Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.592786550521851
cohesive_energy=3.511869165642938
mass=63.546
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=[1.592944892234892e-19, 2.26055907820962e-19, 2.7716854679883e-19, 3.19656668955876e-19, 3.54526441218252e-19, 3.8421958077617396e-19, 4.0982877209402994e-19, 4.3207659683375397e-19, 4.51483762401396e-19, 4.68442802072286e-19, 4.83274151173224e-19, 4.96261394968428e-19, 5.077938623799599e-19, 5.18457950055864e-19, 5.28330562474572e-19, 5.36692322327418e-19, 5.434583142528e-19, 5.4893775834108e-19, 5.533517549677499e-19, 5.56822069556994e-19, 5.59427208763878e-19, 5.61229657477128e-19, 5.62279083172398e-19, 5.626187446188059e-19, 5.62255050522888e-19, 5.61079052873532e-19, 5.58960975363384e-19, 5.55735793799142e-19, 5.5123207528096795e-19, 5.4527678473239e-19, 5.3773053278625e-19, 5.2834978859418e-19, 5.164888749726779e-19, 5.0143322114298e-19, 4.82654108815866e-19, 4.5952829128070995e-19, 4.31208217098126e-19, 3.9661081486352996e-19, 3.544014714408e-19, 3.0323596063401e-19, 2.41866186845274e-19, 1.65862131681582e-19, 7.06686467548086e-20, -4.8081801439330196e-20, -1.9677773201124597e-19, -3.8430770049104396e-19, -6.25066783282224e-19, -9.3399687967347e-19, -1.337125349084112e-18, -1.88132386894182e-18, -2.62160958268152e-18, -3.643285578650639e-18, -5.07420555224238e-18, -6.9910176336273e-18]
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: -1.33896745442359e-24 eV

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

Energy: 0.015513084072448155
Energy: 0.02034659298811737
Energy: 0.12010011364391965
Energy: 0.11949771718482753
Energy: 0.01984904939528281
Energy: 0.01688566236671322
Energy: 0.1187990850475312
Energy: 0.12063895692523571
Energy: 0.11883208711065792
Energy: 0.018957699162441728
Energy: 0.016247405486873763
Energy: 0.1178217642403824
Energy: 0.11908773310675369
Energy: 0.12024854869791166
Energy: 0.12028420546746973
Energy: 0.11842818316797454
Energy: 0.11775725550617377
Energy: 0.1188590921673385
Energy: 0.11987663799002565
Energy: 0.1202088036708837
Energy: 0.12068152633365072
Energy: 0.016004507022323557
Energy: 0.015919913839589853
Energy: 0.11839790793561616
Energy: 0.11917779803259707
Energy: 0.12023252994629062
Energy: 0.018679586368451694
Energy: 0.015944350987462507
Energy: 0.11798024159031228
Energy: 0.12021118100730378
Energy: 0.11934140032721191
Energy: 0.016710467220855032
Energy: 0.01692281914487242
Energy: 0.1175947880008105
Energy: 0.11792901769995744
Energy: 0.11992708867841866
Energy: 0.017614402853856348
Energy: 0.01627660693858861
Energy: 0.11763328758728166
Energy: 0.11807561699975794
Energy: 0.11889473416855303
Energy: 0.11870376755730407
Energy: 0.12095807581825134
Energy: 0.017507899273490966
Energy: 0.016149527183829095
Energy: 0.11878376681473359
Energy: 0.11931473506659258
Energy: 0.12087329519642254
Energy: 0.01848257897236494
Energy: 0.11768586919032548
Energy: 0.12075595073730888
Energy: 0.1187256317365896
Energy: 0.11930359608713334
Energy: 0.01681917731288615
Energy: 0.01620005474918204
Energy: 0.12135575804934556
Energy: 0.11786403017529731
Energy: 0.11988533053232905
Energy: 0.01741503539104556
Energy: 0.016231777246280745
Energy: 0.016089168069751206
