Model name: model_name=Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 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=90.0
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: 0.01039905731198054
Energy: 0.011564893633884412
Energy: 0.4119125664394632
Energy: 0.011564893633884412
Energy: 0.011564893633884412
Energy: 0.3185155324212644
Energy: 0.011564893633884412
Energy: 0.3185155324212644
Energy: 0.411912566439965
Energy: 0.011564893633382613
Energy: 0.01039905731198054
Energy: 0.011564893633884412
Energy: 0.011564893633884412
Energy: 0.3185155324212644
Energy: 0.011564893633884412
Energy: 0.3185155324212644

minimum gb energy = 0.01039905731198054 eV
minimum distance =  2.77183391524905 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.8348199644604476
Energy: 0.7406625965260816
Energy: 0.6980807049093246
Energy: 0.7406625965266901
Energy: 0.6449767083804365
Energy: 0.6940505031521955
Energy: 0.6570699948956225
Energy: 0.6940505031521955
Energy: 0.6980208032232482
Energy: 0.7507938617064006
Energy: 0.6302405863553661
Energy: 0.7507938617051835
Energy: 0.6561214998579349
Energy: 0.6330720836196362
Energy: 0.6569843317132148
Energy: 0.6330720836196362
Energy: 0.7635883238806938
Energy: 0.6490073625204579
Energy: 0.6411297013495785
Energy: 0.6490073625210664
Energy: 0.6462289564388811
Energy: 0.7328772224710935
Energy: 0.6362481916824517
Energy: 0.7328772224710935
Energy: 0.6453816028176612
Energy: 0.5929978336998781
Energy: 0.6841276769681479
Energy: 0.5929978337004866
Energy: 0.6239135782931726
Energy: 0.5947683913626799
Energy: 0.6539023606267456
Energy: 0.5947683913626799
Energy: 0.6892472868615571
Energy: 0.5653846529200729
Energy: 0.6866955941781265
Energy: 0.5653846529206815
Energy: 0.6473190908319603
Energy: 0.5679904987655625
Energy: 0.6237787969683978
Energy: 0.5679904987655625
Energy: 0.710814255450746
Energy: 0.5654289631075915
Energy: 0.6990430663528551
Energy: 0.5654289631082001
Energy: 0.626903268863485
Energy: 0.6421618019376353
Energy: 0.6510911521379784
Energy: 0.6421618019388524
Energy: 0.6471875715225327
Energy: 0.6099370964417148
Energy: 0.6170020764375848
Energy: 0.6099370964417148
Energy: 0.6570500038811421
Energy: 0.6866702759994644
Energy: 0.6314324119472087
Energy: 0.6866702760006815
Energy: 0.6150199683203308
Energy: 0.6796184334320479
Energy: 0.6386063005327092
Energy: 0.6796184334320479
Energy: 0.6437033998475322
Energy: 0.6349832337132459
Energy: 0.642944691591279
Energy: 0.6349832337138545
Energy: 0.6974840989407534
Energy: 0.7010860467577392
Energy: 0.6424999186986742
Energy: 0.7010860467571306
Energy: 0.6567358617230544
Energy: 0.6310899974645312
Energy: 0.6559912520070241
Energy: 0.6310899974645312
Energy: 0.6261740078854519
Energy: 0.7504913962678423
Energy: 0.6990704592963869
Energy: 0.7504913962678423
Energy: 0.6484651309025343
Energy: 0.8545295610828086
Energy: 0.6571832479669381
Energy: 0.8545295610822
Energy: 0.6411937419827265
Energy: 0.6934809973937901
Energy: 0.7622700995825257
Energy: 0.6934809973937901
Energy: 0.6357563171027535
Energy: 0.7317974924858925
Energy: 0.656390602628156
Energy: 0.7317974924858925
Energy: 0.6645026828004664
Energy: 0.5932692800864199
Energy: 0.6456270116723747
Energy: 0.5932692800864199
Energy: 0.6518550801796024
Energy: 0.5946502312180917
Energy: 0.6219219165593313
Energy: 0.5946502312168745
Energy: 0.6849893552984229
Energy: 0.5668618761212155
Energy: 0.6888557378728873
Energy: 0.5668618761199984
Energy: 0.6237333701620729
Energy: 0.5674257032901284
Energy: 0.6486538250611289
Energy: 0.567425703290737
Energy: 0.698750797438283
Energy: 0.5665621584256233
Energy: 0.7087360967136318
Energy: 0.5665621584262318
Energy: 0.6492216044944071
Energy: 0.5672734592766354
Energy: 0.6393527307227246
Energy: 0.5672734592766354
Energy: 0.6176512890234062
Energy: 0.5931178424964926
Energy: 0.6475709135722687
Energy: 0.5931178424989269
Energy: 0.631347661008433
Energy: 0.5943829846434423
Energy: 0.6568752890212174
Energy: 0.5943829846434423
Energy: 0.6390150083989906
Energy: 0.6343078679526633
Energy: 0.6110120569145482
Energy: 0.6343078679526633
Energy: 0.6562146547649479
Energy: 0.679627393861402
Energy: 0.6438086408856916
Energy: 0.679627393861402
Energy: 0.6421777564510802
Energy: 0.7007430393916437
Energy: 0.698521542311117
Energy: 0.7007430393916437

minimum gb energy = 0.5653846529200729 eV
minimum distance =  2.50399334247731 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.7329800161856653
Energy: 0.7680035280781576
Energy: 0.7216343670840312
Energy: 0.7680035280795453
Energy: 0.6770539720281404
Energy: 0.7839811692982801
Energy: 0.6777451189496492
Energy: 0.7839811692982801
Energy: 0.7250369729138719
Energy: 0.7778854793787229
Energy: 0.717642171799494
Energy: 0.7778854793780289
Energy: 0.6783330249393116
Energy: 0.7395483813071279
Energy: 0.6782422989774782
Energy: 0.7395483813057402
Energy: 0.7152589164782513
Energy: 0.6682047673538472
Energy: 0.6589700086046505
Energy: 0.6682047673545409
Energy: 0.6784380514937758
Energy: 0.7358285344293466
Energy: 0.6559795980223839
Energy: 0.7358285344300405
Energy: 0.6734641330639872
Energy: 0.6077128631090783
Energy: 0.7398372164105314
Energy: 0.6077128631083843
Energy: 0.6449844688891064
Energy: 0.6093338549590891
Energy: 0.6691900154319482
Energy: 0.6093338549570074
Energy: 0.7342502143360243
Energy: 0.5863075480101013
Energy: 0.6882854042400925
Energy: 0.5863075480114892
Energy: 0.6682312894672953
Energy: 0.5893490847230263
Energy: 0.6462611546705112
Energy: 0.5893490847216386
Energy: 0.7613810592125853
Energy: 0.6222608295561456
Energy: 0.6771339151486812
Energy: 0.6222608295568394
Energy: 0.6502157080985445
Energy: 0.6904724019406117
Energy: 0.6779392243329349
Energy: 0.6904724019419994
Energy: 0.6608065902543551
Energy: 0.7022711064018866
Energy: 0.7508524878499399
Energy: 0.7022711064025807
Energy: 0.6788069222985248
Energy: 0.7056520843378655
Energy: 0.6631758137382728
Energy: 0.7056520843385594
Energy: 0.6577089758145044
Energy: 0.7278839751927876
Energy: 0.720979903704999
Energy: 0.7278839751920938
Energy: 0.6776012993894464
Energy: 0.6496321647483687
Energy: 0.6784993575887428
Energy: 0.6496321647490626
Energy: 0.7278813035605058
Energy: 0.7772093342022592
Energy: 0.8357463736526757
Energy: 0.7772093342029532
Energy: 0.6789402518231851
Energy: 0.7843450729788433
Energy: 0.6675543138309312
Energy: 0.7843450729774556
Energy: 0.7151083617844245
Energy: 0.7165697565809401
Energy: 0.6599292442496342
Energy: 0.7165697565809401
Energy: 0.6782697295649552
Energy: 0.6534818600578695
Energy: 0.6553774121029589
Energy: 0.6534818600592572
Energy: 0.6740266021941401
Energy: 0.6083372194175449
Energy: 0.7403468591328943
Energy: 0.6083372194161571
Energy: 0.6675470332652255
Energy: 0.6087347156463875
Energy: 0.6699144122653236
Energy: 0.6087347156456937
Energy: 0.7337091901054517
Energy: 0.5880768392293736
Energy: 0.6884653169717728
Energy: 0.5880768392293736
Energy: 0.6678336246662685
Energy: 0.5885172227161114
Energy: 0.662366392656039
Energy: 0.5885172227174992
Energy: 0.7619733453429155
Energy: 0.6080074254297644
Energy: 0.6776437150097265
Energy: 0.6080074254290704
Energy: 0.6503678316698484
Energy: 0.6095461126696243
Energy: 0.6768956397581118
Energy: 0.6095461126703182
Energy: 0.6613199052986959
Energy: 0.6530983063016084
Energy: 0.7530028309298605
Energy: 0.6530983063029963
Energy: 0.6815905468090397
Energy: 0.7188364993960451
Energy: 0.6635296295231553
Energy: 0.7188364993967391
Energy: 0.6586305289518863
Energy: 0.7276992178823768
Energy: 0.7227093739378871
Energy: 0.7276992178830707

