Model name: model_name=Tersoff_LAMMPS_PlummerRathodSrivastava_2021_TiAlC__MO_992900971352_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
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=120.0
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: 0.011765190308404632
Energy: 0.012571770701046543
Energy: 0.42406160702874857
Energy: 0.42182669500745906
Energy: 0.012839970331365875
Energy: 0.012791850621510198
Energy: 0.08827100346544801
Energy: 0.4243435585508785
Energy: 0.08817583050785979
Energy: 0.012410563123214181
Energy: 0.013246051608772347
Energy: 0.41797636673675087
Energy: 0.08772109565087916
Energy: 0.4212918180566749
Energy: 0.08947203065620948
Energy: 0.08787910468046271
Energy: 0.41778115938149163
Energy: 0.08796639565096495
Energy: 0.42047301746141585
Energy: 0.08857693096906345
Energy: 0.08814429823394847
Energy: 0.014782059429640578
Energy: 0.012306841839275247
Energy: 0.08948296721912952
Energy: 0.4232408406284573
Energy: 0.08794890081161402
Energy: 0.013621898837728021
Energy: 0.012444168192291789
Energy: 0.08988776767740059
Energy: 0.423812106023258
Energy: 0.08791247999059058
Energy: 0.012266954428329412
Energy: 0.012619857876695189
Energy: 0.420556412786867
Energy: 0.08789427393917057
Energy: 0.08810382515399989
Energy: 0.012747013804985533
Energy: 0.012198999191414137
Energy: 0.41940778316934646
Energy: 0.08802722394303703
Energy: 0.08798078279275538
Energy: 0.0878552464162818
Energy: 0.08992798373535263
Energy: 0.01227573442670947
Energy: 0.01316361249671179
Energy: 0.08823631266344029
Energy: 0.0903622527442197
Energy: 0.08815118736173627
Energy: 0.013314571790787107
Energy: 0.08763979343873658
Energy: 0.08816898763195895
Energy: 0.42636044948412566
Energy: 0.08918406422816097
Energy: 0.013776627296290518
Energy: 0.013827353576253539
Energy: 0.08846873314400547
Energy: 0.4247687902237859
Energy: 0.08833839925955903
Energy: 0.014103787558389253
Energy: 0.014006875853219965
Energy: 0.013050222581307362
Energy: 0.08973292196850809
Energy: 0.42288429606483197
Energy: 0.08771797246133473
Energy: 0.08889788858970368
Energy: 0.012336243552882943
Energy: 0.08837314333584122
Energy: 0.08783278764801136
Energy: 0.08763393355726441
Energy: 0.08836529288538117

minimum gb energy = 0.011765190308404632 eV
minimum distance =  2.81992934285452 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.7204157408373861
Energy: 0.6799713036221816
Energy: 0.7087970923832031
Energy: 0.7347986026966872
Energy: 0.7784890561214494
Energy: 0.7447216843137302
Energy: 0.6709696846579791
Energy: 0.7175645400428905
Energy: 0.7211010438834006
Energy: 0.8011524858332163
Energy: 0.8974634597511306
Energy: 0.7142348202643068
Energy: 0.6620672006397974
Energy: 0.7424085568566211
Energy: 0.7921565292428976
Energy: 0.872933669167352
Energy: 0.7435765209828996
Energy: 0.8040157173219723
Energy: 0.717592473523802
Energy: 0.7428014406706314
Energy: 0.8692052261320704
Energy: 0.8677073796101558
Energy: 0.7543521579436033
Energy: 0.6855294681213184
Energy: 0.7336776193894403
Energy: 0.8639140342008595
Energy: 0.9397368862163464
Energy: 0.7607678175484172
Energy: 0.6821993902940587
Energy: 0.6969791700995375
Energy: 0.801711517295535
Energy: 0.8595564358747635
Energy: 0.7731018965154369
Energy: 0.6812611854069706
Energy: 0.6703744246433673
Energy: 0.7791695557789812
Energy: 0.8584795474321718
Energy: 0.7788328847137002
Energy: 0.6775061937941125
Energy: 0.8229969647171076
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Energy: 0.8925477856903344
Energy: 0.8056931363883544
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Energy: 0.813032708690898
Energy: 0.7818508611098968
Energy: 0.8940237081277458
Energy: 0.8074618951831681
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Energy: 0.7966063368350089
Energy: 0.8975406968409851
Energy: 0.80454607715205
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Energy: 0.7975124195233273
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Energy: 0.8079541420263201
Energy: 0.8533940675375297
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Energy: 0.7502375413978095
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Energy: 0.7750542562401466
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Energy: 0.7624905721314422
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Energy: 0.8575874733397428
Energy: 0.6623979435593504
Energy: 0.7830336207154975
Energy: 0.8937309500150942
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Energy: 0.794205803010843
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Energy: 0.792869217466378
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Energy: 0.8971297989015075
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Energy: 0.6714250587740389
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Energy: 0.8803441765523439
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Energy: 0.7140086911584409
Energy: 0.878834661996657
Energy: 0.7780872347281229
Energy: 0.7212839847746602
Energy: 0.6722649282003671
Energy: 0.6774947842055208
Energy: 0.7228853281404909
Energy: 0.7809387113611381
Energy: 0.7206228507113989
Energy: 0.671143727276864
Energy: 0.7105274243600497
Energy: 0.7943755559039244
Energy: 0.7974408351018565
Energy: 0.890796465958607
Energy: 0.6744998701186394
Energy: 0.6706224029760222
Energy: 0.8341067681979866
Energy: 0.8309917240446535
Energy: 0.8919334379325344
Energy: 0.6788649850419974
Energy: 0.6700974554141472
Energy: 0.7271865223288314
Energy: 0.6794923588776121
Energy: 0.8642082779879735
Energy: 0.8685756821616935
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Energy: 0.6697976640654225
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Energy: 0.6643710614477951
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Energy: 0.8585373470517373
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Energy: 0.8897917252155954
Energy: 0.7221069559030521
Energy: 0.790653859835101
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Energy: 0.8873400017664612
Energy: 0.7262983649977097
Energy: 0.7907103369782648
Energy: 0.6710431648032417
Energy: 0.7880719757610761
Energy: 0.7731829722632274
Energy: 0.9017445174605465
Energy: 0.6721444887075095
Energy: 0.7289746946203849
Energy: 0.7823150895729075
Energy: 0.8312924673634631
Energy: 0.9040595106890547