Energy: 0.12139591923599317
Energy: 0.11923134407558997
Energy: 0.12035753413841048
Energy: 0.1218750797976697
Energy: 0.016240405814845992
Energy: 0.12176620294309584
Energy: 0.11884965927738006
Energy: 0.12112321921271599
Energy: 0.12122024270320732

minimum gb energy = 0.015513084072448155 eV
minimum distance =  2.50567709104365 Angstroms
sigma value = 3


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

Energy: 1.1495762843554116
Energy: 0.9697931150294912
Energy: 0.8539682762926145
Energy: 0.8537766938271587
Energy: 0.9685900230317191
Energy: 0.9668070837246193
Energy: 0.8519040813170236
Energy: 0.8550206838849894
Energy: 0.8541807564320826
Energy: 0.9663837402044118
Energy: 0.7210190217612558
Energy: 1.0381854952229157
Energy: 0.8522013299670783
Energy: 0.7486543098468073
Energy: 0.9263945948191556
Energy: 0.847718174651957
Energy: 0.9143960919179809
Energy: 0.8530373086543921
Energy: 0.747534741840658
Energy: 0.9268592137414933
Energy: 0.8544973997060955
Energy: 1.0347053607821177
Energy: 0.850659134218218
Energy: 0.8520418912991067
Energy: 0.9152501872098658
Energy: 0.8554331330421325
Energy: 0.8526239957489422
Energy: 0.8505901940967329
Energy: 0.8560616773293247
Energy: 0.9167148972292649
Energy: 0.8547612084217715
Energy: 0.8579209244743095
Energy: 1.1056633684793569
Energy: 0.8571043894000738
Energy: 0.915341959489697
Energy: 0.8559349330981532
Energy: 0.8558766678510502
Energy: 1.104504855101088
Energy: 0.8563496674042329
Energy: 0.9166431479475274
Energy: 1.1065993411793815
Energy: 0.9655583835623179
Energy: 0.9760811060445004
Energy: 0.9136727912870666
Energy: 0.8465526279105422
Energy: 1.1030245098553606
Energy: 0.9720839384415982
Energy: 0.9742440669157374
Energy: 1.0481235456008136
Energy: 0.8468311419553096
Energy: 0.9680851938992742
Energy: 0.9681563051821984
Energy: 0.9754937059208838
Energy: 0.8525617713505083
Energy: 1.0346712051874942
Energy: 0.9683777603131583
Energy: 0.9688676014984403
Energy: 0.975988774450226
Energy: 0.91344263656646
Energy: 1.0350411890178686
Energy: 0.8559879046771375
Energy: 0.9185072394432164
Energy: 1.0397517837521322
Energy: 0.9236317188913603
Energy: 0.8554998069064799
Energy: 0.8570630143459834
Energy: 0.919197794719065
Energy: 0.9758698991482536
Energy: 0.9253411327996905
Energy: 0.856959180177892
Energy: 0.8562070920163241
Energy: 0.8552502404343666
Energy: 0.9665960209394568
Energy: 0.7193745008092146
Energy: 0.8548048684602942
Energy: 0.8549141658763677
Energy: 0.8518448870116951
Energy: 0.9690650157718027
Energy: 1.0997518428670872
Energy: 0.8539610048929214
Energy: 0.9195238811767068
Energy: 0.7479284012830374
Energy: 0.8471383479507089
Energy: 1.1065661468210501
Energy: 0.8469691077835548
Energy: 0.920011596829714
Energy: 0.7480759875138638
Energy: 0.7290869864663811
Energy: 1.1048248401671137
Energy: 0.853977813274352
Energy: 1.0345247367095878
Energy: 0.8545281430097311
Energy: 0.8537365004995379
Energy: 0.8527652825471476
Energy: 1.0364756789629657
Energy: 0.8521484879838209
Energy: 0.8526106060311527
Energy: 0.8534466920700645
Energy: 0.8527634043573862
Energy: 0.8506698148416488
Energy: 1.0342061445273254
Energy: 0.852900215518106
Energy: 0.9127234391026086
Energy: 0.8552353068182825
Energy: 0.9576973327720225