minimum gb energy = 0.5863075480101013 eV
minimum distance =  2.50207776931187 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.8632123791894848
Energy: 0.7937681105650969
Energy: 0.746504008268209
Energy: 0.7937681105650969
Energy: 0.7003695721325095
Energy: 0.7913955824819721
Energy: 0.700539164494166
Energy: 0.7913955824819721
Energy: 0.7473904939872851
Energy: 0.8066184976759007
Energy: 0.8142832804306698
Energy: 0.8066184976767073
Energy: 0.7005783139195143
Energy: 0.7462942321105344
Energy: 0.7004033484662737
Energy: 0.7462942321097278
Energy: 0.7955746309792588
Energy: 0.6880232876745053
Energy: 0.6823139615516174
Energy: 0.6880232876753118
Energy: 0.7000492112314124
Energy: 0.6673636967907828
Energy: 0.6779837440944663
Energy: 0.6673636967915894
Energy: 0.7089522167264972
Energy: 0.6240336118156401
Energy: 0.6976243982439283
Energy: 0.6240336118156401
Energy: 0.6686167862357361
Energy: 0.6248512796464979
Energy: 0.6853968034678466
Energy: 0.6248512796464979
Energy: 0.7100759921066403
Energy: 0.6413200056976274
Energy: 0.7304966822642809
Energy: 0.6413200056968208
Energy: 0.6994923951506203
Energy: 0.6268509659126426
Energy: 0.6782174781093824
Energy: 0.6268509659126426
Energy: 0.857557140384498
Energy: 0.7242379466810692
Energy: 0.6791360083027234
Energy: 0.7242379466810692
Energy: 0.679759942128024
Energy: 0.7331674702338045
Energy: 0.6999642375799369
Energy: 0.7331674702338045
Energy: 0.745698948286485
Energy: 0.7498486756531961
Energy: 0.846941291651355
Energy: 0.7498486756531961
Energy: 0.7005810135873861
Energy: 0.6722963898079636
Energy: 0.7003240787498334
Energy: 0.6722963898079636
Energy: 0.81252646242973
Energy: 0.8067637873825578
Energy: 0.7466520189473036
Energy: 0.8067637873817513
Energy: 0.6844523034759583
Energy: 0.7918003966070409
Energy: 0.6993942950740962
Energy: 0.7918003966070409
Energy: 0.6828048555780172
Energy: 0.7408076502631055
Energy: 0.7871758121588042
Energy: 0.7408076502631055
Energy: 0.68087943949089
Energy: 0.6704542546562786
Energy: 0.700140308128489
Energy: 0.6704542546562786
Energy: 0.6980438466333329
Energy: 0.6253933635024914
Energy: 0.7086425648589862
Energy: 0.6253933635024914
Energy: 0.6867745903788232
Energy: 0.6252924094748414
Energy: 0.7037940655830952
Energy: 0.6252924094756479
Energy: 0.7306327864135664
Energy: 0.6245321491361188
Energy: 0.7108644965860542
Energy: 0.6245321491361188
Energy: 0.6960732889942899
Energy: 0.6415775665527521
Energy: 0.699370514088259
Energy: 0.6415775665535587
Energy: 0.6783882345163296
Energy: 0.669154448865571
Energy: 0.8579789574838566
Energy: 0.6691544488647643
Energy: 0.6999007740374171
Energy: 0.6713205411818233
Energy: 0.6789506674626347
Energy: 0.6713205411834366
Energy: 0.8465885446097053
Energy: 0.7489962500866731
Energy: 0.7480721824648211
Energy: 0.7489962500858665

minimum gb energy = 0.6240336118156401 eV
minimum distance =  2.50364866475411 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8377319996832392
Energy: 0.8225387286500195
Energy: 0.7591036763939789
Energy: 0.8225387286509818
Energy: 0.7039056500777909
Energy: 0.7911817038769596
Energy: 0.7150695583740214
Energy: 0.7911817038769596
Energy: 0.7602958675799274
Energy: 0.8317962015889171
Energy: 0.7609086644102914
Energy: 0.8317962015898794
Energy: 0.7198611209305303
Energy: 0.74233889263673
Energy: 0.7156637696994708
Energy: 0.74233889263673
Energy: 0.7430104905675771
Energy: 0.709970266783985
Energy: 0.6987826429861924
Energy: 0.7099702667830229
Energy: 0.719588568959535
Energy: 0.6784197256309423
Energy: 0.7077118322447602
Energy: 0.6784197256319044
Energy: 0.6916783072895832
Energy: 0.6844232510546786
Energy: 0.7692985872910038
Energy: 0.6844232510546786
Energy: 0.7021164872120309
Energy: 0.6832117530439238
Energy: 0.7189563318014841
Energy: 0.6832117530429616
Energy: 0.6990385000253616
Energy: 0.7457393789665459
Energy: 0.8118153453827569
Energy: 0.745739378967508
Energy: 0.7143429007114428
Energy: 0.6827471219402726
Energy: 0.6964804806628787
Energy: 0.6827471219393324
Energy: 0.8217225471673801
Energy: 0.7598672246858109
Energy: 0.7584768850582632
Energy: 0.7598672246858109
Energy: 0.7042683095865371
Energy: 0.7921089955511559
Energy: 0.7154517753154173
Energy: 0.7921089955511559
Energy: 0.7593965571574693
Energy: 0.8324353842336693
Energy: 0.760870306368058
Energy: 0.8324353842336693
Energy: 0.7090382581498085
Energy: 0.7914381121680293
Energy: 0.6950724946983551
Energy: 0.7914381121680293
Energy: 0.7430730974077575
Energy: 0.773108875773912
Energy: 0.7005678055292529
Energy: 0.7731088757748741
Energy: 0.7210919636853523
Energy: 0.6788280990395907
Energy: 0.7077405215741457
Energy: 0.6788280990395907
Energy: 0.6931054722270898
Energy: 0.6571144973747991
Energy: 0.7700917615809934
Energy: 0.6571144973757614
Energy: 0.6925867402378915
Energy: 0.683105714010837
Energy: 0.7206586378186677
Energy: 0.6831057140117773
Energy: 0.6994360369740614
Energy: 0.6804102762377542
Energy: 0.8109943203873099
Energy: 0.6804102762377542
Energy: 0.7143979887145346
Energy: 0.6851649815734404
Energy: 0.8107541464641056
Energy: 0.6851649815724782
Energy: 0.7990750539127751
Energy: 0.6862959096907147
Energy: 0.7598831190784308
Energy: 0.6862959096907147

minimum gb energy = 0.6571144973747991 eV
minimum distance =  2.47675842096427 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.7237467241396244
Energy: 0.6692401029321181
Energy: 0.7577037734409044
Energy: 0.6692401029321181
Energy: 0.7005585677765173
Energy: 0.7750350560887261
Energy: 0.7037548086023413
Energy: 0.7750350560899162
Energy: 0.7566442673351552
Energy: 0.8577140900902934
Energy: 0.8727097974367476
Energy: 0.8577140900914834
Energy: 0.6958898451605817
Energy: 0.7755515108765362
Energy: 0.7036462893469204
Energy: 0.7755515108765362
Energy: 0.6895451387485197
Energy: 0.6738195451324128
Energy: 0.7068537547023489
Energy: 0.6738195451336029
Energy: 0.7125707613994957
Energy: 0.6731054486912338
Energy: 0.7312477241583352
Energy: 0.6731054486912338
Energy: 0.7225594188618604
Energy: 0.7655157826320245
Energy: 0.707462840145362
Energy: 0.7655157826320245
Energy: 0.7235972150238688
Energy: 0.6798346897671484
Energy: 0.7048416738016231
Energy: 0.6798346897659584
Energy: 0.8275698352695904
Energy: 0.7592862719082235
Energy: 0.6985373417155106
Energy: 0.7592862719082235
Energy: 0.7045490407557287
Energy: 0.6826272817598866
Energy: 0.7008630125986917
Energy: 0.6826272817598866
Energy: 0.872102033698578
Energy: 0.8580939132614701
Energy: 0.7581566592164025
Energy: 0.85809391326266
Energy: 0.696019920657337
Energy: 0.7757664815849563
Energy: 0.6940472445211902
Energy: 0.7757664815849563
Energy: 0.7085160783369203
Energy: 0.7659619941430894
Energy: 0.6896317253428295
Energy: 0.7659619941442795
Energy: 0.7067993734818276
Energy: 0.6740521886458632
Energy: 0.7151724084567253
Energy: 0.6740521886446734
Energy: 0.7086451873191418
Energy: 0.6741797401896142
Energy: 0.7234178405833556
Energy: 0.6741797401896142
Energy: 0.7050785543180255
Energy: 0.7673683037294374
Energy: 0.7230846460929935
Energy: 0.7673683037294374
Energy: 0.7004735400182959
Energy: 0.6965498749060935
Energy: 0.8275156397527418
Energy: 0.6965498749060935

minimum gb energy = 0.6692401029321181 eV
minimum distance =  2.44030689844788 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.0108954548692062
Energy: 0.7566243357496002
Energy: 0.8246944319261924
Energy: 0.7566243357496002
Energy: 0.7582964179424283
Energy: 0.7640549980478601
Energy: 0.7583030258751602
Energy: 0.7640549980471862
Energy: 0.7182884561403293
Energy: 0.7882306916455215
Energy: 0.9010050004287647
Energy: 0.7882306916448474
Energy: 0.6724171801269322
Energy: 0.6739800852656153
Energy: 0.7580757429612898
Energy: 0.6739800852662892
Energy: 0.769797818586814
Energy: 0.7136137661583185
Energy: 0.7080295792864078
Energy: 0.7136137661589924
Energy: 0.755754264277986
Energy: 0.7306028233425849
Energy: 0.7356132164287351
Energy: 0.7306028233419108
Energy: 0.8104395469008047
Energy: 0.8067392590634026
Energy: 0.7381916010417503
Energy: 0.8067392590647506
Energy: 0.7391841762531497
Energy: 0.6730978159896029
Energy: 0.7597177239283164
Energy: 0.6730978159902768
Energy: 0.8273208747429589
Energy: 0.8730843159875374
Energy: 0.8938366422026774
Energy: 0.8730843159861896
Energy: 0.8123413849566489
Energy: 0.8297317479183286
Energy: 0.7437256821218299
Energy: 0.8297317479190025
Energy: 0.7588510773095123
Energy: 0.7981042865901448
Energy: 0.6942391653286423
Energy: 0.7981042865908187
Energy: 0.7443801056158383
Energy: 0.7004483708751074
Energy: 0.6943816965551709
Energy: 0.7004483708730854
Energy: 0.7863748433649468
Energy: 0.7026647370485455
Energy: 0.6936993496230094
Energy: 0.7026647370485455
Energy: 0.8180096325010322
Energy: 0.7644486104047428
Energy: 0.7267724567318611
Energy: 0.7644486104040688
Energy: 0.8428553394035703
Energy: 0.8168878556158059
Energy: 0.7305586266835908
Energy: 0.8168878556171538
Energy: 0.8271392271063323
Energy: 0.8165450062645051
Energy: 0.9693095781302199
Energy: 0.8165450062638311
Energy: 0.8940303720927368
Energy: 0.8084305054537456
Energy: 0.7173387406439278
Energy: 0.8084305054524282
Energy: 0.7860291194457286
Energy: 0.8071905214413018
Energy: 0.7278109576954177
Energy: 0.8071905214419757
Energy: 0.7614045476171214
Energy: 0.7206995681741654
Energy: 0.7692512659102255
Energy: 0.7206995681748395
Energy: 0.7072174357429531
Energy: 0.7511709622192652
Energy: 0.7691577913899115
Energy: 0.7511709622192652
Energy: 0.6734880224728617
Energy: 0.6741703133610049
Energy: 0.7393294327801856
Energy: 0.6741703133610049
Energy: 0.7172306699558477
Energy: 0.848632381456836
Energy: 0.8130693290752191
Energy: 0.8486323814554881
Energy: 0.7430678223427305
Energy: 0.7611791048449997
Energy: 0.7938121932141308
Energy: 0.7611791048443257
Energy: 0.894937274044703
Energy: 0.8750606567541447
Energy: 0.8317094915008222
Energy: 0.8750606567548186
Energy: 0.7261950490455652
Energy: 0.7144950707102551
Energy: 0.7072867948581126
Energy: 0.7144950707102551
Energy: 0.6948733695719941
Energy: 0.7623274296931499
Energy: 0.7576539480576776
Energy: 0.7623274296931499
Energy: 0.7313684222241196
Energy: 0.7485634588708385
Energy: 0.7436737326553526
Energy: 0.7485634588715124
Energy: 0.6945335014608152
Energy: 0.7634499540612727
Energy: 0.8191731344168114
Energy: 0.7634499540612727
Energy: 0.7272519873015455
Energy: 0.7070723629414286
Energy: 0.7178558660859052
Energy: 0.7070723629414286
Energy: 0.9834945374307676
Energy: 0.8319727729829974
Energy: 0.8261529732643186
Energy: 0.8319727729829974

