Model name: model_name=Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0415970236062995
cohesive_energy=3.3700537750426105
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 5.0279827563514794e-21, 1.23739305797088e-19, 2.4648846643436395e-19, 3.2945878560268796e-19, 3.80159665185618e-19, 4.08265047699246e-19, 4.2806154218894997e-19, 4.453185867137639e-19, 4.60407886252776e-19, 4.7361783260010595e-19, 4.85177537014416e-19, 4.95269647631982e-19, 5.040447690563999e-19, 5.116294732417559e-19, 5.181311060225279e-19, 5.2363938929022e-19, 5.28232829699898e-19, 5.319803208468239e-19, 5.34941143266456e-19, 5.371681687877159e-19, 5.38711064886258e-19, 5.396082838012979e-19, 5.39899879948686e-19, 5.391548678138759e-19, 5.3672917239e-19, 5.32385671535226e-19, 5.2589365181425795e-19, 5.17035217204872e-19, 5.05605289097916e-19, 4.91405197590774e-19, 4.74234670604196e-19, 4.538726077626899e-19, 4.3005625209828e-19, 4.02465168284166e-19, 3.70689199102044e-19, 3.3422686326547197e-19, 2.92459720593726e-19, 2.44657178541702e-19, 1.89792241887006e-19, 1.237213614187872e-19, 4.2542596162601996e-20, -6.88658776062318e-20, -2.5288755991056e-19, -5.183730346942619e-19, -8.633617184103119e-19, -1.286190551712618e-18, -1.78831751533812e-18, -2.40252794974836e-18, -3.3014451720204e-18, -4.6151499030687e-18, -6.73011919054674e-18, -1.025167138854606e-17, -1.6741143648665997e-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: 0.012736192113137187
Energy: 0.0134378758158889
Energy: 0.5690775056187654
Energy: 0.5690527076258608
Energy: 0.5107504783385908
Energy: 0.50913638609648
Energy: 0.013497980079417918
Energy: 0.014133844241335585
Energy: 0.5100726811453522
Energy: 0.1604667700819005
Energy: 0.3736565751747398
Energy: 0.37561824704326696
Energy: 0.013123626541590822
Energy: 0.1096200304191929
Energy: 0.01321692423064782
Energy: 0.500272999187685
Energy: 0.5003693760221092
Energy: 0.4992078090141977
Energy: 0.3760701156122843
Energy: 0.11084407591006987
Energy: 0.10912863606477187
Energy: 0.014935259551582666
Energy: 0.37577472117168703
Energy: 0.500123877857506
Energy: 0.49984194381650143
Energy: 0.5108374133173478
Energy: 0.43955120467801173
Energy: 0.013461462663493016
Energy: 0.25176335582338866
Energy: 0.5099688210312394
Energy: 0.1603145764777834
Energy: 0.37384364082595084
Energy: 0.37567884455293504
Energy: 0.014531532860664175
Energy: 0.11028320201721892
Energy: 0.012883781226789159
Energy: 0.34610544419529854
Energy: 0.4990752105481648
Energy: 0.4994063430655275
Energy: 0.375691299601684
Energy: 0.1104378598238262
Energy: 0.10942455620919034

minimum gb energy = 0.012736192113137187 eV
minimum distance =  2.83645264398601 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 0.7900807888113203
Energy: 0.8686336913146266
Energy: 0.8521610680444895
Energy: 0.877192280833175
Energy: 0.9027591826955231
Energy: 0.8684115143237415
Energy: 0.8891858386366263
Energy: 0.8293697257376469
Energy: 0.8969404379178444
Energy: 0.8222243276339977
Energy: 0.9050358978252455
Energy: 0.8825830919931705
Energy: 0.8505242396719516
Energy: 0.8824365462017436
Energy: 0.8223045282019654
Energy: 0.899372702602973
Energy: 0.8332265232717123
Energy: 0.9036553474660068
Energy: 0.9138888930621826
Energy: 0.8423808080970374
Energy: 0.8837883978609369
Energy: 0.7813585557349313
Energy: 0.9281540650788307
Energy: 0.7704591575188883
Energy: 0.8490299072461375
Energy: 0.8664843427132848
Energy: 0.8227453025383041
Energy: 0.9236378252170886
Energy: 0.8420188075854267
Energy: 0.892316685118312
Energy: 0.7964327395470502
Energy: 0.8218187651053859
Energy: 0.8530965494845604
Energy: 0.8590392321648781
Energy: 0.9421201200339329
Energy: 0.9169218554958224
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Energy: 0.8200538893387106
Energy: 0.8127479238684547
Energy: 0.8804013589952799
Energy: 0.8688073745432487
Energy: 0.9323670022547136
Energy: 0.8289581285041695
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Energy: 0.8702829163855184
Energy: 0.8863327784114905
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Energy: 0.9542605953869728
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Energy: 0.8884538550759598
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Energy: 0.9353338339543583
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Energy: 0.8588664688272727
Energy: 0.7635127372050189
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Energy: 0.8323321530475074
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Energy: 0.8721131502476336
Energy: 0.8489809314409466
Energy: 0.8837126943314871
Energy: 0.8053736672243506
Energy: 0.9158500568681033
Energy: 0.7710088090314043
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Energy: 0.896051926482625
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Energy: 0.7242772661364987
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Energy: 0.8142484898011849
Energy: 0.8481308937700447
Energy: 0.8245760982513793
Energy: 0.8510372820878731
Energy: 0.8915522164087055
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Energy: 0.8964700830125358
