Model name: model_name=SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.459976688027382
cohesive_energy=12.679847835460636
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.0283170181170498e-18, 1.2775019478264358e-18, 1.4211819440102879e-18, 1.523428050262266e-18, 1.6017648746050619e-18, 1.6629952590266398e-18, 1.71170142870024e-18, 1.7517878880829197e-18, 1.78612253334954e-18, 1.81669206352626e-18, 1.84463402402322e-18, 1.87058928549402e-18, 1.89479817443376e-18, 1.91735682144048e-18, 1.93816909591614e-18, 1.95715488902904e-18, 1.97418602664846e-18, 1.98915035641002e-18, 2.0019517477156798e-18, 2.01251009173374e-18, 2.0207452796325e-18, 2.02665731141196e-18, 2.0301981217731e-18, 2.03138373248226e-18, 2.03006994764238e-18, 2.02576009249692e-18, 2.0177972746259398e-18, 2.0053643839461e-18, 1.98748409271066e-18, 1.9629868119768e-18, 1.9304626263065996e-18, 1.88818118493534e-18, 1.83413976707052e-18, 1.7659190859948e-18, 1.6807473761313598e-18, 1.5752953144347479e-18, 1.4456519877413699e-18, 1.286993242206252e-18, 1.0931458912585919e-18, 8.559228122986499e-19, 5.64132801537936e-19, 2.0228761745557198e-19, -2.51291791983096e-19, -8.27527435814268e-19, -1.5712370010208257e-18, -2.54879065466622e-18, -3.8626716251442595e-18, -5.6813984529957e-18, -8.295846306123239e-18, -1.22194807521912e-17, -1.8392186670003e-17, -2.87600318862804e-17, -4.8016432632662994e-17, -8.961775002279e-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: 0.052806237193786174
Energy: 1.0740932079401915
Energy: 1.0768377700259166
Energy: 1.0753299581752642
Energy: 1.0789767026495032
Energy: 0.053001018374725976
Energy: 1.0740938484694764
Energy: -2.387935423941523
Energy: 1.0746191468830786
Energy: 1.073813838882778
Energy: 1.0753237164492047
Energy: 1.0747913985890727
Energy: 1.0768423305046921
Energy: 1.0746238741793905
Energy: -2.346389587266219
Energy: 0.05316439788994843
Energy: 1.0748492852097482
Energy: 1.0746042233998638
Energy: 1.0753151024239365
Energy: 1.073826444421694
Energy: 0.05316412195241146
Energy: 0.05347813243481981
Energy: 1.074504527040575
Energy: 1.0742792260436627
Energy: 1.076164314796734
Energy: 1.0753086176895865
Energy: 1.07327142450412
Energy: 1.0745045070183772
Energy: -2.350226461107598
Energy: 1.0737065233072354
Energy: 0.053002342728063
Energy: 1.076653305119316
Energy: 1.0745793127564358
Energy: 1.0741634589447198
Energy: 1.0736559403707937
Energy: 0.05334862150250153

minimum gb energy = -2.387935423941523 eV
minimum distance =  2.12933381964443 Angstroms
sigma value = 1


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

Energy: 5.401875397741111
Energy: 5.211184265883919
Energy: 5.212206970779462
Energy: 5.667652543134476
Energy: 5.211142357675787
Energy: 4.770710999411119
Energy: 5.436801050285938
Energy: 4.890838430497051
Energy: 5.210281336811114
Energy: 5.436954187974936
Energy: 5.215426253010752
Energy: 5.20093133510377
Energy: 5.429789867970685
Energy: 5.211720936948435
Energy: 4.894323383889471
Energy: 5.395852520024534
Energy: 5.199410874713848
Energy: 5.212920568622194
Energy: 5.657055001765983
Energy: 5.213215307479408
Energy: 5.034456370844258
Energy: 5.417238179442319
Energy: 5.214320332367143
Energy: 5.216152233817412
Energy: 5.436375800512511
Energy: 5.210670656425139
Energy: 5.197655438726068
Energy: 5.440536386805699
Energy: 4.8924760385755794
Energy: 5.231111036231612
Energy: 5.429359541368234
Energy: 4.982054743235662
Energy: 4.996742163260059
Energy: 5.19279885609513
Energy: 5.013407684470108
Energy: 4.981364787278871
Energy: 5.426103418274387
Energy: 4.9815181686506795
Energy: 4.994454470696443
Energy: 5.735467689196731
Energy: 5.008475177971412
Energy: 4.980072989892802
Energy: 5.4473576852011725
Energy: 5.462924506566864
Energy: 5.214627876634102
Energy: 5.430266215007324
Energy: 5.012046722390584
Energy: 5.461574178432838
Energy: 5.412303053030276
Energy: 4.983885463122054
Energy: 4.994735383754252
Energy: 5.195952015405702
Energy: 5.002242925241645
Energy: 5.515716489247207
Energy: 5.41119588523639
Energy: 4.985639098956854
Energy: 4.988041886533614
Energy: 5.196168670674259
Energy: 5.000678381654857
Energy: 5.161958885984221
Energy: 5.43679490833997
Energy: 5.20206936766046
Energy: 5.199468723377248
Energy: 5.439411811950267
Energy: 5.198689187337403
Energy: 5.44970282473197
Energy: 5.656393768579791
Energy: 5.196399467297919
Energy: 4.77025146525483
Energy: 5.418105525484192
Energy: 5.214242038240705
Energy: 5.200951416467238
Energy: 5.729080619033445
Energy: 5.19802593855904
Energy: 4.77039840173055
Energy: 5.4153566762386625
Energy: 5.213344507404291
Energy: 5.20208061966036
Energy: 5.432302424136621
Energy: 5.198746613958978
Energy: 5.221454419819923
Energy: 5.436813433161833
Energy: 5.202710306680316
Energy: 5.222308020222612
Energy: 5.424078557568801
Energy: 5.212847696383942
Energy: 5.2153410751955285
Energy: 5.2153957173299865
Energy: 5.215137892849086
Energy: 5.033722997860133
Energy: 5.395837877067004
Energy: 5.201426541742593
Energy: 5.211272845729074
Energy: 5.233865222591945
Energy: 5.2106804204956285
Energy: 5.184851687992589
Energy: 5.428114126772205
Energy: 5.207979130231772
Energy: 5.451028092303363
Energy: 5.43418820751165
Energy: 4.986892520630318
Energy: 5.19759959631959
Energy: 5.6866526592267075
Energy: 5.008519756264291
Energy: 4.980734880113786
Energy: 4.9831210403776485
Energy: 4.982933356222939
Energy: 4.988211902223276
Energy: 5.702768412977283
Energy: 5.007864701763828
Energy: 5.519533114020361
Energy: 5.465401623046615
Energy: 4.985352021399592
Energy: 4.984682481415415
Energy: 5.441730256652272
Energy: 4.995801609823332
Energy: 5.4575507749213825
Energy: 5.4331379861022775
Energy: 4.989008079740804
Energy: 5.2185944558361586
Energy: 5.668966884357926
Energy: 4.997623545026314
Energy: 5.164648837159325
Energy: 5.182698794257775
Energy: 4.985336109271078
Energy: 4.98387195172639
Energy: 5.426208901020288
Energy: 4.99394073791915
Energy: 4.982387846692572
Energy: 5.410285029891781
Energy: 4.987054560740335
Energy: 5.215204217304745
Energy: 5.414532268843411
Energy: 4.890142308181492
Energy: 5.209212920756965
Energy: 5.698921461057037
Energy: 5.216357547398088
Energy: 5.191237494016718

minimum gb energy = 4.77025146525483 eV
minimum distance =  1.96572759318141 Angstroms
sigma value = 33


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

Energy: 5.701578826036912
Energy: 5.680569245352692
Energy: 5.680256017585923
Energy: 5.692456497384202
Energy: 5.680643395623643
Energy: 5.08254120081821
Energy: 5.730380941871482
Energy: 5.337838820291072
Energy: 5.685150611419182
Energy: 5.729842812553806
Energy: 5.689208584720668
Energy: 5.343195273360801
Energy: 5.726010881417341
Energy: 5.338012216645376
Energy: 5.519776351716353
Energy: 5.722818918676551
Energy: 5.332127822413838
Energy: 5.353585910540536
Energy: 6.35729058969218
Energy: 5.3407949895816955
Energy: 5.339809895541566
Energy: 5.7234891826493195
Energy: 5.336684541749027
Energy: 5.353739662072178
Energy: 6.107624353124522
Energy: 5.346354966505849
Energy: 5.706242369092153
Energy: 6.107398270614155
Energy: 5.518410867160134
Energy: 5.363197862932441
Energy: 5.727896133917881
Energy: 5.259276627549107
Energy: 5.85175415366471
Energy: 5.7130024359149205
Energy: 5.266004507009263
Energy: 5.259849158614149
Energy: 5.937478528366743
Energy: 5.258866055989408
Energy: 5.258417167668313
Energy: 5.266828192816419
Energy: 5.269055970638792
Energy: 5.256079756866742
Energy: 5.728889199467479
Energy: 5.690216343511908
Energy: 5.681924109215774
Energy: 5.730479859001238
Energy: 5.262251732992106
Energy: 5.689029256606819
Energy: 5.702029290451296
Energy: 5.333286545778459
Energy: 5.344395121910427
Energy: 5.339227355394987
Energy: 5.33619737384237
Energy: 5.7200713056088315
Energy: 5.670070315737592
Energy: 5.336432526407297
Energy: 5.346578997477058
Energy: 5.337846042766531
Energy: 5.338950754335883
Energy: 5.040379230021762
Energy: 5.720192901216209
Energy: 5.70412336421161
Energy: 5.349639423573616
Energy: 5.719589624884865
Energy: 5.339215532907073
Energy: 5.7103046698601805
Energy: 5.717171525631273
Energy: 5.70043678772433
Energy: 5.690747630969913
Energy: 5.7124025281808235
Energy: 5.688627815105245
Energy: 5.7093999401285425
Energy: 5.918866802581736
Energy: 5.693666995192013
Energy: 5.690496985477513
Energy: 5.676556449979488
Energy: 5.6885530156301
Energy: 5.696211534361734
Energy: 5.746603913567728
Energy: 5.907353313241527
Energy: 5.347964268588041
Energy: 5.722892976981274
Energy: 5.339295268364691
Energy: 5.762030204453497
Energy: 5.923179671409997
Energy: 5.145873576192208
Energy: 5.156968313507337
Energy: 5.340847258317374
Energy: 5.176901749340973
Energy: 5.144343658453253
Energy: 5.890922088736292
Energy: 5.146375116339176
Energy: 5.156844537391041
Energy: 5.332219237802353
Energy: 5.1746955352427895
Energy: 5.759247291008371
Energy: 5.748131378381328
Energy: 5.756172310844075
Energy: 5.355438451356375
Energy: 5.727214648771597
Energy: 5.1764674541815126
Energy: 5.755503876580942
Energy: 5.695355796839956
Energy: 5.143069075511021
Energy: 5.15919913918172
Energy: 5.147784656744798
Energy: 5.166605297528036
Energy: 5.268550517987776
Energy: 5.697288141217607
Energy: 5.1453972062828175
Energy: 5.335484266241825
Energy: 5.344464418177799
Energy: 5.1692617098672615
Energy: 5.149716686812834
Energy: 5.762036243392585
Energy: 5.693752189508188
Energy: 5.346474289346754
Energy: 6.317945204050542
Energy: 5.336994469635906
Energy: 5.689349053891006
Energy: 5.892408958599967
Energy: 5.685855549991559
Energy: 5.578687165222281
Energy: 5.683039227594942
Energy: 5.6903269814831905
Energy: 5.6855489269527775
Energy: 5.7287830203883665
Energy: 5.6827542730541
Energy: 5.3405387719431445
Energy: 5.684945926637287
Energy: 5.6908521518879915
Energy: 5.681609977994228
Energy: 5.72333192648451
Energy: 5.517109920786384
Energy: 5.354230190177554
Energy: 5.723851457704967
Energy: 5.337097888598129
Energy: 5.720246529772751
Energy: 5.69173592916227
Energy: 5.3335247124421254
Energy: 5.35385660328925
Energy: 5.334461356563589
Energy: 5.334868759919383
Energy: 5.187918267753184
Energy: 5.720500118877674
Energy: 5.512809430443509
Energy: 5.350096596110326
Energy: 5.335131877678615
Energy: 5.33580664348402
Energy: 5.719218724003371
Energy: 5.730074507537125
Energy: 5.268425452622138
Energy: 5.262337999401444
Energy: 5.7123998267963225
Energy: 5.265672864983652
Energy: 5.685928908269318
Energy: 6.079219050106459
Energy: 5.262247811907618
Energy: 5.25572618080055
Energy: 5.737551107909144
Energy: 5.268949897886658
Energy: 5.251815676480814
Energy: 5.731365549729026
Energy: 5.265118108491567
Energy: 5.686150876504904
Energy: 5.729822729011984
Energy: 5.266951529019931
Energy: 5.68691103230063
Energy: 6.306206540288804
Energy: 5.339367053240886
Energy: 5.7198847597928415
Energy: 5.706869525360231
Energy: 5.333207704748244
Energy: 5.340782471760729
Energy: 6.313936557531147
Energy: 5.338316611396714
Energy: 5.033008718788589
Energy: 5.319242853578723
Energy: 5.33322213943888
Energy: 5.3435390010781045
Energy: 5.722011444692199
Energy: 5.340705677023793
Energy: 5.716551188568955
Energy: 6.107231517850257
Energy: 5.1652081153603575
Energy: 5.347759645484154
Energy: 5.698318745463895
Energy: 5.690320055902234
Energy: 5.684325298182775
Energy: 5.714202022780951
Energy: 5.682696211352945
Energy: 5.705861442933427
Energy: 5.659922351129849
Energy: 5.69826962254374
Energy: 5.695441143335986
Energy: 5.701683778914157
Energy: 5.697536826447876
Energy: 5.3598825214946055
Energy: 6.112271638659857
Energy: 5.337529329121502
Energy: 5.696581600077927
Energy: 5.7796888215378734
Energy: 5.696681621054285
Energy: 5.361241430373766
Energy: 6.113645697875227
Energy: 5.179186755560107
Energy: 5.1448394051991055
Energy: 5.705536959181122
Energy: 5.147819182642416
Energy: 5.352597999976169
Energy: 6.357513598610231
Energy: 5.177090637167641
Energy: 5.144176001437479
Energy: 5.90150241881349
Energy: 5.146320810495057
Energy: 5.147797600717138
Energy: 5.725759534817647
Energy: 5.345659248376945
Energy: 5.758620709378199
Energy: 5.7473593852126195
Energy: 5.759030644505485
Energy: 5.953822039889732
Energy: 6.359633272492439
Energy: 5.174418292245598
Energy: 5.144976098659635
Energy: 5.700335790886557
Energy: 5.145855409834984
Energy: 5.14791868762896
Energy: 6.115261908364179
Energy: 5.158451675897594
Energy: 5.142405681657152
Energy: 5.698117886152624
Energy: 5.1481671462172764
Energy: 5.349801812270368
Energy: 5.727694274953294
Energy: 5.343760460645784
Energy: 5.6934569983596
Energy: 5.760066292916739
Energy: 5.696441042589163
Energy: 5.365938740017327
Energy: 5.684099872841514
Energy: 5.690570159101249
Energy: 5.729645555483321
Energy: 5.689228418868843
Energy: 5.719725627980045
Energy: 5.08246919292612

minimum gb energy = 5.033008718788589 eV
minimum distance =  1.96088330543485 Angstroms
sigma value = 51


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

Energy: 10.485772919719041
Energy: 5.556899082573199
Energy: 5.552606249106231
Energy: 5.554649569102818
Energy: 5.558895310802435
Energy: 5.107580849228462
Energy: 6.295085592816366
Energy: 5.107263457240411
Energy: 5.554556860647288
Energy: 6.311418004764203
Energy: 5.56964930848746
Energy: 5.570602201596389
Energy: 6.311336810274561
Energy: 5.558805133108486
Energy: 5.119805577926025
Energy: 5.555785167389546
Energy: 5.557834982677556
Energy: 5.557029558304841
Energy: 6.294003235647795
Energy: 5.560186180053226
Energy: 5.564023849055286
Energy: 5.654622676250638
Energy: 5.56491514608896
Energy: 5.566884245754185
Energy: 6.302096975926419
Energy: 5.5711386070352615
Energy: 5.56082458217461
Energy: 6.2973684873790345
Energy: 5.113512235907732
Energy: 5.5641921086714445
Energy: 6.299627910868366
Energy: 5.111440132492267
Energy: 5.563049380704325
Energy: 6.311243812943243
Energy: 5.116277787210253
Energy: 5.113237449538119
Energy: 6.298541158638283
Energy: 5.111105806243367
Energy: 5.113033004660679
Energy: 5.12391668945014
Energy: 5.117382628100246
Energy: 5.11214832221681
Energy: 6.297724442230225
Energy: 5.561211672010446
Energy: 5.56247650243189
Energy: 6.308316298739124
Energy: 5.120152890748221
Energy: 5.54945987378895
Energy: 5.667510891860801
Energy: 5.551886116249945
Energy: 5.555845900247571
Energy: 5.558606778627185
Energy: 5.561270504609065
Energy: 5.6529178030146685
Energy: 5.656207703051004
Energy: 5.573183370008559
Energy: 5.559626971473656
Energy: 5.557548689682154
Energy: 5.560364931674754
Energy: 5.113167597547024
Energy: 6.308608484041399
Energy: 5.563000488494218
Energy: 5.5765206671162675
Energy: 6.310381252038954
Energy: 5.5711476296134785
Energy: 5.577854951563467
Energy: 6.304988674777811
Energy: 5.565375256871496
Energy: 5.555365781828339
Energy: 5.6501410461638395
Energy: 5.573496829730656
Energy: 5.56131196598161
Energy: 6.303780504140505
Energy: 5.561478741054681
Energy: 5.555996683911948
Energy: 5.641050225119188
Energy: 5.565092606910108
Energy: 5.551412477653762
Energy: 6.309727022384655
Energy: 5.559988051745906
Energy: 5.577267996839028
Energy: 6.307103643724868
Energy: 5.57421090456387
Energy: 5.557764886463166
Energy: 6.296895770389806
Energy: 5.111325636066162
Energy: 5.114312374376658
Energy: 5.10000762799576
Energy: 5.114146422777574
Energy: 5.111375823781799
Energy: 6.3005965199532925
Energy: 5.124578550958499
Energy: 5.112372964863908
Energy: 5.1032048497141
Energy: 5.117545345230499
Energy: 5.569997138064493
Energy: 6.293942552166651
Energy: 5.565121548251964
Energy: 5.5582295949620795
Energy: 6.317333354497426
Energy: 5.564614855078046
Energy: 5.5669972542805795
Energy: 5.655490635824906
Energy: 5.557216579210005
Energy: 5.568097756997818
Energy: 5.572372240077379
Energy: 5.575323663101892
Energy: 5.126334394768882

minimum gb energy = 5.10000762799576 eV
minimum distance =  1.96452973779806 Angstroms
sigma value = 19