minimum gb energy = 0.6724171801269322 eV
minimum distance =  2.47781887094708 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.896493139640471
Energy: 0.7160665205750032
Energy: 0.7327164258825231
Energy: 0.7160665205750032
Energy: 0.7019805106042306
Energy: 0.6599672778868202
Energy: 0.7727665007918764
Energy: 0.6599672778961295
Energy: 0.7318260360708166
Energy: 0.7366594625315659
Energy: 0.7336717893231832
Energy: 0.7366594625315659
Energy: 0.6626655628987957
Energy: 0.6601628162572153
Energy: 0.6811754675820159
Energy: 0.6601628162572153
Energy: 0.7597952176753038
Energy: 0.6448837721969547
Energy: 0.5969618623460297
Energy: 0.6448837721969547
Energy: 0.6596915805241176
Energy: 0.6448112184026052
Energy: 0.5970428123485246
Energy: 0.6448112184041568
Energy: 0.8901774024541259
Energy: 0.7338993450374709
Energy: 0.7933205342356374
Energy: 0.7338993450343677
Energy: 0.7019816694776158
Energy: 0.6617279042990024
Energy: 0.8182540589967232
Energy: 0.6617279042974509
Energy: 0.7329259257877723
Energy: 0.7346751951909395
Energy: 0.7352316210226714
Energy: 0.7346751951924909
Energy: 0.6612286439375255
Energy: 0.6621648629767067
Energy: 0.6806554149129881
Energy: 0.6621648629767067
Energy: 0.7596553243879106
Energy: 0.6847255729680898
Energy: 0.5970329130003207
Energy: 0.6847255729680898
Energy: 0.6810604748077662
Energy: 0.6828295027041688
Energy: 0.5964912663218005
Energy: 0.6828295027041688
Energy: 0.7021854973563256
Energy: 0.6618626757045177
Energy: 0.7935054643087938
Energy: 0.6618626757045177

minimum gb energy = 0.5964912663218005 eV
minimum distance =  2.45460178036099 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.8504280370072496
Energy: 0.79754952163187
Energy: 0.8557623501524593
Energy: 0.79754952163187
Energy: 0.8278165973693739
Energy: 0.7806655134800954
Energy: 0.8894642199429297
Energy: 0.7806655134823924
Energy: 0.6787127749729233
Energy: 0.6806394533228817
Energy: 0.7994135907089434
Energy: 0.6806394533217331
Energy: 0.6551153856326603
Energy: 0.6591460063641904
Energy: 0.8186106960082998
Energy: 0.6591460063641904
Energy: 0.6780493411696551
Energy: 0.6790529572004109
Energy: 0.8619126299307321
Energy: 0.6790529571992624
Energy: 0.677533655125687
Energy: 0.7847204365881776
Energy: 0.8614928043190788
Energy: 0.7847204365876034
Energy: 0.9175141892123934
Energy: 0.8590110260022427
Energy: 0.8580078667811334
Energy: 0.8590110260022427
Energy: 0.8378762905778496
Energy: 0.7970435457572126
Energy: 0.8905871329001682
Energy: 0.7970435457549155
Energy: 0.7094476098100443
Energy: 0.7925286346286742
Energy: 0.6933947229178135
Energy: 0.7925286346298227
Energy: 0.6486913921738294
Energy: 0.7311724875255674
Energy: 0.7896801332426171
Energy: 0.7311724875255674
Energy: 0.758485978726139
Energy: 0.7372142919436582
Energy: 0.8221091094403821
Energy: 0.7372142919436582
Energy: 0.7542911578839238
Energy: 0.7587387008197531
Energy: 0.8555530409327264
Energy: 0.7587387008197531
Energy: 0.8426118938916495
Energy: 0.7725303551640735
Energy: 0.757941546972743
Energy: 0.7725303551663705
Energy: 0.8756421110173994
Energy: 0.7719345985494216
Energy: 0.7581245752567646
Energy: 0.7719345985505701
Energy: 0.8510167592128931
Energy: 0.7123593066682318
Energy: 0.7029050106550312
Energy: 0.7123593066688061
Energy: 0.7439853957196614
Energy: 0.7378517153814868
Energy: 0.7026392471120224
Energy: 0.7378517153809125
Energy: 0.8044008313169158
Energy: 0.8200847599838255
Energy: 0.7717607583003698
Energy: 0.8200847599832511
Energy: 0.8553598485857229
Energy: 0.8585654572210845
Energy: 0.8524748110020072
Energy: 0.8585654572210845
Energy: 0.888626766255928
Energy: 0.8178688629967491
Energy: 0.8260894266553164
Energy: 0.8178688629967491
Energy: 0.799355947021546
Energy: 0.6788382696334219
Energy: 0.6786619629347876
Energy: 0.6788382696339961
Energy: 0.8184997587133743
Energy: 0.65924569243605
Energy: 0.684966200252107
Energy: 0.65924569243605
Energy: 0.8612403955367349
Energy: 0.6807477486531622
Energy: 0.6812013694384002
Energy: 0.6807477486537366
Energy: 0.8619612862808518
Energy: 0.8142610869680721
Energy: 0.702530358077655
Energy: 0.8142610869669237
Energy: 0.8619140885422446
Energy: 0.858825461702373
Energy: 0.87004362440284
Energy: 0.8588254617029473
Energy: 0.8930497680732111
Energy: 0.8344562768129862
Energy: 0.8416536429283081
Energy: 0.834456276812412
Energy: 0.6948186543807254
Energy: 0.7933967678926942
Energy: 0.7097613505742801
Energy: 0.7933967678926942
Energy: 0.7884766194476401
Energy: 0.7317728430146441
Energy: 0.6483739403438552
Energy: 0.7317728430152183
Energy: 0.8210876193192582
Energy: 0.7517176810201286
Energy: 0.7602732896778521
Energy: 0.7517176810212771
Energy: 0.8557655247326639
Energy: 0.7531498594912572
Energy: 0.7545230180228428
Energy: 0.7531498594912572
Energy: 0.7979032346554145
Energy: 0.7738235781877693
Energy: 0.8807394961503495
Energy: 0.7738235781883435
Energy: 0.7518004902570891
Energy: 0.7552080258000653
Energy: 0.7955790140752672
Energy: 0.7552080258017881
Energy: 0.7100336290933158
Energy: 0.7264842910873819
Energy: 0.8517290495887225
Energy: 0.7264842910873819
Energy: 0.7017669334117255
Energy: 0.7377688627527638
Energy: 0.7450210609722523
Energy: 0.737768862753338
Energy: 0.7942926859358828
Energy: 0.8103350688174988
Energy: 0.7625645478309633
Energy: 0.8103350688186473
Energy: 0.8526215493714364
Energy: 0.8589527481694007
Energy: 0.8572878336118517
Energy: 0.8589527481711234