Energy: 0.6758860434565812
Energy: 0.7448679555288726
Energy: 0.7327108060403564
Energy: 0.6742721221060602
Energy: 0.8537195619555756
Energy: 0.8641177108049057
Energy: 0.7369563769135355
Energy: 0.729651149624959
Energy: 0.6621309412891118
Energy: 0.8525702012462057
Energy: 0.8629492053052614
Energy: 0.9063955564815097
Energy: 0.7166274789363232
Energy: 0.6889259344094513
Energy: 0.7547448691730712
Energy: 0.8649760243552016
Energy: 0.8541051046577517
Energy: 0.6617944817665521
Energy: 0.6859592487510566
Energy: 0.7465533047326897
Energy: 0.8645894017774356
Energy: 0.8112489164716956
Energy: 0.778025416132298
Energy: 0.7294396732083791
Energy: 0.8373396301037892
Energy: 0.7664404724184364
Energy: 0.8288501824390234
Energy: 0.762647431565954
Energy: 0.8192819510026556
Energy: 0.8612344243335812
Energy: 0.8255812364320086
Energy: 0.793026121903143
Energy: 0.6662248918662905
Energy: 0.8898986769979189
Energy: 0.797148569136514
Energy: 0.7979956822754686
Energy: 0.7151862559633246
Energy: 0.8004133795761352
Energy: 0.8826006072212725
Energy: 0.796282864987045
Energy: 0.901548192072737
Energy: 0.7995570308211545
Energy: 0.8664345569111351
Energy: 0.7266180542990133
Energy: 0.7769619314763503
Energy: 0.8637309618421234
Energy: 0.7942312123196636
Energy: 0.8657235975342167
Energy: 0.716910420681539
Energy: 0.7723332796716217
Energy: 0.8718244744996809
Energy: 0.7951311728180182
Energy: 0.7343267880365583
Energy: 0.6773532148171139
Energy: 0.6805458234173666
Energy: 0.8102878296095044
Energy: 0.7780588892886889
Energy: 0.7451152156932069
Energy: 0.6689738521433134
Energy: 0.785971015606363
Energy: 0.8923639571738462

minimum gb energy = 0.653465417140451 eV
minimum distance =  2.48115260997246 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.8209814978840612
Energy: 0.799458794805036
Energy: 0.7480624991658489
Energy: 0.8205379802719516
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Energy: 0.8110954840800166
Energy: 0.7045759510172762
Energy: 0.7947504611172289
Energy: 0.7931825397896316
Energy: 0.8104355150006869
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Energy: 0.8191637082507126
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Energy: 0.6833797493335302
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Energy: 0.8699131894824708
Energy: 0.7287763676023378
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Energy: 0.792256785222878
Energy: 0.8219813975814206
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minimum gb energy = 0.6826736365718868 eV
minimum distance =  2.45664043317492 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.7541745515502998
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Energy: 0.7913991931203254
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Energy: 0.7530468025606994
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Energy: 0.7189192976013679
Energy: 0.7506311776313679
Energy: 0.7071368470739637
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Energy: 0.9075890150826109
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Energy: 0.8354470763036012
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Energy: 0.7576951285013904
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Energy: 0.7141986946716975
Energy: 0.7729248794348229
Energy: 0.9056754368904033
Energy: 0.7131359199292974
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Energy: 0.7069225687266747
Energy: 0.6837645509891567
Energy: 0.9060117989683326
Energy: 0.7013743104898212
Energy: 0.7216740739104908
Energy: 0.7068770908296393
Energy: 0.6834889478657277
Energy: 0.7332573637557428
Energy: 0.7689628003110106
Energy: 0.7716937897140087
Energy: 0.70473899766171
Energy: 0.7590241080533736
Energy: 0.7346399459810257
Energy: 0.7719131800842443
Energy: 0.7745057735387478
Energy: 0.7048050824168743
Energy: 0.752994768525435
Energy: 0.7127006489500979
Energy: 0.7614517048652963
Energy: 0.7062239721136777
Energy: 0.7727586428229849
Energy: 0.9049894633058424
Energy: 0.7087653806818706
Energy: 0.7106530269514236
Energy: 0.7072443687718102
Energy: 0.7720440759697514
Energy: 0.9198104387418012
Energy: 0.7635808890882108
Energy: 0.7131251096748655
Energy: 0.7019000654408294
Energy: 0.7099450417259908
Energy: 0.9178780534297748
Energy: 0.7586244815004578
Energy: 0.7121884293031534
Energy: 0.6941589097752072
Energy: 0.7124498072004339
Energy: 0.9039221695964769
Energy: 0.7673602319712056
Energy: 0.6929405055404175
Energy: 0.709921530708253
Energy: 0.7434666338735153
Energy: 0.7376055494748399
Energy: 0.7547350105161621
Energy: 0.692622721354274
Energy: 0.7149834335466939
Energy: 0.7372132659393811
Energy: 0.7560578275334484
Energy: 0.7195049729258632
Energy: 0.856123813169056
Energy: 0.8355472502234741
Energy: 0.7449577272207597
Energy: 0.7507112146595759
Energy: 0.8502617808115481
Energy: 0.833418749073898
Energy: 0.7226820548804078
Energy: 0.7453423613560035
Energy: 0.7566132732350671
Energy: 0.722367096591481
Energy: 0.7986046314167229
Energy: 0.6882046765070731
Energy: 0.7853730931527654
Energy: 0.7772575474349668
Energy: 0.7110314725512932
Energy: 0.7928839021567248
Energy: 0.6775886853725211
Energy: 0.8046681698851704
Energy: 0.773178361728925
Energy: 0.9288195743180755
Energy: 0.6913497768529994
Energy: 0.6881549286438658
Energy: 0.6871518332360445
Energy: 0.798930045052892
Energy: 0.8473285075208513
Energy: 0.6866733502131265
Energy: 0.6790403358589048
Energy: 0.6771616904925788
Energy: 0.7702974683853854

minimum gb energy = 0.6771616904925788 eV
minimum distance =  2.44795786782877 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.6848786507199467
Energy: 0.6447226793959221
Energy: 0.6661890532187741
Energy: 0.6435011928241942
Energy: 0.6421669954047093
Energy: 0.6856553410921137
Energy: 0.6546728518472784
Energy: 0.7058251965798084
Energy: 0.6503802104811713
Energy: 0.6426573670595792
Energy: 0.8367135654174531
Energy: 0.711064378952838
Energy: 0.6655547173723344
Energy: 0.6598226752335082
Energy: 0.7313525504252965
Energy: 0.7831387048748898
Energy: 0.7103216658398693
Energy: 0.6655849516256326
Energy: 0.6603205189099819
Energy: 0.7316474348434548
Energy: 0.6580989930367597
Energy: 0.7065845623574277
Energy: 0.6543970577103738
Energy: 0.7020010332356015
Energy: 0.7630148659946986
Energy: 0.6658435537798374