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

Energy: 6.375156305310467
Energy: 6.416881422733526
Energy: 6.415953480948783
Energy: 6.622319935118451
Energy: 6.415678896162688
Energy: 6.272010571379366
Energy: 6.473309199524093
Energy: 5.696812510070627
Energy: 6.417603132549109
Energy: 6.3935409585132135
Energy: 6.2480398303198115
Energy: 5.6981426628907705
Energy: 6.468238741207223
Energy: 5.69928691835125
Energy: 5.762538537414875
Energy: 6.397327366961891
Energy: 5.68133358369441
Energy: 5.694415501434817
Energy: 6.593691615940966
Energy: 5.685789415539176
Energy: 5.684052747644473
Energy: 6.04530121549389
Energy: 5.683399197354212
Energy: 5.67816368410267
Energy: 6.468583418321352
Energy: 5.667654123297243
Energy: 6.251790441035122
Energy: 6.393658651785358
Energy: 5.772439366381477
Energy: 5.67853834836599
Energy: 6.592941704052772
Energy: 5.685747202066375
Energy: 6.258370777642843
Energy: 6.393235144685394
Energy: 5.639762218202236
Energy: 5.676966613888696
Energy: 6.459119069764526
Energy: 5.682702464923767
Energy: 4.977423581807604
Energy: 4.99831988556559
Energy: 5.679794543223599
Energy: 5.675551268239952
Energy: 6.471455991774162
Energy: 5.689553250878382
Energy: 6.249675774385457
Energy: 6.393566812445846
Energy: 4.810827801804202
Energy: 5.6896446158136245
Energy: 6.331662410711366
Energy: 6.245598614684324
Energy: 6.41879425313284
Energy: 6.395186724650898
Energy: 6.426270307848191
Energy: 5.6941553864565355
Energy: 6.332473986692771
Energy: 6.417529962252274
Energy: 6.423169995036467
Energy: 6.418280395008546
Energy: 6.423921477632939
Energy: 5.8029069203267465
Energy: 6.640747276671761
Energy: 5.684618365515359
Energy: 6.425643191387296
Energy: 6.471424698701477
Energy: 6.251205142092214
Energy: 5.6839739292783555
Energy: 6.467366387372485
Energy: 4.85505537943373
Energy: 4.837778600770208
Energy: 6.001756347040643
Energy: 4.921506763000071
Energy: 5.70621578966473
Energy: 6.7847189911531425
Energy: 4.903223712914266
Energy: 4.886698421480066
Energy: 6.000275232716261
Energy: 4.922818590609117
Energy: 4.916944699810164
Energy: 6.467427036538291
Energy: 4.9212807446001205
Energy: 5.677028989047745
Energy: 6.60237996410852
Energy: 5.650583960259078
Energy: 5.683461059573355
Energy: 6.472108471584531
Energy: 6.418206217545537
Energy: 5.672680888161989
Energy: 6.352664954075282
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Energy: 6.417600878651449
Energy: 6.480839697989802
Energy: 6.421918441690889
Energy: 6.280659450130797
Energy: 6.318048729432488
Energy: 6.485929205027383
Energy: 6.422271091228017
Energy: 6.381781026065467
Energy: 6.252016711392488
Energy: 5.677788353008308
Energy: 6.6302029202624295
Energy: 5.68916458869183
Energy: 6.420282449476235
Energy: 6.552834167436719
Energy: 5.684009776517369
Energy: 5.689132457439185
Energy: 6.472773023732954
Energy: 5.691190401806525
Energy: 4.90843716739737
Energy: 6.424027705227684
Energy: 5.661980847339282
Energy: 5.6818266731185645
Energy: 6.24561789064149
Energy: 5.6988487739935865
Energy: 5.758290293900794
Energy: 6.3802836344233596
Energy: 6.247428223315334
Energy: 5.700378513901221
Energy: 6.4724821489023245
Energy: 4.861790065516278
Energy: 6.24861788871578
Energy: 6.384861897215232
Energy: 5.682687724322446
Energy: 5.691160037338414
Energy: 5.678530601920815
Energy: 5.693091343870645
Energy: 6.249173294467626
Energy: 6.3647488890569965
Energy: 5.6896077068471875
Energy: 5.685284568366535
Energy: 6.467957289357561
Energy: 5.6898078576005116
Energy: 5.001754628383144
Energy: 6.389774505675014
Energy: 6.252335521795041
Energy: 5.685843989473653
Energy: 6.625303200385735
Energy: 5.665651828403923
Energy: 6.422601455853328
Energy: 6.474503847840219
Energy: 6.41686676722711
Energy: 5.812983875527135
Energy: 6.329571509340021
Energy: 6.414696728665766
Energy: 6.419592147961516
Energy: 6.475866946852145
Energy: 6.417046922975967
Energy: 4.876069911459763
Energy: 6.330954071165434
Energy: 6.250432129340279
Energy: 6.420043381064893
Energy: 6.473672377996757
Energy: 5.695319125681027
Energy: 5.675098631134172
Energy: 6.623487727014728
Energy: 5.672764885105986
Energy: 6.422359243058778
Energy: 6.596012926503723
Energy: 4.903391146891572
Energy: 4.914114847860669
Energy: 6.626719102315952
Energy: 4.906607067011466
Energy: 4.913751428368973
Energy: 6.474355961809421
Energy: 4.923171347651427
Energy: 4.924889455025243
Energy: 4.952332091180783
Energy: 4.935032859369841
Energy: 5.712680058016576
Energy: 6.630385813373971
Energy: 5.660954689854407
Energy: 6.2513127610623
Energy: 6.473288821128267
Energy: 6.250994302937946
Energy: 5.673529515758351
Energy: 6.316879114752114
Energy: 6.250084216502513
Energy: 6.417823589779787
Energy: 6.479466610482755
Energy: 6.419471196440764
Energy: 4.945127904704398

minimum gb energy = 4.810827801804202 eV
minimum distance =  1.9786194231943 Angstroms
sigma value = 27


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

Energy: 7.802839901477099
Energy: 5.695914787845614
Energy: 5.710687467367692
Energy: 6.568966151983867
Energy: 5.711594691577733
Energy: 4.274218407717344
Energy: 6.573333019353909
Energy: 3.9977959062283133
Energy: 5.726095482023525
Energy: 6.554768852202594
Energy: 4.040419362984752
Energy: 5.721523984264899
Energy: 6.595720249663088
Energy: 5.76468712169601
Energy: 4.094632869482097
Energy: 6.569630664534985
Energy: 4.07485937349463
Energy: 5.721155303911106
Energy: 6.7459767594955595
Energy: 5.710293218422216
Energy: 5.705854794878605
Energy: 5.706634325800714
Energy: 5.7052854796737655
Energy: 5.710823723523646
Energy: 6.564165879141183
Energy: 3.7963156954337656
Energy: 4.088405880932419
Energy: 6.568349553628809
Energy: 4.0896706537919325
Energy: 5.707716106575542
Energy: 6.5816517381555935
Energy: 5.7100997980676
Energy: 4.093514138595201
Energy: 6.580347311545514
Energy: 3.9128757919794035
Energy: 5.7141696847119565
Energy: 6.569237960380944
Energy: 5.711285251687667
Energy: 4.286440793304832
Energy: 4.185096686050973
Energy: 5.698120168998418
Energy: 5.709187482504256
Energy: 6.547487908248186
Energy: 5.716001334923082
Energy: 3.815956880158558
Energy: 6.581062340053259
Energy: 4.080048661105368
Energy: 5.7245279954741575
Energy: 6.567948011320632
Energy: 4.092748989020828
Energy: 5.756436328778442
Energy: 6.593204023198859
Energy: 5.712356400758367
Energy: 4.097522804403614
Energy: 6.751878959725069
Energy: 5.703675523538846
Energy: 5.712345001855261
Energy: 5.708064269097226
Energy: 5.70798045770229
Energy: 5.7638319657069745
Energy: 6.567134436900556
Energy: 4.09453098055447
Energy: 5.7084154201820025
Energy: 6.5703213027090115
Energy: 4.069407517788933
Energy: 4.074873863887186
Energy: 6.564352290399176
Energy: 4.004321408903434
Energy: 5.718073228511634
Energy: 6.578394741277403
Energy: 4.09413947033119
Energy: 4.09611048422248

minimum gb energy = 3.7963156954337656 eV
minimum distance =  1.98269571660043 Angstroms
sigma value = 9


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

Energy: 6.694528583294432
Energy: 6.428548441507605
Energy: 6.429043103295109
Energy: 6.261220342027688
Energy: 6.428581491579027
Energy: 6.151414483540704
Energy: 6.1736034446062265
Energy: 5.552128387934868
Energy: 6.385764051376598
Energy: 6.173237147446573
Energy: 6.407382985863419
Energy: 5.508510770583143
Energy: 6.157420809238609
Energy: 5.509264674393814
Energy: 5.486234622474816
Energy: 6.2795914325881235
Energy: 5.554604725543794
Energy: 6.095409755187902
Energy: 6.160703267892835
Energy: 5.507383234432783
Energy: 5.497329589482235
Energy: 6.200812622360111
Energy: 5.554063205008871
Energy: 5.480202876024286
Energy: 6.281792533143905
Energy: 5.504036220198132
Energy: 5.505659645939313
Energy: 6.1803343930315995
Energy: 5.551803035143138
Energy: 5.48460343944803
Energy: 6.180227541237226
Energy: 6.4350399040168105
Energy: 5.551873259414178
Energy: 6.176536938059233
Energy: 5.569855284001052
Energy: 6.382276215686037
Energy: 6.264351939107339
Energy: 6.427582669807962
Energy: 6.338248948371498
Energy: 5.948745628255791
Energy: 6.426546159870756
Energy: 6.4286620344550816
Energy: 6.182318081672753
Energy: 6.4354310205084415
Energy: 5.552194329175574
Energy: 6.174265953646982
Energy: 5.565927716765966
Energy: 6.382068016601213
Energy: 6.270240667280134
Energy: 5.850910868771064
Energy: 5.486791966548132
Energy: 6.1636171638273005
Energy: 5.526887805909658
Energy: 5.834148728140619
Energy: 6.232679585078745
Energy: 5.859498795002549
Energy: 5.840061710602177
Energy: 6.171091877618446
Energy: 5.840255424635573
Energy: 5.833960590079887
Energy: 6.193193822448779
Energy: 5.872147955783957
Energy: 5.508136804176153
Energy: 6.121106000987567
Energy: 5.8580408620005615
Energy: 5.839971034955684
Energy: 6.192399738184261
Energy: 5.855892136671766
Energy: 6.340453414071924
Energy: 6.1731513176641535
Energy: 6.332485188934437
Energy: 5.846464512038007
Energy: 6.535471795956789
Energy: 6.316619891296472
Energy: 6.336512355737393
Energy: 6.23438406269131
Energy: 6.315418523343557
Energy: 5.88250517609172
Energy: 6.255519091662726
Energy: 5.502532331784587
Energy: 6.3291672700659385
Energy: 6.244026879886513
Energy: 6.329342787697336
Energy: 5.846243771251718
Energy: 6.179239699796792
Energy: 5.51616335162988
Energy: 6.324843858751057
Energy: 6.237869684236376
Energy: 5.848636136783101
Energy: 6.135315930036775
Energy: 6.09444080542972
Energy: 6.328244763162282
Energy: 6.327653838867092
Energy: 6.241110366604686
Energy: 6.324833728400276
Energy: 6.136780038524485
Energy: 6.310266885136248
Energy: 5.890061690016396
Energy: 6.339120818884698
Energy: 6.250026223210177
Energy: 6.353583470581268
Energy: 6.139299059474531
Energy: 6.16391536298963
Energy: 5.89257444897465
Energy: 6.322624190615293
Energy: 6.167873723411422
Energy: 5.487887767513108
Energy: 5.861604359275475
Energy: 6.269965514504291
Energy: 5.865921463465841
Energy: 5.828833762833916
Energy: 5.603229716202106
Energy: 5.831792378817212
Energy: 5.820802655382309
Energy: 6.229797003348205
Energy: 5.885910271158828
Energy: 5.861431383167538
Energy: 6.1655274111139
Energy: 5.946866734805682
Energy: 5.834138661955758
Energy: 6.251675298107629
Energy: 6.1138338234976
Energy: 5.544718612111201
Energy: 6.167195264420782
Energy: 5.579386778687262
Energy: 6.266278362603216
Energy: 6.206581517765385
Energy: 6.424728453676731
Energy: 6.502611710591655
Energy: 6.286078461584456
Energy: 6.50244793314786
Energy: 6.4256956362527085
Energy: 6.2293921774846845
Energy: 6.38740986072646
Energy: 5.558446732073695
Energy: 6.287960104852518
Energy: 6.11545778011674
Energy: 6.372488639398968
Energy: 6.159610544661675
Energy: 5.505827407556409
Energy: 5.509674826571564
Energy: 6.172647175801934
Energy: 5.555926018168718
Energy: 6.435773617989625
Energy: 6.525660858366821
Energy: 5.508096297238655
Energy: 5.50033309983114
Energy: 6.16206282133851
Energy: 5.5542347563535674
Energy: 5.48495037373656
Energy: 6.15849162942718
Energy: 5.506635074237687
Energy: 5.481544284931641
Energy: 6.171415283255553
Energy: 5.550733318730966
Energy: 6.107670513018819
Energy: 6.175601937663827
Energy: 5.544375620017589
Energy: 6.434321439246315
Energy: 6.16338769800804
Energy: 5.508409814108752
Energy: 6.13021503186053
Energy: 6.129422826798711
Energy: 6.095860738007857
Energy: 6.425048299168051
Energy: 6.242009589097321
Energy: 6.426707955356787
Energy: 6.355389361610263
Energy: 6.24108621422866
Energy: 5.556481264680301
Energy: 6.377791930895055
Energy: 6.190582712433617
Energy: 6.433727941392944
Energy: 5.920299266259446
Energy: 6.174423289517428
Energy: 5.548432721558369
Energy: 5.827190464191473
Energy: 6.265706228640474
Energy: 5.849750072456594
Energy: 6.355466403784673
Energy: 6.1176863117934905
Energy: 5.9655374410157735
Energy: 5.8690240447578255
Energy: 5.8337339217985615
Energy: 5.883105939185394
Energy: 5.876215727592299
Energy: 6.1221182932118285
Energy: 5.834287196055403
Energy: 5.837402436000994
Energy: 6.261582695458153
Energy: 5.856102240794567
Energy: 5.556967747057013
Energy: 6.191206185984331
Energy: 6.320006463062031
Energy: 5.8507764276004
Energy: 6.178278725453295
Energy: 5.8498371128414535
Energy: 6.3375444058135875
Energy: 6.239563922191067
Energy: 6.321795371802068
Energy: 6.327226721106579
Energy: 6.226729134508289
Energy: 6.326928982598458
Energy: 6.345397098747899
Energy: 6.240645181145194
Energy: 6.356567835112812
Energy: 5.942464407343868
Energy: 6.1415826399508395
Energy: 6.370715417002237
Energy: 6.340682546306287
Energy: 6.232220698853295
Energy: 6.12188556618658
Energy: 5.548055579921697
Energy: 6.170871024458433
Energy: 5.56165122405982
Energy: 6.251797168321369
Energy: 6.307101075962583
Energy: 6.383761993254963
Energy: 5.505408806717289
Energy: 6.308720398158668
Energy: 6.350557699931705
Energy: 6.378877603674708
Energy: 6.240075267964659
Energy: 6.322468091148762
Energy: 6.1268473980181115
Energy: 6.475373628133228
Energy: 6.3235462221887735
Energy: 6.326962382789544
Energy: 6.193374191642792
Energy: 6.321617483928295
Energy: 5.857843873371982
Energy: 6.180910732410234
Energy: 5.870626517483513
Energy: 6.3303968264805
Energy: 6.5107721740785705
Energy: 5.837100311529028
Energy: 5.8417561554322255
Energy: 6.25858994482688
Energy: 5.876277464811207
Energy: 5.836573461450337
Energy: 6.161766267280682
Energy: 5.856146316390739
Energy: 5.866224299916285
Energy: 6.063468092249768
Energy: 5.8978319702013335
Energy: 5.881588094757445
Energy: 6.160959911610611
Energy: 5.550086129160135
Energy: 5.835934706803076
Energy: 6.267218482805553
Energy: 5.863052036593377
Energy: 6.354603144512065
Energy: 6.289138611893918
Energy: 5.567280734038103
Energy: 6.384410507785144
Energy: 6.188648936653309
Energy: 6.401740597696554
Energy: 5.558789571575442

minimum gb energy = 5.480202876024286 eV
minimum distance =  1.95594436673943 Angstroms
sigma value = 57