minimum gb energy = 0.6483739403438552 eV
minimum distance =  2.49410278032721 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.8688353949766835
Energy: 0.7938707100134059
Energy: 0.850242460434334
Energy: 0.7938707100124949
Energy: 0.7423321906546171
Energy: 0.8076199545626284
Energy: 0.8742570772450565
Energy: 0.8076199545626284
Energy: 0.7146878662719212
Energy: 0.7062440569361543
Energy: 0.7637593337712605
Energy: 0.706244056934332
Energy: 0.7328518996511414
Energy: 0.6785907829652916
Energy: 0.8572998681375945
Energy: 0.6785907829652916
Energy: 0.7045846789734423
Energy: 0.7125977649813392
Energy: 0.8692361367158743
Energy: 0.712597764980428
Energy: 0.7439750140304136
Energy: 0.8267262353371508
Energy: 0.8594693466974932
Energy: 0.8267262353380619
Energy: 0.8585359373231907
Energy: 0.9266823683086421
Energy: 0.8579732170539432
Energy: 0.9266823683086421
Energy: 0.8602006725715233
Energy: 0.8666982133423878
Energy: 0.8661047781601106
Energy: 0.8666982133423878
Energy: 0.7395075753561106
Energy: 0.7924404871664463
Energy: 0.7993282302790091
Energy: 0.7924404871664463
Energy: 0.6785627847369063
Energy: 0.7504705598732445
Energy: 0.7906044142193904
Energy: 0.7504705598723335
Energy: 0.7810467685697227
Energy: 0.7334485660123332
Energy: 0.9155113744653138
Energy: 0.7334485660123332
Energy: 0.753445375650163
Energy: 0.7537973764039327
Energy: 0.8013022862880118
Energy: 0.7537973764039327
Energy: 0.7919821705551877
Energy: 0.8250252198236925
Energy: 0.894491395481784
Energy: 0.8250252198236925
Energy: 0.7639418372084364
Energy: 0.7946391911266008
Energy: 0.7544261694322534
Energy: 0.794639191128423
Energy: 0.8761669910519156
Energy: 0.7308610753796658
Energy: 0.7423965551293329
Energy: 0.7308610753787548
Energy: 0.8709109536230286
Energy: 0.7174517288046401
Energy: 0.7184398286198123
Energy: 0.7174517288046401
Energy: 0.9437313650448005
Energy: 0.8969151273853027
Energy: 0.7893643678325826
Energy: 0.8969151273853027
Energy: 0.850173850422836
Energy: 0.8500163223607121
Energy: 0.8588058009950891
Energy: 0.8500163223598011
Energy: 0.8642861674267828
Energy: 0.7797838716086217
Energy: 0.8416617579239756
Energy: 0.7797838716095329
Energy: 0.7478983061320753
Energy: 0.7594205707860427
Energy: 0.7520987465590852
Energy: 0.7594205707860427
Energy: 0.8295097359355807
Energy: 0.756594055333962
Energy: 0.6828426416947383
Energy: 0.756594055334873
Energy: 0.8569963922101983
Energy: 0.845339318477721
Energy: 0.8606850669835472
Energy: 0.8453393184786322

minimum gb energy = 0.6785627847369063 eV
minimum distance =  2.46904942982444 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.95852098939029
Energy: 0.8043471665546403
Energy: 0.8753493242644885
Energy: 0.8043471665546403
Energy: 0.9081940766674893
Energy: 0.8485970082995037
Energy: 0.9610355939014493
Energy: 0.8485970082995037
Energy: 0.6763874362308442
Energy: 0.6756679553309632
Energy: 0.7044993171505792
Energy: 0.6756679553283862
Energy: 0.6774108117898302
Energy: 0.6591466662336909
Energy: 0.8334107061793325
Energy: 0.6591466662330466
Energy: 0.7531693359755308
Energy: 0.7582787485095365
Energy: 0.7665695446232211
Energy: 0.7582787485121134
Energy: 0.8220525848339651
Energy: 0.859343067133247
Energy: 0.7665573886048042
Energy: 0.8593430671338912
Energy: 0.8380986829109947
Energy: 0.8560430099613935
Energy: 0.7545131319826547
Energy: 0.8560430099620377
Energy: 0.8371598411271987
Energy: 0.7583253828060018
Energy: 0.753451052385229
Energy: 0.7583253828072904
Energy: 0.9309629519644391
Energy: 0.6592281887843997
Energy: 0.6737518756496481
Energy: 0.6592281887863326
Energy: 0.7759166760586687
Energy: 0.8473289236798222
Energy: 0.6758993099241855
Energy: 0.8473289236811106
Energy: 0.9467829735661626
Energy: 0.7855887446443863
Energy: 0.9392196611757012
Energy: 0.7855887446469634
Energy: 0.8796376151797889
Energy: 0.8859955746727545
Energy: 0.8381649974024014
Energy: 0.8859955746721102
Energy: 0.8022283118734603
Energy: 0.7838549482743971
Energy: 0.6760593074120014
Energy: 0.7838549482750412
Energy: 0.7172422300407996
Energy: 0.6839573875771869
Energy: 0.645793430273043
Energy: 0.6839573875784754
Energy: 0.8201072642463666
Energy: 0.7515957816211317
Energy: 0.7040821605186756
Energy: 0.7515957816211317
Energy: 0.8889822079887723
Energy: 0.8753296366929186
Energy: 0.8880261282357337
Energy: 0.8753296366929186
Energy: 0.8883988264274537
Energy: 0.7842252708700292
Energy: 0.9565987901229284
Energy: 0.7842252708668371
Energy: 0.7702609845896583
Energy: 0.8475761676271131
Energy: 0.7022549476002633
Energy: 0.8475761676271131
Energy: 0.674090693912708
Energy: 0.6584008938708141
Energy: 0.8835137388796805
Energy: 0.6584008938695257
Energy: 0.752600213086373
Energy: 0.7352240915482053
Energy: 0.8939052658097789
Energy: 0.7352240915469168
Energy: 0.7632133488944665
Energy: 0.8559445491275824
Energy: 0.7658683665671744
Energy: 0.8559445491295152
Energy: 0.8350733842352328
Energy: 0.8657168423430212
Energy: 0.7562919634151913
Energy: 0.8657168423436655
Energy: 0.8349804147742999
Energy: 0.7585995019660441
Energy: 0.7556400439443115
Energy: 0.7585995019653997
Energy: 0.8613158523173734
Energy: 0.6587577412481205
Energy: 0.6760821256806844
Energy: 0.6587577412474762
Energy: 0.7752421039690301
Energy: 0.674946471733366
Energy: 0.6752963779066162
Energy: 0.6749464717340102
Energy: 0.8886917606875953
Energy: 0.7712975149758189
Energy: 0.8382774956663561
Energy: 0.7712975149771073
Energy: 0.8821438380327672
Energy: 0.8735880054912707
Energy: 0.8556440253833059
Energy: 0.8735880054912707
Energy: 0.8526357246880437
Energy: 0.7729334798286186
Energy: 0.8196962718754998
Energy: 0.7729334798311956
Energy: 0.7150561406001573
Energy: 0.6840796434429789
Energy: 0.7779166636582898
Energy: 0.6840796434423346
Energy: 0.8303859813820167
Energy: 0.7261213666870528
Energy: 0.6455198888945158
Energy: 0.7261213666876972
Energy: 0.8885293652842499
Energy: 0.8902609042706018
Energy: 0.884926664541581
Energy: 0.8902609042693133

minimum gb energy = 0.6455198888945158 eV
minimum distance =  2.49904751691836 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5307463927867853
Energy: 0.7309039085316362
Energy: 0.7336499927080475
Energy: 0.7309039085316362
Energy: 0.7195026389013426
Energy: 0.6301709547274008
Energy: 0.9023529806211618
Energy: 0.6301709547272013
Energy: 0.8955176312782795
Energy: 0.7275548825095104
Energy: 0.7006264540516342
Energy: 0.7275548825095104
Energy: 0.7195742401513716
Energy: 0.6670097329178238
Energy: 0.8988913476252255
Energy: 0.6670097329182727
Energy: 0.7332247563142513
Energy: 0.8475223230066083
Energy: 0.5319224241572077
Energy: 0.8475223230064088
Energy: 0.7668963433488206
Energy: 0.7760595000811655
Energy: 0.5316187406488215
Energy: 0.7760595000820382
Energy: 0.5381113165387312
Energy: 0.7542901757767488
Energy: 0.8951734090723619
Energy: 0.7542901757767488
Energy: 0.9024421990254813
Energy: 0.6304563942718725
Energy: 0.8801986406469223
Energy: 0.6304563942723214
Energy: 0.7197123881047894
Energy: 0.688903986136211
Energy: 0.7306972004790039
Energy: 0.6889039861359866

minimum gb energy = 0.5307463927867853 eV
minimum distance =  2.46962258950261 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.7489405468320609
Energy: 0.952443920642166
Energy: 0.7940592617346948
Energy: 0.952443920642166
Energy: 0.8316985750455606
Energy: 0.7012285253672929
Energy: 0.7300471800119143
Energy: 0.7012285253660758
Energy: 0.730760773849738
Energy: 0.7769452404300999
Energy: 0.6876222901132684
Energy: 0.7769452404307085
Energy: 0.6048297414516556
Energy: 0.7012766875954769
Energy: 0.8540282137546676
Energy: 0.7012766875942598
Energy: 0.8533372936013093
Energy: 0.7002549672967602
Energy: 0.8174235353343721
Energy: 0.7002549672955429
Energy: 0.731528433449459
Energy: 0.601404629063639
Energy: 0.81734408440765
Energy: 0.6014046290630304
Energy: 0.5937243762318722
Energy: 0.5975424985103167
Energy: 0.8323551377839888
Energy: 0.5975424985090996
Energy: 0.6382161900727523
Energy: 0.7952149451049628
Energy: 0.7567443064370595
Energy: 0.7952149451049628
Energy: 0.8402607629228219
Energy: 0.7953642843389196
Energy: 0.8389215207130349
Energy: 0.7953642843389196
Energy: 0.6741048500283252
Energy: 0.7257273619102338
Energy: 0.623206861129769
Energy: 0.7257273619096251
Energy: 0.8171501889150689
Energy: 0.5816110663518277
Energy: 0.6573642636214303
Energy: 0.5816110663524364
Energy: 0.7602891984208179
Energy: 0.5810088790374288
Energy: 0.6582080670361196
Energy: 0.5810088790374288
Energy: 0.7612069684099986
Energy: 0.8094545120975098
Energy: 0.8738970277455119
Energy: 0.8094545120975098
Energy: 0.8389025914440906
Energy: 0.8128237273324285
Energy: 0.6847020994705771
Energy: 0.81282372733182
Energy: 0.6309788228772027
Energy: 0.6978055448085497
Energy: 0.6858591843800131
Energy: 0.6978055448079412
Energy: 0.6386406142348199
Energy: 0.5955860349070511
Energy: 0.8530205854581541
Energy: 0.5955860349076597
Energy: 0.7198040957830196
Energy: 0.5961861385547313
Energy: 0.8790804918876733
Energy: 0.5961861385522971
Energy: 0.7304309672109532
Energy: 0.701976923006935
Energy: 0.8320522181266446
Energy: 0.7019769230063264
Energy: 0.683832272754061
Energy: 0.7764204634573797
Energy: 0.7311699166999686
Energy: 0.7764204634573797
Energy: 0.8321095435537802
Energy: 0.7006652686455166
Energy: 0.6043764256679259
Energy: 0.7006652686442995
Energy: 0.8180937914160393
Energy: 0.6995106533552925
Energy: 0.7292699544665321
Energy: 0.6995106533540754
Energy: 0.818452067391429
Energy: 0.5967564174236749
Energy: 0.6589891946519292
Energy: 0.596756417424892
Energy: 0.8341424915804676
Energy: 0.5961211556588716
Energy: 0.5948516917849116
Energy: 0.5961211556588716
Energy: 0.7634391504292235
Energy: 0.7939062894478737
Energy: 0.6376060612595245
Energy: 0.7939062894484823
Energy: 0.8374018961374082
Energy: 0.7854074533505283
Energy: 0.8396663388908235
Energy: 0.7854074533499197
Energy: 0.862629379696682
Energy: 0.7900914683119282
Energy: 0.6742577791720047
Energy: 0.7900914683131454
Energy: 0.658934076291821
Energy: 0.5816351025565799
Energy: 0.8183891901634132
Energy: 0.5816351025571884
Energy: 0.6582093082800117
Energy: 0.5812577140021865
Energy: 0.8628849359529165
Energy: 0.581257714002795
Energy: 0.818725950845229
Energy: 0.784684232451629
Energy: 0.7533716555703346
Energy: 0.7846842324510204
Energy: 0.6851989373329919
Energy: 0.8112750407438871
Energy: 0.8211765802752097
Energy: 0.8112750407438871
Energy: 0.6855589656456719
Energy: 0.6908723735180131
Energy: 0.629991859684683
Energy: 0.6908723735198388
Energy: 0.85384629027159
Energy: 0.5961913172179982
Energy: 0.5954313661821784
Energy: 0.5961913172192154
Energy: 0.878391025606217
Energy: 0.5996226481165964
Energy: 0.659401426464972
Energy: 0.5996226481159879