Energy: 0.8485384881084367
Energy: 0.7065166750471342
Energy: 0.7058926160867108
Energy: 0.7626268494153964
Energy: 0.693642922717641
Energy: 0.6571471854783216
Energy: 0.7113265704020162
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Energy: 0.6577136316541359
Energy: 0.6928824769481052
Energy: 0.7290794574161826
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Energy: 0.6496402377240534
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Energy: 0.8231319627009202
Energy: 0.6532994688275051
Energy: 0.6491372565715148
Energy: 0.6488461650734674
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Energy: 0.8365348672960555
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Energy: 0.6214068031808998
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Energy: 0.8995363616325859
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Energy: 0.6659570565763279
Energy: 0.6654547240050909
Energy: 0.7131624957110942
Energy: 0.8795898066658661
Energy: 0.7145881877792979
Energy: 0.646620330229382
Energy: 0.6492329529932533
Energy: 0.6524737059682192
Energy: 0.8578967039202164
Energy: 0.7163856053378314
Energy: 0.646564288481097
Energy: 0.6497211558072847
Energy: 0.6432180372967768
Energy: 0.7426283946957097
Energy: 0.718466720332724
Energy: 0.7421373468975604
Energy: 0.7011543636710618
Energy: 0.7083833266240733
Energy: 0.6671837911053415
Energy: 0.8070354730342439
Energy: 0.6595378499811294
Energy: 0.7010322392171331
Energy: 0.6620255046136667
Energy: 0.6929997975554668
Energy: 0.6579370353060846
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Energy: 0.790939316963315
Energy: 0.6923180261692836
Energy: 0.7460989201358958
Energy: 0.7007250090562765
Energy: 0.7088616630954017
Energy: 0.7460504728697056
Energy: 0.6921051151083786
Energy: 0.7187453032028064
Energy: 0.7122575491139616
Energy: 0.687535122243633
Energy: 0.6618441197144861
Energy: 0.7636857098667944
Energy: 0.7193977288240919
Energy: 0.7113808190947288
Energy: 0.6872317983597035
Energy: 0.6620202409934463
Energy: 0.7640922815248865
Energy: 0.6606724635156521
Energy: 0.8348322869050161
Energy: 0.6552632612672555
Energy: 0.6443262160702934
Energy: 0.65175666891555
Energy: 0.6603376014992446
Energy: 0.802125437952874
Energy: 0.6534160112922461
Energy: 0.6436650009090148
Energy: 0.6526008540742166
Energy: 0.6548895694953171
Energy: 0.7951591844090049
Energy: 0.7139514887418168
Energy: 0.6235818727345336
Energy: 0.6801593862053412
Energy: 0.6554691505008624
Energy: 0.7741450558135299
Energy: 0.7686254047776152
Energy: 0.623436911898902
Energy: 0.7315567928025091
Energy: 0.8364616079290221
Energy: 0.7109083742363866
Energy: 0.6649691375131811
Energy: 0.6793747818172156
Energy: 0.7157729270223762
Energy: 0.8976333204547349
Energy: 0.7044116655947495
Energy: 0.6647949935533907
Energy: 0.672736672665635
Energy: 0.7041005391397888

minimum gb energy = 0.6214068031808998 eV
minimum distance =  2.57869382235205 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.9097066940096277
Energy: 0.5449596521726047
Energy: 0.587679468319002
Energy: 0.5505705063874572
Energy: 0.549902539703937
Energy: 0.6234079269775904
Energy: 0.5546656138782177
Energy: 0.5658361450608712
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Energy: 0.768300087732359
Energy: 0.6288071653662051
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Energy: 0.5508041405056965
Energy: 0.5830313360261333
Energy: 0.706076197166888
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Energy: 0.6066523944403998
Energy: 0.5758053768457957
Energy: 0.6462195122812907
Energy: 0.6321141884101341
Energy: 0.647329850411055
Energy: 0.7934568599490756
Energy: 0.5839750248047735
Energy: 0.6155571433330117
Energy: 0.6169919796354377
Energy: 0.6554590202444579
Energy: 0.771675633207099
Energy: 0.825721506976564
Energy: 0.6711530325126271
Energy: 0.5977933079173547
Energy: 0.582014368539741
Energy: 0.7832040142805865
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Energy: 0.6065348578477542
Energy: 0.5699812719345673
Energy: 0.5774095206863932
Energy: 0.7836143411179672
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Energy: 0.5762492158310332
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Energy: 0.5983411827817873
Energy: 0.7277402176923055
Energy: 0.6526958081994165
Energy: 0.5718926334087044
Energy: 0.5804487274056864
Energy: 0.599050313494291
Energy: 0.7189655353802453
Energy: 0.637475719497138
Energy: 0.7047304667188107
Energy: 0.728144967860023
Energy: 0.6651040184849059
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Energy: 0.5970204503241383
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Energy: 0.5948384235174802
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Energy: 0.557208243827703
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Energy: 0.5611116060762741
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Energy: 0.6812951425414975
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Energy: 0.832398732451225
Energy: 0.6877345152174622
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Energy: 0.5994952709520568
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Energy: 0.8403729074116826
Energy: 0.5959447975571748
Energy: 0.5772438226302047
Energy: 0.6300683498168612
Energy: 0.7302732261744216
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Energy: 0.6908993341542163
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Energy: 0.5611154766504008
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Energy: 0.8467267726513736
Energy: 0.6743305386086917
Energy: 0.7046495875841576
Energy: 0.5857285872599509
Energy: 0.5812570665455751
Energy: 0.7378063634046014
Energy: 0.626497384516621
Energy: 0.6293612356684388
Energy: 0.5710637995004246
Energy: 0.5706526350939006
Energy: 0.8180380713837971
Energy: 0.6201399147319905
Energy: 0.6982013990712452
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Energy: 0.6621728170529309
Energy: 0.5624089196460133
Energy: 0.6145734414318116
Energy: 0.6987919076213591
Energy: 0.6164996437580803
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Energy: 0.5623925121440375
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Energy: 0.6132931355780634
Energy: 0.5745538458287988
Energy: 0.56925189281471
Energy: 0.7038267083514016