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Energy: 0.852580273592367
Energy: 0.8542303508781899
Energy: 0.7496822260870911
Energy: 0.9117893279098189
Energy: 1.0346489317300236
Energy: 0.8524158376735516
Energy: 0.8504223846022186
Energy: 0.9171717488786578
Energy: 0.8467044378873131
Energy: 0.8568966577635452
Energy: 0.8493146901118654
Energy: 0.9152806340821484
Energy: 0.9154871933406037
Energy: 0.8469279952045528
Energy: 0.8563107054885423
Energy: 0.9146344541340855
Energy: 0.9742824927407097
Energy: 0.9705790748371071
Energy: 0.96855271962184
Energy: 0.8547409735858811
Energy: 0.9130761983533467
Energy: 0.9744739565828913
Energy: 0.9674838696772385
Energy: 0.9677379685119629
Energy: 0.8462104867912025
Energy: 0.9242756622875727
Energy: 0.9158561721014482
Energy: 0.8533674077917356
Energy: 1.1032929178440298
Energy: 0.8467230660393888
Energy: 0.9249486185590585
Energy: 0.914860124262539
Energy: 0.8544387165028583
Energy: 1.1033491039609449
Energy: 1.1507159840588328
Energy: 0.852160086767912
Energy: 0.8540239308375317
Energy: 0.8532274781926904
Energy: 0.9667933732475398
Energy: 0.967169803440484
Energy: 0.8523292776288647
Energy: 0.8528418525701525
Energy: 0.8539812855228717
Energy: 0.9670003794044655
Energy: 0.7216307451463078
Energy: 0.914555962962613
Energy: 0.8515896763243729
Energy: 0.9213199844904262
Energy: 0.929650296267256
Energy: 0.7219648079778181
Energy: 0.849253223145005
Energy: 0.8528518780912722
Energy: 0.7497143992980693
Energy: 0.9286871488083566
Energy: 0.8544466661347994
Energy: 0.8533380846593144
Energy: 0.8500958957976498
Energy: 0.8518411218439644
Energy: 0.9160276566361688
Energy: 0.8552195986017551
Energy: 0.8509431004580875
Energy: 0.8504957252566789
Energy: 0.8566391588268618
Energy: 0.917429800269223
Energy: 0.8545636059397974
Energy: 0.8437667554161263
Energy: 0.9121411293885023
Energy: 0.8521126150843584
Energy: 0.722163427267268
Energy: 0.8558983680640659
Energy: 0.8446996642114066
Energy: 0.9115537714120847
Energy: 0.8549021037863879
Energy: 0.7220336465412039
Energy: 1.1024840914250966
Energy: 0.8545614643534888
Energy: 0.8492612435791203
Energy: 1.1053976309308269
Energy: 0.8469191598705358
Energy: 1.102328657195381
Energy: 0.8532045186098921
Energy: 0.974273071287883
Energy: 0.9168223783484463
Energy: 0.8459329998441658
Energy: 0.9677095214817725
Energy: 0.9712860744569624
Energy: 0.9757802998439715
Energy: 0.8521595650350859
Energy: 0.9767850344519428
Energy: 0.9681546828456391
Energy: 0.9709616991231892
Energy: 0.9758262957099791
Energy: 0.8523471906548132
Energy: 0.9751827583377961
Energy: 0.8586972893415404
Energy: 0.9170737502903413
Energy: 0.9754279754454107
Energy: 0.9193671565446766
Energy: 0.8569030509375718
Energy: 0.8571775826155608
Energy: 0.9171007396589471
Energy: 0.9753553022553983
Energy: 0.9232656168564303
Energy: 0.9210078750162214
Energy: 0.9357910833109778
Energy: 0.8561492597338348
Energy: 0.7258800616008663
Energy: 0.7268932170461996
Energy: 0.8551561880336699
Energy: 0.8546776184614951
Energy: 0.8523641997142717
Energy: 0.7240509727159169
Energy: 0.7204856619914384
Energy: 0.8546240266293759
Energy: 0.917502878766263
Energy: 0.7476648933237966
Energy: 0.7290057729464796
Energy: 1.0915256663730566