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Energy: 0.8113409919107915
Energy: 0.7704604240942163
Energy: 0.8934852660964305
Energy: 0.8391654611761965
Energy: 0.8900405414447593
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Energy: 0.8408160325899596
Energy: 0.8738075686355954
Energy: 0.8523856547253522
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Energy: 0.863244632837063
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Energy: 0.8115474756920745
Energy: 0.830302307992978
Energy: 0.8714188902089864
Energy: 0.7974305680102812
Energy: 0.9406113632897984
Energy: 0.8230086034785283
Energy: 0.9006015012185643
Energy: 0.8047766692160926
Energy: 0.8509887065682921
Energy: 0.8416667335893608
Energy: 0.801020559012656
Energy: 0.902798769631851
Energy: 0.7494323755904391
Energy: 0.8740341869252292
Energy: 0.8159174885999974
Energy: 0.8646722894203548
Energy: 0.8913693682455411
Energy: 0.8244966427568601
Energy: 0.9041189020501477
Energy: 0.8086720547651318
Energy: 0.8692074732944536
Energy: 0.8305760712920359
Energy: 0.9525768187335061
Energy: 0.9353906665637872
Energy: 0.8548303710257933
Energy: 0.8750518726988052
Energy: 0.7517094948816522
Energy: 0.8736921889137256
Energy: 0.8490060439641997
Energy: 0.9522002544468346
Energy: 0.8432257520302382
Energy: 0.7772089145091846
Energy: 0.8708937828441653
Energy: 0.8043479942345712
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Energy: 0.8700312087425347
Energy: 0.8848602456343289
Energy: 0.8779351835129908
Energy: 0.8348254829257501
Energy: 0.8638679285954753

minimum gb energy = 0.7242772661364987 eV
minimum distance =  2.42792906454019 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.8134837658134729
Energy: 0.7676433926739495
Energy: 0.7861786269319079
Energy: 0.924856810222369
Energy: 0.8907631022452812
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Energy: 0.9334674695713856
Energy: 0.8373493488887772
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Energy: 0.7864906674796811
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Energy: 0.8247204453797455
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Energy: 0.8274881993959554
Energy: 0.855533435439881
Energy: 0.8393023313115615
Energy: 0.8494663593485094
Energy: 0.9074392422051503
Energy: 0.7956653638984046
Energy: 0.9988982519491426
Energy: 0.8471112697837214
Energy: 0.7906284271807412
Energy: 0.8212314577177392
Energy: 0.8433485310537165
Energy: 0.9497376871466698
Energy: 0.8087659292498035
Energy: 0.9679071957743715
Energy: 0.8474415806896601
Energy: 0.8350038514768624
Energy: 0.7563412114460539
Energy: 0.7892154740531976
Energy: 0.9453943486099871
Energy: 0.8243279195934066
Energy: 0.9013331326755896
Energy: 0.9307424588015996
Energy: 0.8375810994334821
Energy: 0.8049562521742827
Energy: 0.8424294275451981
Energy: 0.8893020758515573
Energy: 0.7699844211412151
Energy: 0.8577021023688594
Energy: 0.7914169547138684
Energy: 0.9194100440387935
Energy: 0.9018813838131561
Energy: 0.7961288681091302
Energy: 0.8654379277241951
Energy: 0.7623464959258518
Energy: 0.7674557411928016
Energy: 0.8109347235152172
Energy: 0.9865311119480002
Energy: 0.898428348125227
Energy: 0.8114343427055055
Energy: 0.8421079435091458
Energy: 0.7834786991334692
Energy: 0.7674517589081299
Energy: 0.8531268760810357
Energy: 0.9593791283119384
Energy: 0.9659205286259491
Energy: 0.861378518975419
Energy: 0.8170884509507037
Energy: 0.7847369822584854
Energy: 0.777109196213989
Energy: 0.8232201176263765
Energy: 0.9203578572807406
Energy: 0.9437808262219853
Energy: 0.9042978075896482
Energy: 0.7963748857919424
Energy: 0.7484678960183949
Energy: 0.8527820991300837
Energy: 0.7745026538013724
Energy: 0.8740062210016734
Energy: 0.9599178504969776
Energy: 0.8578618384785652
Energy: 0.8066711884482896
Energy: 0.8157542299230462
Energy: 0.8725417750894646
Energy: 0.7970476930390324
Energy: 0.8681023246120634
Energy: 0.8660456571321166
Energy: 0.8191491929126486
Energy: 0.8865886753368454
Energy: 0.7818838481917384
Energy: 0.933644134611197
Energy: 0.8140955634429833
Energy: 0.831748464168731
Energy: 0.8231390070456621
Energy: 0.8505501621385682
Energy: 0.8606700041947538
Energy: 0.7935961699994222
Energy: 0.993954473995466
Energy: 0.8060253626848607
Energy: 0.7492965448159448
Energy: 0.7692196247441103
Energy: 0.8742866893501204
Energy: 0.9079086221596557
Energy: 0.7939582280934234
Energy: 0.9270783019202776
Energy: 0.8458754725838313
Energy: 0.842612420702726
Energy: 0.7655595760462405
Energy: 0.7794955600105411
Energy: 0.9140536826314961
Energy: 0.8240928780375436
Energy: 0.941777389490565
Energy: 0.8070721642242715
Energy: 0.8208082817023608
Energy: 0.8046553275859151
Energy: 0.8429565546113457
Energy: 0.9100201906625713
Energy: 0.7700876985675441
Energy: 0.8896285490838439
Energy: 0.8251603590049245
Energy: 0.9092175486478394
Energy: 0.8960168705662832
Energy: 0.787869845038886
Energy: 0.8813674564700644
Energy: 0.7734177268033642
Energy: 0.7757412837620588
Energy: 0.812648064831407
Energy: 0.9590425962036169
Energy: 0.8678081117983194