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Energy: 0.7670134178015264
Energy: 0.7062003257982178
Energy: 0.6870376733877952
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Energy: 0.6394707389152053
Energy: 0.6969762828870082
Energy: 0.5862133074257433
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Energy: 0.69692785046339
Energy: 0.6195468310054073
Energy: 0.580361964001523
Energy: 0.6677085771943564
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Energy: 0.6245307881072435
Energy: 0.5803385469194173
Energy: 0.6707304042367129
Energy: 0.6185926454952176
Energy: 0.6958257332997632
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Energy: 0.589992867891527
Energy: 0.7215103452617189
Energy: 0.6608775892139174
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Energy: 0.5854464461657208
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Energy: 0.667065397713896
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Energy: 0.611768942522458
Energy: 0.6221853689203289
Energy: 0.591765823517474
Energy: 0.6509439246977251
Energy: 0.5817828728471437
Energy: 0.6114734335950791
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Energy: 0.558181719168973
Energy: 0.5668523441485037
Energy: 0.5624942312484223
Energy: 0.5571200985152903
Energy: 0.6864108777831724
Energy: 0.5581699860394947
Energy: 0.5708883119398585
Energy: 0.5513015844988951
Energy: 0.5605194276039616
Energy: 0.5583578634602786
Energy: 0.8194671369097223
Energy: 0.5662042986848167
Energy: 0.6166162182266289
Energy: 0.5700846077887352
Energy: 0.5580190702795221
Energy: 0.830929676109297
Energy: 0.5573442662524132
Energy: 0.5738450620239296
Energy: 0.5648947792296011
Energy: 0.5700585922702663
Energy: 0.6840211022189515
Energy: 0.6095878749607005
Energy: 0.5924327369509441
Energy: 0.5581065049410725
Energy: 0.6009820898196778
Energy: 0.6147994302865812
Energy: 0.6067406574973566
Energy: 0.5827000108038023
Energy: 0.5792298278292352
Energy: 0.5821698869019785
Energy: 0.5736433685808228
Energy: 0.5878971271595159
Energy: 0.5899244872764959
Energy: 0.6000028179001703
Energy: 0.6540511539305205
Energy: 0.5533666877971639
Energy: 0.5666988829198598
Energy: 0.572072755009306
Energy: 0.644003685127627

minimum gb energy = 0.5449596521726047 eV
minimum distance =  2.54305365767695 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.37138861363944253
Energy: 0.6056560268044365
Energy: 0.4733595904256453
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Energy: 0.2622501165768724
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Energy: 0.3991740280122591
Energy: 0.4120617133259698
Energy: 0.31150325289061176
Energy: 0.22392290666861706
Energy: 0.42270917378860606
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Energy: 0.44216905662123496
Energy: 0.26058730684725256
Energy: 0.37615923194687395
Energy: 0.3849514764174987
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Energy: 0.5109841809363526
Energy: 0.2635932085909262
Energy: 0.41604115272479686
Energy: 0.4439046645223124
Energy: 0.39521567275418684
Energy: 0.3534741363539745
Energy: 0.2825585213840092
Energy: 0.3632044246419804
Energy: 0.9733105475314389
Energy: 0.4309690614199976
Energy: 0.26300522496935513
Energy: 0.2630328896535986
Energy: 0.40202361969712536
Energy: 0.9509431154226864
Energy: 0.48866387179954857
Energy: 0.2823549842844028
Energy: 0.2825232181318855
Energy: 0.37034772226369306
Energy: 0.9902197526876931
Energy: 0.5324508676323644
Energy: 0.41539601265695975
Energy: 0.3404097520167481
Energy: 0.5698135666283028
Energy: 0.6094338704855935
Energy: 0.46392938656225763
Energy: 0.3437986086148102
Energy: 0.31446836022142516
Energy: 0.5243439266077955
Energy: 0.6243441718988644
Energy: 0.45674710940400676
Energy: 0.39378754654641707
Energy: 0.5774618885048868
Energy: 0.5111751442030461
Energy: 0.36381656754770103
Energy: 0.31139808199262187
Energy: 0.23953438552717496
Energy: 0.4515865144511238
Energy: 0.49835450962145283
Energy: 0.642888908255777
Energy: 0.38387120756224286

minimum gb energy = 0.20204484226647212 eV
minimum distance =  2.63865429597304 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.764385729824188
Energy: 0.5557699975888144
Energy: 0.5251417383197008
Energy: 0.5069741633055835
Energy: 0.5892228063779159
Energy: 0.735231808578141
Energy: 0.5665849371977101
Energy: 0.5436500891243364
Energy: 0.49814227224513846
Energy: 0.7063207606379481
Energy: 0.501012226430482
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Energy: 0.5709327760689233
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Energy: 0.5218128235456956
Energy: 0.5625663260286585
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Energy: 0.62727527365656
Energy: 0.5119073276038326
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Energy: 0.5987315097672637
Energy: 0.7993835562096072
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Energy: 0.5320116976157776
Energy: 0.5343192947517053
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Energy: 0.5581670702105473
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Energy: 0.5679560827920769
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Energy: 0.546268906883897
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Energy: 0.7118795030418021
Energy: 0.513027067552788
Energy: 0.5394110684363841
Energy: 0.5680065084706358
Energy: 0.7028984186637827
Energy: 0.6565716955756022
Energy: 0.5116900128271225
Energy: 0.5747071649928781
Energy: 0.5773166934534957
Energy: 0.7902358423712212
Energy: 0.5181001363366882
Energy: 0.5466904133153375
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Energy: 0.5319995716138759
Energy: 0.6583640425237283

minimum gb energy = 0.4856869681483251 eV
minimum distance =  2.48317667928936 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.6533955952215971
Energy: 0.6751323465358139
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Energy: 0.6497083758383384
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Energy: 0.7249453438490188
Energy: 0.6501193799224438
Energy: 0.6922199351501332
Energy: 0.7045889865426871
Energy: 0.6543059394346127

minimum gb energy = 0.5794841343939179 eV
minimum distance =  2.53462301971883 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.918254081614025
Energy: 0.6944445924752062
Energy: 0.818758895292948
