Energy: 1.63446033060435
Energy: 1.6766040800606525
Energy: 1.6111794703109936
Energy: 1.5415299681721493
Energy: 1.6759868905287132
Energy: 1.5931247088738787
Energy: 1.5324523990609857
Energy: 1.6762511070098562
Energy: 1.6120408856140758
Energy: 1.5322979245874204
Energy: 1.6761143675807233
Energy: 1.6113765043600012
Energy: 1.7800489363450311
Energy: 1.4482805797609177
Energy: 1.4683915066449174
Energy: 1.684505556905445
Energy: 1.5664063677633355
Energy: 1.5108156464077414
Energy: 1.3475151148687017
Energy: 1.5748012818077715
Energy: 1.6041243478673248
Energy: 1.3487904791818546
Energy: 1.5721545870541034
Energy: 1.6034030996545692
Energy: 1.8023059345081076
Energy: 1.5206036430469667
Energy: 1.5148778580246884
Energy: 1.603005568395267
Energy: 1.5149808543408465
Energy: 1.5811558101886782
Energy: 1.605731508011317
Energy: 1.528113956804705
Energy: 1.5659441414388795
Energy: 1.607321450614333
Energy: 1.5246829364210694
Energy: 1.5575102269962375
Energy: 2.090446148574462
Energy: 1.6808537759167719
Energy: 1.724269125687974
Energy: 1.8711719893195033
Energy: 1.674604527357862
Energy: 1.6593976182146022

minimum gb energy = 1.3413324980531318 eV
minimum distance =  2.51794222052159 Angstroms
sigma value = 19