Energy: 0.8552386059283266
Energy: 0.9176059358192235
Energy: 0.7484121518250807
Energy: 0.7293798087133279
Energy: 0.9172956100153027
Energy: 0.85366187112059
Energy: 0.7496492597907645
Energy: 0.8557728210023722
Energy: 0.8522782306692982
Energy: 0.8495711570477542
Energy: 0.8520986197535383
Energy: 0.8567600546256722
Energy: 0.9147942056536024
Energy: 0.8542804300538133
Energy: 0.8459985792236374
Energy: 0.8509773888537958
Energy: 0.9107623639700606
Energy: 0.8530333821476574
Energy: 0.8539496408898339
Energy: 0.8518782084998175
Energy: 0.9555710615320734
Energy: 0.845247497544421
Energy: 0.852583105990031
Energy: 0.8531484885939126
Energy: 0.8540565578061728
Energy: 0.8507079697369612
Energy: 1.0353204658855724
Energy: 0.9298997731782251
Energy: 0.9198215586787015
Energy: 0.9180651002048792
Energy: 0.8469074374841116
Energy: 0.8552389234277715
Energy: 0.849972485948626
Energy: 0.92312605060466
Energy: 0.9171360506326228
Energy: 0.8465892504431991
Energy: 1.0358417759052563
Energy: 0.8528623680155846
Energy: 0.9750461551776982
Energy: 0.9707359513046915
Energy: 0.9679458676780469
Energy: 0.8572810435266199
Energy: 0.8537963021108448
Energy: 0.9747665050006912
Energy: 0.9671392060115965
Energy: 0.9674292761346972
Energy: 0.8463645691278704
Energy: 0.9235664523942624
Energy: 0.9181711429083108
Energy: 0.8507122602024523
Energy: 1.104301595380362
Energy: 0.8467036608639499
Energy: 0.9230226014568995
Energy: 0.9166935509478663
Energy: 0.8545455456378155
Energy: 1.1044804618541997
Energy: 1.1523734101717333
Energy: 0.851830490367314
Energy: 0.8533559642164501
Energy: 0.8530681101625192
Energy: 0.9660164134829373
Energy: 0.9643375169027186
Energy: 0.8521493037974257
Energy: 0.8544940497022268
Energy: 0.8539101176066547
Energy: 0.9663198170095719

minimum gb energy = 0.7193745008092146 eV
minimum distance =  2.35850844747259 Angstroms
sigma value = 75


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

Energy: 1.713849053522904
Energy: 1.050055959804065
Energy: 0.9395128849268176
Energy: 0.9374049335700239
Energy: 1.0648619607558403
Energy: 0.9197781203606349
Energy: 0.9030908289988306
Energy: 0.923898749203123
Energy: 0.9289057109213082
Energy: 1.0472939218495918
Energy: 0.9294671026614039
Energy: 0.9503243010718408
Energy: 0.9234616308725716
Energy: 0.931466344811919
Energy: 0.9254226841193526
Energy: 0.9405769010616529
Energy: 0.9285751916402637
Energy: 0.935020613620869
Energy: 0.9329104752217459
Energy: 0.9547532511137798
Energy: 1.038705150698677
Energy: 0.8929973040087373
Energy: 0.8990001961948779
Energy: 0.931711877337419
Energy: 0.9818101466094522
Energy: 0.9129950072263732
Energy: 0.9228552449981555
Energy: 0.9167407646155242
Energy: 0.9358004195708053
Energy: 0.9032423554543275
Energy: 0.9793709956383472
Energy: 0.9493825671890151
Energy: 0.9509061710707118
Energy: 0.9050810121993974
Energy: 0.9707956198748837
Energy: 0.9808443933066776
Energy: 0.9605719134322784
Energy: 0.9300199810612038
Energy: 0.9541003981306149
Energy: 0.9840695156566954
Energy: 0.9501755920217326
Energy: 0.9344069152515337
Energy: 1.1045148849845965
Energy: 0.9751551947672914
Energy: 0.9213931512513697
Energy: 0.9522984016234409
Energy: 0.9222577157312051
Energy: 1.0994914290057973
Energy: 0.9982288864463065