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

Energy: 11.309736124882361
Energy: 5.741595318380798
Energy: 5.745834297075408
Energy: 5.5215284662293715
Energy: 5.743593970936427
Energy: 5.785126911575874
Energy: 5.531518510223515
Energy: 5.819728319250345
Energy: 5.740270729899035
Energy: 5.645279663811101
Energy: 5.7553476429220485
Energy: 5.732676492600458
Energy: 5.632975804596439
Energy: 5.801392775735566
Energy: 5.806117992053936
Energy: 5.544584891011568
Energy: 5.801261947780518
Energy: 5.747231057900826
Energy: 5.4904425927510205
Energy: 5.7988161885215055
Energy: 5.79842397130435
Energy: 5.522703228849127
Energy: 5.795988909931366
Energy: 5.496827114579081
Energy: 5.490788637257085
Energy: 5.7998017550556265
Energy: 5.757795767633923
Energy: 5.660567712818663
Energy: 5.800269913124608
Energy: 5.75147514978956
Energy: 5.659927420787835
Energy: 5.744786445834092
Energy: 5.812181228653259
Energy: 5.541046289364029
Energy: 5.754536560124432
Energy: 5.751512416133198
Energy: 5.518558138107001
Energy: 5.742595015053593
Energy: 5.74106290186745
Energy: 6.003485746224672
Energy: 5.741676069790659
Energy: 5.749325555274319
Energy: 5.555984760431311
Energy: 5.747191859464231
Energy: 5.814098302102834
Energy: 5.615904449703298
Energy: 5.757897455174275
Energy: 5.747099451660665
Energy: 5.530795448833475
Energy: 5.739318554452719
Energy: 5.769810579753616
Energy: 5.622202417484631
Energy: 5.734855753236845
Energy: 5.5381985804606835
Energy: 5.527760416401912
Energy: 5.75009623653585
Energy: 5.8143354178224325
Energy: 5.487997979975866
Energy: 5.748296520945084
Energy: 5.540252119095654
Energy: 5.541553664469705
Energy: 5.7481393839299395
Energy: 5.78048763567983
Energy: 5.484794654348891
Energy: 5.775819733799965
Energy: 5.538997623368808
Energy: 5.5345246551103635
Energy: 5.7297722462385
Energy: 5.7776852334540365
Energy: 5.641389374725654
Energy: 5.8097316276719955
Energy: 5.747684136453616
Energy: 5.533405417396224
Energy: 5.8009558961370224
Energy: 5.796761241290908
Energy: 5.652257578480214
Energy: 5.806896463796954
Energy: 5.804267749350858
Energy: 5.661646358144924
Energy: 5.803044170643224
Energy: 5.79429239307699
Energy: 5.491360938047764
Energy: 5.801910107695725
Energy: 5.725410893880484
Energy: 5.638586591400874
Energy: 5.8084230622702755
Energy: 5.747025887293875
Energy: 5.655443070800471
Energy: 5.745591939170168
Energy: 5.7614709383124065
Energy: 5.4914526970763005
Energy: 5.749055289634057
Energy: 5.746787280203331
Energy: 5.532843586575705
Energy: 5.748740139260818
Energy: 5.9817882898802015
Energy: 5.482959763601333
Energy: 5.817026076710889
Energy: 5.747764298833623
Energy: 5.5426343258874144
Energy: 5.7488924410990565
Energy: 5.766324519126493
Energy: 5.630074603381352
Energy: 5.723529826558641
Energy: 5.7442988668396
Energy: 5.523126316464355
Energy: 5.7242299709443465
Energy: 5.76818212318407
Energy: 5.5222314372437795
Energy: 5.779687072678924
Energy: 5.826224182799215
Energy: 5.534947460585081
Energy: 5.808309992829116
Energy: 5.736388412856799

minimum gb energy = 5.482959763601333 eV
minimum distance =  1.94986431351487 Angstroms
sigma value = 11


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

Energy: 4.733764792026862
Energy: 5.104574984191409
Energy: 4.748378940111378
Energy: 4.741625488358128
Energy: 5.102869210118481
Energy: 5.401979398806435
Energy: -8.19919555267314
Energy: 4.753620254593052
Energy: 4.750936787518708
Energy: 4.778612779498427
Energy: 4.769399736987582
Energy: 5.867331424104258
Energy: 4.920798475020165
Energy: 5.438870189273338
Energy: 4.763545592802427
Energy: 4.744699083997119
Energy: 5.418699206750691
Energy: 5.448705867530994
Energy: 4.678846877128385
Energy: 5.461719949089096
Energy: 5.421482901212175
Energy: 4.7409806925941
Energy: 5.435763684426257
Energy: 4.7402142053519665
Energy: 4.682833481265598
Energy: 5.470771354391527
Energy: 4.7536580860656015
Energy: 4.754132066715266
Energy: 5.4332581191421605
Energy: 4.734298237710489
Energy: 4.765726116479464
Energy: 5.455157191262479
Energy: 5.443830046270519
Energy: 4.803755439017864
Energy: 5.18072287027057
Energy: 4.755863041571623
Energy: 4.747399794026843
Energy: 5.420225095055801
Energy: 5.637870062519609
Energy: 5.445921683821044
Energy: 5.640015503923998
Energy: 4.753165286572912
Energy: 4.748488807672151
Energy: 5.449786821554725
Energy: 5.176853506122895
Energy: 4.8065843552389715
Energy: 5.4551361628009145
Energy: 5.445350746300071
Energy: 4.875280154198464
Energy: 4.7596601098952975
Energy: 5.864599622535557
Energy: 4.851970382193438
Energy: 5.642180684374757
Energy: 4.759409866046439
Energy: 4.753984773621684
Energy: 4.7684578080312185
Energy: 4.768126480384611
Energy: 5.43825190138489
Energy: 4.766643582208682
Energy: 4.7646421472021885
Energy: 4.7637263408408534
Energy: 4.783963889491782
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Energy: 4.752037451802997
Energy: 4.779460299502338
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Energy: 4.778569031865625
Energy: 5.861948584930749
Energy: 4.919952457041797
Energy: 4.749394841802024
Energy: 4.745841296569287
Energy: 4.761896282197352
Energy: 4.770329436238977
Energy: 5.454352767619931
Energy: 4.709582366802925
Energy: 4.802941625029735
Energy: 4.7674198177379745
Energy: 4.747170720763586
Energy: 4.766879252599938
Energy: 4.734449917164244
Energy: 4.728507056752215
Energy: 4.764121448351569
Energy: 4.7528862758309325
Energy: 4.871048745044344
Energy: 4.75937932580955
Energy: 5.8690283906344956
Energy: 4.784526383559862
Energy: 4.75490540580256
Energy: 4.7606710731052
Energy: 4.8382822761359705
Energy: 5.444493098429664
Energy: 5.327104708986725
Energy: 4.793977100186369
Energy: 5.46798431833464
Energy: 5.424818991440187
Energy: 4.852175508151137
Energy: 5.664009486468809
Energy: 5.887233569624656
Energy: 4.73235657719901
Energy: 5.419069212586034
Energy: 4.750224042256045
Energy: 4.76316301411843
Energy: 5.443521591055695
Energy: 5.308083051551073
Energy: 4.743679940874541
Energy: 5.487038009610935
Energy: 4.758361018704073
Energy: 4.822928024774703
Energy: 5.1873628428625045
Energy: 5.435726765291028
Energy: 4.762990595261047
Energy: 5.443222596371214
Energy: 5.4214231284331085
Energy: 4.7494610740026975
Energy: 5.425187584708525
Energy: 5.418137496545571
Energy: 4.743568124018139
Energy: 5.418694712912794
Energy: 5.4370460543944565
Energy: 4.7875514434439275
Energy: 5.440767194032371
Energy: 5.430297389001645
Energy: 4.738452766965313
Energy: 5.440852404457444
Energy: 5.451251851286934
Energy: 4.836382034415832
Energy: 5.647715002215043
Energy: 4.789310358564691
Energy: 4.840104380653223
Energy: 4.7796862682946974
Energy: 5.8690588907105345
Energy: 4.770249239499619
Energy: 4.753531280215521
Energy: 4.752956046956292
Energy: 4.747044017885836
Energy: 4.7585086146294495
Energy: 5.445444238616957
Energy: 4.6861573048174385
Energy: 4.832588378848763
Energy: 4.79917934088339
Energy: 4.756528416818097
Energy: 4.753018063968566
Energy: 5.449796232233216
Energy: 4.897204499658405
Energy: 5.41486489949888
Energy: 4.748230692348694
Energy: 4.744214507349588
Energy: 5.1014561320337375
Energy: 5.863320227583733
Energy: 4.718581479151146
Energy: 4.79868829629886
Energy: 4.753906222008875
Energy: 4.754813568505586
Energy: 4.767411272856123
Energy: 4.798824362377604

minimum gb energy = -8.19919555267314 eV
minimum distance =  1.97288252331298 Angstroms
sigma value = 41


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

Energy: 4.180944722609664
Energy: 4.445401187951356
Energy: 4.09976798057308
Energy: 4.096776162695698
Energy: 4.442898945435087
Energy: 5.273844922128891
Energy: 4.096478071275812
Energy: 4.100371663448194
Energy: 4.179519588011715
Energy: 4.106220479295899
Energy: 4.096747214815023
Energy: 5.243246897308374
Energy: 4.100531261660994
Energy: 4.806421404348106
Energy: 4.099533523419465
Energy: 4.098551180108354
Energy: 4.098120207769659
Energy: 5.246417893872376
Energy: 4.089186717303539
Energy: 4.098232097779344
Energy: 4.1002215286503
Energy: 4.098353257083905
Energy: 4.097207031756953
Energy: 5.283886822279686
Energy: 4.088892232244703
Energy: 4.100696877774104
Energy: 4.100042906995922
Energy: 4.098684522591667
Energy: 4.097640431974451
Energy: 5.286770408932839
Energy: 4.479897736496901
Energy: 5.250800821743401
Energy: 4.810069089240329
Energy: 4.483955555087001
Energy: 4.804600254028503
Energy: 5.261238941636313
Energy: 4.480313808180001
Energy: 4.805743618074444
Energy: 5.249193942080382
Energy: 4.918638407635199
Energy: 5.249272171928895
Energy: 4.81162469697445
Energy: 4.087606282939926
Energy: 5.24898419745506
Energy: 4.80952919701994
Energy: 4.157679889388182
Energy: 5.248575061110701
Energy: 5.285958081632347
Energy: 4.101854341670002
Energy: 4.808790574360479
Energy: 5.247355034458335
Energy: 4.477652643192022
Energy: 5.254306944483307
Energy: 4.095855575688329
Energy: 4.099321241262814
Energy: 4.097233221651352
Energy: 4.097088194333431
Energy: 4.101185823752793
Energy: 4.096988994445858
Energy: 4.09748012222
Energy: 4.095337794030896
Energy: 4.099815654261656
Energy: 4.0982669420548685
Energy: 4.2242608708404425
Energy: 4.098719444025171
Energy: 4.099291229058728
Energy: 4.300129216387531
Energy: 4.101266487383207
Energy: 5.257042570610925
Energy: 4.097236279584927
Energy: 4.0976435992355915
Energy: 4.097975723165477
Energy: 4.102048555846414
Energy: 4.102881502147438
Energy: 4.09749523704076
Energy: 4.844713096181824
Energy: 4.104218735510491
Energy: 4.099026256009291
Energy: 4.096051688138473
Energy: 4.099135827494356
Energy: 4.105084622263886
Energy: 4.724978140351973
Energy: 4.100712375914999
Energy: 4.096547147487353
Energy: 4.100363290748202
Energy: 4.098020808456066
Energy: 4.097906065436058
Energy: 5.767314432830198
Energy: 4.099629423610627
Energy: 4.0983746022393746
Energy: 4.101905973262946
Energy: 4.097600781553293
Energy: 4.0991287297514125
Energy: 5.77091603839208
Energy: 4.100216613207072
Energy: 4.104498870211135
Energy: 4.094910814059339
Energy: 4.097096744809406
Energy: 4.090028064113176
Energy: 5.334962473153823
Energy: 4.0990616157717445
Energy: 4.095511565781095
Energy: 4.09524395163953
Energy: 4.098957836970977
Energy: 4.100890785531304
Energy: 4.093572588056359
Energy: 4.107070839089572
Energy: 4.101190482542299
Energy: 4.307962899777718
Energy: 4.0981392331112385
Energy: 5.248691945681434
Energy: 4.095344929442021
Energy: 4.096544704739358
Energy: 4.09826851139177
Energy: 4.303745796988384
Energy: 4.100097427935449
Energy: 4.818611610769884
Energy: 4.1283139520737375
Energy: 4.100743257747674
Energy: 4.09670659574673
Energy: 4.098230967363787
Energy: 4.098309794924582
Energy: 5.270258301953139
Energy: 6.595582712136535
Energy: 4.097773671895954
Energy: 4.09732823574779
Energy: 4.101377637633719
Energy: 4.805426490198729
Energy: 5.248501811662442
Energy: 4.479726762446406
Energy: 5.247802884332683
Energy: 4.801140086990055
Energy: 4.098810526708824
Energy: 5.251742081786589
Energy: 4.8075107056362
Energy: 4.478066014991358
Energy: 5.248686350607197
Energy: 5.26075054999899
Energy: 4.4767921479742405
Energy: 4.814451267190711
Energy: 5.255438414373535
Energy: 4.088825749935298
Energy: 5.252411202789553
Energy: 4.805365127620759
Energy: 4.479157566921432
Energy: 5.255738465791109
Energy: 4.803621876850738
Energy: 4.099703647434952
Energy: 4.8040300866739365
Energy: 5.258945662299091
Energy: 4.106775903436073
Energy: 4.097260687304675
Energy: 4.09752303438603
Energy: 4.100421048481476
Energy: 4.097580808207553
Energy: 4.099486565140452
Energy: 4.121521855593704
Energy: 4.0972663829854925
Energy: 4.100292866667637
Energy: 4.098362839115547
Energy: 4.095880984786171
Energy: 4.099789429606246
Energy: 4.0968230663702965
Energy: 4.801380764734092
Energy: 4.099118336495815
Energy: 4.096840862090928
Energy: 4.098410594029331
Energy: 5.251245988996443
Energy: 4.095521806549582
Energy: 4.097232980228359
Energy: 4.103077463115124
Energy: 4.1058392619460475
Energy: 4.100537942962278
Energy: 5.237057759612312
Energy: 4.098766537421427
Energy: 4.4454758518907225
Energy: 4.098649639063701
Energy: 4.096905476424055
Energy: 4.44221874258466
Energy: 4.100847347831939
Energy: 4.297031071646875
Energy: 4.101834953373561
Energy: 4.144972594923462
Energy: 4.099692503406009
Energy: 4.215685305972899
Energy: 4.10039549938859
Energy: 4.072059536408805
Energy: 4.095761630672801
Energy: 4.09653911483163
Energy: 4.098533855607861
Energy: 4.100682213938361
Energy: 5.221423336060278
Energy: 4.102752894534443
Energy: 4.100569483984504
Energy: 4.097007828701165
Energy: 4.0980204597714
Energy: 4.1020043403467366
Energy: 4.0890397201596

minimum gb energy = 4.072059536408805 eV
minimum distance =  1.97474982189642 Angstroms
sigma value = 33