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

Energy: 1.9826477070973352
Energy: 1.611324591258871
Energy: 1.882488191632433
Energy: 1.9855477756289244
Energy: 2.246693528138915
Energy: 1.965479330915668
Energy: 1.6847785444058303
Energy: 1.5035420348903734
Energy: 1.5131545998291454
Energy: 1.7234875331316444
Energy: 1.4904665589179704
Energy: 1.4846763242132306
Energy: 1.4777911073004044
Energy: 1.4966111939168036
Energy: 1.5112808468943295
Energy: 1.451560306609991
Energy: 1.4639499097213906
Energy: 1.5078206431146635
Energy: 1.5516161142263163
Energy: 1.5061928696413414
Energy: 1.4686606227538532
Energy: 1.4869460481327756
Energy: 1.4904772648676803
Energy: 1.467397698077202
Energy: 1.3490672457415502
Energy: 1.484444520205465
Energy: 1.5336807433788096
Energy: 1.352104559290811
Energy: 1.4830170065380786
Energy: 1.5408956824576714
Energy: 1.5630446859206724
Energy: 1.6263857415053076
Energy: 1.471627575660592
Energy: 1.571169533060588
Energy: 1.5694920904064171
Energy: 1.4729174134124108
Energy: 1.3626624278095052
Energy: 1.7100999119700555
Energy: 1.6439462650814067
Energy: 1.3630051755893504
Energy: 1.8875396367743351
Energy: 1.5805841546394888
Energy: 1.6450277626360406
Energy: 1.5044929772063236
Energy: 1.5104489876204001
Energy: 1.4955927010835337
Energy: 1.5619868994209456
Energy: 1.519479420193338
Energy: 1.3189352244512904
Energy: 1.438220951968705
Energy: 1.4442680159081887
Energy: 1.3195224570140855
Energy: 1.4054599842912852
Energy: 1.4330293262479015
Energy: 1.371964590191158
Energy: 1.4338987309173035
Energy: 1.4757847703804305
Energy: 1.4416008888986869
Energy: 1.4420244722688291
Energy: 1.448566155189166
Energy: 1.522167244045721
Energy: 1.652326233225153
Energy: 1.6354254570401627
Energy: 1.4919314102070451
Energy: 1.6140114889249684
Energy: 1.651834103794615
Energy: 1.51293373726889
Energy: 1.4592706178505102
Energy: 1.477058981557207
Energy: 1.438170480106279
Energy: 1.4621491613619073
Energy: 1.4740324962416984
Energy: 1.7871670435293991
Energy: 1.340618086309501
Energy: 1.3306395600740384
Energy: 1.7902055727492308
Energy: 1.3326656369695582
Energy: 1.42372694378426
Energy: 1.752956098169206
Energy: 1.3906785081496043
Energy: 1.5029002713358741
Energy: 1.6085724021249161
Energy: 1.4006731414485207
Energy: 1.505010776346025
Energy: 1.3828023424823381
Energy: 1.3215694958421105
Energy: 1.4329652079907893
Energy: 1.3673287664565108
Energy: 1.2820599684719853
Energy: 1.422869188037576
Energy: 1.4546783424841265
Energy: 1.3831790932267538
Energy: 1.427807975868378
Energy: 1.4208464055667855
Energy: 1.3155925086780624
Energy: 1.450931862525203
Energy: 1.6786318948539298
Energy: 1.4024853602557001
Energy: 1.4236469984429916
Energy: 1.6804945846298247
Energy: 1.3956782422624008
Energy: 1.5002138733997354
Energy: 1.7108404581468668
Energy: 1.4088161356450786
Energy: 1.488610687233596
Energy: 1.506691179881764
Energy: 1.4204394317976448
Energy: 1.4655341989519004
Energy: 1.3923765676994604
Energy: 1.494802934631299
Energy: 1.5968361425379016
Energy: 1.394729341003432
Energy: 1.4762753002139406
Energy: 1.4361509413373206
Energy: 1.4110551830619347
Energy: 1.5650329650401076
Energy: 1.6221653626286177
Energy: 1.413603601561077
Energy: 1.564513457223037
Energy: 1.4321220771851508
Energy: 1.291688263239747
Energy: 1.3883404063926594
Energy: 1.446162396436044
Energy: 1.2914830622722722
Energy: 1.3882753283925524
Energy: 1.4340746384620515
Energy: 1.345539185285912
Energy: 1.4467090716762219
Energy: 1.4607624872690015
Energy: 1.3449240274605914
Energy: 1.4152428163154311
Energy: 1.440574795479099
Energy: 1.3597228380645838
Energy: 1.6129182993194005
Energy: 1.5318819473019643
Energy: 1.3599459131215352
Energy: 1.6168333409863958
Energy: 1.3790975487363837
Energy: 1.4542983778480183
Energy: 1.5346325493040622
Energy: 1.52601428909065
Energy: 1.353190286649676
Energy: 1.5671440352648733
Energy: 1.3818340160342073
Energy: 1.5453964560648572
Energy: 1.4240614696017144
Energy: 1.4819735287408697
Energy: 1.4570183268598957
Energy: 1.4414465925596238
Energy: 1.5063185027101735
Energy: 1.460439203845081
Energy: 1.4997052687254384
Energy: 1.4740063349290375
Energy: 1.4619028967977585
Energy: 1.4974616763616306
Energy: 1.5177163000814238
Energy: 1.4460547374553685
Energy: 1.4005320931857566
Energy: 1.4400894011903465
Energy: 1.4296883255775814
Energy: 1.35463388204678
Energy: 1.476788984486421
Energy: 1.5070247406510782
Energy: 1.3511356518593947
Energy: 1.4345362300285944
Energy: 1.4844059486502228
Energy: 1.3510752544335556
Energy: 1.460103151916387
Energy: 1.8501343192062496
Energy: 1.4605721977961958
Energy: 1.5164857231301319
Energy: 1.6022023158689507
Energy: 1.387548961555425
Energy: 1.3929467532413078

minimum gb energy = 1.2820599684719853 eV
minimum distance =  2.53131380296054 Angstroms
sigma value = 101