minimum gb energy = 0.5810088790374288 eV
minimum distance =  2.41777180562159 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.7907064470129623
Energy: 0.9361985966483113
Energy: 0.8030716638621131
Energy: 0.9361985966483113
Energy: 0.9051278403841282
Energy: 0.7041078349294826
Energy: 0.7037975208653161
Energy: 0.704107834930324
Energy: 0.7040269326554831
Energy: 0.789965672265087
Energy: 0.7020210857485851
Energy: 0.7899656722634042
Energy: 0.5826007153695625
Energy: 0.7129598702359848
Energy: 0.8414053141822699
Energy: 0.7129598702359848
Energy: 0.8187978645150509
Energy: 0.7065446891770101
Energy: 0.8724933363060501
Energy: 0.7065446891761686
Energy: 0.638601075440859
Energy: 0.5753622320651977
Energy: 0.8732577945665358
Energy: 0.5753622320651977
Energy: 0.6309843135662041
Energy: 0.5758121539263834
Energy: 0.8255449193934883
Energy: 0.5758121539272248
Energy: 0.5755367296003004
Energy: 0.7874302675016327
Energy: 0.8028556591036805
Energy: 0.7874302675016327
Energy: 0.9085141435337786
Energy: 0.8094219338837533
Energy: 0.8060879793565081
Energy: 0.8094219338829117
Energy: 0.6860563624171128
Energy: 0.6859088822179257
Energy: 0.5746807069730256
Energy: 0.6859088822170842
Energy: 0.8580826113498229
Energy: 0.7052988100962377
Energy: 0.5753598958085656
Energy: 0.7052988100970792
Energy: 0.796126316342709
Energy: 0.5771800377348417
Energy: 0.6695275590384782
Energy: 0.5771800377340003
Energy: 0.7928041142819514
Energy: 0.7090731183384336
Energy: 0.7575141500706245
Energy: 0.7090731183375922
Energy: 0.8579718485501542
Energy: 0.7127708467913446
Energy: 0.7032974536194924
Energy: 0.7127708467913446
Energy: 0.5831578465105792
Energy: 0.7927864879236716
Energy: 0.7036696978712388
Energy: 0.792786487924513
Energy: 0.5826029391077276
Energy: 0.7129203590413817
Energy: 0.8422782570680577
Energy: 0.7129203590430646
Energy: 0.8361449547654282
Energy: 0.7085068423750053
Energy: 0.8782639382014782
Energy: 0.7085068423758466
Energy: 0.6379650861730255
Energy: 0.574881283076571
Energy: 0.8578364202252462
Energy: 0.5748812830757296
Energy: 0.6307233284816867
Energy: 0.6936629537623515
Energy: 0.8463988021238548
Energy: 0.6936629537606687
Energy: 0.8546890659804998
Energy: 0.8765590491341541
Energy: 0.8030224409998813
Energy: 0.8765590491333126
Energy: 0.6943302588977154
Energy: 0.8360795618573331
Energy: 0.8526007983761116
Energy: 0.8360795618581746
Energy: 0.6892387621027128
Energy: 0.6863677447073434
Energy: 0.5751289811211846
Energy: 0.6863677447073434
Energy: 0.8579868721780098
Energy: 0.57578532013711
Energy: 0.5748220084512956
Energy: 0.5757853201362687
Energy: 0.7927141014670082
Energy: 0.5761031225962536
Energy: 0.669674453438407
Energy: 0.5761031225962536

minimum gb energy = 0.5746807069730256 eV
minimum distance =  2.42517512948314 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.8352510905984838
Energy: 0.9865401335348989
Energy: 1.0009019105300005
Energy: 0.9865401335348989
Energy: 0.8724589243616904
Energy: 0.6657950579291418
Energy: 0.6555975159599652
Energy: 0.6657950579286217
Energy: 0.7243713103517142
Energy: 0.7642854576698364
Energy: 0.6540088222239677
Energy: 0.7642854576703564
Energy: 0.7241592312956789
Energy: 0.7717157125315721
Energy: 0.8443772646002939
Energy: 0.7717157125326123
Energy: 0.821943971301389
Energy: 0.7746591604939606
Energy: 0.7730879634625447
Energy: 0.7746591604950007
Energy: 0.58903875836752
Energy: 0.5727802552206318
Energy: 0.8806994565545
Energy: 0.5727802552206318
Energy: 0.5644092887031253
Energy: 0.5679791504499277
Energy: 0.8438679529600169
Energy: 0.5679791504494077
Energy: 0.5663772169295762
Energy: 0.7273707765451591
Energy: 0.8359204169429871
Energy: 0.7273707765461993
Energy: 0.8825651764328318
Energy: 0.7764851766429196
Energy: 0.9126197349749707
Energy: 0.7764851766413593
Energy: 0.638206704219961
Energy: 0.7548378178025614
Energy: 0.701399270913659
Energy: 0.7548378178030815
Energy: 0.8493718060830845
Energy: 0.7906627786636553
Energy: 0.5800374542110138
Energy: 0.7906627786652156
Energy: 0.8794696928747903
Energy: 0.665858080027983
Energy: 0.7784339585833387
Energy: 0.665858080027983
Energy: 0.8791611859517109
Energy: 0.665557955171119
Energy: 0.6287300314927122
Energy: 0.6655579551716391
Energy: 0.8602083057856911
Energy: 0.5774240140798147
Energy: 0.5738359839189665
Energy: 0.5774240140798147
Energy: 0.69934478101969
Energy: 0.7256417583607156
Energy: 0.5747035971542326
Energy: 0.7256417583586354
Energy: 0.8395418228890303
Energy: 0.8199136457547785
Energy: 0.868869072934174
Energy: 0.8199136457542584
Energy: 0.5743890215452861
Energy: 0.8246233686911842
Energy: 0.7683787681256894
Energy: 0.8246233686901442
Energy: 0.5740068638285848
Energy: 0.6739611964398474
Energy: 0.8814591276282395
Energy: 0.6739611964398474
Energy: 0.5742455708597941
Energy: 0.5815090849200159
Energy: 0.9078181262548553
Energy: 0.5815090849194957
Energy: 0.8276418537441304
Energy: 0.5796926468514153
Energy: 0.8306609769647427
Energy: 0.5796926468514153
Energy: 0.6552120597863065
Energy: 0.6657235850203826
Energy: 0.8763949369646299
Energy: 0.6657235850209026
Energy: 0.6546466176629686
Energy: 0.7598793519227347
Energy: 0.7239779915960064
Energy: 0.7598793519232547
Energy: 0.8614528473061355
Energy: 0.7661292256109484
Energy: 0.7239300432801646
Energy: 0.7661292256125087
Energy: 0.7634482954422498
Energy: 0.7743474190485555
Energy: 0.8417191771213158
Energy: 0.7743474190501157
Energy: 0.8702118789419073
Energy: 0.5724832668745923
Energy: 0.5992539016497087
Energy: 0.5724832668740721
Energy: 0.8452541030549496
Energy: 0.569774265618671
Energy: 0.5657875860599147
Energy: 0.569774265619191
Energy: 0.835764875934508
Energy: 0.7279047992755819
Energy: 0.5880332191369234
Energy: 0.7279047992750617
Energy: 0.9128129450442282
Energy: 0.7770465873081746
Energy: 0.8310935860019536
Energy: 0.7770465873081746
Energy: 0.6996690278226797
Energy: 0.7565791681943433
Energy: 0.6392025688990437
Energy: 0.7565791681912227
Energy: 0.580942739141187
Energy: 0.7310074756348676
Energy: 0.8618256529936884
Energy: 0.7310074756343474
Energy: 0.7429884808187042
Energy: 0.6658740168397655
Energy: 0.8828829855581676
Energy: 0.6658740168397655
Energy: 0.6283106173992415
Energy: 0.664506091954323
Energy: 0.8767172695657026
Energy: 0.664506091954323
Energy: 0.5728587592622267
Energy: 0.5755604592901618
Energy: 0.8596043695153004
Energy: 0.5755604592896416
Energy: 0.5745062645289092
Energy: 0.7429360071827201
Energy: 0.6966385686392823
Energy: 0.7429360071832402
Energy: 0.8993081974212424
Energy: 0.8199745121030888
Energy: 0.8386680107666262
Energy: 0.8199745121036088
Energy: 0.7671902080917815
Energy: 0.7420107169432266
Energy: 0.5741165390095166
Energy: 0.7420107169427065
Energy: 0.8436437486089192
Energy: 0.6545098663091353
Energy: 0.5730478010159588
Energy: 0.654509866307055
Energy: 0.9103513826285154
Energy: 0.5807367858610196
Energy: 0.5740502175366687
Energy: 0.5807367858594593