Energy: 0.6796444490437125
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Energy: 0.8387416628101079
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Energy: 0.8150401514639413
Energy: 0.8671542483661128
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minimum gb energy = 0.6588952331056032 eV
minimum distance =  2.56405521518859 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.8722938586809237
Energy: 0.8175360062273467
Energy: 0.6551590976528225
Energy: 0.6545743582923488
Energy: 0.8087688073601275
Energy: 0.7541759547557395
Energy: 0.8176807629928494
Energy: 0.8590747500835997
Energy: 0.7192153250996487
Energy: 0.768141896742024
Energy: 0.8213700648290512
Energy: 0.8054503970045862
Energy: 0.8707071637617578
Energy: 0.721376809566465
Energy: 0.7219908775384437
Energy: 0.8232360103831141
Energy: 0.8179075851497272
Energy: 0.8249426387484302
Energy: 0.8974285469608679
Energy: 0.7615758022648336
Energy: 0.7618551519489687
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Energy: 0.760117791483995
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Energy: 0.8344555942599946
Energy: 0.8430605044454949
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Energy: 0.7672321881878752
Energy: 0.6930559888856596
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Energy: 0.842504609796549
Energy: 0.7803073234692974
Energy: 0.7676148506038142
Energy: 0.692578533348383
Energy: 0.8897728469476476
Energy: 0.8347459967391355
Energy: 0.7667599367763749
Energy: 0.7637409637793013
Energy: 0.6929360680315588
Energy: 0.7217262387156964
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Energy: 0.7467627949755937
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Energy: 0.6954168321750587
Energy: 0.7562820091375694
Energy: 0.762187932650045
Energy: 0.8202644119698946
Energy: 0.6919847485916482
Energy: 0.6885739522908161
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Energy: 0.7631611621952512
Energy: 0.8766481451461097
Energy: 0.6914866800573795
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Energy: 0.7567262034920959
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Energy: 0.8650615391886561
Energy: 0.6917905448309944
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Energy: 0.7611774852759305
Energy: 0.8668812723906564
Energy: 0.8652424674812295
Energy: 0.6919422283718075
Energy: 0.7671287670806819
Energy: 0.7611865365637318
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Energy: 0.8630000566854377
Energy: 0.8474386070318898
Energy: 0.6546096998649149
Energy: 0.6536256225351321
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Energy: 0.7212844224163744
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Energy: 0.7615448383092245
Energy: 0.6924449990135443
Energy: 0.8841344337372689
Energy: 0.8865325349213186
Energy: 0.8233278907955983
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Energy: 0.7584363733640145
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Energy: 0.6918306899013464
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Energy: 0.8321118664835019
Energy: 0.9042171839607437
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Energy: 0.6879385534614624
Energy: 0.6926214110609347
Energy: 0.7942501200383397
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Energy: 0.7566966767591587
Energy: 0.7624242679534416
Energy: 0.7826310854863395
Energy: 0.7494964149721043
Energy: 0.8095647431778044
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Energy: 0.7759493195687599
Energy: 0.7561691199720385
Energy: 0.8055289725987874
Energy: 0.7586027690694989
Energy: 0.771674934248055
Energy: 0.8433617819954843
Energy: 0.8721237756288642
Energy: 0.7585132616776217
Energy: 0.8440095879100536
Energy: 0.852079840375484
Energy: 0.8873946134542166
Energy: 0.8727191909980622
Energy: 0.759105984509009
Energy: 0.8684020987640046
Energy: 0.8397715319407253
Energy: 0.8361374237101689
Energy: 0.7038372216788216
Energy: 0.7621525090149086
Energy: 0.9227556092033233
Energy: 0.8405716364449438
Energy: 0.7478488775472151
Energy: 0.7616188206851038
Energy: 0.7583483557455821
Energy: 0.9144220015506181
Energy: 0.8406495759633006
Energy: 0.6911388770341127
Energy: 0.6880517403477673
Energy: 0.7649050659554583
Energy: 0.8040679424118317
Energy: 0.838350017125302
Energy: 0.6906853806947111
Energy: 0.6878248646581845
Energy: 0.7654941139489563
Energy: 0.8654734547618647
Energy: 0.7956631684271145
Energy: 0.6926451003644236
Energy: 0.7664875055680479
Energy: 0.6917452384878272
Energy: 0.8653437904819924
Energy: 0.8665484583538705
Energy: 0.6876716695523897
Energy: 0.7661398477550011
Energy: 0.691850219079696
Energy: 0.8657371515557416
Energy: 0.8662637837306475
Energy: 0.8254866261682559
Energy: 0.6533456864185536
Energy: 0.8088975911237883
Energy: 0.8269544913928022
Energy: 0.8184271026222604
Energy: 0.7319854586590018
Energy: 0.6546379461591141
Energy: 0.8087868493228907
Energy: 0.8209464889672266
Energy: 0.819020822060433
Energy: 0.8589563023070741
Energy: 0.720822128948559
Energy: 0.7950966993045449
Energy: 0.8198154742800332
Energy: 0.8340748274730277
Energy: 0.8710529097347671
Energy: 0.7213921878881417
Energy: 0.7959956778613763
Energy: 0.8223477786792439
Energy: 0.8194505805798069
Energy: 0.8462372050200077
Energy: 0.9298771487832695
Energy: 0.7606787441133048
Energy: 0.7956943331742203
Energy: 0.8343827360953324
Energy: 0.8360714562342728
Energy: 0.9252615004609261
Energy: 0.7592807475500016
Energy: 0.7962152909579642
Energy: 0.7575749668416223

minimum gb energy = 0.6531710244252638 eV
minimum distance =  2.46523318712122 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5307829807788721
Energy: 0.5342970146617348
Energy: 0.6323220063838096
Energy: 0.7326835561177658
Energy: 0.5339305842464235
Energy: 0.5314518428019731
Energy: 0.7716880391501586
Energy: 0.632071653842337
Energy: 0.7328340954249721
Energy: 0.5338646850551579
Energy: 0.5326101246710224
Energy: 0.7328752248930303
Energy: 0.7346877097507448
Energy: 0.9092973750973893
Energy: 0.7698485310441233
Energy: 0.772981630081312
Energy: 0.7325939691600521
Energy: 0.7209582369153876
Energy: 0.8969363910856637
Energy: 0.7743074689941836
Energy: 0.902272135369036
Energy: 0.7335986004629185
Energy: 0.7325066454812424
Energy: 0.6320574264332522