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

Energy: 3.5352300869973026
Energy: 3.222080043446062
Energy: 3.2250648817145873
Energy: 3.2405425176716256
Energy: 3.244938322742733
Energy: 4.377781521923017
Energy: 3.2155157919090205
Energy: 3.884162303466616
Energy: 3.3610417331259645
Energy: 3.413770218810706
Energy: 3.2115838156701404
Energy: 3.892940629460693
Energy: 3.2351891966715804
Energy: 3.894127640098127
Energy: 3.22112567607879
Energy: 3.240164030918127
Energy: 3.211842537415264
Energy: 3.8943144481000798
Energy: 3.2904877792272935
Energy: 3.22560512442648
Energy: 3.2254873634796564
Energy: 3.2191374004288953
Energy: 3.2263832768389817
Energy: 3.2355947380890044
Energy: 3.2888053127765
Energy: 3.2250616948884328
Energy: 3.2289603272873095
Energy: 3.2058716878738913
Energy: 3.21701174485413
Energy: 4.452585631488361
Energy: 4.023844832282752
Energy: 4.451620830643226
Energy: 3.8913875158849764
Energy: 3.512908805260178
Energy: 3.896878182548006
Energy: 4.492183847332632
Energy: 3.217651663044369
Energy: 4.463084069973842
Energy: 4.480500270433203
Energy: 3.9357973004740288
Energy: 4.47466883145794
Energy: 4.459314467958791
Energy: 4.334773126054247
Energy: 4.398058115792346
Energy: 4.403098412298887
Energy: 3.2061750202920924
Energy: 4.423491670343604
Energy: 4.445073775908744
Energy: 3.219900466102601
Energy: 4.45973062893204
Energy: 4.468221290686783
Energy: 4.151638040757834
Energy: 4.4760693529588576
Energy: 4.458666990974525
Energy: 3.210160920903449
Energy: 4.46541452731997
Energy: 4.493206469811295
Energy: 4.834433850598228
Energy: 4.4897435650128905
Energy: 4.463956934542609
Energy: 3.246307962401156
Energy: 4.496316886179366
Energy: 4.46868688448399
Energy: 4.067358225076345
Energy: 4.485269681448901
Energy: 4.486149049390836
Energy: 3.226208901686344
Energy: 4.482158523967888
Energy: 4.4851098357666705
Energy: 4.110758049738152
Energy: 4.499327267890152
Energy: 4.467225366622103
Energy: 3.2041396031957303
Energy: 4.477784177233779
Energy: 4.465249275046895
Energy: 4.461208123402129
Energy: 4.469652008679087
Energy: 3.8848253043128915
Energy: 3.2139863793114047
Energy: 3.8926075873082495
Energy: 3.90063774838168
Energy: 4.488086957772289
Energy: 3.896558687592644
Energy: 3.8921688427514813
Energy: 3.233168529209113
Energy: 4.477355669464395
Energy: 4.460085649648137
Energy: 5.089736991562846
Energy: 4.461334234900651
Energy: 3.9006311017508475
Energy: 3.2148618333360055
Energy: 3.888291948436603
Energy: 3.9046808638180885
Energy: 5.136256559594177
Energy: 3.8980817845090687
Energy: 3.880162633348654
Energy: 3.191674367889883
Energy: 3.227326951632482
Energy: 3.9150881315379014
Energy: 4.483138793556719
Energy: 3.2262463838330526
Energy: 3.2081531598537922
Energy: 3.908740630982841
Energy: 3.208435666860707
Energy: 4.037309929757004
Energy: 4.469476023445541
Energy: 3.2090263386657596
Energy: 3.21578011734129
Energy: 3.889072271424519
Energy: 3.226109437740264
Energy: 3.9012151151027368
Energy: 4.021357589407976
Energy: 3.230188363641036
Energy: 3.229568956546074
Energy: 3.201662240274303
Energy: 3.3595960646659186
Energy: 3.3602479755433867
Energy: 4.476324358914635
Energy: 3.366952275788196
Energy: 3.222666691133042
Energy: 3.2386842394103903
Energy: 3.227907517931924
Energy: 3.36029200339831
Energy: 4.491587831809321
Energy: 3.2423083019886096
Energy: 3.220284620595049
Energy: 3.1976331394008493
Energy: 3.2092988008874346
Energy: 3.2152326152885586
Energy: 4.464578367289676
Energy: 3.2337654527097426
Energy: 3.2083502599859015
Energy: 3.171877302298789
Energy: 3.208499909684592
Energy: 3.8822490821240008
Energy: 4.4614880574412235
Energy: 3.2334621488363466
Energy: 3.198191662987754
Energy: 3.2409592970800505
Energy: 3.2250988546069914
Energy: 3.406486312983059
Energy: 3.2903250947711054
Energy: 3.2328803756751934
Energy: 3.2209503137232627
Energy: 3.2008560041285663
Energy: 3.358719335894647
Energy: 3.8908861305779654
Energy: 4.457929138572574
Energy: 3.1922932725239703
Energy: 3.2051941516880373
Energy: 3.312005003211322
Energy: 3.2250775314653803
Energy: 3.889029936360335
Energy: 4.020216837633542
Energy: 3.8905960390138308
Energy: 3.229289692274235
Energy: 3.9063211069578214
Energy: 3.2177656230481197
Energy: 3.2145959770385444
Energy: 4.483936864043029
Energy: 3.221849107015907
Energy: 3.2283270946232596
Energy: 3.1996333756028563
Energy: 3.2241273823286205
Energy: 3.250749989017002
Energy: 4.48997555740049
Energy: 3.223462528206654
Energy: 3.2217252542823074
Energy: 3.2146667748506763
Energy: 3.8909387228393983
Energy: 4.45988375578875
Energy: 5.690376852897653
Energy: 3.8883822747406156
Energy: 3.888842913196974
Energy: 3.2071490254704753
Energy: 4.495543477140356
Energy: 4.459266210767352
Energy: 4.469013748131781
Energy: 4.467581017239457
Energy: 4.468262862198471
Energy: 3.203860204577358
Energy: 4.405161055054564
Energy: 4.439838265513723
Energy: 4.505954871705355
Energy: 4.396539513295482
Energy: 3.887514141229819
Energy: 3.2101693887879694
Energy: 4.4779439965950525
Energy: 4.461495872070919
Energy: 5.309992194025871
Energy: 4.465262074217086
Energy: 3.8939414234259657
Energy: 3.190891649728462
Energy: 4.493601693822382
Energy: 4.47115809046705
Energy: 4.101902909146031
Energy: 4.495311420703896
Energy: 4.474384699913558
Energy: 3.1922206654905256
Energy: 4.489820424263674
Energy: 4.476863181871089
Energy: 4.449177942046332
Energy: 4.4949287712244566
Energy: 4.4710059217041875
Energy: 3.212842255671013
Energy: 4.485806740302467
Energy: 4.4794525146513084
Energy: 4.443556385416434
Energy: 4.49631032292674
Energy: 4.466472359456219
Energy: 3.2237861944756387
Energy: 4.463717115350118
Energy: 4.476273848872748
Energy: 3.209559122789475
Energy: 4.480929649198332
Energy: 4.461568308078231
Energy: 4.366420749250173
Energy: 4.394149402276351
Energy: 3.888028988010654
Energy: 3.211766271111374
Energy: 4.397751384330287
Energy: 4.477969386740928
Energy: 3.227866381376377
Energy: 4.461643427326913
Energy: 4.468690760613847
Energy: 3.2368756010301767
Energy: 4.49158475095346
Energy: 4.457527457528176
Energy: 4.0237461921470885
Energy: 3.8860622405962273
Energy: 3.8847141257023985
Energy: 3.213852905177018
Energy: 3.888157798769488
Energy: 4.473781989078478
Energy: 3.2792030897351143
Energy: 3.2197059682997584
Energy: 3.2288334974226722
Energy: 3.1999865024012184
Energy: 3.226730620231362
Energy: 4.473767367704989
Energy: 3.2754111651635927
Energy: 3.224423912906848
Energy: 3.2262384483125857
Energy: 3.2496320269160366
Energy: 3.226644666809092
Energy: 3.214330943259171
Energy: 3.2341418692312067
Energy: 3.8945404195910505
Energy: 3.2237174323103535
Energy: 3.2193543093254373
Energy: 3.2256480470361315
Energy: 3.899511359602476
Energy: 3.529219728054722
Energy: 3.238609272823845
Energy: 3.364179423679549
Energy: 3.3941044915011553
Energy: 3.3608713270816373
Energy: 4.410539101870986
Energy: 3.321789753624896
Energy: 3.2399043116828112
Energy: 3.2235464409201358
Energy: 3.2361417153158807
Energy: 3.2324474762636664
Energy: 3.99613656116125
Energy: 3.2203207159735254
Energy: 3.2216385501971527
Energy: 3.3659802496037585
Energy: 3.359936367485214
Energy: 3.211416736078725
Energy: 3.881764387683094
Energy: 4.36890378147485
Energy: 3.217280587525448
Energy: 3.2248995606753375
Energy: 3.2211116262672728
Energy: 3.2174492365298386
Energy: 3.214940048390886
Energy: 3.288360722564972
Energy: 3.244211049517116
Energy: 3.219728064357738
Energy: 3.2334999546855903
Energy: 3.225757766450568
Energy: 3.2746084381962626

minimum gb energy = 3.171877302298789 eV
minimum distance =  1.98962126476878 Angstroms
sigma value = 67


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

Energy: 0.8714678192884059
Energy: -4.126251680240082
Energy: -4.147365519164022
Energy: -4.035256584750458
Energy: -4.227893994581796
Energy: 0.870757469821581
Energy: -4.186292477969048
Energy: -4.031179253566633
Energy: -4.102362366718226
Energy: -4.157863122407464
Energy: -4.107891413768412
Energy: -4.130537556788699
Energy: -4.075197468469366
Energy: -4.160263379061707
Energy: -4.032986540343252
Energy: -4.019807160595192
Energy: -4.16397557737567
Energy: -4.2266036192733205
Energy: 0.863010063995967
Energy: -4.036841640595119
Energy: -4.069155781762497
Energy: -4.032884519514167
Energy: -4.146640310666586
Energy: 0.8667709363280927
Energy: 0.8613503027701834
Energy: -4.177370234588304
Energy: -4.088176822377407
Energy: -4.128468119243518
Energy: -4.060726942249562
Energy: -6.613772941289523
Energy: -4.145747893094845
Energy: -4.1406666852725875
Energy: -4.065162835031523
Energy: -4.0238849650814155
Energy: -4.155389847584144
Energy: -4.135056198796048
Energy: -6.660022486760579
Energy: -4.256640785188704
Energy: -4.227710754753794
Energy: -4.061615105747066
Energy: -4.165977321212038
Energy: -4.183735836786506

minimum gb energy = -6.660022486760579 eV
minimum distance =  2.0370038371976 Angstroms
sigma value = 3


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

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Energy: 3.989583458575088
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Energy: 3.206463576010196
Energy: 3.59783236211708
Energy: 4.0740176425626204

minimum gb energy = -6.646843988669725 eV
minimum distance =  1.97584636084223 Angstroms
sigma value = 81


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

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Energy: 4.236642694654938
Energy: 4.238318853684823
Energy: 3.6375986363889052
Energy: 4.232692146039686
Energy: 4.930259335369228

minimum gb energy = -4.477501970392713 eV
minimum distance =  1.98768788444593 Angstroms
sigma value = 43


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

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Energy: 4.250564321203448
Energy: 5.224061899024146
Energy: 5.225107818345116
Energy: 5.220625065585787
Energy: 4.249041453188335
Energy: 0.8727074545850328
Energy: 4.248052400643926
Energy: 5.221965201339735
Energy: 5.488195269261579
Energy: -2.569805276036292
Energy: 4.248153079520466
Energy: 1.5331478029280592
Energy: -1.2437715098210385
Energy: -1.1706630412574426
Energy: 4.560816780795844
Energy: -1.1752010841686265
Energy: -1.1872311588002407
Energy: -1.8952105614790242
Energy: -1.9714898230950597
Energy: -1.166123595868738
Energy: 5.314406135753047
Energy: -1.1727411551420686
Energy: -1.397954048422068
Energy: -1.9077628333021035
Energy: -1.1783658981186729
Energy: 5.254467643580261
Energy: 5.4840755027409065
Energy: -1.9750197749925904
Energy: -1.178385912447607
Energy: -1.8920713672180016
Energy: -1.1692189361787653
Energy: 5.35175292001406
Energy: 0.4805740539690285
Energy: 5.352546188983432
Energy: -1.4642750292329723
Energy: -1.5333699857464453
Energy: 5.344862381417607
Energy: 5.40651685913895
Energy: 5.2819923956079045
Energy: 5.406331585713002
Energy: -1.4335164751166425
Energy: -1.8813485424797145
Energy: 5.342702271142896
Energy: 5.360131098312288
Energy: -0.492498186678558
Energy: 5.349829175101284
Energy: 5.348179072144809
Energy: -1.5133798983723572
Energy: 5.366971259126388
Energy: 5.386755650905303
Energy: 0.7230803205192486
Energy: 5.351501037797602
Energy: 5.3526154222636775
Energy: -1.5012268367290131
Energy: 5.387406344490937
Energy: 5.282025058295656
Energy: -2.844234042814223
Energy: 5.389047528904173
Energy: 5.343229342913332
Energy: -1.8987274447172326
Energy: 5.385353035307795
Energy: 5.279196208298532
Energy: -0.4969224994499585
Energy: 5.399412084793018
Energy: 5.385178975472411
Energy: -1.8980106998949422
Energy: 5.385591077343738
Energy: 4.890461219118011
Energy: 3.9457483334463497
Energy: 5.383500648721365
Energy: 5.2797935471282145
Energy: -0.1552869923700145
Energy: 5.292384376529717
Energy: 4.699959409839814
Energy: 3.9532908425124265
Energy: 4.702559922512004
Energy: 5.430114857609728
Energy: -1.6410110419342787
Energy: 4.979677015884222
Energy: 4.709833172802311
Energy: -0.5001201266231374
Energy: -1.3583408200175915
Energy: 5.404981916613254
Energy: 4.4546867133815
Energy: 4.713683675260656
Energy: -0.5091279793407361
Energy: 3.950722822814311
Energy: 1.1867239308826676
Energy: 0.210558568828521

minimum gb energy = -2.8452800025541185 eV
minimum distance =  1.96357368245253 Angstroms
sigma value = 57


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

Energy: 4.249436291292547
Energy: 4.301302726907261
Energy: 4.312587665046875
Energy: 4.312130816877337
Energy: 5.298780602380227
Energy: 6.076760222019961
Energy: 4.280149882442887
Energy: 5.270832684292093
Energy: 4.288832835045833
Energy: 4.2778946691071305
Energy: 4.289580435006678
Energy: 6.05560010691084
Energy: 4.274826203299481
Energy: 6.120965385065088
Energy: 4.286831937633494
Energy: 4.27295160563662
Energy: 4.287080721149205
Energy: 6.025198558473927
Energy: 4.249687642108539
Energy: 5.274733126883632
Energy: 4.295821990229785
Energy: 4.290716183558166
Energy: 4.302730317132246
Energy: 6.053094270904011
Energy: 4.247872371113838
Energy: 5.270481152772834
Energy: 5.269555202330431
Energy: 4.311996305978009
Energy: 5.269907082826348
Energy: 6.059952929923462
Energy: 4.2772220411685264
Energy: 6.037774600100055
Energy: 5.272768232487113
Energy: 4.306460261984141
Energy: 5.2736876872470715
Energy: 6.104191130175286
Energy: 4.28531029427471
Energy: 6.049041176171135
Energy: 5.280600860942291
Energy: 4.293196793150752
Energy: 5.2812783178738565
Energy: 6.048111266357054
Energy: 4.257526365131441
Energy: 6.049093893761164
Energy: 6.057380559703338
Energy: 4.287496387651173
Energy: 6.102925286843541
Energy: 6.0323423046473446
Energy: 4.285499697245727
Energy: 6.101548800307321
Energy: 6.005983198414552
Energy: 6.020530239829521
Energy: 6.044549180457998
Energy: 5.424619893461757
Energy: 4.291964719657621
Energy: 5.285446709439814
Energy: 6.047630859047356
Energy: 4.299803604356408
Energy: 6.051091005853601
Energy: 5.285063382496085
Energy: 4.3178373290277925
Energy: 5.268697522939786
Energy: 6.119612523036379
Energy: 4.282123412946157
Energy: 6.034031219453953
Energy: 5.26985393394299
Energy: 4.314971853401984
Energy: 5.266775300652495
Energy: 5.26834886253767
Energy: 5.276312158918032
Energy: 5.267436158466971
Energy: 5.268412910781097
Energy: 4.289553856688225
Energy: 4.302208045980323
Energy: 6.192603685057658
Energy: 6.016100933245771
Energy: 5.275586659049783
Energy: 4.296978349510891
Energy: 4.268353177334538
Energy: 4.287476955421515
Energy: 6.025238837534091
Energy: 4.288741851941217
Energy: 5.281334986832933
Energy: 4.287109969577893
Energy: 4.272235448471442
Energy: 4.288020896632867
Energy: 6.028910836279135
Energy: 4.2906887036178345
Energy: 5.271972715972191
Energy: 4.287702819146235
Energy: 4.299615246060333
Energy: 5.2861062629796844
Energy: 6.072966907851579
Energy: 4.237048019520573
Energy: 5.289029239043305
Energy: 4.302883303056324
Energy: 4.3123851140663865
Energy: 5.268167973864084
Energy: 5.272480103368579
Energy: 4.301463977454461
Energy: 5.268394924976512
Energy: 5.265395572642657
Energy: 4.305964858081538
Energy: 5.2675334525588475
Energy: 6.0432407747094645
Energy: 4.287777712046521
Energy: 6.028651113019644
Energy: 5.265680740512653
Energy: 4.283876459243786
Energy: 5.301884467857238
Energy: 6.0469014370107335
Energy: 5.458583717353679
Energy: 6.050126282472071
Energy: 5.30065521159975
Energy: 4.289611362492416
Energy: 6.049243973783645
Energy: 6.047143813822839
Energy: 5.404688772455824
Energy: 6.045510240606647
Energy: 6.051383412701951
Energy: 4.2718563717001325
Energy: 6.049243045129546
Energy: 5.4096241248600805
Energy: 4.2869618863781165
Energy: 6.049058268271206
Energy: 6.012186116610682
Energy: 4.28100455242671
Energy: 6.0539705169664675
Energy: 5.270655851584598
Energy: 4.30160057303154
Energy: 5.271731471887178
Energy: 6.056432760456137
Energy: 4.2769543811522786
Energy: 6.024681821110035
Energy: 5.281390657919264
Energy: 4.299143874227064
Energy: 5.283825232711877
Energy: 6.11195552622234
Energy: 4.229635250424996
Energy: 5.276838563973764
Energy: 5.2743181045789
Energy: 4.3064796303648905
Energy: 5.274046076492799
Energy: 6.009227613536284

minimum gb energy = 4.229635250424996 eV
minimum distance =  1.98001769910681 Angstroms
sigma value = 17


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

Energy: 12.036228544707075
Energy: 4.771776015275439
Energy: 4.787242211013133
Energy: 4.788069026247225
Energy: 6.082525887716478
Energy: 7.0207168515466005
Energy: 4.789770854947698
Energy: 6.077028078984171
Energy: 4.771529365439596
Energy: 4.769133941238587
Energy: 4.770751635857197
Energy: 6.07518517974362
Energy: 4.784288299007242
Energy: 6.0962210992886465
Energy: 4.76914499275729
Energy: 4.763503711346877
Energy: 4.76789173852872
Energy: 6.974988024101635
Energy: 4.732066409430478
Energy: 6.080185851593396
Energy: 4.77983902831693
Energy: 4.790920336359844
Energy: 4.78017912637895
Energy: 5.205383735681251
Energy: 4.733634789888925
Energy: 6.078014448248161
Energy: 6.086338534435778
Energy: 4.800913604099928
Energy: 6.08063603049433
Energy: 5.20729275323486
Energy: 4.789405658208454
Energy: 5.2050547557161755
Energy: 6.092057855130314
Energy: 4.7471712134064425
Energy: 6.090415605165317
Energy: 6.086187244074518
Energy: 4.801921948268936
Energy: 6.073225097539995
Energy: 6.089794745585203
Energy: 4.793816822305304
Energy: 6.082990056303608
Energy: 4.790531105088401
Energy: 4.813357852317321
Energy: 6.087764053226361
Energy: 6.969580838401601
Energy: 4.792691336215342
Energy: 6.087222479024883
Energy: 4.791020005457019
Energy: 4.805479065721768
Energy: 6.083142822262158
Energy: 6.978899714482282
Energy: 6.102427355624311
Energy: 6.08171374896085
Energy: 4.7871732072166155
Energy: 4.7716926112529015
Energy: 4.774183502524077
Energy: 6.072654260865886
Energy: 4.750791855856151
Energy: 6.075766315403716
Energy: 4.7748278707187115
Energy: 4.755222785519328
Energy: 4.76824501811556
Energy: 7.054704145143567
Energy: 4.786824774416858
Energy: 4.768266040543971
Energy: 4.768129580901949
Energy: 4.77542317337641
Energy: 4.776121646580839
Energy: 6.078936688602093
Energy: 4.7363148321434325
Energy: 6.078786555154047
Energy: 4.77662344932945
Energy: 4.802866009189448
Energy: 6.085022031544543
Energy: 6.082252567253011
Energy: 4.736889627663234
Energy: 6.082412432434355
Energy: 4.7947424390480125
Energy: 4.743060475561508
Energy: 6.096232661945531
Energy: 6.11909684194141
Energy: 4.79232633357162
Energy: 6.108644078863311
Energy: 4.733810376214863
Energy: 4.793245484298279
Energy: 6.0802893868837105
Energy: 6.0863431451407735
Energy: 4.797463171738404
Energy: 6.0804329770670416
Energy: 6.08685744253129
Energy: 4.787783851856552
Energy: 6.094316863206097
Energy: 6.097585167073796
Energy: 4.776729012619842
Energy: 6.094025694577632
Energy: 6.0907714609867885
Energy: 4.74415624717691
Energy: 6.073995284933489
Energy: 6.0911792858501075
Energy: 4.8073678363141426
Energy: 6.07972155560482
Energy: 4.74604879850449

minimum gb energy = 4.732066409430478 eV
minimum distance =  2.0075732751273 Angstroms
sigma value = 17