minimum gb energy = 0.5644092887031253 eV
minimum distance =  2.42003686710398 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.8625865736504901
Energy: 0.6071222339721124
Energy: 0.9605412979874238
Energy: 0.6071222339721124
Energy: 0.850011263401446
Energy: 0.6660613468460777
Energy: 0.6925761563456933
Energy: 0.6660613468460777
Energy: 0.510621042229014
Energy: 0.6677338493121362
Energy: 0.6996721769969372
Energy: 0.6677338493121362
Energy: 0.5104835816510118
Energy: 0.6667479489298579
Energy: 0.8599733611541709
Energy: 0.6667479489298579
Energy: 0.6903405006597495
Energy: 0.667525497639433
Energy: 0.675182746608811
Energy: 0.667525497639433
Energy: 0.5236218348414851
Energy: 0.5824959614650932
Energy: 0.6752310811868649
Energy: 0.5824959614650932
Energy: 0.5234821541502191
Energy: 0.5226575493061681
Energy: 0.8615707672345958
Energy: 0.5226575493061681
Energy: 0.523900974387208
Energy: 0.523263344431566
Energy: 0.8490223398830717
Energy: 0.523263344431566
Energy: 0.6920691353430503
Energy: 0.6677951037560028
Energy: 0.8387732305947865
Energy: 0.6677951037560028
Energy: 0.6956032058929986
Energy: 0.5831674472876698
Energy: 0.701577688353451
Energy: 0.5831674472876698
Energy: 0.6916946658545949
Energy: 0.6654988279172991
Energy: 0.510186883315948
Energy: 0.6654988279172991
Energy: 0.6751436936442177
Energy: 0.6677547403545209
Energy: 0.7009141500153976
Energy: 0.6677547403545209
Energy: 0.6755995920872722
Energy: 0.6668112036822968
Energy: 0.522907943078596
Energy: 0.666811203680936
Energy: 0.8601579952521329
Energy: 0.5230264696643145
Energy: 0.5220855781768362
Energy: 0.5230264696643145
Energy: 0.8445619019317541
Energy: 0.5232321640192874
Energy: 0.5244467748380583
Energy: 0.5232321640192874

minimum gb energy = 0.510186883315948 eV
minimum distance =  2.4605543601589 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.7722558199647818
Energy: 0.9632816933731952
Energy: 0.9776746692653728
Energy: 0.9632816933743359
Energy: 0.8547807631010528
Energy: 0.6161950242584857
Energy: 0.646546835177639
Energy: 0.6161950242584857
Energy: 0.8035011943410761
Energy: 0.6964012049744979
Energy: 0.5818567787748457
Energy: 0.6964012049767793
Energy: 0.6252711062953802
Energy: 0.7602478280121188
Energy: 0.8656356049056688
Energy: 0.760247828010978
Energy: 0.8513958817981756
Energy: 0.7662400561906112
Energy: 0.7404408899599159
Energy: 0.7662400561894704
Energy: 0.6148635709655086
Energy: 0.7304209439829085
Energy: 0.7427893669396729
Energy: 0.73042094398519
Energy: 0.6159301210986904
Energy: 0.6148609177013347
Energy: 0.8736258763849277
Energy: 0.6148609176996235
Energy: 0.6324165614384721
Energy: 0.6154749832871734
Energy: 0.8476563562228897
Energy: 0.6154749832860328
Energy: 0.5633747560925706
Energy: 0.6157716321285246
Energy: 0.9088465820692826
Energy: 0.6157716321296653
Energy: 0.534733815236567
Energy: 0.5359129395758537
Energy: 0.86902971360498
Energy: 0.5359129395781352
Energy: 0.5328619249120672
Energy: 0.5353071860814669
Energy: 0.7706348276627069
Energy: 0.5353071860848891
Energy: 0.7598103619614265
Energy: 0.7244692245192944
Energy: 0.8690458905341449
Energy: 0.7244692245204352
Energy: 0.7443715150675317
Energy: 0.7513772029020107
Energy: 0.7597642033580183
Energy: 0.7513772029002996
Energy: 0.8452910496651942
Energy: 0.7294287875609229
Energy: 0.6277801422967426
Energy: 0.7294287875592118
Energy: 0.8350817854015467
Energy: 0.7262350381672575
Energy: 0.7445648640908997
Energy: 0.7262350381683984
Energy: 0.8320068314928704
Energy: 0.617561495984367
Energy: 0.5349780458761969
Energy: 0.617561495984367
Energy: 0.874010063097213
Energy: 0.5384977758018651
Energy: 0.5343315150431842
Energy: 0.5384977758030057
Energy: 0.7599352275491678
Energy: 0.6153281403509993
Energy: 0.535438867778887
Energy: 0.6153281403509993
Energy: 0.8737389868702046
Energy: 0.615816378963714
Energy: 0.6495186558729981
Energy: 0.6158163789654251
Energy: 0.8409644402490593
Energy: 0.6207016647039845
Energy: 0.582021446870452
Energy: 0.6207016647056955
Energy: 0.6257691502879309
Energy: 0.6222308170489309
Energy: 0.6425946576627583
Energy: 0.6222308170489309
Energy: 0.849092283046526
Energy: 0.7587554426624958
Energy: 0.7430671152189189
Energy: 0.7587554426630663
Energy: 0.6149130429834248
Energy: 0.7129753476770948
Energy: 0.6948884564058755
Energy: 0.7129753476770948
Energy: 0.5328560465666546
Energy: 0.6187140853564864
Energy: 0.8721199768244902
Energy: 0.6187140853598827
Energy: 0.6343424135522291
Energy: 0.6152732906628661
Energy: 0.8338102629093763
Energy: 0.6152732906622956
Energy: 0.5652618794379275
Energy: 0.615756874575693
Energy: 0.8306461830564632
Energy: 0.6157568745751226
Energy: 0.533067872197923
Energy: 0.535145051579735
Energy: 0.8700580335991124
Energy: 0.5351450515803055
Energy: 0.5337172101218793
Energy: 0.6886163787772357
Energy: 0.764086122302913
Energy: 0.6886163787760949
Energy: 0.7416292243303786
Energy: 0.7237000300419667
Energy: 0.8769110053183639
Energy: 0.723700030040826
Energy: 0.5807436166192674
Energy: 0.7165593915237193
Energy: 0.7617440058160517
Energy: 0.7165593915242896
Energy: 0.7471290512881563
Energy: 0.7163494255395545
Energy: 0.6284560892937626
Energy: 0.7163494255395545
Energy: 0.84768787690957
Energy: 0.7237886285006738
Energy: 0.7453207421055479
Energy: 0.7237886285029553
Energy: 0.8351840390697759
Energy: 0.7239229768245282
Energy: 0.560106604211463
Energy: 0.7239229768250987
Energy: 0.8720255023307346
Energy: 0.6317066529265452
Energy: 0.5330987015172229
Energy: 0.6317066529282562
Energy: 0.8760141011514933
Energy: 0.6156245708295666
Energy: 0.5363350376427575
Energy: 0.6156245708307072

minimum gb energy = 0.5328560465666546 eV
minimum distance =  2.44228690466236 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.6718942529951641
Energy: 0.6087599184077759
Energy: 0.9425499479483298
Energy: 0.6087599184077759
Energy: 0.8806825273401404
Energy: 0.6201590298354867
Energy: 0.6380845551424229
Energy: 0.6201590298354867
Energy: 0.7588972013846358
Energy: 0.70556281050173
Energy: 0.5903360949443461
Energy: 0.70556281050173
Energy: 0.6687891752330579
Energy: 0.7129957301366691
Energy: 0.8333830249421367
Energy: 0.7129957301366691
Energy: 0.8335080208211183
Energy: 0.7141132330906473
Energy: 0.5808546142188216
Energy: 0.7141132330916286
Energy: 0.49860185950648683
Energy: 0.6213913104668386
Energy: 0.7097915294607946
Energy: 0.6213913104668386
Energy: 0.49905140138231396
Energy: 0.6203533723353714
Energy: 0.9033199563737168
Energy: 0.62035337233439
Energy: 0.64709355005679
Energy: 0.6251040004399996
Energy: 0.8096008042442145
Energy: 0.6251040004399996
Energy: 0.5094209011825097
Energy: 0.6198638826367338
Energy: 0.8102123711001755
Energy: 0.6198638826367338
Energy: 0.5090771473125475
Energy: 0.5088050081950961
Energy: 0.8806825272979671
Energy: 0.5088050081950961
Energy: 0.9425499479473486
Energy: 0.6087599184077759
Energy: 0.6718942529951641
Energy: 0.6087599184067946
Energy: 0.6380845551434042
Energy: 0.620159029836468
Energy: 0.8806825273401404
Energy: 0.6201590298354867
Energy: 0.5903360949453276
Energy: 0.7055628105007486
Energy: 0.7588972013846358
Energy: 0.70556281050173
Energy: 0.8333830249421367
Energy: 0.7129957301366691
Energy: 0.6687891752330579
Energy: 0.7129957301366691
Energy: 0.5808546142198028
Energy: 0.7141132330916286
Energy: 0.8335080208211183
Energy: 0.7141132330906473
Energy: 0.7097915294607946
Energy: 0.6213913104668386
Energy: 0.49860185950648683
Energy: 0.6213913104668386
Energy: 0.9033199563737168
Energy: 0.6203533723353714
Energy: 0.49905140138231396
Energy: 0.6203533723353714
Energy: 0.8096008042442145
Energy: 0.6251040004399996
Energy: 0.6470935500587526
Energy: 0.6251040004399996
Energy: 0.8102123711001755
Energy: 0.6198638826367338
Energy: 0.5094209011834909
Energy: 0.6198638826367338
Energy: 0.8806825272979671
Energy: 0.5088050081950961
Energy: 0.5090771473125475
Energy: 0.5088050081950961