Energy: 0.7762045182381879
Energy: 0.9010173991975992
Energy: 0.7338895680189805
Energy: 0.7333266839801571
Energy: 0.632337754121147
Energy: 0.775293448070038
Energy: 0.6337855893981703
Energy: 0.5323911828967941
Energy: 0.5349935941989187
Energy: 0.9002659028168157
Energy: 0.7544292425802918
Energy: 0.6339547542513546
Energy: 0.5316889745402071
Energy: 0.5346344600413083
Energy: 0.9014993973590987
Energy: 0.5376828484250304
Energy: 0.8979378220915508
Energy: 0.5324248098923922
Energy: 0.5326139643583553
Energy: 0.6915122167736766
Energy: 0.5648917581130892
Energy: 0.8976886931173154
Energy: 0.5323246868300583
Energy: 0.532321149939932
Energy: 0.6681380658970751
Energy: 0.564363139685287
Energy: 0.7330253548313773
Energy: 0.6326484914108294
Energy: 0.7703437383023513
Energy: 0.7335968066847717
Energy: 0.7207957543388093
Energy: 0.7342203526604928
Energy: 0.6320439982231868
Energy: 0.56609575261129
Energy: 0.7327218357587832
Energy: 0.7207857764490496
Energy: 0.7716541312662093
Energy: 0.5381978622790138
Energy: 0.7711378158504386
Energy: 0.733539696287877
Energy: 0.5859468067908608
Energy: 0.9022256200681728
Energy: 0.5372631768671589
Energy: 0.7720584743252888
Energy: 0.7332378807293986
Energy: 0.5633812175334164
Energy: 0.7734359884637442
Energy: 0.7545790558355316
Energy: 0.5639215384346709
Energy: 0.5348890911306556
Energy: 0.5322218468968827
Energy: 0.7717664089460207
Energy: 0.8356298496358773
Energy: 0.5643016621949215
Energy: 0.5344690125741143
Energy: 0.7202995957244434
Energy: 0.7328249560758523
Energy: 0.7208661061442724
Energy: 0.908853604919777
Energy: 0.531807796364674
Energy: 0.8487137123671568
Energy: 0.5646519252044966
Energy: 0.9074180416928819
Energy: 0.9089512970181848
Energy: 0.5320376279496085
Energy: 0.8483659841895801
Energy: 0.7332024338441734
Energy: 0.564046925458775
Energy: 0.7343884666171299
Energy: 0.7717348930550362
Energy: 0.7346028365938925
Energy: 0.7338815963429492
Energy: 0.5646820348080408
Energy: 0.7345284637352351
Energy: 0.7718044492379335
Energy: 0.7334077760664054
Energy: 0.531858030614222
Energy: 0.7730029521026174
Energy: 0.9041365696640606
Energy: 0.903744983441074
Energy: 0.5643665997860632
Energy: 0.5316860717762484
Energy: 0.5657254057748663
Energy: 0.6991340030463223
Energy: 0.9028188507746315
Energy: 0.8626369304953297
Energy: 0.5308614239572185
Energy: 0.7727334755319389
Energy: 0.6320660075378894
Energy: 0.7330843961104533
Energy: 0.5339886931597012
Energy: 0.5314575345277679
Energy: 0.7729521299520538
Energy: 0.6318086172364442
Energy: 0.7334363097005173
Energy: 0.5337062615197841
Energy: 0.7744455069191393
Energy: 0.7327364536531237
Energy: 0.7344274420167871
Energy: 0.9086211000532446
Energy: 0.7701192424923231
Energy: 0.7729032489766287
Energy: 0.7324852578160043
Energy: 0.7206702149090394
Energy: 0.8975417619782822
Energy: 0.7501436372610188
Energy: 0.9023467727711381
Energy: 0.7325515096744852
Energy: 0.732989606324158
Energy: 0.6319935410454911
Energy: 0.7766134351326122
Energy: 0.9021689529051797
Energy: 0.7326199308734094
Energy: 0.7327409261755495
Energy: 0.6323374603711374
Energy: 0.6325548088169909
Energy: 0.6326529381774237
Energy: 0.5319070796903105
Energy: 0.5345868813730125
Energy: 0.9001719017984289
Energy: 0.753220353504271
Energy: 0.6330513514168725
Energy: 0.5317022141850263
Energy: 0.5343985842176248
Energy: 0.9013611525032653
Energy: 0.7756465642817031
Energy: 0.89752004568507
Energy: 0.5329180822138414
Energy: 0.5323170265389375
Energy: 0.6920035968165373
Energy: 0.5652946705929174
Energy: 0.8969969882314548
Energy: 0.5327599971742825
Energy: 0.5322624905119628
Energy: 0.5634609098988385
Energy: 0.5642622027268811
Energy: 0.7335223722170473
Energy: 0.6325413597746083
Energy: 0.7703108702890676
Energy: 0.7333538310888578
Energy: 0.720958393643979
Energy: 0.7360929584880626
Energy: 0.6322120930333776
Energy: 0.7715366067705182
Energy: 0.7315982437633005
Energy: 0.7210063441368911
Energy: 0.9019262711334806
Energy: 0.5380312347881133
Energy: 0.5644947281190361
Energy: 0.7336045502203662
Energy: 0.6684731402603881
Energy: 0.9023168111651909
Energy: 0.5371920874797557
Energy: 0.7716121742665704
Energy: 0.7335093097825909
Energy: 0.563853848725177
Energy: 0.7731246159216366
Energy: 0.8480528263934468
Energy: 0.5628344688414249
Energy: 0.5344435446730899
Energy: 0.5329178749101101
Energy: 0.7718262785762076
Energy: 0.7338093201557759
Energy: 0.5623697674918228
Energy: 0.5348060383865395
Energy: 0.7204308942833019
Energy: 0.7329895272889084
Energy: 0.8780214059328725
Energy: 0.9080766550140652
Energy: 0.5355653654678412
Energy: 0.8485634707585525
Energy: 0.7323329816728293
Energy: 0.9069445207258907
Energy: 0.908740517341474
Energy: 0.5318297405007879
Energy: 0.8482607475523337
Energy: 0.7337586030996793
Energy: 0.5637980440631059
Energy: 0.7336573476670054
Energy: 0.771808564993947
Energy: 0.564141877240391
Energy: 0.73443625805365
Energy: 0.5634640563848792
Energy: 0.8364394501347204
Energy: 0.7722767716924107
Energy: 0.7335243598831063
Energy: 0.5325118807196559
Energy: 0.7702782016019084
Energy: 0.9036063784792195
Energy: 0.9037387898734258
Energy: 0.5643165358487013
Energy: 0.5326840271790391
Energy: 0.5651373038547047
Energy: 0.6991963470680871
Energy: 0.9029601043453571
Energy: 0.859532297123844

minimum gb energy = 0.5307829807788721 eV
minimum distance =  2.55944152599782 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.8599394098241958
Energy: 0.8814371119350933
Energy: 0.855320683451266
Energy: 0.7764476545132979
Energy: 0.88630547702624
Energy: 0.8545635482072954
Energy: 0.9177756687409445
Energy: 0.8589356761020392
Energy: 0.7981008386576264
Energy: 0.847117017998458
Energy: 0.7213357765074713
Energy: 0.8416897631761416
Energy: 0.6822900795653789
Energy: 0.6580214169816719
Energy: 0.8562644578717625
Energy: 0.7497200756306114
Energy: 0.8427273048227025
Energy: 0.6811308543084461
Energy: 0.7251482142540876
Energy: 0.8559880721860698
Energy: 0.7812805489344643
Energy: 0.9010618999573766
Energy: 0.7268647073119214
Energy: 0.7582078424232984
Energy: 0.7053688405152179
Energy: 0.7814145277027109
Energy: 0.833312333649043
Energy: 0.7585488330884695
Energy: 0.758371844282561
Energy: 0.7022941193072192
Energy: 0.7197330248524593
Energy: 0.7504903139471861
Energy: 0.8832853097777105