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

Energy: 5.421092560052709
Energy: 4.515901368282893
Energy: 4.527507356368722
Energy: 4.524271041080003
Energy: 4.5169013789668915
Energy: 4.532065802815534
Energy: 4.8463740536207585
Energy: 4.850466700335012
Energy: 4.853357304790217
Energy: 4.852069896760463
Energy: 4.8570320455218905
Energy: 4.8309292053650115
Energy: 4.87326626874182
Energy: 4.8470956418693625
Energy: 4.855364826657825
Energy: 4.849865133055219
Energy: 4.849403822293532
Energy: 4.5107929398254845
Energy: 5.860148905003596
Energy: 4.839150980802157
Energy: 4.862910625608161
Energy: 4.870178740674256
Energy: 4.875509249220295
Energy: 5.686966172323242
Energy: 4.8860779882656775
Energy: 4.8345975163391905
Energy: 4.832810672749176
Energy: 4.884238381455417
Energy: 4.846506851264888
Energy: 4.8666877756842535
Energy: 4.877971739604749
Energy: 4.892251313133893
Energy: 4.495209167890768
Energy: 4.513428038407928
Energy: 4.853796660527786
Energy: 4.868148218271621
Energy: 4.846054324730741
Energy: 4.856154188980093
Energy: 4.864780074348513
Energy: 4.877554925808365
Energy: 5.66468459380989
Energy: 4.8538206952728045
Energy: 4.848757918563622
Energy: 4.854736200914621
Energy: 4.850651764688095
Energy: 4.855902052502363
Energy: 4.853827410019722
Energy: 4.854396558374322
Energy: 4.868443192232078
Energy: 4.857983963132305
Energy: 4.498610432799877
Energy: 5.522613907505538
Energy: 4.8622083070021045
Energy: 4.86218968776687
Energy: 6.245552515765164
Energy: 4.857907932360006
Energy: 4.852105765893001
Energy: 5.215729666111921
Energy: 4.852741424240022
Energy: 4.858045840079978
Energy: 6.277024296243797
Energy: 4.853409944325292
Energy: 4.51658649444192
Energy: 4.8698697529246
Energy: 4.850127001247526
Energy: 4.856931319707658
Energy: 6.163977134373634
Energy: 4.859481772565679
Energy: 4.504200488079501
Energy: 4.5249275500174
Energy: 4.502454262207114
Energy: 4.862045934514918
Energy: 5.238909667122369
Energy: 4.502854023723775
Energy: 4.502135010698869
Energy: 4.505383150029895
Energy: 4.501647102408492
Energy: 4.872178989160559
Energy: 4.489537387029569
Energy: 4.510389929751606
Energy: 4.5199515582571665
Energy: 4.516164820780376
Energy: 4.526775960474319
Energy: 4.504999259461758
Energy: 5.240858886292353
Energy: 4.503103700158704
Energy: 4.501131173947946
Energy: 4.504012275437631
Energy: 4.501101684355444
Energy: 5.198356477087375
Energy: 5.229067470374879
Energy: 4.499435775529332
Energy: 4.501819081075219
Energy: 4.496404695713948
Energy: 4.501712546918792
Energy: 4.526120440202276
Energy: 4.870768449532477
Energy: 4.505860551101736
Energy: 4.504726465418941
Energy: 4.5120259551618505
Energy: 4.5058547185623485
Energy: 5.672783614305962
Energy: 4.871236239322338
Energy: 4.504967932330463
Energy: 4.507350424147955
Energy: 5.8737868908272635
Energy: 4.50856875793783
Energy: 5.67207830323626
Energy: 5.232817926327584
Energy: 5.607650672949824
Energy: 4.501013625058979
Energy: 4.504595477601031
Energy: 4.501491112713755
Energy: 4.8726179629981
Energy: 6.238112319177608
Energy: 4.857279550427749
Energy: 4.507392411764853
Energy: 4.525193774172728
Energy: 5.6666106408586945
Energy: 4.858139662200474
Energy: 6.289556402534537
Energy: 4.851589836976528
Energy: 4.518878206653689
Energy: 4.860887173498751
Energy: 4.851979236438829
Energy: 4.856208953386174
Energy: 4.88008477684874
Energy: 4.860705877210073
Energy: 4.499654437320633
Energy: 5.2233849058690005
Energy: 4.8585318730525335
Energy: 4.861337846255479
Energy: 4.85570915966683
Energy: 4.8575449899699645
Energy: 4.8524746806387435
Energy: 5.223039608865144
Energy: 4.858270187214347
Energy: 4.8561979528999855
Energy: 4.849688657846407
Energy: 4.848456222553267
Energy: 4.83540897390551
Energy: 4.870111441764279
Energy: 4.8492135036736785
Energy: 4.84996397191773
Energy: 4.856687013816598
Energy: 4.857580055771785
Energy: 4.835636958642228
Energy: 5.8175956191723985
Energy: 4.835574361273676
Energy: 4.8564101499817065
Energy: 4.8776528325263975
Energy: 4.835280537318068
Energy: 4.837087252616978
Energy: 4.507455003465961
Energy: 4.849029530805598
Energy: 4.874231313191074
Energy: 4.5064623594286815
Energy: 4.840755071235523
Energy: 4.891246126507531
Energy: 4.875484866941917
Energy: 4.850175039290333
Energy: 4.495195400042729
Energy: 4.5182391960862
Energy: 4.835040141876328
Energy: 4.858530776614197
Energy: 4.8606569221371405
Energy: 4.854154342356255
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Energy: 4.864432356078216
Energy: 4.851799699454
Energy: 4.8501243230549145
Energy: 4.874033202419167
Energy: 4.850533866109079
Energy: 4.519743267995362
Energy: 4.858264895197892
Energy: 4.854018266136701
Energy: 4.85760184692289
Energy: 4.861048527784457
Energy: 4.859313457390322
Energy: 5.18140105573849
Energy: 4.850139567024509
Energy: 4.8552855718233925
Energy: 4.861822317041983
Energy: 4.879876973787665
Energy: 4.861112101114893
Energy: 5.713929819569938
Energy: 4.8587902263279386
Energy: 4.850319205775678
Energy: 4.851875020536233
Energy: 4.852141756843143
Energy: 4.853374524704235
Energy: 4.518820375974187
Energy: 5.871305796471038
Energy: 4.507037619510372
Energy: 4.861484581179027
Energy: 4.8607434486607275
Energy: 4.861664642317552
Energy: 4.507165602238034
Energy: 6.934486170990678
Energy: 4.5028782032298285
Energy: 4.8634996019595045
Energy: 5.234843911298622
Energy: 4.502818049439642
Energy: 4.501832831073653
Energy: 4.5190842719339335
Energy: 4.508459006653874
Energy: 4.5007907000731615
Energy: 4.52061575777515
Energy: 4.505543619460373
Energy: 4.506582886826292
Energy: 4.507840498786026
Energy: 4.50467767268491
Energy: 4.504658873953595
Energy: 4.516200556718798
Energy: 4.504996697539387
Energy: 4.503133325008718
Energy: 4.490736229499427
Energy: 4.501635839192342
Energy: 5.627295805125143
Energy: 5.231448019938454
Energy: 4.49862733966505
Energy: 4.501640129972652
Energy: 4.500188698003941
Energy: 4.501192677166253
Energy: 5.196308020381519
Energy: 6.384552929660148
Energy: 4.502498136337187
Energy: 4.500843365227433
Energy: 4.516676817680495
Energy: 4.528182751532067
Energy: 4.834677378329651
Energy: 4.500235530981303
Energy: 4.510007383309493
Energy: 4.514668446665795
Energy: 5.712303573717524
Energy: 4.501455276676898
Energy: 4.50220847248072
Energy: 5.242352026974916
Energy: 4.50275834670382
Energy: 4.5021699701567295
Energy: 5.141278232989216
Energy: 4.503490371473902
Energy: 4.861234973915977
Energy: 6.233655362690179
Energy: 4.855193753808168
Energy: 4.503497952542474
Energy: 4.8664696521333735
Energy: 6.654744862188724
Energy: 4.8556685044613666
Energy: 4.853038828461729
Energy: 4.854506460144168
Energy: 4.51748596936316
Energy: 5.2197116084166
Energy: 4.851451909425681
Energy: 4.857696367950175
Energy: 4.862528915443183
Energy: 4.857622046500921
Energy: 4.497437407566468

minimum gb energy = 4.489537387029569 eV
minimum distance =  2.00507127969792 Angstroms
sigma value = 57


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

Energy: -2.3863839605738875
Energy: -2.3536199807506097
Energy: -2.3404020351335477
Energy: -2.5161319810078715
Energy: -3.0759231576668724
Energy: -2.399748981542403
Energy: 5.038858139214647
Energy: -2.534160840150961
Energy: -2.9311723810098265
Energy: -2.911447855382769
Energy: -2.5435692371902507
Energy: -1.8759132865777972
Energy: -4.023910116912444
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Energy: -2.921274342546869
Energy: -2.5364864953822
Energy: -4.053012602539643
Energy: -3.4413937288648855
Energy: -4.1149262424327615
Energy: -2.544736465546112
Energy: -2.5148130548405105
Energy: -2.939599504650661
Energy: -4.125484177340938
Energy: -4.0875586724948345
Energy: -4.056491573500308
Energy: -4.102135358060198
Energy: -3.8929276976032288
Energy: -4.119207382680416
Energy: -4.081015170468866
Energy: -3.8101738161500363
Energy: -0.9459113577107787
Energy: -3.8803210361931484
Energy: -3.8614671388329866
Energy: -4.124388229603828
Energy: -4.039245391272992
Energy: -4.11286636758864
Energy: 5.0411059762258565
Energy: -4.093540158736032
Energy: -2.5593617435004803
Energy: -4.116866651952131
Energy: -4.042492400614854
Energy: -4.058849761583962
Energy: -4.043011053798333
Energy: -3.9638002218424804
Energy: -2.532548118084259
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Energy: -3.436305263109112
Energy: -4.076422576289703
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Energy: -4.762537989894682
Energy: -4.1086601408054015
Energy: -4.124289405008922
Energy: -4.1022522297219615
Energy: -4.0823656157365305
Energy: -2.5266649382264506
Energy: -4.1205722416455455
Energy: -4.1225838899152505
Energy: -4.107355778663748
Energy: -1.9161209638172705
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Energy: -3.8634392944332463
Energy: -4.123381756270038
Energy: -4.104987862146726
Energy: -4.101755571749292
Energy: 5.027139505506411
Energy: -4.122818512184431
Energy: -2.5091159164028203
Energy: -4.091131292285141
Energy: -4.095495849282498
Energy: -4.101235386835096
Energy: -4.094945618597671
Energy: -3.8052305498688
Energy: -2.5192490642582475
Energy: -3.938923547560223
Energy: -4.101938574170795
Energy: -3.9291156518585835
Energy: -3.9523005575304246
Energy: -2.23293497051185
Energy: -1.7621184182168017
Energy: -4.044453307488148
Energy: -3.9451830698012413
Energy: -3.732175409954128
Energy: -3.9561052221515984
Energy: -4.088616488032453
Energy: -1.7454304661008926
Energy: -4.052788524009334
Energy: -4.085829992587352
Energy: -3.715660409959517
Energy: -0.1994521321234596
Energy: -2.527381787380039
Energy: -2.522524803937798
Energy: -4.087789529661988
Energy: -0.41410000064322317
Energy: -3.724777481273674
Energy: -0.402073147522362
Energy: -2.5464103461491447
Energy: -2.5340449420206776
Energy: -2.5495134771862777
Energy: -4.101222370143942
Energy: -4.053342895952661
Energy: -2.534299443750668
Energy: -2.5357189891735135
Energy: -2.5243744504468637
Energy: -2.5648308245179074
Energy: -3.811076850697395
Energy: -1.2614519374618298
Energy: -2.895436661896667
Energy: -2.5370488824029396
Energy: -2.4903613005422147
Energy: -2.9108178728820704
Energy: -3.8841178058750754

minimum gb energy = -4.772720782881343 eV
minimum distance =  1.94450268140424 Angstroms
sigma value = 43


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

Energy: 13.350898948758653
Energy: 4.86205365448785
Energy: 4.873182005193932
Energy: 4.8691806527187875
Energy: 4.885553392442843
Energy: 4.811060477939987
Energy: 4.828134180890906
Energy: 5.146063106270473
Energy: 5.145716707677438
Energy: 5.147151414783585
Energy: 5.146013173419531
Energy: 6.258336587379107
Energy: 5.551646915502601
Energy: 5.173684184385567
Energy: 5.144863562178669
Energy: 5.147809564949291
Energy: 5.142440893996308
Energy: 5.154849287462673
Energy: 5.457058556339724
Energy: 4.815145652914131
Energy: 5.154176313278842
Energy: 5.157390033622073
Energy: 6.075932267144169
Energy: 4.816596619063648
Energy: 5.551422775565531
Energy: 4.817069354949435
Energy: 5.171464187970625
Energy: 5.463300844464293
Energy: 5.170753741536496
Energy: 4.817546466082986
Energy: 4.82781415365579
Energy: 4.824467933945063
Energy: 4.812705714644771
Energy: 4.810073987059597
Energy: 4.822271426211004
Energy: 4.826080184936269
Energy: 4.817670345582359
Energy: 4.813482001497443
Energy: 5.1718538880645335
Energy: 5.148634300916282
Energy: 4.8134979760140775
Energy: 4.813559922086499
Energy: 4.8136718582745885
Energy: 4.812680320582872
Energy: 5.175486286650083
Energy: 5.153189750091915
Energy: 4.813374303524777
Energy: 4.8124175183599665
Energy: 4.825822153962886
Energy: 4.82380463471579
Energy: 5.181952349034039
Energy: 5.140171459051025
Energy: 4.82065412320913
Energy: 4.823320869853015
Energy: 5.4733223018167845
Energy: 4.817502246069047
Energy: 5.170717395935944
Energy: 2.326116576384705
Energy: 5.169145657519207
Energy: 4.816886005799915
Energy: 5.496432476843394
Energy: 5.175888801132839
Energy: 5.155144772268782
Energy: 5.158458063987073
Energy: 5.172834079898665
Energy: 4.81142494271036
Energy: 5.555497715927262
Energy: 4.8211033462419515
Energy: 5.145011147060308
Energy: 5.145333421081012
Energy: 5.144169326665657
Energy: 5.15374402261041
Energy: 4.817578125885002
Energy: 5.147121541491283
Energy: 5.144786225155259
Energy: 5.145542785453379
Energy: 5.144513113417471
Energy: 5.152142842536747
Energy: 4.996872519378408
Energy: 5.1495024442505235
Energy: 5.157041571571242
Energy: 5.162792364275501
Energy: 5.156911980509231
Energy: 5.163729485052329
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Energy: 5.1448032028489274
Energy: 5.147540139617885
Energy: 5.1521042518491305
Energy: 5.148300947092854
Energy: 5.1447000743535485
Energy: 5.550446545683037
Energy: 5.152509242970591
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Energy: 5.147973243373054
Energy: 5.144744498711911
Energy: 5.154076685959772
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Energy: 5.143934864266956
Energy: 5.152296765678156
Energy: 5.552739109378841
Energy: 5.814247144915603
Energy: 5.145139770485446
Energy: 5.548860297842541
Energy: 5.146001570686072
Energy: 5.143119958277816
Energy: 1.6920910454329043
Energy: 5.143718531352392
Energy: 5.146857591122413
Energy: 4.868010428641583
Energy: 4.877168310806848
Energy: 4.447885203805816
Energy: 4.8096089397916435
Energy: 4.864041366848711
Energy: 4.870484155776372
Energy: 5.156929491669477
Energy: 5.146164859235095
Energy: 5.144306336417597
Energy: 4.816236151685369
Energy: 5.1450631761309875
Energy: 5.146015879769649
Energy: 5.148428856737941
Energy: 5.142791072062067
Energy: 4.819157997469819
Energy: 5.552171540823891
Energy: 5.148287128451253
Energy: 5.145016428612879
Energy: 5.158094724474976
Energy: 5.150953102903697
Energy: 4.814989316758275
Energy: 4.81641072958495
Energy: 5.175471852783098
Energy: 5.154113788505348
Energy: 5.463635049657647
Energy: 5.18865139920685
Energy: 4.816994337921992
Energy: 5.149423773072378
Energy: 4.816925641082206
Energy: 5.172525202403523
Energy: 5.463872931680632
Energy: 4.8191428415938935
Energy: 4.82625051050043
Energy: 4.825312398282425
Energy: 4.821629387218733
Energy: 4.813917973230174
Energy: 5.147920181198369
Energy: 5.175947444592379
Energy: 4.813885270436467
Energy: 4.822821884634172
Energy: 4.813456462993874
Energy: 3.183695196827133
Energy: 5.153366591808105
Energy: 5.17431241828413
Energy: 4.812802275184286
Energy: 4.819500752458588
Energy: 4.813277943662101
Energy: 2.3299087318251663
Energy: 3.7448052817482296
Energy: 4.81867671328206
Energy: 4.824011093079216
Energy: 4.825657224915501
Energy: 4.820615471462257
Energy: 4.8117917481954535
Energy: 5.550255046081663
Energy: 5.189403576420502
Energy: 4.817316753725717
Energy: 5.153577946648479
Energy: 4.81840156389787
Energy: 5.172265788026164
Energy: 5.158525345479177
Energy: 5.14749344198563
Energy: 4.814715955573809
Energy: 4.81357778710599
Energy: 5.176375395875583
Energy: 5.154088910387876
Energy: 5.15297661477028
Energy: 5.146709594018098
Energy: 4.818788429315911
Energy: 5.555025786551777
Energy: 5.176694855638271
Energy: 5.144932475841487
Energy: 5.155245159919332
Energy: 5.145274520699626
Energy: 5.145760231708931
Energy: 5.154991651333947
Energy: 5.144924865342118
Energy: 5.144816839261344
Energy: 5.161707745359415
Energy: 5.1571411234322
Energy: 5.17388231317337
Energy: 4.807621789228441
Energy: 5.150644845398621
Energy: 5.15926146231921
Energy: 5.549072604042586
Energy: 5.147525558672906
Energy: 5.144766220660152
Energy: 3.7425705656506376
Energy: 5.14504311308222
Energy: 5.1487026077804945
Energy: 5.537763244859422
Energy: 5.142011574051928
Energy: 5.152583853159817
Energy: 5.55113023480466
Energy: 5.152735204736659
Energy: 5.143983123087413
Energy: 5.551847296597802
Energy: 5.148772880243666
Energy: 5.145102251986608
Energy: 5.150004062223164
Energy: 5.143789149682874
Energy: 5.155423887669298
Energy: 1.6760054279419483
Energy: 5.143434010906725
Energy: 5.1461699095763755
Energy: 5.152556373315833
Energy: 5.145314794430799
Energy: 7.313169039719363

minimum gb energy = 1.6760054279419483 eV
minimum distance =  1.96109833875056 Angstroms
sigma value = 81