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

Energy: 1.857602220517071
Energy: 1.6184107941329655
Energy: 1.918241703402568
Energy: 1.8602825497620057
Energy: 2.159955939789154
Energy: 1.7051159844875046
Energy: 1.6474695302963263
Energy: 1.4067157014015201
Energy: 1.4715059545463944
Energy: 1.648128283859908
Energy: 1.3444412727663475
Energy: 1.445343381275435
Energy: 1.4769027215644306
Energy: 1.5226218358275536
Energy: 1.5513797836767123
Energy: 1.4785248130886117
Energy: 1.4766909480457895
Energy: 1.447485313561965
Energy: 1.4342808100630922
Energy: 1.4616055094585536
Energy: 1.3969734457338217
Energy: 1.4937968114552376
Energy: 1.4582618735484394
Energy: 1.3912034191157736
Energy: 1.2579892903924235
Energy: 1.5029288395487455
Energy: 1.614880562077005
Energy: 1.2607730664446681
Energy: 1.5075973630534276
Energy: 1.4110863476848297
Energy: 1.4022243526193445
Energy: 1.4588327694059333
Energy: 1.413300162831081
Energy: 1.4022376345003762
Energy: 1.5757307334458452
Energy: 1.4130280711129444
Energy: 1.3952770765260765
Energy: 1.8885819360880192
Energy: 1.9205810582803684
Energy: 1.395021415154867
Energy: 1.8880005141410776
Energy: 1.7858028199329692
Energy: 1.3912481736189979
Energy: 1.445326472120036
Energy: 1.4139849659409756
Energy: 1.4790584036111083
Energy: 1.4548979642696058
Energy: 1.4712597916765582
Energy: 1.235310602513718
Energy: 1.4693017859433302
Energy: 1.4435803480493186
Energy: 1.2371873560597142
Energy: 1.4165281696187633
Energy: 1.3897647819920231
Energy: 1.2313774608196428
Energy: 1.4591508467795367
Energy: 1.4373248625226172
Energy: 1.2312469428882282
Energy: 1.4363976397493812
Energy: 1.4047142887737172
Energy: 1.573381919472196
Energy: 1.7555708841274429
Energy: 1.7500357918306655
Energy: 1.5320608644499443
Energy: 1.75952158261235
Energy: 1.6583494897246684
Energy: 1.4505841255871
Energy: 1.449883223199595
Energy: 1.42719905337911
Energy: 1.413762430382491
Energy: 1.432170295818222
Energy: 1.4061401301406224
Energy: 1.572198790681409
Energy: 1.404609821392794
Energy: 1.4426433871667443
Energy: 1.5737361800080423
Energy: 1.409355690013303
Energy: 1.5162575036001944
Energy: 1.722531908392129
Energy: 1.4060060008867035
Energy: 1.427499368392206
Energy: 1.4613066798449035
Energy: 1.5764857123566611
Energy: 1.4440291593544177
Energy: 1.3847989435600463
Energy: 1.2900040630008107
Energy: 1.4086438040467293
Energy: 1.3870075009018406
Energy: 1.2363445814149707
Energy: 1.4095329325534092
Energy: 1.5373629025957938
Energy: 1.3075445158196957
Energy: 1.368096404429921
Energy: 1.5367186447977337
Energy: 1.3716411092137537
Energy: 1.4105961829440739
Energy: 1.8698492196000474
Energy: 1.3731846853947052
Energy: 1.3860423008031897
Energy: 1.862456036486422
Energy: 1.3999986011277208
Energy: 1.7303874918951252
Energy: 1.4529043023400283
Energy: 1.4962590827209854
Energy: 1.434727465615595
Energy: 1.4532845121078994
Energy: 1.5127081149062784
Energy: 1.483820150359153
Energy: 1.478232974427459
Energy: 1.5461197450781619
Energy: 1.5818752195035228
Energy: 1.4768831474187272
Energy: 1.307622237972076
Energy: 1.5808216377565856
Energy: 1.4933168916581918
Energy: 1.5240396593284649