Energy: 0.8077036753509402
Energy: 0.7026413369988206
Energy: 0.7415739997375936
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Energy: 0.8833644290858764
Energy: 0.8052194737826656
Energy: 0.7054502326844072
Energy: 0.8443634110231908
Energy: 0.8924497106947245
Energy: 0.7993916924089075
Energy: 0.7637407160486159
Energy: 0.8189479031368389
Energy: 0.8489674350609568
Energy: 0.8903980304417312
Energy: 0.8905010673788492
Energy: 0.7630965899163399
Energy: 0.8214923587879941
Energy: 0.743491214788583
Energy: 0.6633902502611811
Energy: 0.7522247804311002
Energy: 0.8656823257099927
Energy: 0.733836996269778
Energy: 0.8373875111904422
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Energy: 0.7520789972644395
Energy: 0.8080571390847127
Energy: 0.734639731216051
Energy: 0.6664069947991116
Energy: 0.6612534062620351
Energy: 0.7512719991433182
Energy: 0.9304908522758428
Energy: 0.8564564493184244
Energy: 0.6660398242752852
Energy: 0.6625524103206132
Energy: 0.7287837810501364
Energy: 0.9471426411683707
Energy: 0.9046007326307275
Energy: 0.8689292823015007
Energy: 0.693304788560834
Energy: 0.7696069748057031
Energy: 0.8012675281138943
Energy: 0.8261520846589915
Energy: 0.7712499513391038
Energy: 0.6908497585697437
Energy: 0.7423458961121413
Energy: 0.8010736178430912
Energy: 0.8596765649585534
Energy: 0.7537358510397908
Energy: 0.7232942432851311
Energy: 0.8835346918072838
Energy: 0.8417085856659758
Energy: 0.6750706854817452
Energy: 0.7554566184953647
Energy: 0.7235483843297418
Energy: 0.8838661395746709
Energy: 0.8417217717611222
Energy: 0.7136759749782405
Energy: 0.8916272688549163
Energy: 0.6573487838628546
Energy: 0.676555716547463
Energy: 0.6760028198519902
Energy: 0.7702456561958281
Energy: 0.8681609202966274
Energy: 0.6571807273359931
Energy: 0.6758966597960103
Energy: 0.7062416016288223
Energy: 0.7706091656465636
Energy: 0.7503741672991248
Energy: 0.9074897185817368
Energy: 0.7522031470716395
Energy: 0.6641365203717967
Energy: 0.7070546969253637
Energy: 0.8529018061905924
Energy: 0.9009677986000146
Energy: 0.7523822458236598
Energy: 0.6643097094482682
Energy: 0.6803956677642216
Energy: 0.6901967198472635
Energy: 0.9067286751445902
Energy: 0.8204818809139725
Energy: 0.9113354900721612
Energy: 0.8374417770375936
Energy: 0.6903336622163779
Energy: 0.8901861490772865
Energy: 0.7528214632578848
Energy: 0.8552717867704069
Energy: 0.8232773221230143
Energy: 0.791624888781642
Energy: 0.8357136787912123
Energy: 0.8481990742511023
Energy: 0.8464549788955144
Energy: 0.8718946160843485
Energy: 0.7244313928079563
Energy: 0.8830818191008845
Energy: 0.8556512563738359
Energy: 0.8459411315304072
Energy: 0.8729598923022331
Energy: 0.658767136117304
Energy: 0.7242868013096528
Energy: 0.9182554078552609
Energy: 0.8937949549303078
Energy: 0.7407539008055666
Energy: 0.6588626811698641
Energy: 0.7249809696651969
Energy: 0.6608859017354917
Energy: 0.8385778612033475
Energy: 0.7406539357941971
Energy: 0.7482448163030578
Energy: 0.7643727756165148
Energy: 0.7253111892240168
Energy: 0.8404342140720301
Energy: 0.7811281864858071
Energy: 0.7484802027588147
Energy: 0.7185199006651641
Energy: 0.7250269922316458
Energy: 0.8901531948759073
Energy: 0.7820700934293249
Energy: 0.8008644261570487
Energy: 0.736873482641193
Energy: 0.7215275298617319
Energy: 0.785949505115319
Energy: 0.7380965664578104
Energy: 0.80838401572822
Energy: 0.7253867906075484
Energy: 0.7183021989594175
Energy: 0.7848377070130713
Energy: 0.7889877468421884
Energy: 0.8879185588326434
Energy: 0.7496244844802539
Energy: 0.8406476644951845
Energy: 0.9140834893692369
Energy: 0.7888782150062279
Energy: 0.8858098242751995
Energy: 0.7094857258408802
Energy: 0.8432091180090302
Energy: 0.9199927223958605
Energy: 0.7895110655377536
Energy: 0.868059367632024
Energy: 0.7813978295265498
Energy: 0.7438258095356611
Energy: 0.8568029386396314
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Energy: 0.8090864136278703
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Energy: 0.7317745303834879
Energy: 0.6667077913355317
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Energy: 0.9264118297456033
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Energy: 0.7379023452696291
Energy: 0.7416564164150306
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Energy: 0.7706364594468763
Energy: 0.8762523039957393
Energy: 0.7390294738258023
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Energy: 0.7066217776228679
Energy: 0.7707704582449778
Energy: 0.8355208278953041
Energy: 0.9057788895272961
Energy: 0.752272043955122
Energy: 0.6632194633814279
Energy: 0.6910167596040744
Energy: 0.8549367551512291
Energy: 0.9327623678907893
Energy: 0.7526078104583415
Energy: 0.6621338693416655
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Energy: 0.68952214183802
Energy: 0.9051336822967846
Energy: 0.7517991080816541
Energy: 0.6639183039015675
Energy: 0.8376758513111513
Energy: 0.6911141198504611
Energy: 0.8894076644082494
Energy: 0.7527568654167802
Energy: 0.6645754891213931
Energy: 0.824339961799264
Energy: 0.6595793608352035
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Energy: 0.8474858908689189
Energy: 0.8714704441542446
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Energy: 0.8469770715445958
Energy: 0.8712449758775888
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Energy: 0.7995233915483368
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Energy: 0.7572514097502208
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Energy: 0.6586774669242599
Energy: 0.7999386142980234
Energy: 0.8547698065308313
Energy: 0.7572233207459663
Energy: 0.7417106907095367
Energy: 0.7460990202502411
Energy: 0.7595769422897292
Energy: 0.7270181093989176
Energy: 0.8909652448704599
Energy: 0.7815706170688187
Energy: 0.7159938974334925
Energy: 0.7595596102162001
Energy: 0.7269327573592588
Energy: 0.8326419303539088
Energy: 0.7813515339761865
Energy: 0.8583237272240285
Energy: 0.736957983180252
Energy: 0.7180667575309329
Energy: 0.7839144470427076
Energy: 0.7438228837983005
Energy: 0.8266762503044228
Energy: 0.7257926460835225
Energy: 0.7207014126740441
Energy: 0.7841065975633004
Energy: 0.7439023792925169
Energy: 0.8922612705215187
Energy: 0.7381948907478091
Energy: 0.8797889726406671
Energy: 0.921990488994365
Energy: 0.7878927279398629