Energy: 0.9327075429081512
Energy: 0.9145727482391542
Energy: 0.940123776252578
Energy: 0.9257344539076011
Energy: 0.9559429820480996
Energy: 0.9362187624819549
Energy: 0.9153543657798049
Energy: 0.9100118518945732
Energy: 0.92995443814941
Energy: 0.968291222039845
Energy: 0.9387273093507704
Energy: 0.9507036047712629
Energy: 0.9951834497566632
Energy: 0.9493858754082091
Energy: 0.9440870728149136
Energy: 0.9628477794938001
Energy: 0.9425892108984818
Energy: 0.9894746147766489
Energy: 0.9490410443018839
Energy: 0.9754263170817177
Energy: 0.9240117267519188
Energy: 0.9585701777257974
Energy: 0.9935226149803634
Energy: 1.1816429354608866
Energy: 1.152702660155561
Energy: 0.995003212273161
Energy: 0.9053819318297184
Energy: 0.9915890643715398
Energy: 0.8909211291213021
Energy: 1.1424537329303917
Energy: 0.9526653383837813
Energy: 0.9688125181859186
Energy: 0.963486563064908
Energy: 0.9507278812287904
Energy: 0.9531639218027231
Energy: 0.9426813937101081
Energy: 0.9967210613144997
Energy: 0.9977580203073858
Energy: 0.9629101701637284
Energy: 0.9488528415899073
Energy: 0.9487811227431623
Energy: 0.9280517331920362
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Energy: 0.9576831231749088
Energy: 1.097125834411478
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Energy: 0.9101147346140115
Energy: 0.9328130657158773
Energy: 0.9638864201987615
Energy: 1.1080507867145388
Energy: 0.9245798782574621
Energy: 0.9455318465442647
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Energy: 0.9294580354314437
Energy: 0.9245215005639563
Energy: 0.9417217802461447
Energy: 0.9576207830923185
Energy: 0.9409193949689055
Energy: 0.9237367401041979
Energy: 0.9281654290461508
Energy: 1.1265927629063104
Energy: 0.9333403473093044
Energy: 0.9529382962430946
Energy: 1.0093255773915628
Energy: 0.9623768612447668
Energy: 0.933255382948585
Energy: 0.9421112523468365
Energy: 0.9631850064466532
Energy: 0.9619903647499571
Energy: 0.9478543593313178
Energy: 0.935920183786183
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Energy: 0.9404987689482887
Energy: 1.0067701198808818
Energy: 0.9160516102867223
Energy: 1.0376777099139327
Energy: 0.9750812734051442
Energy: 0.943964812397271
Energy: 1.0404453036916612
Energy: 0.9349254556948388
Energy: 1.0161508722970034
Energy: 0.9303432534174065
Energy: 0.9725624002521154
Energy: 0.9803209330471302
Energy: 0.9609762615360419
Energy: 0.961035263282038
Energy: 0.9648242551231201
Energy: 0.9685340541492975
Energy: 0.970786322300744
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Energy: 0.9708750193952456
Energy: 0.9689926246528825
Energy: 0.9275408021587367
Energy: 0.9200440401363027
Energy: 0.9571024540962463
Energy: 1.0950702790745714
Energy: 0.9741882079713616
Energy: 0.9285763912944403
Energy: 0.9208612750127458
Energy: 0.938854357727796
Energy: 1.1162479423225364
Energy: 0.9875732915486433
Energy: 0.9465299401525646
Energy: 0.9622311016276871
Energy: 0.926033537831668
Energy: 0.93762157062427
Energy: 1.1277719028130548
Energy: 0.9489825184515767
Energy: 0.9414973579161066
Energy: 0.9292520398347512
Energy: 0.9245497513589213
Energy: 1.0004697315421278
Energy: 0.9571644538445077
Energy: 0.9687177987604892
Energy: 1.0337636911220773