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

Energy: 5.326914979528816
Energy: 5.814796955121894
Energy: 5.814006297380377
Energy: 5.813057434605596
Energy: 5.814982683906823
Energy: 5.328917372939114
Energy: 5.347236394032511
Energy: 5.828888885937044
Energy: 5.344254198406981
Energy: 5.343945419192801
Energy: 5.344695750438423
Energy: 5.813209923594977
Energy: 5.822091424263144
Energy: 5.814427767048908
Energy: 5.3447570177067645
Energy: 5.347779806844598
Energy: 5.345636161007916
Energy: 5.8135136423243585
Energy: 5.811534842192565
Energy: 5.812908159226307
Energy: 5.345897376303994
Energy: 5.344600531747185
Energy: 5.81437177347195
Energy: 5.813117591775708
Energy: 5.812770813774861
Energy: 5.825877782467263
Energy: 5.814110629159465
Energy: 5.328543517223056
Energy: 5.821734093227523
Energy: 5.813078407933049
Energy: 5.3476616216353525
Energy: 5.346144616808038
Energy: 5.328299443955834
Energy: 5.3367608656324785
Energy: 5.814220738198226
Energy: 5.34691330673816
Energy: 5.344134139622571
Energy: 5.344725785737926
Energy: 5.814497276270031
Energy: 5.811895961172416
Energy: 5.825235019107812
Energy: 5.344534466034969
Energy: 5.344911252879368
Energy: 5.344830008536764
Energy: 5.813987853913137
Energy: 5.812400462053711
Energy: 5.8249291629930084
Energy: 5.344394517867239
Energy: 5.344820051148287
Energy: 5.346521372717751
Energy: 5.813247432715727
Energy: 5.81371426236255
Energy: 5.813610807332133
Energy: 5.345317183550421
Energy: 5.328140143468142
Energy: 5.814577072973008
Energy: 5.812915531117978
Energy: 5.811371780078963
Energy: 5.816872504269422
Energy: 5.815244218561821

minimum gb energy = 5.326914979528816 eV
minimum distance =  1.99626130927358 Angstroms
sigma value = 3


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

Energy: 3.539955240265051
Energy: 0.30583271177896415
Energy: 0.8022855583782413
Energy: 0.9608716146884868
Energy: 0.3306726947486546
Energy: 3.5451431979744834
Energy: 0.17258709165242786
Energy: 0.19370501701611045
Energy: 0.2809238799410799
Energy: 0.17820575540181288
Energy: 0.20323541402092743
Energy: 0.2833908428536907
Energy: 0.20366760188799385
Energy: 3.5631240021188018
Energy: 0.22779769525670282
Energy: 0.19486398210026715
Energy: 0.2820547200744831
Energy: 0.2163166237798162
Energy: 0.1867896355861803
Energy: 0.22050004729310074
Energy: 0.32904559911430536
Energy: 0.1980350867126946
Energy: 1.246876904650681
Energy: 0.15692909280611617
Energy: 0.19778991313959657
Energy: 0.22777873736443952
Energy: 0.19626660021797454
Energy: 0.07534001056635294
Energy: 0.1971085323071817
Energy: 0.18862266265067298
Energy: 0.9724285503791321
Energy: 0.80324904239669
Energy: 3.321059788675838
Energy: 2.6302357534839764
Energy: 0.20449125673402585
Energy: 0.6972116424737379
Energy: 0.5019647279693236
Energy: 0.20736987302122245
Energy: 2.875521984298009
Energy: 0.1955570791452016
Energy: 0.30538093218416956
Energy: 0.27776854175507437
Energy: 0.4809285247674634
Energy: 0.27659733526884306
Energy: 0.20692083176076365
Energy: 0.19654846497888978
Energy: 0.2055880520770407
Energy: 0.41359322683578637
Energy: 0.2067957338155349
Energy: 0.3018868919799301
Energy: 0.3050138975980905
Energy: 0.3542203122921182
Energy: 4.513643381783819
Energy: 3.1763337535647933
Energy: 0.9028846352649558
Energy: 3.8596544765823544
Energy: 0.2163447292885463
Energy: 0.3547138215725234
Energy: 0.20015186445306127
Energy: 3.8859957134332714
Energy: 5.3684587099004455
Energy: 3.8183397937425023
Energy: 0.21812979021615697
Energy: 0.3454613033553132
Energy: 0.3070577227366083
Energy: 2.6010869471435982
Energy: 0.8065406257620288
Energy: 0.18940133147686647
Energy: 0.30264450486245065
Energy: 0.4413654558430878
Energy: 3.8481290345849883
Energy: 0.7803363479937264
Energy: 0.22869703481216339
Energy: 0.3244834582578709
Energy: 3.8688404138982935
Energy: 0.5562502279401533
Energy: 0.20322321712120825
Energy: 0.3329014333142323
Energy: 0.33990821235932445
Energy: 0.3503200620571501
Energy: 0.28185881229532345
Energy: 0.9004211918531352
Energy: 0.21245366560557574
Energy: 0.20159277047084664
Energy: 0.2724791429990306
Energy: 0.32225057489853437
Energy: 0.20847829744855978
Energy: 0.15905109627817526
Energy: 4.766421918105703
Energy: 0.3177982943938649
Energy: 0.20352232460190917
Energy: 2.8972408202024096
Energy: 0.42259565488550965
Energy: 0.20340950955714907
Energy: 0.303411031576848
Energy: 0.28267202882105624
Energy: 0.5305965842156928
Energy: 0.21608502690890002
Energy: 0.18926937736909527
Energy: 0.8223980044000706
Energy: 0.20962333251319654
Energy: 0.9109738233377995
Energy: 0.5460200376207371
Energy: 0.2979633238850368
Energy: 0.2107696164253798
Energy: 0.2029339279409436
Energy: 0.22429537037776767
Energy: 2.981370831976388
Energy: 0.2056010613228618
Energy: 1.285520693521347
Energy: 0.3553950863485563
Energy: 0.20345092797360223
Energy: 0.32866314142302927
Energy: 0.2044912414523259
Energy: 0.20227157793729394
Energy: 0.20804700537702644
Energy: 0.19617320611862638
Energy: 0.20732522873658962
Energy: 3.4378949201852413
Energy: 0.3374137374564823
Energy: 0.20379441312336188
Energy: 0.41178806638478865
Energy: 1.1653641538613424
Energy: 0.19614215985242453
Energy: 0.34935909174292695
Energy: 0.2818493203569698
Energy: 0.307292360981794
Energy: 0.18746976009078714
Energy: 3.3219629881922588
Energy: 2.7161008715589747
Energy: 0.27973894757709417
Energy: 0.19970331179668943
Energy: 0.30413450684561233
Energy: 0.2324869461147467
Energy: 4.7743736259181775
Energy: 0.16433445058395332
Energy: 0.30692534101301133
Energy: 0.20441037665723324
Energy: 0.4513288715094032
Energy: 0.22324847506666742
Energy: 0.2046430599244274
Energy: 0.20337238973349872
Energy: 0.2046105775298722
Energy: 4.367472717906176
Energy: 0.3065269471524537
Energy: 2.8871697831821916
Energy: 0.2992339429750251
Energy: 0.26785258336317114
Energy: 0.2939657508112933
Energy: 0.20719586426331474
Energy: 0.7619805490904271
Energy: 0.31942360662279234
Energy: 0.28914035569608154
Energy: 0.3068896696399681
Energy: 0.1809103436950144
Energy: 3.857281871245286
Energy: 0.6876901285496635
Energy: 3.8089693064627266
Energy: 0.3013906395254849
Energy: 0.222207387063446
Energy: 0.3034132255758205
Energy: 0.5332050793812179
Energy: 0.7495923341059464
Energy: 3.858585841291158
Energy: 0.2059340058270877
Energy: 0.39085233335889064
Energy: 3.859198201498611
Energy: 0.21532762749184584
Energy: 0.30966048649706707
Energy: 0.30055375241242266
Energy: 0.5530120695259243
Energy: 0.3622235325329789
Energy: 0.18741278155772603
Energy: 0.29684125589371196
Energy: 0.20382247878628248
Energy: 0.28861729861809
Energy: 3.84770024042603
Energy: 0.9526923808801011
Energy: 0.3159175152215764
Energy: 0.29144932484612973
Energy: 0.27256033126062074
Energy: 0.3189704992904224
Energy: 0.327744543576033
Energy: 0.25339565437992956
Energy: 0.21380851244565308
Energy: 0.31770684675851046
Energy: 0.20021035033214005
Energy: 0.34490535633904496
Energy: 0.21313272036559905
Energy: 0.2748355483757908
Energy: 4.803489246448374
Energy: 0.30362978736325563
Energy: 0.5187796607067556
Energy: 0.2907757029877598
Energy: 0.1910707412673497
Energy: 0.2988338129252842
Energy: 0.3505818704155984
Energy: 2.976720405598111

minimum gb energy = 0.07534001056635294 eV
minimum distance =  2.01355564799249 Angstroms
sigma value = 67


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

Energy: 4.014967759537453
Energy: 5.719047377556195
Energy: 4.037594578153412
Energy: 5.483727037094327
Energy: 4.03552863941969
Energy: 4.0212602474466665
Energy: 4.045461605248257
Energy: 6.246313943305207
Energy: 6.167073820957951
Energy: 4.048020181858162
Energy: 6.149079484033312
Energy: 6.259797198101392
Energy: 4.0570267519259
Energy: 4.261713449723145
Energy: 6.165559178110328
Energy: 4.05070490254153
Energy: 6.148402624098014
Energy: 4.046389100227685
Energy: 4.055179829369344
Energy: 6.144523117546473
Energy: 4.267498206238886
Energy: 4.0609150740493885
Energy: 4.255388031432789
Energy: 6.14733021536893
Energy: 4.04773937314055
Energy: 4.05298006554408
Energy: 6.243241053734134
Energy: 4.039880663648638
Energy: 6.153649454999642
Energy: 4.066575848508474
Energy: 4.061148933479038
Energy: 4.03466504633621
Energy: 6.22206879281728
Energy: 4.031494512732246
Energy: 4.26140775081721
Energy: 4.039007176752732
Energy: 4.048030348621962
Energy: 6.162125895705859
Energy: 6.251427890006003
Energy: 4.068674595937842
Energy: 6.256696625495821
Energy: 4.060710220878125
Energy: 4.047333068183878
Energy: 6.144726942381311
Energy: 4.028962709840836
Energy: 4.0564755283867795
Energy: 4.025896627929103
Energy: 8.209759410177824
Energy: 4.046046491460789
Energy: 4.03423959604301
Energy: 4.036130391718216
Energy: 4.035630299073135
Energy: 4.036139217009848
Energy: 4.043129501749911
Energy: 4.047519953070547
Energy: 4.0345369787358285
Energy: 4.033269181258782
Energy: 4.0448205332649
Energy: 4.0312153037818135
Energy: 4.051011875539421
Energy: 4.051892421460597
Energy: 6.150311525820469
Energy: 4.027499078182888
Energy: 4.068041161742691
Energy: 6.241837292487683
Energy: 6.151900142849449
Energy: 4.067218007407774
Energy: 4.0317389375918244
Energy: 4.024816460374246
Energy: 4.034999905482168
Energy: 4.035171386306928
Energy: 4.037215861829616
Energy: 4.052924794929813
Energy: 4.0319586544459485
Energy: 4.025036919645794
Energy: 4.035164539126118
Energy: 4.246158961153092
Energy: 4.064774917402676
Energy: 4.049729970659102
Energy: 6.145487533299258
Energy: 4.268138567528907
Energy: 4.062837975735768
Energy: 6.138666915372074
Energy: 6.15033426722163
Energy: 4.0500004050976655
Energy: 4.259738432476178
Energy: 6.173581386410444
Energy: 4.05207250083045
Energy: 4.251363118070512
Energy: 4.05049766934626
Energy: 4.06175012210848
Energy: 6.1340402421683455
Energy: 6.157915713192915
Energy: 4.051553184413815
Energy: 6.146408481767054
Energy: 4.242767547543023
Energy: 4.026923996956434
Energy: 6.145172819282831
Energy: 4.033789106560845
Energy: 4.057497182992176
Energy: 4.03153252037012
Energy: 6.138831770087696
Energy: 4.031068463550433
Energy: 4.035638917923375
Energy: 4.032698671705389
Energy: 4.064092244075562
Energy: 4.03160344402354
Energy: 6.142878711055828
Energy: 4.059302282070117
Energy: 4.023655583321373
Energy: 8.192648437523495
Energy: 4.050551962621568
Energy: 6.145806978694748
Energy: 4.030667056588937
Energy: 4.03833529189398
Energy: 4.035487174431726
Energy: 6.24671101109611
Energy: 4.043959012203917
Energy: 4.0306955833518545
Energy: 4.034090092347706
Energy: 4.032870176657517
Energy: 4.037115923910724
Energy: 4.033549457906019
Energy: 4.047392721667367
Energy: 4.035106318998361
Energy: 4.03587425998681
Energy: 4.058874446805854
Energy: 4.026324256895431
Energy: 6.158155951396214
Energy: 4.048913292691828
Energy: 6.258090200717836
Energy: 4.032349539100981
Energy: 4.026841625491054
Energy: 6.155192988878996
Energy: 6.157884693657828
Energy: 4.067692447494232
Energy: 6.15147949911098
Energy: 6.245671130882707

minimum gb energy = 4.014967759537453 eV
minimum distance =  2.00222351528632 Angstroms
sigma value = 33


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

Energy: 5.818462692769151
Energy: 2.972758176162093
Energy: 2.9431563352374206
Energy: 2.9456384117838277
Energy: 2.946286705667156
Energy: 5.782338867808538
Energy: 2.963605185535681
Energy: 5.990920588686431
Energy: 4.056824961354656
Energy: 4.111108895659172
Energy: 4.322846530939586
Energy: 4.632150759315183
Energy: 4.056194406778593
Energy: 2.930258926896963
Energy: 4.596642127831588
Energy: 5.114877758257872
Energy: 4.61780839252165
Energy: 4.062210615545726
Energy: 4.064895557804934
Energy: 4.396050914786085
Energy: 4.341547231313042
Energy: 4.082445820758196
Energy: 2.931339134966103
Energy: 4.4012693009804
Energy: 4.067061769127144
Energy: 4.041288007499581
Energy: 3.2450207596020624
Energy: 2.979920288735775
Energy: 4.04629239633506
Energy: 4.058323953435868
Energy: 2.968883645998922
Energy: 2.9271001405031623
Energy: 4.4031467381227545
Energy: 4.038228064577261
Energy: 5.703317608546335
Energy: 2.9416855159739295
Energy: 2.951923189890165
Energy: 4.039255929657637
Energy: 4.052260587684646
Energy: 2.974394067457864
Energy: 4.03413256014392
Energy: 5.1134544334689584
Energy: 2.8728587304628928
Energy: 3.263850564257938
Energy: 4.036926011543685
Energy: 4.055142578363573
Energy: 4.042506130504474
Energy: 5.118943349098881
Energy: 4.061217120182397
Energy: 4.395109146232281
Energy: 4.056346334409263
Energy: 4.062489464195403
Energy: 4.055714275952929
Energy: 4.072512084213451
Energy: 4.094787181134644
Energy: 4.3193026825956435
Energy: 4.030277575077446
Energy: 4.064868533480094
Energy: 4.052958189216306
Energy: 4.091029850574589
Energy: 4.0874625081997875
Energy: 4.59913570787008
Energy: 2.9332109111241165
Energy: 4.045513251756991
Energy: 4.632306498425625
Energy: 4.0992015772559
Energy: 4.0884341479650494
Energy: 4.072222492365347
Energy: 2.932294578891117
Energy: 5.103805214305452
Energy: 3.2541137743521715
Energy: 4.081256123177731
Energy: 2.9746735546272114
Energy: 4.070344815623272
Energy: 2.934703563542017
Energy: 5.105286039206373
Energy: 2.9356759167748394
Energy: 2.974685968681789
Energy: 2.9501995926794904
Energy: 4.5972244261002
Energy: 2.9285575456492827
Energy: 2.967317755995966
Energy: 2.93102408933784
Energy: 2.941692000297135
Energy: 2.9461207047644478
Energy: 2.9263372972218815
Energy: 2.9268365071680273
Energy: 2.9867763917945642
Energy: 2.922895246026652
Energy: 4.051965085159398
Energy: 2.9775208578361303
Energy: 2.9227457485550605
Energy: 2.9330285274592267
Energy: 3.007917739771323
Energy: 2.929116490405001
Energy: 2.981734798084182
Energy: 4.03648048332775
Energy: 2.9275423591731182
Energy: 2.928093847272025
Energy: 3.000438766568534
Energy: 2.9184786929034066
Energy: 4.6023451547059055
Energy: 2.99509606692942
Energy: 4.318116287331397
Energy: 2.952532963956312
Energy: 2.958489476267518
Energy: 2.949046084737476
Energy: 4.058331075131383
Energy: 2.9869413195811805
Energy: 2.9731564570956412
Energy: 2.905974146547617
Energy: 5.077526836119148
Energy: 4.063568456394619
Energy: 2.981763288818262
Energy: 4.112126852632059
Energy: 4.315896210458976
Energy: 2.9359608055957946
Energy: 2.9336282592346574
Energy: 4.626290501139425
Energy: 4.067212767533702
Energy: 5.114777465296296
Energy: 4.598373672999382
Energy: 4.057372970619683
Energy: 4.049225469997065
Energy: 3.2284685959678656
Energy: 4.59513721519939
Energy: 4.094264026182284
Energy: 3.256731382434223
Energy: 4.3967666244586265
Energy: 4.061056690257931
Energy: 4.391069959514719
Energy: 4.080281508944927
Energy: 2.9860929973752035
Energy: 4.0538464241336
Energy: 4.043739950296823
Energy: 4.067006427778218
Energy: 4.040279223288933
Energy: 5.412962583642051
Energy: 4.3083014967498166
Energy: 2.9195360173950333
Energy: 2.934182772959607
Energy: 2.9637119606393125
Energy: 2.9246233803596136
Energy: 3.142729872924537
Energy: 2.9781405175770126
Energy: 4.042740563655986
Energy: 4.046391582155166
Energy: 2.91196234401289
Energy: 4.043941524093898
Energy: 4.058592347433539
Energy: 2.9808261708796975
Energy: 4.031951826845534
Energy: 4.030631592155598
Energy: 2.8797998380379477
Energy: 2.9300943744296895
Energy: 4.039122280573587
Energy: 4.064272085194925
Energy: 4.057386709657913
Energy: 4.392185088973194
Energy: 2.9745759593273604
Energy: 4.054706687970573
Energy: 4.038968238404537
Energy: 4.064391989954275
Energy: 4.057651142102154
Energy: 4.317373043773343
Energy: 4.104098688933991
Energy: 3.2644136429717756
Energy: 4.030185686783454
Energy: 4.042877644581787
Energy: 3.230838885091138
Energy: 4.594922874981802
Energy: 4.091067542544508
Energy: 4.599181482012687
Energy: 4.037055575178394
Energy: 2.859978256262826
Energy: 2.9300516740445275
Energy: 4.077648606448172
Energy: 4.098688183526172
Energy: 4.061572925017136
Energy: 3.9839740047156895
Energy: 2.846953601104964
Energy: 2.9386997893019986
Energy: 2.952646409194201
Energy: 2.9747482806229177
Energy: 4.070788755789293
Energy: 4.000626084115766
Energy: 2.9666808931326245
Energy: 2.9387583838801725
Energy: 4.321889671972171
Energy: 2.9488987659105246
Energy: 4.61086806234047
Energy: 2.936158492409202
Energy: 2.992769346165907
Energy: 2.9234418799744133
Energy: 3.254523077835326
Energy: 2.9385032598546155
Energy: 2.921098457839656
Energy: 2.9303118400032133
Energy: 3.005148642374072
Energy: 2.9305866239342544
Energy: 2.9221363891035557
Energy: 2.976607900643597
Energy: 2.9239134934420554
Energy: 2.934575958804644
Energy: 2.9997696242554035
Energy: 2.922709800887953
Energy: 2.9241746843098433
Energy: 4.065656577867137
Energy: 2.9236615446653036
Energy: 2.932941031005436
Energy: 2.961583665887947
Energy: 2.939380555821276
Energy: 4.315792565961458
Energy: 3.006810566132262
Energy: 4.622069630762326
Energy: 2.9399929006989094
Energy: 2.808268432861685
Energy: 2.935539051675725
Energy: 2.97886292673382
Energy: 2.9790335719728747
Energy: 2.9409442276360926
Energy: 5.051779074380971

minimum gb energy = 2.808268432861685 eV
minimum distance =  1.98697719972106 Angstroms
sigma value = 41