Energy: 0.8932193542421444
Energy: 0.8447788493984777
Energy: 0.8203923003685605
Energy: 0.8321602692697164
Energy: 0.8647511126713934
Energy: 1.0241637301798256
Energy: 0.9739372187478584
Energy: 0.8299577503610936
Energy: 0.8529518192478792

minimum gb energy = 0.7402673077579064 eV
minimum distance =  2.48053559371114 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.7970908542579357
Energy: 0.8790962006328563
Energy: 0.7679387312566163
Energy: 0.8812463851641241
Energy: 0.8169943376182389
Energy: 0.8311901982304526
Energy: 0.9059777962897043
Energy: 0.7704270915398107
Energy: 0.8893596818394613
Energy: 0.8319232634475286
Energy: 0.7881450804270934
Energy: 0.8619129926160286
Energy: 0.8123288308115079
Energy: 0.9113722753428783
Energy: 0.7956594975832385
Energy: 0.8717296138504091
Energy: 0.8193628927608555
Energy: 0.8605061487810478
Energy: 0.8688295439228596
Energy: 0.8120247960133137
Energy: 0.8928531716685565
Energy: 0.8199531255924112
Energy: 0.9114571262123988
Energy: 0.8012699375296991
Energy: 0.8731197713419184
Energy: 0.83625660797292
Energy: 0.7832726864666777
Energy: 0.9057937809513757
Energy: 0.8169581533293602
Energy: 0.8677389790230944
Energy: 0.8425306574618384
Energy: 0.8319390985500114
Energy: 0.8662958180045381
Energy: 0.856852046343008
Energy: 0.9345094496519538
Energy: 0.8196234028774817
Energy: 0.8769499464777695
Energy: 0.8282069686016839
Energy: 0.8953660505009368
Energy: 0.8929544729505626
Energy: 0.8486126554938304
Energy: 0.928915838621449
Energy: 0.8000668433763284
Energy: 0.9034859759156917
Energy: 0.7849303465634784
Energy: 0.9248384545546533
Energy: 0.8603271763044098
Energy: 0.8258182361129842
Energy: 0.8957673683451949
Energy: 0.8125385926190238
Energy: 0.8926676902556889
Energy: 0.8196199702603303
Energy: 0.8579083804801982
Energy: 0.8742122083689394
Energy: 0.8698015015822186
Energy: 0.9041928053259795
Energy: 0.8139926991738662
Energy: 0.8562774975033871
Energy: 0.7887484597943587
Energy: 0.8610295263884299
Energy: 0.9058750921131488
Energy: 0.8188520647540626
Energy: 0.9032017380507431
Energy: 0.8135439269714335
Energy: 0.8972846425751257
Energy: 0.8082269967724627
Energy: 0.9065019058889013
Energy: 0.8699941232650802
Energy: 0.7943227866850266
Energy: 0.8762457143355213
Energy: 0.8268333496577083
Energy: 0.8917018251441776
Energy: 0.8669329386616563
Energy: 0.8587269538354949
Energy: 0.8639900197923157
Energy: 0.8350242880255594
Energy: 0.912057460972872
Energy: 0.8141194132120003
Energy: 0.8943287367124327
Energy: 0.8408640219434164
Energy: 0.827647343254812
Energy: 0.8263108853050163
Energy: 0.8338660924684197
Energy: 0.9248441820058317
Energy: 0.8093876919995594
Energy: 0.911753289473814
Energy: 0.7947131133354967
Energy: 0.9023664952536165
Energy: 0.8323223183573609
Energy: 0.8077711993952087
Energy: 0.9131697336113115
Energy: 0.847813940902656
Energy: 0.8774518847971816
Energy: 0.8244846008404869
Energy: 0.8398480376570927
Energy: 0.8820557671182464
Energy: 0.8059427312335662
Energy: 0.9227074415838002
Energy: 0.7949590735708667
Energy: 0.8764449306798434
Energy: 0.8177548754103584
Energy: 0.8943811064988136
Energy: 0.873949760906878
Energy: 0.8652837125101921
Energy: 0.8934381804123741
Energy: 0.761047448751775
Energy: 0.8647495237167043
Energy: 0.8042270188923867
Energy: 0.8682826601912117
Energy: 0.8876310032190071
Energy: 0.8001690744247563
Energy: 0.8941736840449392
Energy: 0.8071333703374962
Energy: 0.8704830145849538
Energy: 0.8489023789103111
Energy: 0.8395391952473391
Energy: 0.798686693148257
Energy: 0.8339059457423488
Energy: 0.9025607985335372
Energy: 0.7900184424639469
Energy: 0.8869194986873677
Energy: 0.8494919979228044
Energy: 0.876779762156081
Energy: 0.8725214174077761
Energy: 0.8483423697098218
Energy: 0.8927127641678869
Energy: 0.7776342304099957
Energy: 0.909425152365825
Energy: 0.8419568392858264
Energy: 0.8976056286414265
Energy: 0.9213623097473757
Energy: 0.8061991390085494
Energy: 0.8602825760653734
Energy: 0.7971504833110867
Energy: 0.9272938679504481
Energy: 0.847085281197812
Energy: 0.8689149216649886
Energy: 0.8568681049210056
Energy: 0.8221086515354193
Energy: 0.8799272995518022
Energy: 0.7792007355978595
Energy: 0.8949867804805413
Energy: 0.8193456602326754
Energy: 0.8816501879833378
Energy: 0.8714126702145639
Energy: 0.7920507238209098
Energy: 0.8666215096561943
Energy: 0.7774110448452289
Energy: 0.8661260201433096
Energy: 0.8167648404998404
Energy: 0.8258034088717123
Energy: 0.8530688765417336
Energy: 0.7910472400201272
Energy: 0.8973551410314518
Energy: 0.8200386186307328
Energy: 0.8790973961471498
Energy: 0.8106150554293238
Energy: 0.8205902188570401
Energy: 0.7985669830878532
Energy: 0.7794527177234664
Energy: 0.935483955494396
Energy: 0.810840012520505
Energy: 0.8498396531258059
Energy: 0.8302858550994143
Energy: 0.8899517159035728
Energy: 0.8349071515161548
Energy: 0.7976177607001514
Energy: 0.9107087809536484
Energy: 0.8096949058292263
Energy: 0.8812612581205739
Energy: 0.7807701767331544
Energy: 0.8827951400751184
Energy: 0.9049786675154737
Energy: 0.795647934387578