Energy: 0.8657531716395714
Energy: 0.9757801084956969
Energy: 0.936395749473933
Energy: 0.9462903014870977
Energy: 0.9693835470644768
Energy: 0.8653437336879441
Energy: 0.9822341273696459
Energy: 1.0120807551839643
Energy: 1.0438713284371717
Energy: 1.0399283515922255
Energy: 0.9143299566054175
Energy: 1.018599865529528
Energy: 1.0156266746704214
Energy: 0.9922008772677916
Energy: 1.0019085064288473
Energy: 1.0155075068652388
Energy: 0.9473533007195492
Energy: 0.9641815075963609
Energy: 0.9629212508483828
Energy: 0.9532932993575237
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Energy: 0.9408709785750783

minimum gb energy = 0.8653437336879441 eV
minimum distance =  2.29981553024365 Angstroms
sigma value = 105


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

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Energy: 0.944525110787687
Energy: 0.9472660830446126
Energy: 1.0016317583422
Energy: 0.9369352266072242
Energy: 0.9448250430605105
Energy: 0.9442749907145722
Energy: 0.9481918986562016
Energy: 1.001412385329249
Energy: 0.9376790243308413
Energy: 1.042797152742507
Energy: 0.9656855563008736
Energy: 0.953316395638963
Energy: 1.0281315043142374
Energy: 1.0030932407307782
Energy: 1.0348583911160458
Energy: 0.979421134508308
Energy: 0.9352187786924259
Energy: 1.0258031424561802
Energy: 1.1596159317436066
Energy: 0.9955067137698898
Energy: 0.9892188726381523
Energy: 0.9898221053606938
Energy: 0.9650948559737796
Energy: 0.993063324933827
Energy: 0.9953536800761026
Energy: 1.0125952336846156
Energy: 0.989220441517305
Energy: 0.9637189149419731
Energy: 0.9958217275193297
Energy: 0.9968896626893455
Energy: 0.9626722497719856
Energy: 0.9958017554402239
Energy: 0.9630529701402873
Energy: 1.0213124305046963
Energy: 0.9967071646861029
Energy: 0.9484550393507395
Energy: 0.9835867590753837
Energy: 0.9650023186687372
Energy: 0.996613033495174
Energy: 0.9931994090524737
Energy: 0.9610812506994499
Energy: 0.9760334273381437
Energy: 0.9587796827071422
Energy: 1.003948018287711
Energy: 1.0015032472463694
Energy: 0.9719413978471768
Energy: 0.9759489724175097
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Energy: 0.9612804667384076
Energy: 1.0000145354185574
Energy: 1.0064067280920466
Energy: 0.9335199962655283
Energy: 0.9937916730276022
Energy: 0.9608016903941519
Energy: 0.9971624442966821
Energy: 0.99398948007104
Energy: 0.9334008421796506
Energy: 0.992910863672373
Energy: 1.103096863065508
Energy: 0.9933138520017991
Energy: 0.9903755174042085
Energy: 0.9909840772043437
Energy: 0.9936431584741012
Energy: 0.9965268347400621
Energy: 0.9932445714281223
Energy: 0.9928989257917372
Energy: 0.9896518593916651
Energy: 0.9937496599629783
Energy: 1.0019280918009337
Energy: 0.9933472262081404
Energy: 0.9341383413889248
Energy: 0.9894535335743753
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Energy: 1.0017516686464458
Energy: 0.9934160680482497
Energy: 0.9509751379581141
Energy: 0.9886380074378283
Energy: 1.0131169148897867
Energy: 0.9969981080158044
Energy: 0.9934339219652953
Energy: 0.9327148038348578
Energy: 1.0326273219475628
Energy: 1.0070085152300512
Energy: 0.9932251925524068
Energy: 0.9935514950925728
Energy: 0.933108748167771
Energy: 0.9890142953796589
Energy: 0.9521968297951908