minimum gb energy = 0.49860185950648683 eV
minimum distance =  2.461941825322 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.7909088973872602
Energy: 0.9178053217443813
Energy: 0.7573529020663845
Energy: 0.917805321743615
Energy: 0.8966825880195192
Energy: 0.5700871643153834
Energy: 0.5314637247784341
Energy: 0.5700871643153834
Energy: 0.7729638841325427
Energy: 0.6481554564976724
Energy: 0.5320628810052855
Energy: 0.6481554564976724
Energy: 0.5780587849073642
Energy: 0.6581832917879726
Energy: 0.7291143580361503
Energy: 0.6581832917879726
Energy: 0.8468586617951668
Energy: 0.6604933467254868
Energy: 0.7273301720720516
Energy: 0.6604933467254868
Energy: 0.6282351521836201
Energy: 0.6587261488866368
Energy: 0.7262629656754611
Energy: 0.6587261488858704
Energy: 0.5817386537849633
Energy: 0.6592458087984767
Energy: 0.8516079629046057
Energy: 0.6592458087977104
Energy: 0.7314286565200778
Energy: 0.6578929179425064
Energy: 0.676421696733626
Energy: 0.6578929179425064
Energy: 0.5810784628883691
Energy: 0.5759780471797519
Energy: 0.840841783107419
Energy: 0.5759780471805181
Energy: 0.5328661577359014
Energy: 0.56892513675789
Energy: 0.9202068024221672
Energy: 0.56892513675789
Energy: 0.7569958821403795
Energy: 0.9657161675075552
Energy: 0.6829669323416419
Energy: 0.9657161675067888
Energy: 0.4797465316028337
Energy: 0.5687285469771756
Energy: 0.9197091641333386
Energy: 0.5687285469764093
Energy: 0.47999403653666023
Energy: 0.47832848636046693
Energy: 0.8952616101111428
Energy: 0.47832848636046693
Energy: 0.5767948241143978
Energy: 0.5695985366554274
Energy: 0.7709150524239594
Energy: 0.5695985366577261
Energy: 0.5330638945085044
Energy: 0.5696551479090508
Energy: 0.9186221621144285
Energy: 0.5696551479082845
Energy: 0.531902972610794
Energy: 0.6478033135001268
Energy: 0.7719764853874653
Energy: 0.6478033135008929
Energy: 0.7294818234861042
Energy: 0.6582828297900967
Energy: 0.7714198517538527
Energy: 0.6582828297900967
Energy: 0.5255323520867733
Energy: 0.65997569387383
Energy: 0.8099008703381428
Energy: 0.65997569387383
Energy: 0.7317974850263758
Energy: 0.6621260562814186
Energy: 0.5816497237737167
Energy: 0.6621260562798862
Energy: 0.8474331761509705
Energy: 0.6605435333470732
Energy: 0.628410458873414
Energy: 0.6605435333478394
Energy: 0.6772545644218373
Energy: 0.5729627092422823
Energy: 0.5832653571845529
Energy: 0.5729627092422823
Energy: 0.8455630747804763
Energy: 0.5755759887284426
Energy: 0.4727867906375033
Energy: 0.5755759887284426
Energy: 0.8318623647504849
Energy: 0.5696174733575537
Energy: 0.5316430098906952
Energy: 0.5696174733575537
Energy: 0.6725762831226955
Energy: 0.5698698817344251
Energy: 0.4801789725425238
Energy: 0.5698698817351915
Energy: 0.9184373806038456
Energy: 0.5694429103935967
Energy: 0.4799182587950351
Energy: 0.5694429103943629
Energy: 0.7686980923159284
Energy: 0.4782318439454084
Energy: 0.479787896227055
Energy: 0.4782318439454084

minimum gb energy = 0.4727867906375033 eV
minimum distance =  2.47268225128294 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.8501696809702627
Energy: 0.9219084722572901
Energy: 0.7346290413523067
Energy: 0.9219084722579182
Energy: 0.915547260350495
Energy: 0.5278730346663488
Energy: 0.4896540955530529
Energy: 0.5278730346669771
Energy: 0.7975796232202972
Energy: 0.5979026336785761
Energy: 0.48921292295601315
Energy: 0.5979026336798324
Energy: 0.6652870461393792
Energy: 0.6091126731818534
Energy: 0.6525800027095789
Energy: 0.6091126731818534
Energy: 0.9054538538034337
Energy: 0.6139350123244108
Energy: 0.6140955411728869
Energy: 0.6139350123244108
Energy: 0.6928850462000203
Energy: 0.6184466581267084
Energy: 0.6525923829197454
Energy: 0.6184466581273367
Energy: 0.682855959866131
Energy: 0.6222149880775414
Energy: 0.7475004447661855
Energy: 0.6222149880781697
Energy: 0.8313555038387735
Energy: 0.6215952343263399
Energy: 0.5960571364192938
Energy: 0.6215952343257117
Energy: 0.5254266440421791
Energy: 0.6073693179411545
Energy: 0.7478557403314933
Energy: 0.6073693179411545
Energy: 0.5259076093211197
Energy: 0.6121425356786702
Energy: 0.8639861812329154
Energy: 0.6121425356786702
Energy: 0.488246380946453
Energy: 0.8876139323740773
Energy: 0.7549918437674918
Energy: 0.8876139323740773
Energy: 0.48894770384041697
Energy: 0.5282753422199729
Energy: 0.8632948153016855
Energy: 0.528275342220601
Energy: 0.48913743999076964
Energy: 0.528046039575775
Energy: 0.857536412448909
Energy: 0.5280460395751468
Energy: 0.4507910473425525
Energy: 0.5265818390975432
Energy: 0.7508854222033
Energy: 0.5265818390975432
Energy: 0.45011945900596084
Energy: 0.5247388221481087
Energy: 0.9278749075732712
Energy: 0.5247388221481087
Energy: 0.4507652792152698
Energy: 0.4495195674954124
Energy: 0.7948814303868902
Energy: 0.4495195674960406
Energy: 0.5286450794472605
Energy: 0.5304259628314424
Energy: 0.7919942172457403
Energy: 0.5304259628326989
Energy: 0.49100834188506987
Energy: 0.5266164561469933
Energy: 0.8640126942193488
Energy: 0.5266164561476214
Energy: 0.4902644288199899
Energy: 0.5982430502213835
Energy: 0.6676370546441285
Energy: 0.5982430502220116
Energy: 0.6533206897668035
Energy: 0.6100004971189833
Energy: 0.6801732240825208
Energy: 0.6100004971183552
Energy: 0.6026601416946888
Energy: 0.6243383087163347
Energy: 0.8460460277358008
Energy: 0.6243383087157066
Energy: 0.6529790812299849
Energy: 0.6171845166709398
Energy: 0.6702127245051427
Energy: 0.6171845166709398
Energy: 0.7521450279452738
Energy: 0.6210970374784707
Energy: 0.6947865086347833
Energy: 0.6210970374784707
Energy: 0.5959009441134244
Energy: 0.6074107976855709
Energy: 0.613076073259687
Energy: 0.6074107976849428
Energy: 0.74868804236187
Energy: 0.623727299687551
Energy: 0.5262543580369465
Energy: 0.623727299687551
Energy: 0.744211262143824
Energy: 0.6097034082301709
Energy: 0.6532352962747947
Energy: 0.6097034082301709
Energy: 0.7434306829464039
Energy: 0.6100447984443222
Energy: 0.48937730134183627
Energy: 0.6100447984430659
Energy: 0.8690980815959393
Energy: 0.5272969701964297
Energy: 0.48688809156448415
Energy: 0.5272969701951734
Energy: 0.7477655444402579
Energy: 0.5301787165778763
Energy: 0.48988932992123363
Energy: 0.5301787165778763
Energy: 0.7314653973445759
Energy: 0.5275697100129209
Energy: 0.45081886494015816
Energy: 0.527569710013549
Energy: 0.8677539570793137
Energy: 0.4505408208694085
Energy: 0.45014576863200606
Energy: 0.4505408208694085
Energy: 0.8303473375597403
Energy: 0.529999653421815
Energy: 0.4511487922834202
Energy: 0.5299996534230713