Energy: 0.908499889515765
Energy: 0.814730427337621
Energy: 0.9029945781324183
Energy: 0.7911732074554219
Energy: 0.8082115005547063
Energy: 0.8835106766416561
Energy: 0.8437605800173766
Energy: 0.8904083912115517
Energy: 0.8000936771434265
Energy: 0.8857381407396276
Energy: 0.8339180541670721
Energy: 0.8947229649295712
Energy: 0.8969135638704038
Energy: 0.8225156489928113
Energy: 0.8647777360833288
Energy: 0.7982259556022
Energy: 0.892611511258433
Energy: 0.8476456019357927
Energy: 0.8822170525656814
Energy: 0.8822317490687435
Energy: 0.7925274670258775
Energy: 0.8968512706278762
Energy: 0.8026386630667579
Energy: 0.8999596480705415
Energy: 0.839559833066663
Energy: 0.8311839693405675
Energy: 0.8373413982653372
Energy: 0.817639505227884
Energy: 0.9006029958145775
Energy: 0.7720049079249373
Energy: 0.9029921365917628
Energy: 0.8313273284407442
Energy: 0.8769281616793512
Energy: 0.8507939511404907
Energy: 0.8216903273937852
Energy: 0.8734165800473812
Energy: 0.7775659168995315
Energy: 0.9002793852664029
Energy: 0.786144136887181
Energy: 0.8659407357799895
Energy: 0.8421620679247956
Energy: 0.8717820607167701
Energy: 0.8979999840379312
Energy: 0.8133190664487426
Energy: 0.9044714891830891
Energy: 0.8246093380434982
Energy: 0.8327372508990369
Energy: 0.8319248712120948
Energy: 0.7952658143095248
Energy: 0.896785462991515
Energy: 0.7868019254903489
Energy: 0.8759969942790939
Energy: 0.7867927382914038
Energy: 0.8542069405918047
Energy: 0.85112683766654
Energy: 0.8278354181074207
Energy: 0.8975420150593632
Energy: 0.8252243147408908
Energy: 0.864682895770247
Energy: 0.8212007223853948
Energy: 0.8780216112433196
Energy: 0.863982342219165
Energy: 0.8259800551108856
Energy: 0.9200621775583789
Energy: 0.8406494007795899
Energy: 0.8685139787655033
Energy: 0.821538327062869
Energy: 0.8574971668075346
Energy: 0.851221291647489
Energy: 0.8106709129237087
Energy: 0.9018946690198146
Energy: 0.8246987746845432
Energy: 0.8808437579284737
Energy: 0.7703554067066399
Energy: 0.8819136187105819
Energy: 0.8761071515451246
Energy: 0.8229292756526893
Energy: 0.9214870135659101

minimum gb energy = 0.761047448751775 eV
minimum distance =  2.41361985114383 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.6778353601702822
Energy: 0.7578420154614995
Energy: 0.8637678628147084
Energy: 0.8752424841001006
Energy: 0.8885207713805144
Energy: 0.8694285083764188
Energy: 0.7643288813660372
Energy: 0.6724554441786318
Energy: 0.7782553315190681
Energy: 0.7986395150971206
Energy: 0.7445199851783051
Energy: 0.7372289972570358
Energy: 0.7403252662183892
Energy: 0.9544311977006232
Energy: 0.9970854909399712
Energy: 0.8043459164558807
Energy: 0.7558350124621769
Energy: 0.7495000986989845
Energy: 0.7358634050932295
Energy: 0.6899134434969728
Energy: 0.9459662223239814
Energy: 0.6913652614333448
Energy: 0.8381229818030458
Energy: 0.7305768407400517
Energy: 0.7595974349270199
Energy: 0.7443594894262119
Energy: 0.7306165767063388
Energy: 0.8190946534960063
Energy: 0.7319282800607485
Energy: 0.734375648959234
Energy: 0.7541047710037125
Energy: 0.764112222300719
Energy: 0.8626685721327498
Energy: 0.8712653799495509
Energy: 0.6817746116693784
Energy: 0.6696015843214508
Energy: 0.7372550822089767
Energy: 0.8028632101896519
Energy: 0.8645042843397447
Energy: 0.7477103640892772
Energy: 0.7130053039522268
Energy: 0.737412606427148
Energy: 0.8491739018175942
Energy: 0.8940421095867146
Energy: 0.8718066002391379
Energy: 0.8263194252914217
Energy: 0.6462515249834321
Energy: 0.648427225251026
Energy: 0.9326995288445177
Energy: 0.6484586848702579
Energy: 0.876059181826791
Energy: 0.7885432047882247
Energy: 0.846203209454504
Energy: 0.7643803335022892
Energy: 0.8630770230292061
Energy: 0.7241095799855353
Energy: 0.64836033234027
Energy: 0.8758673082522295
Energy: 0.8199864022406586
Energy: 0.815809820838579
Energy: 0.7627809412469139
Energy: 0.8436403664092549
Energy: 0.8266944362748153
Energy: 0.859064005708236
Energy: 0.9342783244578092
Energy: 0.7425277219137436
Energy: 0.7455264170758856
Energy: 0.7336997156898559
Energy: 0.7404759087751804
Energy: 0.8689447121665214
Energy: 0.6899639524915809
Energy: 0.8666747233203879
Energy: 0.7513258669770994
Energy: 0.7493904331310113
Energy: 0.7450045240562242
Energy: 0.6895739832915517
Energy: 0.8609272896368547
Energy: 0.7163236909920863
Energy: 0.6963598385170818
Energy: 0.7659669884784809
Energy: 0.7549677770370392
Energy: 0.7489361050904839
Energy: 0.7981208765359552
Energy: 0.8398055466285924
Energy: 0.6480346299750205
Energy: 0.7363850023111259
Energy: 0.7442861374363093
Energy: 0.8193245867077964
Energy: 0.7656473882412925
Energy: 0.8529967892219686
Energy: 0.7271467987085869
Energy: 0.8091420112761879
Energy: 0.7691966973125702
Energy: 0.7879936900115979
Energy: 0.8603723225998767
Energy: 0.6485082514891153
Energy: 0.6489644073650883
Energy: 0.9566804074594687
Energy: 0.6722890906864247
Energy: 0.8649042728471087
Energy: 0.8495420157114261
Energy: 0.8570622957622075
Energy: 0.6475519117408435
Energy: 0.6394649475171846
Energy: 0.802043919706966
Energy: 0.6775190453156783