Energy: 1.0541365025974219
Energy: 1.0177505212170181
Energy: 1.0510027084188975
Energy: 1.032371835051988
Energy: 0.9527737553397875
Energy: 1.0464376681468461
Energy: 1.0190752693480682
Energy: 1.0418179564403982
Energy: 1.0305158233024279
Energy: 0.9924447150934341
Energy: 0.9468450693066797
Energy: 0.9486455350311375
Energy: 0.9980405711622313
Energy: 1.043641412136821
Energy: 0.9358414182811939
Energy: 0.947872310693136
Energy: 0.9495897567224817
Energy: 0.9981020334862284
Energy: 0.9932093749486232
Energy: 0.9766646324913096
Energy: 0.9405183160754236
Energy: 0.9478080020214508
Energy: 0.9407426540669797
Energy: 0.998188586708706
Energy: 0.9986922161410041
Energy: 0.9407377119012982
Energy: 0.9469638635353125
Energy: 0.9407633080998112
Energy: 1.0031889535296317
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Energy: 0.941092761066205
Energy: 0.9498631803024553
Energy: 0.9411885045808804
Energy: 0.9564963759359357
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Energy: 0.9411513225652913
Energy: 0.9517923418182557
Energy: 0.9413140057821504
Energy: 0.9541602499308885
Energy: 0.9984644174308217
Energy: 1.0021498281975343
Energy: 0.9489392021480155
Energy: 0.9693835793103645
Energy: 0.9453446018745105
Energy: 0.9421057038904374
Energy: 0.9095153199065812
Energy: 0.9491756751632779
Energy: 0.9697379639542408
Energy: 0.9425815262392451
Energy: 0.9495524980759377
Energy: 1.0018088325685475
Energy: 0.945320301735916
Energy: 1.0404210747762348
Energy: 1.0520932007521702
Energy: 0.9923904266856564
Energy: 0.9644216628103701
Energy: 0.945121474797188
Energy: 1.050587386495602
Energy: 1.0526833246170881
Energy: 0.9748979674550257
Energy: 0.9974882851852337
Energy: 0.9453033725778942
Energy: 0.9418539656147478
Energy: 0.9948608655602784
Energy: 0.9384079230200573
Energy: 0.940910320137123
Energy: 0.9462430314424315
Energy: 0.9416564521863934
Energy: 0.994968230293585
Energy: 0.9617400069552441
Energy: 0.9584345286272018
Energy: 0.9449140485246077
Energy: 0.9449154929449675
Energy: 0.9525280051745687
Energy: 1.0063079370784396
Energy: 0.9584033085536482
Energy: 0.9439068652312315
Energy: 0.9374439487209582
Energy: 0.9523341278024482
Energy: 1.005773452433196
Energy: 0.9950480033847657
Energy: 0.9367822076267059
Energy: 0.9442730996938398
Energy: 0.9460639580764035
Energy: 0.9171966233295012
Energy: 0.9951338274190699
Energy: 0.9377975043201828
Energy: 0.9465153169002636
Energy: 0.9465525589642112
Energy: 0.9755468120298026
Energy: 1.0391340951345198
Energy: 0.9837200040449153
Energy: 0.9774066193767
Energy: 0.9956478496437793
Energy: 1.0081245759157356
Energy: 1.025271802127388
Energy: 0.9614112375269949
Energy: 0.9799729963035191
Energy: 0.9909451387696994
Energy: 0.9988697508219961
Energy: 0.9614012807103348
Energy: 0.9946390029950719
Energy: 0.9948798276965366
Energy: 0.9313467084426411
Energy: 1.0619527524059107
Energy: 0.9611272316144598
Energy: 0.9948481337234367
Energy: 0.9948357102764785
Energy: 0.9384431032939684
Energy: 1.0372256868379317
Energy: 0.9111430144656627
Energy: 0.9954252232690164
Energy: 0.9948978926697652
Energy: 0.9468316619949317
Energy: 1.0225267638541446
Energy: 0.9148752558003506
Energy: 0.995257478008867
Energy: 0.99468081809078
Energy: 0.9467493326972365