Energy: 0.8861494977507454
Energy: 0.738115013841385
Energy: 0.8418622518060148
Energy: 0.9136736619233798
Energy: 0.7891619042879453
Energy: 0.8706976838383098
Energy: 0.7862717135504699
Energy: 0.7464317237218424
Energy: 0.8565960266003398
Energy: 0.7501291209827388
Energy: 0.8710440664004764
Energy: 0.7824882266805167
Energy: 0.7472630206339553
Energy: 0.8560838163307972
Energy: 0.7498190681785326
Energy: 0.7326728803846814
Energy: 0.8352492888267996
Energy: 0.8142347237908378
Energy: 0.6644961133738173
Energy: 0.7522763465948534
Energy: 0.8156786165924901
Energy: 0.8442669963474191
Energy: 0.6922295080162877
Energy: 0.6652745103542597
Energy: 0.7524710204639041
Energy: 0.7949292947982229
Energy: 0.8211991931878333
Energy: 0.8700087102991846
Energy: 0.6931169001844885
Energy: 0.6765282446707103
Energy: 0.7808935823341923
Energy: 0.8207421598849899
Energy: 0.8822290916514206
Energy: 0.6934745409140819
Energy: 0.677796393691967
Energy: 0.8514020412002326
Energy: 0.7994812615269742
Energy: 0.7623556492651941
Energy: 0.6568467563460457
Energy: 0.9037858473933578
Energy: 0.8914196133251155
Energy: 0.8010825693035625
Energy: 0.7618402269338893
Energy: 0.6568826352401991
Energy: 0.9038042565485418
Energy: 0.6767950714121896
Energy: 0.6932496173970043
Energy: 0.816740644738578
Energy: 0.7254670953682745
Energy: 0.824428321583295
Energy: 0.6760920300387159
Energy: 0.6932106238761326
Energy: 0.8679285139014268
Energy: 0.7235270661587179
Energy: 0.8238817429930735
Energy: 0.7199984419352825
Energy: 0.6636659251572817
Energy: 0.692017069590999
Energy: 0.906592125980596
Energy: 0.7344637501121137
Energy: 0.7202514263753936
Energy: 0.6925352113787578
Energy: 0.8130699344776026
Energy: 0.9082663524598402
Energy: 0.7344654794563205
Energy: 0.7518901231603243
Energy: 0.7978930446288742
Energy: 0.6980735164374776
Energy: 0.7295506501083622
Energy: 0.869041594449265
Energy: 0.7505858756307545
Energy: 0.8669978862703368
Energy: 0.698836834354535
Energy: 0.8737649710888707
Energy: 0.8643519737518361
Energy: 0.8557201451711698
Energy: 0.9102572772010139
Energy: 0.8328414091996788
Energy: 0.7184555824813671
Energy: 0.6851421107949758
Energy: 0.8549850262054504
Energy: 0.9108671649630857
Energy: 0.860042741804306
Energy: 0.7185404757764798
Energy: 0.6828207127515076

minimum gb energy = 0.6568467563460457 eV
minimum distance =  2.43133912366857 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.7764383721541418
Energy: 0.9439827390203999
Energy: 0.8285844995031204
Energy: 0.892184738522373
Energy: 0.9070179630523576
Energy: 0.7772895210458302
Energy: 0.9414211019083529
Energy: 0.8044607058013464
Energy: 0.8929101681525897
Energy: 0.8918821810934506
Energy: 0.8246429639027982
Energy: 0.8074394128266524
Energy: 0.7469501650403848
Energy: 0.7073407849064134
Energy: 0.8576437238231294
Energy: 0.7477069655435651
Energy: 0.8081952595523146
Energy: 0.7401211591371643
Energy: 0.7939130350464758
Energy: 0.8556746626016989
Energy: 0.7743505045958626
Energy: 0.8374673346026176
Energy: 0.7964410495722682
Energy: 0.7985773687841231
Energy: 0.6968728024203561
Energy: 0.773645313772091
Energy: 0.8456763683478467
Energy: 0.8421396015642919
Energy: 0.7978097758638031
Energy: 0.696305839164262
Energy: 0.7327004351138697
Energy: 0.7752235877682405
Energy: 0.8594091997316803
Energy: 0.8259757713550656
Energy: 0.6968596286383103
Energy: 0.7324310256430714
Energy: 0.795422419907433
Energy: 0.850268906125689
Energy: 0.826299078062682
Energy: 0.6969305039855956
Energy: 0.8936565715770459
Energy: 0.8652123243907311
Energy: 0.8586301732588613
Energy: 0.7798840326043733
Energy: 0.8838529407130975
Energy: 0.8118902877918309
Energy: 0.8690146639415397
Energy: 0.860349614865117
Energy: 0.7803341683107224
Energy: 0.8840670658940868
Energy: 0.8622428948584939
Energy: 0.7796957582340184
Energy: 0.7387603257873234
Energy: 0.8271297979479452
Energy: 0.7813891473981655
Energy: 0.8616922628881697
Energy: 0.7807686278933547
Energy: 0.740027260827781
Energy: 0.85946143702111
Energy: 0.78098796585086
Energy: 0.7725387369778668
Energy: 0.7422374534980608
Energy: 0.6959954923994364
Energy: 0.8482501173636727
Energy: 0.839707068610721
Energy: 0.7461717853315943
Energy: 0.7415761956424353
Energy: 0.695663823178703
Energy: 0.8544588706972343
Energy: 0.8405956988652388
Energy: 0.8453583825540607
Energy: 0.7723282263733072
Energy: 0.8556157652959949
Energy: 0.7692630213112961
Energy: 0.818499118795883
Energy: 0.8491920070280783
Energy: 0.8011642116258014
Energy: 0.8542595166409417
Energy: 0.7575714148428135
Energy: 0.8179564946426804
Energy: 0.7767804003937223
Energy: 0.8488386288549987
Energy: 0.8249438893242051
Energy: 0.8423004121226206
Energy: 0.7990618017842521
Energy: 0.7980868142598094
Energy: 0.8742223346254594
Energy: 0.8225435088722878
Energy: 0.8430422673133634
Energy: 0.8081424637106256
Energy: 0.9132978694874792
Energy: 0.8692899988024153
Energy: 0.8330436310436902
Energy: 0.9125655535681048
Energy: 0.8436848723561117
Energy: 0.9211471899950312
Energy: 0.8550148881727705
Energy: 0.8142304045596803
Energy: 0.9051243381066225
Energy: 0.8299918730450582
Energy: 0.6983791612785886
Energy: 0.6983030338165548
Energy: 0.8353972625783103
Energy: 0.8333857142611099
Energy: 0.8426774139743604
Energy: 0.6997872671449034
Energy: 0.6983887551967252
Energy: 0.8367940197531903
Energy: 0.8340962968737942
Energy: 0.8084787570120633
Energy: 0.7250728777966188
Energy: 0.6979028776429306
Energy: 0.6972171316448454
Energy: 0.8949445538874877
Energy: 0.7239241338862005
Energy: 0.7229766648915155
Energy: 0.6975101904212389
Energy: 0.8933008611948859
Energy: 0.8386174817680687
Energy: 0.723377630621322
Energy: 0.698856465006965
Energy: 0.8560485388995245
Energy: 0.7633065533301558
Energy: 0.7787020714662222
Energy: 0.8482806444958345
Energy: 0.6983078501146569
Energy: 0.855984356668698
Energy: 0.7623224795331237
Energy: 0.7982691900058119
Energy: 0.8352579400537316
Energy: 0.9181098663708376
Energy: 0.8790545599988129
Energy: 0.8960835333638395
Energy: 0.7555686429924359
Energy: 0.8174540452056306
Energy: 0.9176506341740565
Energy: 0.88028053618378
Energy: 0.8352925398974207
Energy: 0.7576425369652381
Energy: 0.8334025454671955

minimum gb energy = 0.695663823178703 eV
minimum distance =  2.41674692887277 Angstroms
sigma value = 33