Energy: 0.786035383256076
Energy: 0.8171981909862726
Energy: 0.7384034522450011
Energy: 0.8604890059751942
Energy: 0.88602001342451
Energy: 0.643847626939989
Energy: 0.7106196972795639
Energy: 0.7783586271137103
Energy: 0.7997364603309969
Energy: 0.7445340592425559
Energy: 0.7373007026319084
Energy: 0.7403400186876999
Energy: 0.9467958669112895
Energy: 0.9975190739290134
Energy: 0.8045610802650285
Energy: 0.7551883433190035
Energy: 0.7487183551472706
Energy: 0.7362020245808413
Energy: 0.6899903762913412
Energy: 0.9289611608903955
Energy: 0.6906880118069264
Energy: 0.8392125366115544
Energy: 0.7306775242078687
Energy: 0.7543753031986533
Energy: 0.7439966248752107
Energy: 0.8183705894381209
Energy: 0.8204484933449842
Energy: 0.7335495030364287
Energy: 0.734337851618442
Energy: 0.7548439818459679
Energy: 0.7635590769253123
Energy: 0.8978599622483956
Energy: 0.8714075378469301
Energy: 0.6846430597238929
Energy: 0.6696611490598486
Energy: 0.7497207860055906
Energy: 0.8032933201255184
Energy: 0.8647598201045601
Energy: 0.7479237547291908
Energy: 0.6586678974224658
Energy: 0.7374171198082673
Energy: 0.8508393711159279
Energy: 0.8793237840849686
Energy: 0.8720339840379697
Energy: 0.8263349514973417
Energy: 0.6443598127222807
Energy: 0.6498301698266746
Energy: 0.9394013268233498
Energy: 0.6735440579765476
Energy: 0.8757955889853652
Energy: 0.8159642527115808
Energy: 0.8458970737423958
Energy: 0.7647766702102089
Energy: 0.8609096561904903
Energy: 0.7239304589461719
Energy: 0.6482976641238313
Energy: 0.869904311729927
Energy: 0.8201729071008729
Energy: 0.8165223526863863
Energy: 0.7627363778207945
Energy: 0.8450792035945319
Energy: 0.7373177712775467
Energy: 0.8600528922096181
Energy: 0.9341385550946575
Energy: 0.7428280679820177
Energy: 0.7452557097084178
Energy: 0.7342746448168939
Energy: 0.6912790426784913
Energy: 0.6835626809577043
Energy: 0.6896020039361859
Energy: 0.8671967189829562
Energy: 0.7515311063099268
Energy: 0.7516836839824108
Energy: 0.7453083313989075
Energy: 0.748050561040713
Energy: 0.7856984785217228
Energy: 0.7198826043153843
Energy: 0.6964554021592544
Energy: 0.7652644376670144
Energy: 0.7716785975774993
Energy: 0.7570826356046639
Energy: 0.7997452408296493
Energy: 0.8364853574686445
Energy: 0.6483530418683405
Energy: 0.7363130254427035
Energy: 0.7504978681428476
Energy: 0.8182445634139722
Energy: 0.7657304417176933
Energy: 0.8536485558065258
Energy: 0.7269253709202084
Energy: 0.8070065776069366
Energy: 0.7692723452710156
Energy: 0.7875322070412283
Energy: 0.8595295424279819
Energy: 0.6484908817399285
Energy: 0.6487004139533425
Energy: 0.959336930262214
Energy: 0.6723740886250869
Energy: 0.8644236421268554
Energy: 0.8497250651832073
Energy: 0.8121635879860809
Energy: 0.6474205118738673
Energy: 0.6481221731694291
Energy: 0.8014662643734937

minimum gb energy = 0.6394649475171846 eV
minimum distance =  2.49775238558908 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.8963810068121981
Energy: 0.921648183617587
Energy: 0.86420839826477
Energy: 0.9399953367855001
Energy: 0.8243027260758088
Energy: 0.7823448364934429
Energy: 0.9255045604729806
Energy: 0.720876707708186
Energy: 0.9538600711522154
Energy: 0.9472675106250471
Energy: 0.8169963266163982
Energy: 0.8505286403366908
Energy: 0.8167205292161276
Energy: 0.9327023881923174
Energy: 0.8044165819812809
Energy: 0.8606588280985995
Energy: 0.8177986153584058
Energy: 0.8513271947854573
Energy: 0.8771627749474303
Energy: 0.7733610612997077
Energy: 0.9349197496233544
Energy: 0.7870043987729755
Energy: 0.8295829919286382
Energy: 0.7409022442540049
Energy: 0.8300817550665911
Energy: 0.8001977249908959
Energy: 0.7375150557269351
Energy: 0.884938468642452
Energy: 0.692081099497103
Energy: 0.7230944472311569
Energy: 0.7588139295503245
Energy: 0.8754701469400745
Energy: 0.9141047994443198
Energy: 0.7834342834454693
Energy: 0.75338581070711
Energy: 0.652440439053048
Energy: 0.7684929025481028
Energy: 0.7685618353088993
Energy: 0.8629561991383572
Energy: 0.8696964632574529
Energy: 0.8531781464864038
Energy: 0.8152450571798964
Energy: 0.848351363119999
Energy: 0.8642361273217798
Energy: 0.7090135908434531
Energy: 0.723061260825368
Energy: 0.6902878465518337
Energy: 0.6442155636501145
Energy: 0.8317044087505121
Energy: 0.7890388223571797
Energy: 0.8587951584050119
Energy: 0.7058949560256782
Energy: 0.7704259707837725
Energy: 0.8246344641896692
Energy: 0.7723230795048098
Energy: 0.9120899778091607
Energy: 0.6881332488868469
Energy: 0.8067149555185298
Energy: 0.8326048877500459
Energy: 0.8369076039043097
Energy: 0.8608473160191982
Energy: 0.9341500086347923
Energy: 0.9322422777993624
Energy: 0.8367323506856434
Energy: 0.8548065804087582
Energy: 0.7081442716847338
Energy: 0.8892419304359332
Energy: 0.8103665575094033
Energy: 0.768008589230606
Energy: 0.922188871673585
Energy: 0.7714020606260095
Energy: 0.9134414920715771
Energy: 0.7439796163700624
Energy: 0.9228928454818227
Energy: 0.674350462571784
Energy: 0.6889234870787566
Energy: 0.9143650851050034
Energy: 0.8277032427713563
Energy: 1.0084993143726912