Energy: 1.5572245868069488
Energy: 1.5056849443676468
Energy: 1.5314304370658949
Energy: 1.5089469905954975
Energy: 1.2612394187609757
Energy: 1.4590298583331371
Energy: 1.4928822528166452
Energy: 1.263430932092291
Energy: 1.4622420130104532
Energy: 1.4169467280368886
Energy: 1.4035870206401413
Energy: 1.474420372457184
Energy: 1.4440250554748637
Energy: 1.3277457803088926
Energy: 1.5448698428878032
Energy: 1.4154940546124954
Energy: 1.3938359321275122
Energy: 1.55280424773994
Energy: 1.5321818988218425
Energy: 1.3690162386802929
Energy: 1.606627338992992
Energy: 1.5328711134649649
Energy: 1.4632034002623628
Energy: 1.4492334123209671
Energy: 1.5796376846419613
Energy: 1.4634298522026477
Energy: 1.48829560226808
Energy: 1.4375732533486818
Energy: 1.2309691785959895
Energy: 1.4153171092933845
Energy: 1.4110083360462382
Energy: 1.2313008924552173
Energy: 1.4658438099218525
Energy: 1.3877262395854664
Energy: 1.2307126537628272
Energy: 1.4058464328043077
Energy: 1.4515836376802218
Energy: 1.2312902510742514
Energy: 1.4102135060405014
Energy: 1.4364005061574303
Energy: 1.4953099913113777
Energy: 1.6670537194857955
Energy: 1.6880777719339144
Energy: 1.4969619002739443
Energy: 1.6818750625689645
Energy: 1.6595067592609116
Energy: 1.4310504890153029
Energy: 1.411907642973097
Energy: 1.4667224931326648
Energy: 1.4326267270642208
Energy: 1.6777811883996612
Energy: 1.4743551965716513
Energy: 1.4810648208770005
Energy: 1.4048314297387354
Energy: 1.4423122843642933
Energy: 1.4786560491893024
Energy: 1.4069050329142747
Energy: 1.4705766755950629
Energy: 1.562018607646771
Energy: 1.4176506539919564
Energy: 1.4258401038019115
Energy: 1.5637954157439644
Energy: 1.449414654182132
Energy: 1.4655717056827566
Energy: 1.3999451839510533
Energy: 1.2872249339332824
Energy: 1.4132542197341798
Energy: 1.3994193320150161
Energy: 1.2322122875265866
Energy: 1.4305199648886986
Energy: 1.536178274005795
Energy: 1.3074674617523019
Energy: 1.3745361770048345
Energy: 1.536813507514953
Energy: 1.3068351062710766
Energy: 1.4405577621077752
Energy: 1.7515753469346629
Energy: 1.3898013632051518
Energy: 1.4292810062377224
Energy: 1.7515882414500203
Energy: 1.439793144567614
Energy: 1.4538301654934322

minimum gb energy = 1.2307126537628272 eV
minimum distance =  2.51850930275823 Angstroms
sigma value = 33


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

Energy: 0.02144315001467019
Energy: 0.8893997161273839
Energy: 0.023402951561144605
Energy: 0.024459638714236582
Energy: 0.8869247376060982
Energy: 0.022114723737233687
Energy: 0.8018388361707952
Energy: 0.13589227872685775
Energy: 0.1334292333026823
Energy: 0.13354210157545132
Energy: 0.13308438846411588
Energy: 0.13305891258510888
Energy: 1.548740664797171
Energy: 0.8849563871518753
Energy: 0.8829260750330744
Energy: 0.8819791928332952
Energy: 1.3790340015316296
Energy: 0.8840281046564029
Energy: 0.0224944049073849
Energy: 0.13589227872652201
Energy: 0.13342923330230463
Energy: 0.13354210157469595
Energy: 0.1330843884637382
Energy: 0.13305891258473118

minimum gb energy = 0.02144315001467019 eV
minimum distance =  2.73564580861854 Angstroms
sigma value = 1