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

Energy: 9.270585542950036
Energy: 2.354314177059891
Energy: 2.4709626764580097
Energy: 2.594703178510955
Energy: 2.341661052284889
Energy: 0.1590281683469827
Energy: 2.608365856426555
Energy: 1.0586050630209602
Energy: 0.9360918870577065
Energy: 2.618145249358659
Energy: 1.0596079587055878
Energy: 2.4811588827752376
Energy: 2.576543665467089
Energy: 1.0721053364035436
Energy: 0.9355886242036819
Energy: 0.057670014612995806
Energy: 1.0726827863204162
Energy: 2.4790662625906372
Energy: 2.585935190013649
Energy: 1.0604011317545676
Energy: 0.9214703364232206
Energy: 2.628820302093283
Energy: 1.077811013978952
Energy: 0.7817694584070185
Energy: 2.612823269310537
Energy: 2.426765532673626
Energy: 0.8680930577661418
Energy: 2.6007972298695976
Energy: 1.0542419785130912
Energy: 2.4800906462834695
Energy: 2.6097093284330684
Energy: 2.4725889076707763
Energy: 0.8955024448136589
Energy: 1.5496520594122685
Energy: 2.4630504224160545
Energy: 2.4766552159684996
Energy: 3.9617439405479353
Energy: 2.4403038975427624
Energy: 2.4658330734858316
Energy: 2.540793233444827
Energy: 1.0571663206514064
Energy: 3.8280235476210964
Energy: 3.7843107264488487
Energy: 1.0608102009874256
Energy: 2.4817807922839257
Energy: 2.6285964632517094
Energy: 2.441950529184171
Energy: 3.8242726917096435
Energy: 2.5772958846915883
Energy: 1.0802553064921971
Energy: 0.938491349641211
Energy: 0.09285514917160428
Energy: 1.0645141977611126
Energy: 2.4733306119134886
Energy: 2.571876092505885
Energy: 1.0640253767170131
Energy: 0.9331901648771006
Energy: 2.6173166080895345
Energy: 1.072155469118201
Energy: 2.43210645411489
Energy: 2.604754630130277
Energy: 0.8965500425959981
Energy: 0.835532625906036
Energy: 2.5001426149352803
Energy: 1.0412146240878315
Energy: 2.4419729541922117
Energy: 2.5253310042307078
Energy: 2.395560169855371
Energy: 0.9374194304304837
Energy: 1.5063267498942374
Energy: 1.0641714548483976
Energy: 2.4789665377873407
Energy: 2.547056152018109
Energy: 2.424746990243203
Energy: 0.9377552660148549
Energy: 2.451173062979889
Energy: 1.0545847274260527
Energy: 2.4806225000051136
Energy: 3.814317294516676
Energy: 0.9418539271389595
Energy: 2.4755618668896178
Energy: 2.486248713788285
Energy: 2.43170927861787
Energy: 3.821687369769774

minimum gb energy = 0.057670014612995806 eV
minimum distance =  2.08030625152269 Angstroms
sigma value = 11


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

Energy: 4.229234995597885
Energy: 4.356885886321454
Energy: 4.355512511752009
Energy: 5.014713413483579
Energy: 4.355252823273159
Energy: 4.193942215808377
Energy: 4.343420071429194
Energy: 4.345144380779103
Energy: 4.330174551023812
Energy: 4.348188468191687
Energy: 4.578536820903634
Energy: 4.34799947402353
Energy: 4.3534862432711865
Energy: 4.307940474004594
Energy: 4.53753759713268
Energy: 4.2776509159649905
Energy: 4.3282324692223355
Energy: 4.312737048919208
Energy: 4.330199727591558
Energy: 4.340904065762316
Energy: 4.3369102852811805
Energy: 4.35829519271258
Energy: 4.336099709170264
Energy: 4.343293711002799
Energy: 4.337968688501714
Energy: 4.345325061371833
Energy: 4.576002867200165
Energy: 4.349778201265479
Energy: 4.342052871860996
Energy: 4.346481277756534
Energy: 4.359512280352864
Energy: 4.327374396259384
Energy: 4.349692383358703
Energy: 4.330137832781885
Energy: 4.5623051113625115
Energy: 4.326829527905517
Energy: 4.274492585447112
Energy: 4.337315137572535
Energy: 4.337939520794372
Energy: 4.347756941191121
Energy: 4.331420974583563
Energy: 4.235946472298122
Energy: 4.276261015840089
Energy: 4.579486230479504
Energy: 4.329241473088047
Energy: 4.351455775959598
Energy: 4.302381337050373
Energy: 4.246796324719498
Energy: 4.371011995050999
Energy: 4.303750623194745
Energy: 4.334410829530087
Energy: 4.27561158932377
Energy: 4.34262598815168
Energy: 4.305204306960369
Energy: 4.346445595909711
Energy: 4.342271457591854
Energy: 4.556298582666804
Energy: 4.292807692585403
Energy: 4.347886772677488
Energy: 4.3423930716502674
Energy: 4.322917695877174
Energy: 4.350662917562093
Energy: 4.332154048981605
Energy: 4.363181646733402
Energy: 4.586077198873191
Energy: 4.345495930769766
Energy: 4.33485299240002
Energy: 4.583759906503369
Energy: 4.3507439736039615
Energy: 4.327427368759079
Energy: 4.585707805289056
Energy: 4.3460646996295464
Energy: 4.363306930298635
Energy: 4.354147347094517
Energy: 4.336371028304443
Energy: 4.335396305580785
Energy: 4.354178735402637
Energy: 4.336658713460766
Energy: 4.251816132423941
Energy: 4.341565592926469
Energy: 4.299925751208399
Energy: 4.35542387208894
Energy: 4.309901240302416
Energy: 4.5395136877001665
Energy: 4.3526873040136245
Energy: 4.581027314674685
Energy: 4.338512444862166
Energy: 4.345590686335833
Energy: 4.3499899652627505
Energy: 4.334482272066578
Energy: 4.342009699439685
Energy: 4.338806277447013
Energy: 4.286626899974721
Energy: 4.212253646299463
Energy: 4.327656374890525
Energy: 4.351604270537617
Energy: 4.349072030626618
Energy: 4.337599813475916
Energy: 4.346289683330195
Energy: 4.301118513433412
Energy: 4.339205554009155
Energy: 4.334898432016731
Energy: 4.292470677557538
Energy: 4.547969106094298
Energy: 4.313712400052553
Energy: 4.356226565206111
Energy: 4.310215946329747
Energy: 4.288083759361623
Energy: 4.354452776091353
Energy: 4.334910413821823
Energy: 4.335077122664175
Energy: 4.335439442605866
Energy: 4.330464757674858
Energy: 4.332648851188992
Energy: 4.3536395076712395
Energy: 4.338603596863707
Energy: 4.342650772644886
Energy: 4.3359765211242225
Energy: 4.340664874049215
Energy: 4.335496966547948
Energy: 4.326394698114163
Energy: 4.386464953457281
Energy: 4.3257730430044905
Energy: 4.35566569581646
Energy: 4.3261575345049375
Energy: 4.345906273909361
Energy: 4.348572566152123
Energy: 4.330597937537405
Energy: 4.336418057277832
Energy: 4.271143504398838
Energy: 4.332315596407187
Energy: 4.338265875160998
Energy: 4.345883318955344
Energy: 4.330771300817531
Energy: 4.490668847212691
Energy: 4.257088069942992
Energy: 4.341383395129669
Energy: 4.33827461661506
Energy: 4.2930423912826345
Energy: 4.3420270401376175
Energy: 4.299697458544986
Energy: 4.369834790150177
Energy: 4.3415385678375555
Energy: 4.272478626930773
Energy: 4.272142671442301
Energy: 4.344545721719176
Energy: 4.336415608364893
Energy: 4.34816732172556
Energy: 4.340095461896708
Energy: 4.2651836886417565
Energy: 4.364384419631845
Energy: 4.569606183223605
Energy: 4.352264590387888
Energy: 4.328199779574387
Energy: 4.3495540863429705
Energy: 4.331744528927069
Energy: 4.330395806047449
Energy: 4.588534944920695
Energy: 4.333205360110744
Energy: 4.331843139461908
Energy: 4.589284502581821
Energy: 4.349353707287601
Energy: 4.332944602353714
Energy: 4.3563813604646064
Energy: 4.330691839963321
Energy: 4.363566541721259
Energy: 4.322632831941521
Energy: 4.351007062548559
Energy: 4.352856369237079
Energy: 4.331294405421923
Energy: 4.344387741013562
Energy: 4.257335998774301
Energy: 4.345551070709533
Energy: 4.332064968869068
Energy: 4.352831374654797
Energy: 4.337739759465059
Energy: 4.344125145709133
Energy: 4.353808666657904
Energy: 4.344481478749847
Energy: 4.29944981959033
Energy: 4.223962654980908
Energy: 4.582193936636358
Energy: 4.336989316798615
Energy: 4.347952731887939
Energy: 4.329031607251618
Energy: 4.293139054029355

minimum gb energy = 4.193942215808377 eV
minimum distance =  1.96268072469839 Angstroms
sigma value = 57


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

Energy: 10.73940185478333
Energy: 5.9222725628744035
Energy: 5.92867214550458
Energy: 5.930380432775517
Energy: 5.925852356761592
Energy: 5.722075748133552
Energy: 5.675391876222669
Energy: 5.813696415779476
Energy: 5.671822220588842
Energy: 5.665125227121093
Energy: 5.802949603907855
Energy: 5.670408827774956
Energy: 5.673681069166953
Energy: 5.671601361880442
Energy: 5.804793632739429
Energy: 5.606906596800114
Energy: 5.802960931737124
Energy: 5.673367095744021
Energy: 5.676682714236034
Energy: 5.672662169089681
Energy: 5.672780600741038
Energy: 5.678149403867569
Energy: 5.668014925065831
Energy: 5.674970360606596
Energy: 5.668067622947662
Energy: 5.677422299004046
Energy: 5.810455955341409
Energy: 5.664069461829072
Energy: 5.803191573175043
Energy: 5.678113393892237
Energy: 5.693988972770121
Energy: 5.67726229463447
Energy: 5.801084807588867
Energy: 5.6656759767235885
Energy: 5.797905272526386
Energy: 5.675581858417523
Energy: 5.623437382341791
Energy: 5.810175193151032
Energy: 5.673363359869876
Energy: 5.667595377260286
Energy: 5.670984324371718
Energy: 5.794048970957692
Energy: 5.63307130581246
Energy: 5.795712007973538
Energy: 5.67444980241183
Energy: 5.670069779613761
Energy: 5.673823834127841
Energy: 5.800226726083108
Energy: 5.663209405529799
Energy: 5.669536468811387
Energy: 5.593167237432347
Energy: 5.585748029900967
Energy: 5.798536316001104
Energy: 5.671929253385103
Energy: 5.671345964598797
Energy: 5.676288902953762
Energy: 5.591026173488032
Energy: 5.584746866231977
Energy: 5.798687172873284
Energy: 5.6754622260040755
Energy: 5.5962052722128535
Energy: 5.803459791440162
Energy: 5.680815411614963
Energy: 5.676576852304016
Energy: 5.803215810161208
Energy: 5.799681671922431
Energy: 5.593819336565941
Energy: 5.80587388080143
Energy: 5.6768855992511345
Energy: 5.671299998168471
Energy: 5.677493616547093
Energy: 5.794174218734603
Energy: 5.671837220876089
Energy: 5.800304055840094
Energy: 5.675914050523247
Energy: 5.666801994723468
Energy: 5.671958280024746
Energy: 5.666690671413398
Energy: 5.690082664535466
Energy: 5.8026292072472465
Energy: 5.675586033017999
Energy: 5.6761814148728265
Energy: 5.665957624232127
Energy: 5.800406954387191
Energy: 5.6663663926725505
Energy: 5.6681546357945365
Energy: 5.677339204401173
Energy: 5.675130231004231
Energy: 5.804995364748329
Energy: 5.665287630581106
Energy: 5.931016173750234
Energy: 5.678524797280696
Energy: 5.671091885433343
Energy: 5.62822253631757
Energy: 5.675585886891371
Energy: 5.9341542891709995
Energy: 5.58406952435325
Energy: 5.669747483465716
Energy: 5.675199412165214
Energy: 5.678292316391533
Energy: 5.801855033844676
Energy: 5.672615839320775

minimum gb energy = 5.58406952435325 eV
minimum distance =  1.95951389294233 Angstroms
sigma value = 9


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

Energy: 11.233938835378579
Energy: 5.333781917495447
Energy: 5.332768108551717
Energy: 5.3300172126230905
Energy: 5.335169207910121
Energy: 5.02030954710721
Energy: 5.357824790825429
Energy: 5.209399658089292
Energy: 5.4287244003994
Energy: 5.423375366052623
Energy: 5.207611563935339
Energy: 5.391687657159696
Energy: 5.375735657857749
Energy: 5.375129339342005
Energy: 4.992033294170687
Energy: 5.001886577706216
Energy: 5.199394803540406
Energy: 5.380843741912571
Energy: 5.372166088639223
Energy: 5.3792441685619625
Energy: 5.405749143957628
Energy: 5.383684911975819
Energy: 5.227629059387136
Energy: 5.401239840137185
Energy: 5.379709921344404
Energy: 5.417005698395677
Energy: 5.3750498376534654
Energy: 5.375099697988362
Energy: 5.384734884033804
Energy: 5.379227249719944
Energy: 5.3830135293328585
Energy: 5.389597936387964
Energy: 5.390601064467658
Energy: 5.381999446424509
Energy: 5.380575643347503
Energy: 5.383301543059289
Energy: 5.414495435725335
Energy: 5.196222100063964
Energy: 5.3820702187283365
Energy: 5.378195382096534
Energy: 5.37850518727095
Energy: 5.218354043293396
Energy: 5.412457982904315
Energy: 5.202327939189135
Energy: 5.388043004961484
Energy: 5.361010865234777
Energy: 5.426951377831015
Energy: 5.383843722199418
Energy: 5.321223061822714
Energy: 5.398372013751644
Energy: 5.206827052871654
Energy: 5.324072715094803
Energy: 5.389993682281649
Energy: 5.327520057591021
Energy: 5.3117147529477835
Energy: 5.395388471256501
Energy: 5.207050618230283
Energy: 5.323431742734947
Energy: 5.395686414389677
Energy: 5.332047256877806
Energy: 5.584312902055522
Energy: 5.19782513069634
Energy: 5.38154506837279
Energy: 5.315912334761782
Energy: 5.3706973042375
Energy: 4.9836885804042526
Energy: 5.57950799676106
Energy: 5.200696529737376
Energy: 5.396056159020865
Energy: 5.338789617415148
Energy: 5.3993008049911575
Energy: 5.591263720601563
Energy: 5.380455420585743
Energy: 5.373765437902021
Energy: 5.2137948065684485
Energy: 4.981903826985239
Energy: 5.199186849348718
Energy: 5.392820979012369
Energy: 5.378480049099965
Energy: 5.396586422000446
Energy: 5.214137684438968
Energy: 4.980109221499319
Energy: 5.219732141087637
Energy: 5.394283181232849
Energy: 5.378875806360612
Energy: 5.387175028656799
Energy: 5.39027984372728
Energy: 5.393989710798072
Energy: 5.213165916763613
Energy: 5.3836397548746024
Energy: 5.366755624055812
Energy: 5.3695359939903815
Energy: 5.42277449854192
Energy: 5.424203718347936
Energy: 5.4266945022009185
Energy: 5.380390487910462
Energy: 5.424816140883942
Energy: 5.228030168857839
Energy: 5.3830138506685
Energy: 5.37727898752033
Energy: 5.38372448255975
Energy: 5.389750150184508
Energy: 5.4596947046788005
Energy: 5.21093082491705
Energy: 5.379082939989491
Energy: 5.38761494003396
Energy: 5.370093317186562
Energy: 5.274303603065937
Energy: 5.314771155868009
Energy: 5.4327195004083295
Energy: 5.38837615932737
Energy: 5.361351706527279
Energy: 5.210399739115619
Energy: 5.430688315395661
Energy: 5.334014080395927
Energy: 5.338803151291217
Energy: 5.391467986725442
Energy: 5.31852762493473
Energy: 5.3851517370834925
Energy: 5.333591344926021
Energy: 5.585150240123138
Energy: 5.199042889373768
Energy: 5.3937634601426065
Energy: 5.307750731124265
Energy: 5.404598260611474
Energy: 5.424087700675351

minimum gb energy = 4.980109221499319 eV
minimum distance =  1.96736779101648 Angstroms
sigma value = 27