Energy: 0.8547513611142733
Energy: 0.931102319348955
Energy: 0.8632922473534226
Energy: 0.8482074233457404
Energy: 0.9504726426141492
Energy: 0.873495733545943
Energy: 0.8398065795470879
Energy: 0.8206660631622432
Energy: 0.9057700457486904
Energy: 0.851023037588932
Energy: 0.7471868960764827
Energy: 0.9391665664338947
Energy: 0.6416057399098147
Energy: 0.8814734435883271
Energy: 0.7055648175994829
Energy: 0.7943605494344015
Energy: 0.8258259006255202
Energy: 0.8814318974022395
Energy: 0.9193913845835373
Energy: 0.7924733749712998
Energy: 0.8937802439042397
Energy: 0.747982403185902
Energy: 0.8488102013143984
Energy: 0.8780102536191423
Energy: 0.7842251845155791
Energy: 0.9402832424626291
Energy: 0.9447544770479932
Energy: 0.8304342022053506
Energy: 0.7351983295035805
Energy: 0.8474672268066166
Energy: 0.8064256362789488
Energy: 0.8188178262938629
Energy: 0.8638942144821704
Energy: 0.6922800063277281
Energy: 0.8178471707276812
Energy: 0.716536314225821
Energy: 0.8052307935120749
Energy: 0.8543926127507789
Energy: 0.7508138872660447
Energy: 0.8774174430811131
Energy: 0.6519775505799285
Energy: 0.6895175775205644
Energy: 0.8068971931658355
Energy: 0.8567890114600746
Energy: 0.8194258387796347
Energy: 0.8401955542619459
Energy: 0.791853998211828
Energy: 0.7542071628042463
Energy: 0.7370631802815851
Energy: 0.7439217712941021
Energy: 0.78722775585094
Energy: 0.6743532062850359
Energy: 0.6441944268222835
Energy: 0.9087973948825576
Energy: 0.7956734319890262
Energy: 0.9010166469729685
Energy: 0.7254865029869105
Energy: 0.8107478685230964
Energy: 0.7503765624126464
Energy: 0.6844135065849729
Energy: 0.8810933886197637
Energy: 0.7083759460264518
Energy: 0.9011849731348924
Energy: 0.8194285626563331
Energy: 0.8509949677136077
Energy: 0.8148721880878819
Energy: 0.8099990130167415
Energy: 0.867198022319003
Energy: 0.8447978748005742
Energy: 0.8397290529030943
Energy: 0.7090870491771517
Energy: 0.810167513037738
Energy: 0.8641354131240642
Energy: 0.8120372492502355
Energy: 0.9140326477897815
Energy: 0.8219818212999817
Energy: 0.810999071509279
Energy: 0.8744165188174295
Energy: 0.8931366398769589
Energy: 0.7716547926829743
Energy: 0.7090069751617054
Energy: 0.9295113101305554
Energy: 0.7893711715420663
Energy: 0.879093250707269
Energy: 0.7715295829908774
Energy: 0.9114381716960114
Energy: 0.8637862935764654
Energy: 0.8492861604267011
Energy: 0.9514326766150579
Energy: 0.6408001107935324
Energy: 0.9068807642926251
Energy: 0.893017563533714
Energy: 0.8408710877117096
Energy: 0.9169277614213489
Energy: 0.7448590902223415
Energy: 0.9045860813391906

minimum gb energy = 0.6408001107935324 eV
minimum distance =  2.45289310610954 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.893358598242408
Energy: 0.9546808517717159
Energy: 0.9070801351480562
Energy: 0.9477202515965655
Energy: 0.9281759151691789
Energy: 0.8750451854365339
Energy: 0.9898229130457737
Energy: 0.8828522322966068
Energy: 0.9812182763787161
Energy: 0.8878802637384166
Energy: 0.9679247121221812
Energy: 0.9718684222349482
Energy: 0.8783149828178112
Energy: 0.9847366516269694
Energy: 0.9215967122172737
Energy: 0.9226052868238891
Energy: 0.8428435434792502
Energy: 0.888797650129426
Energy: 0.8810892766310147
Energy: 0.8247816140080773
Energy: 1.0086784007328753
Energy: 0.8737981191944311
Energy: 0.9500120100566226
Energy: 0.8320434886095954
Energy: 0.9077097883365077
Energy: 0.8858798652597807
Energy: 0.8433323974141347
Energy: 0.9436136469251208
Energy: 0.8022572884244796
Energy: 0.9125717434338549
Energy: 0.909840287024784
Energy: 0.9470851670392167
Energy: 0.9748871745614757
Energy: 0.9070185733187306
Energy: 0.8783586267260873
Energy: 0.7314487552933417
Energy: 0.8393441043598316
Energy: 0.8525225445037997
Energy: 0.8783431282866926
Energy: 0.8314644989318339
Energy: 0.8205833536970788
Energy: 0.8762934369138181
Energy: 0.8598253175430546
Energy: 0.8889598354533294
Energy: 0.9090464918453522
Energy: 0.8590890491181686
Energy: 0.8406912953501098
Energy: 0.8604367101188647
Energy: 0.8742252484098818
Energy: 0.8533794178907248
Energy: 0.8543566401740417
Energy: 0.8806608458054646
Energy: 0.8753968593512895
Energy: 0.8730991508139792
Energy: 0.845451476754274
Energy: 0.8335077811480761
Energy: 0.8362660055959158
Energy: 0.8842434979014767
Energy: 0.8329285522384509
Energy: 0.8420549135869089
Energy: 0.8532046715854406
Energy: 0.8471986524981454
Energy: 0.8802750201304015
Energy: 0.8136418590141333
Energy: 0.805113415233506
Energy: 0.8608539835025126
Energy: 0.8716229708223832
Energy: 0.9385982464063014
Energy: 0.9175974460420201
Energy: 0.809106780654099
Energy: 0.8355800194743986
Energy: 0.8624710531243462
Energy: 0.8719602550379906
Energy: 0.9111404192961897
Energy: 0.8541418870722608
Energy: 0.8001975898032726
Energy: 0.844499922849356
Energy: 0.8420765122915741
Energy: 0.9028386267018996
Energy: 0.8372610244912169
Energy: 0.8509832029630067
Energy: 0.8235050074046248
Energy: 0.8075093731996286
Energy: 0.8631393601420909
Energy: 0.866731374923667
Energy: 0.8509932417737979
Energy: 0.8428581899233046