minimum gb energy = 0.4495195674954124 eV
minimum distance =  2.46323172407369 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.7425993366817215
Energy: 0.9286824080031924
Energy: 0.7168386778485599
Energy: 0.928682408002128
Energy: 0.9273439393365679
Energy: 0.49167962365128265
Energy: 0.45488100182979113
Energy: 0.49167962365128265
Energy: 0.8216568405803316
Energy: 0.5550941260104019
Energy: 0.454827686422439
Energy: 0.5550941260109341
Energy: 0.7324397265855424
Energy: 0.5672883106298329
Energy: 0.56173510499784
Energy: 0.5672883106293005
Energy: 0.907479274404856
Energy: 0.5706779458594198
Energy: 0.545004702083877
Energy: 0.5706779458610164
Energy: 0.719820456799142
Energy: 0.5790328601687981
Energy: 0.5598875955863502
Energy: 0.5790328601698624
Energy: 0.5962024520764112
Energy: 0.5839960754457127
Energy: 0.6766028527120169
Energy: 0.5839960754446483
Energy: 0.9120682836147834
Energy: 0.5845389665350449
Energy: 0.5400910183367185
Energy: 0.5845389665339805
Energy: 0.6158226848652314
Energy: 0.5784049378578002
Energy: 0.6763277293614871
Energy: 0.5784049378583326
Energy: 0.6304108653480279
Energy: 0.586572574310346
Energy: 0.776975839997866
Energy: 0.586572574310346
Energy: 0.5424393829793177
Energy: 0.5659584599123471
Energy: 0.6701614130068254
Energy: 0.5659584599144758
Energy: 0.4867636446814427
Energy: 0.5756678265938272
Energy: 0.7717500190013515
Energy: 0.5756678265938272
Energy: 0.5590847599676303
Energy: 0.5684358895581118
Energy: 0.7697201214660698
Energy: 0.5684358895597084
Energy: 0.45415471189239526
Energy: 0.4942146996256196
Energy: 0.6620220803708073
Energy: 0.4942146996272161
Energy: 0.45483945240011275
Energy: 0.4915783733033556
Energy: 0.88264261309381
Energy: 0.4915783733033556
Energy: 0.456195293601644
Energy: 0.49393441911469216
Energy: 0.7688673625781257
Energy: 0.49393441911309566
Energy: 0.4249670161561427
Energy: 0.49499701996360795
Energy: 0.7762148091663355
Energy: 0.4949970199646723
Energy: 0.4255208687995359
Energy: 0.4244636148713719
Energy: 0.9386441015611713
Energy: 0.4244636148713719
Energy: 0.42582334119008425
Energy: 0.494567995253101
Energy: 0.7265287012671819
Energy: 0.49456799525256884
Energy: 0.4571117620258446
Energy: 0.4942683709624718
Energy: 0.8250191387130391
Energy: 0.4942683709630039
Energy: 0.4560214780399564
Energy: 0.49113190645680654
Energy: 0.8790233657328141
Energy: 0.49113190645680654
Energy: 0.45720555865883916
Energy: 0.5554902716389737
Energy: 0.7301119554684317
Energy: 0.5554902716379093
Energy: 0.559709214263461
Energy: 0.5682507447792582
Energy: 0.7171535350768136
Energy: 0.5682507447797903
Energy: 0.5428822992450751
Energy: 0.5678849581133577
Energy: 0.7732654610816155
Energy: 0.5678849581144222
Energy: 0.5439114758078402
Energy: 0.5667795063085237
Energy: 0.5959549857725758
Energy: 0.5667795063085237
Energy: 0.6776216488619992
Energy: 0.5861660337783543
Energy: 0.7712326571011804
Energy: 0.5861660337794187
Energy: 0.5392033721121547
Energy: 0.5769406955642092
Energy: 0.6769671945406374
Energy: 0.5769406955642092
Energy: 0.8873038346339068
Energy: 0.5854353399721577
Energy: 0.5979872027555737
Energy: 0.5854353399710934
Energy: 0.6795483484633055
Energy: 0.5842675437213904
Energy: 0.6773655935393552
Energy: 0.5842675437219226
Energy: 0.6744962423580846
Energy: 0.5680713481335282
Energy: 0.5596160238406236
Energy: 0.568071348132464
Energy: 0.9114053564415617
Energy: 0.5742352550535967
Energy: 0.4869625295158021
Energy: 0.5742352550525324
Energy: 0.6615343729033963
Energy: 0.5677872690165315
Energy: 0.560849545424244
Energy: 0.5677872690154673
Energy: 0.7699930703804807
Energy: 0.49349760261072056
Energy: 0.4572503624515855
Energy: 0.49349760261231707
Energy: 0.908636470572848
Energy: 0.4908177497978344
Energy: 0.4564084258340567
Energy: 0.4908177497973022
Energy: 0.8187736553004007
Energy: 0.4316258270912926
Energy: 0.4567893030009136
Energy: 0.4316258270907604
Energy: 0.8737423356363013
Energy: 0.4918799426484037
Energy: 0.42516164273756524
Energy: 0.4918799426478715
Energy: 0.8178085128147767
Energy: 0.4278172692153196
Energy: 0.4261592567805634
Energy: 0.4278172692169162

minimum gb energy = 0.4244636148713719 eV
minimum distance =  2.49238883962929 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.8273301048125024
Energy: 0.9280647863178286
Energy: 0.39434177261452413
Energy: 0.9280647863173671
Energy: 0.9360335633177227
Energy: 0.4516447411047975
Energy: 0.4199574002858535
Energy: 0.4516447411052591
Energy: 0.7594457170845909
Energy: 0.4816621376349107
Energy: 0.4197092864125413
Energy: 0.4816621376344492
Energy: 0.6733996606292671
Energy: 0.5212779395038032
Energy: 0.5113778263526763
Energy: 0.5212779395033416
Energy: 0.8744087441599044
Energy: 0.5206313884665811
Energy: 0.49377121182631484
Energy: 0.5206313884665811
Energy: 0.6706495101004413
Energy: 0.5280053548428465
Energy: 0.4929530984891453
Energy: 0.5280053548437698
Energy: 0.6760740208386131
Energy: 0.5408071974885389
Energy: 0.613433975917262
Energy: 0.5408071974885389
Energy: 0.8964882778196752
Energy: 0.5408050017320768
Energy: 0.5117484575800518
Energy: 0.5408050017316152
Energy: 0.6740331011911614
Energy: 0.5407662392988986
Energy: 0.6059107943427923
Energy: 0.5407662392993601
Energy: 0.673092440523379
Energy: 0.5571844242819695
Energy: 0.6982738367317922
Energy: 0.557184424282431
Energy: 0.5952326850541525
Energy: 0.5378471185437439
Energy: 0.6212345076309954
Energy: 0.5378471185437439
Energy: 0.5654739992483909
Energy: 0.5374277313864169
Energy: 0.6985508311655443
Energy: 0.5374277313859553
Energy: 0.6163215254641159
Energy: 0.5397892999558427
Energy: 0.7153002850389862
Energy: 0.5397892999539965
Energy: 0.4993717020149215
Energy: 0.5367350021146347
Energy: 0.6164039757452648
Energy: 0.5367350021150962
Energy: 0.4662216466802872
Energy: 0.5244895714583522
Energy: 0.7903741451897641
Energy: 0.5244895714583522
Energy: 0.49949549279327976
Energy: 0.5193029849650121
Energy: 0.726007791954986
Energy: 0.5193029849650121
Energy: 0.43976669326434914
Energy: 0.513328547213192
Energy: 0.7334759351981468
Energy: 0.5133285472127304
Energy: 0.42737749815856974
Energy: 0.43477894620886975
Energy: 0.925693532016666
Energy: 0.43477894620794666
Energy: 0.4401670472152891
Energy: 0.43415389822418227
Energy: 0.8045206995868763
Energy: 0.43415389822418227
Energy: 0.40678012412202535
Energy: 0.4248329430358943
Energy: 0.804409166893373
Energy: 0.4248329430354328
Energy: 0.4034694561287445
Energy: 0.41993529623928577
Energy: 0.943051446553948
Energy: 0.4199352962379011
Energy: 0.4039083770123816
Energy: 0.502235278300894
Energy: 0.7605105179497851
Energy: 0.5022352783004325
Energy: 0.43053776848236425
Energy: 0.47478511122985695
Energy: 0.8296281990955499
Energy: 0.4747851112284723
Energy: 0.43145120424509864
Energy: 0.48235304921569955
Energy: 0.8407646671659298
Energy: 0.4823530492166227
Energy: 0.43163122830205747
Energy: 0.5003913817741874
Energy: 0.6728285228269363
Energy: 0.5003913817732643
Energy: 0.5285372053158749
Energy: 0.5045256815158101
Energy: 0.8579024265827151
Energy: 0.5045256815162718
Energy: 0.5020630386714477
Energy: 0.5050712732373688
Energy: 0.7637710026650233
Energy: 0.505071273235984
Energy: 0.6162983440140813
Energy: 0.5386153161358542
Energy: 0.6777614638286068
Energy: 0.5386153161367773
Energy: 0.6023905606640099
Energy: 0.5390493588826666
Energy: 0.7910164169905548
Energy: 0.5390493588835897
Energy: 0.6026705582427273
Energy: 0.5380392540122103
Energy: 0.6724411879263864
Energy: 0.5380392540126719
Energy: 0.7005735410526238
Energy: 0.545289204825533
Energy: 0.5616610797520658
Energy: 0.5452892048250715
Energy: 0.6203002527042983
Energy: 0.5451098837679245
Energy: 0.6980034516622168
Energy: 0.5451098837679245
Energy: 0.7006380624334069
Energy: 0.5379211655188307
Energy: 0.5731261376628883
Energy: 0.5379211655183901
Energy: 0.7924235373327749
Energy: 0.5403086720484043
Energy: 0.5840352136814778
Energy: 0.540308672047481
Energy: 0.6163110585954199
Energy: 0.5395010966158812
Energy: 0.6135181331228865
Energy: 0.5395010966154196
Energy: 0.7929979773590995
Energy: 0.5217516354734407
Energy: 0.5020554705506546
Energy: 0.5217516354743638
Energy: 0.8088120256371932
Energy: 0.5210480097334946
Energy: 0.5111742832485026
Energy: 0.5210480097330542
Energy: 0.7329567335475103
Energy: 0.4700946309647741
Energy: 0.4204314778950768
Energy: 0.47009463096523574
Energy: 0.8885605176869762
Energy: 0.4543334404023792
Energy: 0.4212637925564333
Energy: 0.454333440401456
Energy: 0.8046308791143212
Energy: 0.4516588902016373
Energy: 0.42077914008979506
Energy: 0.4516588902016373
Energy: 0.7304355549702891
Energy: 0.45193455808957805
Energy: 0.39501844045777845
Energy: 0.451934558088655
Energy: 0.9388793797148145
Energy: 0.39520241886021196
Energy: 0.3946197546285682
Energy: 0.39520241886021196
Energy: 0.7713936704937467
Energy: 0.45192178699404134
Energy: 0.3951373418500681
Energy: 0.4519217869935797

minimum gb energy = 0.39434177261452413 eV
minimum distance =  2.44945769249002 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011765190309679367
Energy: 0.013409481986502613
Energy: 0.7489279199416935
Energy: 0.01340948198614779
Energy: 0.012442255331232284
Energy: 0.08390702982565205
Energy: 0.42652964326290355
Energy: 0.08390702982565205
Energy: 0.012355004040218555
Energy: 0.08399370682094849
Energy: 0.4205285312611217
Energy: 0.08399370682059366
Energy: 0.01198437163982216
Energy: 0.08395131969357979
Energy: 0.41859889299676195
Energy: 0.08395131969357979
Energy: 0.42167245826839495
Energy: 0.08388816063346258
Energy: 0.42269097120622656
Energy: 0.08388816063379768
Energy: 0.012062836907294575
Energy: 0.08393165565771783
Energy: 0.42079098408519006
Energy: 0.08393165565807266

minimum gb energy = 0.011765190309679367 eV
minimum distance =  2.82549534684472 Angstroms
sigma value = 1