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

Energy: -1.2142986852035946
Energy: 5.371825447265148
Energy: 5.377355069625916
Energy: 5.543651876232349
Energy: 5.375574748500619
Energy: 5.609445333009495
Energy: 5.578385644471499
Energy: 5.454520589654291
Energy: 5.4513437263713955
Energy: 5.360911716055995
Energy: 5.368751583717555
Energy: 5.597842939950618
Energy: 5.455214933651509
Energy: 5.459308109404145
Energy: 5.499387822866256
Energy: 5.610827122231625
Energy: 5.455952107524037
Energy: 5.461797951124396
Energy: 5.451353052931499
Energy: 5.453057601352007
Energy: 5.7931182309324125
Energy: 5.53214651164828
Energy: 5.375165256279648
Energy: 5.460459536251289
Energy: 5.680378515714627
Energy: 5.457878920114688
Energy: 5.460623082168585
Energy: 5.4564261975233395
Energy: 5.464119729515325
Energy: 5.453278985402537
Energy: 5.460153400877069
Energy: 5.450737495970312
Energy: 5.46074344735201
Energy: 5.456688952975681
Energy: 5.46116156822659
Energy: 5.454782269016608
Energy: 5.478918662360679
Energy: 5.611921980242471
Energy: 6.090622826850787
Energy: 5.452861558753651
Energy: 6.080435737854611
Energy: 5.481748572190956
Energy: 5.479524161676117
Energy: 5.621262025759827
Energy: 5.458879788335446
Energy: 5.450853790009868
Energy: 5.366209448431281
Energy: 5.4823923874727365
Energy: 5.471520915820845
Energy: 5.454611840851397
Energy: 5.457803201047662
Energy: 5.357223856176102
Energy: 5.45889255697534
Energy: 5.458598550591656
Energy: 5.480050798090143
Energy: 5.4884616986344525
Energy: 5.619906682150919
Energy: 5.362723417591475
Energy: 5.459501233746116
Energy: 5.484279200563025
Energy: 5.4891692989700145
Energy: 5.651523081476525
Energy: 5.386505748938582
Energy: 5.516568837712854
Energy: 5.4571452330810155
Energy: 5.6730547621897776
Energy: 5.4892760285395585
Energy: 6.158621515940322
Energy: 5.586747295576991
Energy: 5.815098925916982
Energy: 5.456740751460239
Energy: 5.571021907993601
Energy: 5.478239407790871
Energy: 5.488960116523005
Energy: 5.562339631134593
Energy: 5.556343214169033
Energy: 5.561534460481982
Energy: 5.486548696565405
Energy: 5.485171042411326
Energy: 5.559470679820627
Energy: 5.536315913428598
Energy: 5.56290787079527
Energy: 5.562609488229706
Energy: 5.4670277954071285
Energy: 5.494628894604998
Energy: 5.450189956405818
Energy: 5.584797391246922
Energy: 5.566037142275447
Energy: 5.36870769910217
Energy: 5.498919412885403
Energy: 5.493713475107158
Energy: 5.739983304000253
Energy: 5.375213066292828
Energy: 5.3592870571819216
Energy: 5.371703877932585
Energy: 5.567324287503137
Energy: 5.481335711486772
Energy: 5.476682047647584
Energy: 5.638954919814743
Energy: 5.492447762102892
Energy: 6.048437368073571
Energy: 5.483645794585323
Energy: 5.592878769259635
Energy: 6.072003540098939
Energy: 5.569199089671822
Energy: 5.360532662083248
Energy: 5.637919722531793
Energy: 5.522813905398103
Energy: 5.4802910794572375
Energy: 5.479590382048208
Energy: 5.367805170325139
Energy: 5.3606891863047395
Energy: 5.480441560169851
Energy: 5.484178336565419
Energy: 5.480579271577313
Energy: 5.4829537605046035
Energy: 6.162196919801379
Energy: 5.3617447163271645
Energy: 6.166377803665814
Energy: 5.482883445011496
Energy: 5.451364174917213
Energy: 5.615045442872245
Energy: 5.370559848647356
Energy: 5.3659382764100965
Energy: 5.3768291675318425
Energy: 5.4924696852291035
Energy: 5.484599474674366
Energy: 5.651387976369291
Energy: 5.365598711686404
Energy: 5.359060742368921
Energy: 5.375014067000687
Energy: 5.614263598936556
Energy: 5.474295744045594
Energy: 5.482566968133738
Energy: 5.651227142682465
Energy: 5.48407337677381
Energy: 5.451427615161205
Energy: 5.479906184742776
Energy: 5.589550321297532
Energy: 5.481360225790601
Energy: 5.486951127272527
Energy: 5.487106003429084
Energy: 5.792793611206201
Energy: 5.587508477494134
Energy: 5.498098406492167
Energy: 5.616401813876228
Energy: 5.361439605578305
Energy: 5.530586539126028
Energy: 5.456199607429074
Energy: 5.498413951336247

minimum gb energy = -1.2142986852035946 eV
minimum distance =  1.98038944087128 Angstroms
sigma value = 19


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

Energy: 5.360619923141324
Energy: 5.164832731158514
Energy: 5.171605239065547
Energy: 5.258216626373591
Energy: 5.168356040603649
Energy: 5.263850210284454
Energy: 5.207455391728229
Energy: 5.1501507808886124
Energy: 5.182495618665889
Energy: 5.154790921147216
Energy: 5.148394870273891
Energy: 5.182293269312097
Energy: 5.1577420691996565
Energy: 5.154190272813597
Energy: 4.92119925174833
Energy: 4.913832784265872
Energy: 5.154361075170899
Energy: 5.146761010053716
Energy: 5.152152455813876
Energy: 5.153807368722403
Energy: 5.149422040773007
Energy: 5.167218926699651
Energy: 5.150194749872524
Energy: 5.154442638869604
Energy: 4.900334885160626
Energy: 5.155780836434835
Energy: 5.149830961354308
Energy: 5.153227042985164
Energy: 5.154304167940507
Energy: 5.155771368787225
Energy: 5.1485608302046195
Energy: 5.1514856056407545
Energy: 5.153019359003285
Energy: 5.151323640368226
Energy: 5.15385408191343
Energy: 5.152122690470142
Energy: 5.180892423649462
Energy: 5.8306946080238005
Energy: 5.472719490951837
Energy: 5.997629454223721
Energy: 5.460593134008873
Energy: 5.832131480614167
Energy: 5.176901798772202
Energy: 5.1768586174352675
Energy: 5.149670809267142
Energy: 5.160253100197189
Energy: 5.153659433609872
Energy: 5.176701489807605
Energy: 5.111911486800563
Energy: 5.100054424127302
Energy: 5.156161747627853
Energy: 5.153293084366952
Energy: 5.157942253179218
Energy: 5.09757862556586
Energy: 5.185471186848325
Energy: 5.154282512173013
Energy: 5.152102688917941
Energy: 5.156975172030762
Energy: 5.6301697184014525
Energy: 5.176989903700508
Energy: 4.997737747269716
Energy: 5.154084357008726
Energy: 5.154104773095566
Energy: 5.160131124156263
Energy: 5.152255516877574
Energy: 5.157121748295855
Energy: 5.176289912372742
Energy: 5.15174566293336
Energy: 5.148108197487171
Energy: 5.199714318205937
Energy: 5.155860118621816
Energy: 5.181994341334524
Energy: 5.161055812507177
Energy: 5.170163091636723
Energy: 5.033303088879828
Energy: 5.029821039962051
Energy: 5.180239074307606
Energy: 5.175138059369724
Energy: 5.15536520361466
Energy: 5.179674338186426
Energy: 5.477508789385851
Energy: 5.00993662550054
Energy: 5.153731402115977
Energy: 5.200182741175723
Energy: 5.230327942907314
Energy: 5.180163832070506
Energy: 5.155270695874585
Energy: 5.267387721998827
Energy: 5.1485271025741834
Energy: 5.174337936015117
Energy: 4.908133220224268
Energy: 5.473886277796917
Energy: 5.180018599702255
Energy: 5.25334343626156
Energy: 5.180527200167521
Energy: 5.161952126316293
Energy: 5.1493848464589735
Energy: 5.155040733042681
Energy: 4.924615860891434
Energy: 5.1731820799388535
Energy: 5.154475914029807
Energy: 5.150272502429532
Energy: 5.1515510416691965
Energy: 5.1495141325474405
Energy: 5.151163791530486
Energy: 5.187121916191982
Energy: 5.151843042606506
Energy: 5.14928443497298
Energy: 4.898052185535578
Energy: 5.157651568947363
Energy: 5.1492286317869835
Energy: 5.170420509428721
Energy: 5.150776083031048
Energy: 5.158366096189955
Energy: 5.1550021595306745
Energy: 5.15345002353523
Energy: 5.155632950471442
Energy: 5.150258039351715
Energy: 5.156581561600765
Energy: 5.153350150001278
Energy: 5.160829347556132
Energy: 5.831132918533446
Energy: 5.455019162237809
Energy: 5.177230384122028
Energy: 5.4368137109609
Energy: 5.17927120524228
Energy: 5.177892397773618
Energy: 5.466306742304891
Energy: 5.155727217074561
Energy: 5.149335466870644
Energy: 5.830098404464538
Energy: 5.829291542585563
Energy: 5.143644926805562
Energy: 5.162507786104657
Energy: 5.820979036309002
Energy: 5.165830289313598
Energy: 5.160667135709635
Energy: 5.153169840727627
Energy: 5.177196393421804
Energy: 5.153507074088064
Energy: 5.157069724270713
Energy: 5.197304833394596
Energy: 5.1515398394024325
Energy: 5.166658303918383
Energy: 5.181667919949966
Energy: 5.150396659306469
Energy: 5.148140483514855
Energy: 5.1549459377389555
Energy: 5.151061408735822
Energy: 5.154233782423479
Energy: 4.999151327180538
Energy: 5.156449141875368
Energy: 5.159839483248743
Energy: 5.190272402285754
Energy: 5.151968503686912
Energy: 5.153816844363049
Energy: 5.161819020178381
Energy: 5.165599004559527
Energy: 5.4810230921341
Energy: 5.030722404003894
Energy: 5.157926425236386
Energy: 5.171548301082314
Energy: 5.158537366674415
Energy: 5.149811603771387
Energy: 5.035679420412323
Energy: 5.027120523924522
Energy: 5.176730710823969
Energy: 5.19869107984902
Energy: 5.227869012250653
Energy: 5.153574817442245
Energy: 5.194867917802306
Energy: 5.257602283023814
Energy: 5.180459667243469
Energy: 5.408493760522274

minimum gb energy = 4.898052185535578 eV
minimum distance =  1.98719634583401 Angstroms
sigma value = 101


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

Energy: 5.146231408926979
Energy: 5.136100001192316
Energy: 5.136266688331296
Energy: 5.135051807957382
Energy: 5.137815208796121
Energy: 5.155835076513337
Energy: 5.139338027904469
Energy: 5.162831172845889
Energy: 5.165876308474745
Energy: 5.145833397605139
Energy: 5.1581425925111075
Energy: 5.148549663325522
Energy: 5.15492702577363
Energy: 5.158036073265373
Energy: 5.130387425715666
Energy: 5.128597137586955
Energy: 5.154475738422626
Energy: 5.157333225416905
Energy: 5.147538383062497
Energy: 5.152699946279989
Energy: 5.148696581549908
Energy: 5.166178557810288
Energy: 5.1584816425505045
Energy: 5.155429469591487
Energy: 5.121325922586487
Energy: 5.154134086225597
Energy: 5.1454839057536494
Energy: 5.155289390044405
Energy: 5.146557666436081
Energy: 5.134958642641331
Energy: 5.152589205735248
Energy: 5.15589892711242
Energy: 5.155593569567676
Energy: 5.147700990040493
Energy: 5.150356202828489
Energy: 5.156513036672433
Energy: 5.1583004222422515
Energy: 5.655908722611304
Energy: 5.6509155146534
Energy: 5.716984367723484
Energy: 5.65300107604501
Energy: 5.165430963239488
Energy: 5.165693663023274
Energy: 5.169765997465906
Energy: 5.152262798465646
Energy: 5.14995640302314
Energy: 5.1537752387924165
Energy: 5.166585786847542
Energy: 5.145941130045929
Energy: 5.658920646463355
Energy: 5.651375001214764
Energy: 5.150803782004434
Energy: 5.662588649822181
Energy: 5.647890740658972
Energy: 5.154205596023916
Energy: 5.162352373759965
Energy: 5.1588833404647465
Energy: 5.150705783134125
Energy: 5.658711148067987
Energy: 5.154491919379296
Energy: 5.159259329688677
Energy: 5.155913096478845
Energy: 5.1637090538296455
Energy: 5.164638627292688
Energy: 5.164610165711138
Energy: 5.155957655700609
Energy: 5.156151399873634
Energy: 5.301629707208152
Energy: 5.1517369641996815
Energy: 5.136699579620129
Energy: 5.1525159403173655
Energy: 5.15306544677943
Energy: 5.162613946959324
Energy: 5.160855225810919
Energy: 5.155685585491193
Energy: 5.107993301818896
Energy: 5.15542679670074
Energy: 5.156121666717966
Energy: 5.1562291876909665
Energy: 5.150152700008106
Energy: 5.159739234045376
Energy: 5.1362249159226
Energy: 5.15532031981603
Energy: 5.156380349045165
Energy: 5.149964755228333
Energy: 5.15485562870886
Energy: 5.1515515805880465
Energy: 5.148544588605223
Energy: 5.15481582780434
Energy: 5.130197390759235
Energy: 5.127840220391043
Energy: 5.302066153645771
Energy: 5.159598555690297
Energy: 5.1493466059089394
Energy: 5.154122640569525
Energy: 5.149239920234216
Energy: 5.134518393146395
Energy: 5.154640043207949
Energy: 5.129076063857495
Energy: 5.128204338426233
Energy: 5.155339399323049
Energy: 5.133528568146589
Energy: 5.147748457167481
Energy: 5.151470713267794
Energy: 5.153740635323387
Energy: 5.128331281025946
Energy: 5.143813018084718
Energy: 5.16534872931866
Energy: 5.12954574736404
Energy: 5.154433188582384
Energy: 5.152474153167745
Energy: 5.155514502971388
Energy: 5.154091478629603
Energy: 5.1360615004769175
Energy: 5.13774238675381
Energy: 5.341430843191713
Energy: 5.146024935021529
Energy: 5.154293172837826
Energy: 5.146167061876418
Energy: 5.15915247731072
Energy: 5.145868562866113
Energy: 5.14924667918653
Energy: 5.149885287077394
Energy: 5.114613190379173
Energy: 5.146476969262875
Energy: 5.155149226902116
Energy: 5.152689361095791
Energy: 5.147906502719414
Energy: 5.1547011446980875
Energy: 5.152271466200971
Energy: 5.1532122075401885
Energy: 5.145036681803448
Energy: 5.151662619158182
Energy: 5.656481464841467
Energy: 5.157943888023198
Energy: 5.168920656586245
Energy: 5.660840721819598
Energy: 5.651917764060349
Energy: 5.14500389279403
Energy: 5.1553122342115145
Energy: 5.649903022687468
Energy: 5.156353556168442
Energy: 5.659185332295125
Energy: 5.1565324776755945
Energy: 5.151212071108929
Energy: 5.6572330270044375
Energy: 5.6505975762807825
Energy: 5.154497836339993
Energy: 5.6520951663150845
Energy: 5.154172105833529
Energy: 5.132938979374057
Energy: 5.659140903545231
Energy: 5.174956361931124
Energy: 5.1661916407398705
Energy: 5.6576519245505885
Energy: 5.6462899206339765
Energy: 5.155952384291903
Energy: 5.160186500537475
Energy: 5.159313288832696
Energy: 5.158624838496679
Energy: 5.1758263817013415
Energy: 5.153605402819633
Energy: 5.151326436852113
Energy: 5.150355713883861
Energy: 5.1533530940539025
Energy: 5.158042561125264
Energy: 5.153869725876366
Energy: 5.156841288904079
Energy: 5.132555116380598
Energy: 5.152190077354985
Energy: 5.149297993395867
Energy: 5.163746277904393
Energy: 5.15334663403145
Energy: 5.316762736569245
Energy: 5.112103721929225
Energy: 5.154255169539469
Energy: 5.158800512206498
Energy: 5.155387527114444
Energy: 5.147695638821601
Energy: 5.157159557789826
Energy: 5.155885785690808
Energy: 5.14633687477157
Energy: 5.156338683355943
Energy: 5.147144801829782
Energy: 5.151980072887402
Energy: 5.154693341833746
Energy: 5.139307595611925
Energy: 5.153366530725256
Energy: 5.154302290759644
Energy: 5.147233083227083
Energy: 5.150501776260262
Energy: 5.124066765475846
Energy: 5.133806844334713
Energy: 5.156157409148427
Energy: 5.163540440034466
Energy: 5.136078834919966
Energy: 5.155599597720415
Energy: 5.1386131462866595

minimum gb energy = 5.107993301818896 eV
minimum distance =  1.99489098813582 Angstroms
sigma value = 33


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

Energy: 0.05974343743797555
Energy: 0.17510663126441403
Energy: 0.18162066821754144
Energy: 0.18740879056761564
Energy: 0.17018823927710974
Energy: 0.09546235739615751
Energy: 0.5145839391357345
Energy: 0.512681068723498
Energy: 0.5503051105488848
Energy: 0.5181080536208678
Energy: 0.5138553695911029
Energy: 0.5368659066312689
Energy: 3.3610818648850365
Energy: 0.17491245043458314
Energy: 0.10717982004221109
Energy: 0.06506350226542679
Energy: 0.17059430231908115
Energy: 0.18976280675993898
Energy: 0.06130426759242155
Energy: 0.5126810687206246
Energy: 0.5503051105508002
Energy: 0.5181080536274657
Energy: 0.5138553695901451
Energy: 0.536865906633078

minimum gb energy = 0.05974343743797555 eV
minimum distance =  2.10963869102469 Angstroms
sigma value = 1