Energy: 0.8241141717040373
Energy: 0.8695566972942482
Energy: 0.8147154366239371
Energy: 0.8565848529510848
Energy: 0.8271950865184192
Energy: 0.8173103069655089
Energy: 0.8565057614775041
Energy: 0.8823252280397488
Energy: 0.905875092206054
Energy: 0.8795863876153239
Energy: 0.8479397603938146
Energy: 0.7956913126322221
Energy: 0.8410836492483899
Energy: 0.832039674169771
Energy: 0.8832025396680835
Energy: 0.8746540158818242
Energy: 0.8755240174286838
Energy: 0.8826643596734111
Energy: 0.7797356936442981
Energy: 0.8558179364838956
Energy: 0.9048580641441637
Energy: 0.9126471404048702
Energy: 0.8840711834082973
Energy: 0.8840080668102289
Energy: 0.891567844702432
Energy: 0.8894453288755323
Energy: 0.9452316624096363
Energy: 0.8683265288823526
Energy: 0.8752698595586897
Energy: 0.8369504319608716
Energy: 0.8197526839796834
Energy: 0.8826488262738199
Energy: 0.7646286243171057
Energy: 0.9188437506132742
Energy: 0.8457072139714225
Energy: 0.8887163843229282
Energy: 0.8271898731349168
Energy: 0.83726721554504
Energy: 0.8972151442076762
Energy: 0.8874326307591135
Energy: 0.9531581611319213
Energy: 0.8711225652930091
Energy: 0.9391523440829448
Energy: 0.9583218217769582
Energy: 0.977631624633814
Energy: 0.924053830308881
Energy: 0.8591438040715034
Energy: 0.9306892362364239
Energy: 0.858245387353047
Energy: 0.9253765183271168
Energy: 0.9165864401244319
Energy: 0.8747462231300991
Energy: 0.9771802917206757
Energy: 0.8904818410541163
Energy: 0.9641492933487134
Energy: 0.8450371969088447
Energy: 0.9306015923326618
Energy: 0.9356832417597953
Energy: 0.7871354760761782
Energy: 0.9890804574251333
Energy: 0.857262097055736
Energy: 1.0021664509369492
Energy: 0.8685197557604514
Energy: 0.9833243987613765
Energy: 0.8537258736841424
Energy: 0.7929270494878947
Energy: 0.9984716840545096
Energy: 0.7229304837480569
Energy: 0.940382053296182
Energy: 0.9232514359715384
Energy: 0.9428006046457968
Energy: 0.9138470932209142
Energy: 0.8806161543683063
Energy: 0.9544594841483496
Energy: 0.9163384040699714
Energy: 1.0261624949347372
Energy: 0.9223667934323646
Energy: 0.966579465443723
Energy: 0.9720851993160925
Energy: 0.9051155820460378
Energy: 0.9678068603415493
Energy: 0.8748873785053818
Energy: 0.9167599866372713
Energy: 0.8738134581510147
Energy: 0.8896123183411797
Energy: 0.8727133221308181
Energy: 0.8320490826033229
Energy: 0.9360093630995729
Energy: 0.8689965373572797
Energy: 0.9508142418612294
Energy: 0.8324288738017219
Energy: 0.8850481872414585
Energy: 0.8857803880250233
Energy: 0.8370194844883875
Energy: 0.9576586099185946
Energy: 0.8252852508575287
Energy: 0.9144887799555494
Energy: 0.8940252347478156
Energy: 0.9449706169399861
Energy: 0.9405550398093347
Energy: 0.9087062714259367
Energy: 0.8761150563148353
Energy: 0.7295929401982122
Energy: 0.8359515545005268
Energy: 0.8615007964973977
Energy: 0.8831259617672763
Energy: 0.8301227134459408
Energy: 0.8255682464273351
Energy: 0.8578995058680882
Energy: 0.8735691472252957
Energy: 0.9225951675084066
Energy: 0.918819531791863
Energy: 0.8858278146618227
Energy: 0.8685627866526101
Energy: 0.8972634713742227
Energy: 0.8870069774325812
Energy: 0.8712364854109336
Energy: 0.8696386937278942
Energy: 0.8542544159695454
Energy: 0.8831162426291103
Energy: 0.8617260134450114
Energy: 0.8260985082861211
Energy: 0.87066290857837
Energy: 0.8126370069876998
Energy: 0.881501923893092
Energy: 0.8260582703011469
Energy: 0.8819932302057062
Energy: 0.85263126876903
Energy: 0.8412490429433492
Energy: 0.8765842999680579
Energy: 0.8518154978863838
Energy: 0.8659754394693602
Energy: 0.8610750504504341
Energy: 0.882383265361948
Energy: 0.9006397307053108
Energy: 0.8100906854760531
Energy: 0.8019247860998782
Energy: 0.8319646359233086
Energy: 0.8413452741076244
Energy: 0.8762294672354707
Energy: 0.8933534902873965
Energy: 0.9013399502744808
Energy: 0.8860600821411208
Energy: 0.828053141222538
Energy: 0.8375559672320387
Energy: 0.9156579144430664
Energy: 0.8403332327296371
Energy: 0.8539730586743695
Energy: 0.8153462411704475
Energy: 0.8095861908011657
Energy: 0.8614251945699078
Energy: 0.8682576105276121
Energy: 0.8164252973291423
Energy: 0.8357954188783382
Energy: 0.8505154825403622
Energy: 0.8570910296214002
Energy: 0.832244799351447
Energy: 0.8548801031889848
Energy: 0.8279374247373975
Energy: 0.8190000980053661
Energy: 0.8840789789796538
Energy: 0.8879774227473756
Energy: 0.8563941138152407
Energy: 0.9250293835639986
Energy: 0.8443779547289988
Energy: 0.7835609628610544
Energy: 0.8470266555725291
Energy: 0.8352524307204618
Energy: 0.8272189843538726
Energy: 0.8788167711119967
Energy: 0.87766579219813
Energy: 0.8568580880030775
Energy: 0.8123587125333348
Energy: 0.8579789212103832
Energy: 0.8995093222827032
Energy: 0.9487373448176045
Energy: 0.8891850340291636
Energy: 0.8866430899255837
Energy: 0.8964514986962059
Energy: 0.8885896102430051
Energy: 0.941672777445617
Energy: 0.8667654846535591
Energy: 0.8711072256011645
Energy: 0.8471850805868416
Energy: 0.7974424369491048
Energy: 0.9402135856997881
Energy: 0.8329044471937366
Energy: 0.919801565971624
Energy: 0.8578716383467496
Energy: 0.8437379384060734
Energy: 0.8630204238168857
Energy: 0.832974304117909
Energy: 0.9152194568836483
Energy: 0.8850913497029027
Energy: 0.9585831277195789
Energy: 0.8909814695971755
Energy: 0.9153932372425458
Energy: 0.9403143487157826
Energy: 0.9770543349769393
Energy: 0.9237118036192145
Energy: 0.7921034518950665
Energy: 0.9333191865953823
Energy: 0.8713580499413154
Energy: 0.9097570900892653
Energy: 0.9171507854488391
Energy: 0.883687318233899
Energy: 0.9782820364274025
Energy: 0.8946335179121346
Energy: 0.9849291115632168
Energy: 0.8509174699350357
Energy: 0.9835347907595312
Energy: 0.8730126903280433
Energy: 0.7856568085782752
Energy: 0.9993875610415127
Energy: 0.8577312241941513
Energy: 0.9836431342251721
Energy: 0.8713765663118931
Energy: 0.9048548319534583
Energy: 0.9315205876113167
Energy: 0.7780073143253816
Energy: 0.9902953113692808
Energy: 0.7873845081160369
Energy: 0.9382021053988013
Energy: 0.8942114175696838
Energy: 0.9418396882035981
Energy: 0.9077535890602219
Energy: 0.8794717720214905
Energy: 0.9611286383484835

minimum gb energy = 0.7229304837480569 eV
minimum distance =  2.37698829242197 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.8420560724652065
Energy: 0.8253845204480234
Energy: 0.8124040616587347
Energy: 0.9116742497856442
Energy: 0.9134732245350909
Energy: 0.8125510882428436
Energy: 0.8247600281419559
Energy: 0.7888755678707043
Energy: 1.0122182279922534
Energy: 0.8344856081269073
Energy: 0.775922383914744
Energy: 0.8421731998483547
Energy: 0.8349837904074979
Energy: 1.011416200955948
Energy: 0.8195351011512927
Energy: 1.0117182097758426
Energy: 0.832777882448425
Energy: 0.8514292150582831
Energy: 0.8322562356658579
Energy: 0.8343718047883164
Energy: 0.7949136449396618
Energy: 0.8194391471050142
Energy: 0.9567197429184561
Energy: 0.8316462745265885
Energy: 0.8513416058351203
Energy: 0.8324785502422366
Energy: 0.8339154578007287
Energy: 0.827377420267251
Energy: 0.7887479265457281
Energy: 0.9463205882453166
Energy: 0.7991844512002478
Energy: 0.9873462321251917
Energy: 0.7758420543570381
Energy: 0.7987370074168414
Energy: 1.0034162446350252
Energy: 0.8161899565675252
Energy: 0.9182711557737758
Energy: 0.8299834240121169
Energy: 0.8626579344438222
Energy: 0.8406577728191796
Energy: 0.8308372518127899
Energy: 0.8258235824769179
Energy: 0.8198056040870613
Energy: 1.0128007201622342
Energy: 0.8349656001001183
Energy: 0.8160685298278566
Energy: 0.8322965606564873
Energy: 0.833634579047574
Energy: 1.0123734168865006
Energy: 0.8213294198937663
Energy: 1.0121927149174998
Energy: 0.8317164259487959
Energy: 0.8503363255629476
Energy: 0.7997551998889293
Energy: 0.8362600366190508
Energy: 1.012238779517038
Energy: 0.8182560673218677
Energy: 0.9127720642336126
Energy: 0.8293150728058438
Energy: 0.8610501808844863
Energy: 0.8320852787764682
Energy: 0.8293514852005595
Energy: 0.7931305669038622
Energy: 0.788403168909814
Energy: 0.9926603625547187
Energy: 0.798417147537716
Energy: 1.006012257761466
Energy: 1.006372448936312
Energy: 0.8024327324264547
Energy: 0.9916823026763579
Energy: 0.8180184531892575
Energy: 0.9126224137580975
Energy: 0.832798185504653
Energy: 0.8512071954884413
Energy: 0.8321253022745356
Energy: 0.8335032299367757
Energy: 0.8261169291879975
Energy: 0.8192347988129403
Energy: 1.012400655731029
Energy: 0.8301599591467624
Energy: 0.8159322017838931
Energy: 0.8322469503005876
Energy: 0.835337020683385
Energy: 1.0123043785285277
Energy: 0.8206961744194804
Energy: 1.0121920706996455
Energy: 0.8339178524730696
Energy: 0.8156497619688463
Energy: 0.8128353375391897
Energy: 0.8340481686587633
Energy: 1.0119238271097075
Energy: 0.8161246512494342
Energy: 0.9200254705317676
Energy: 0.8332797470914616
Energy: 0.8620799459751872
Energy: 0.912688459740726
Energy: 0.8316474395577157
Energy: 0.8249383024582242
Energy: 0.789023298786109
Energy: 0.9443241386638436
Energy: 0.7991689487470567
Energy: 0.7758879526668356
Energy: 0.8130969490204717
Energy: 0.8357285871558744
Energy: 1.0111462413669317
Energy: 0.8188248689647991
Energy: 1.0112993073440206
Energy: 0.832205395265323
Energy: 0.8512982012590844
Energy: 0.8325739124432614
Energy: 0.8332168584624883
Energy: 0.8273442335249224
Energy: 0.8179239709239245
Energy: 1.0113287495811842
Energy: 0.8327037599849035
Energy: 0.8513027536837057
Energy: 0.8325319971816282
Energy: 0.8338040710894372
Energy: 0.8598424176437663
Energy: 0.7891242655279497
Energy: 1.011605497608372
Energy: 0.8361477644818625
Energy: 0.8164520035055655
Energy: 0.8145919367751172
Energy: 0.8351652404767281
Energy: 1.01110175161454
Energy: 0.8127134742307444
Energy: 0.9180824348075256
Energy: 0.8282640434327545
Energy: 0.9133470570301416
Energy: 0.9111994897356638
Energy: 0.8322485582957866
Energy: 0.8248276113455892
Energy: 0.8202830060728779
Energy: 1.0119832950139396
Energy: 0.8349308023848552
Energy: 0.8176777733685855
Energy: 0.8420710069279357
Energy: 0.834492254718454
Energy: 1.011935836805731

minimum gb energy = 0.7758420543570381 eV
minimum distance =  2.41130514613403 Angstroms
sigma value = 23