Energy: 1.0289902957090913
Energy: 1.003292263236482
Energy: 1.002417803950823
Energy: 1.0014748857747864
Energy: 0.9767600093717006
Energy: 1.0140180319229088
Energy: 1.003777478917505
Energy: 0.9989355637132611
Energy: 0.9998757809830339
Energy: 0.9754660908096291
Energy: 1.0017498748201703
Energy: 1.0541334878885047
Energy: 0.9934853372303724
Energy: 0.973242767538458
Energy: 0.9954763320848279
Energy: 0.9956772719642207
Energy: 0.9911486975345576
Energy: 0.9938381904862713
Energy: 0.9635836332593889
Energy: 0.9979766528611883
Energy: 0.9955897640901236
Energy: 1.0094370232650312
Energy: 1.0163024363884126
Energy: 1.0090247880531003
Energy: 0.9985832601896447
Energy: 0.9978973859562683
Energy: 0.9919009673055986
Energy: 1.0125366296835279
Energy: 0.9999631758382566
Energy: 0.977740256223534
Energy: 0.9859014104370595
Energy: 1.0269865181750728
Energy: 0.9433321081676662
Energy: 0.9971491867550313
Energy: 0.9906726845921072
Energy: 0.9329390198517223
Energy: 0.9905262366899281
Energy: 0.9241730557962415
Energy: 0.9938509115456146
Energy: 0.9893529705481718
Energy: 0.956108913499806
Energy: 0.963372934930715
Energy: 0.9585886993895302
Energy: 1.0040185509866517
Energy: 0.9916985269061379
Energy: 0.9258582791020467
Energy: 0.992699190428161
Energy: 0.9578315731426938
Energy: 0.9913945904005342
Energy: 0.9918198376203138
Energy: 0.9949687389325176
Energy: 1.0469524102197996
Energy: 1.0023250011313187
Energy: 1.001048165401743
Energy: 0.9913588521880558
Energy: 1.0507567063556882
Energy: 0.957819547352565
Energy: 1.0015913498607372
Energy: 1.0215620955717069
Energy: 0.9914803841185564
Energy: 1.0426941768916236
Energy: 0.9932978282642183
Energy: 0.9460742566418466
Energy: 0.9396881995766851
Energy: 0.9426284552506705
Energy: 0.9917352261862686
Energy: 0.9264148644702823
Energy: 0.9479095981966865
Energy: 0.9482596067674949
Energy: 0.9309165664513935
Energy: 0.9922838183150918
Energy: 0.9497473079866668
Energy: 0.9366981059645564
Energy: 0.9450992541780022
Energy: 0.9434929283207579
Energy: 0.9354567407846086
Energy: 0.9322377125852367
Energy: 0.935474385188307
Energy: 0.9390577435851049
Energy: 0.9382771645445567
Energy: 0.9909259610918332

minimum gb energy = 0.9095153199065812 eV
minimum distance =  2.30416149492369 Angstroms
sigma value = 165


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

Energy: 1.181131417800093
Energy: 0.8864821458377011
Energy: 0.8949670540003057
Energy: 0.946267216673053
Energy: 0.8870544068866372
Energy: 1.1813506426718128
Energy: 0.8967991977818631
Energy: 0.8950247466815853
Energy: 0.9459109265293305
Energy: 0.886474255475494
Energy: 0.8863362231648205
Energy: 0.9477494946468396
Energy: 0.9500985107587058
Energy: 0.9381937967862868
Energy: 0.9368935889980515
Energy: 0.9379794762791781
Energy: 0.939252603497403
Energy: 0.9494635286239079
Energy: 0.939035822432766
Energy: 0.9885539702123698
Energy: 0.9436314709142672
Energy: 0.987325800056194
Energy: 0.8953829493700538
Energy: 0.9461623816487895
Energy: 0.9842203282312981
Energy: 0.9436839120508106
Energy: 0.8955723529651753
Energy: 0.9472302473692352
Energy: 0.9460610220755513
Energy: 0.9889202478929692
Energy: 0.886230980132205
Energy: 0.9463297611383185
Energy: 0.9423891701094733
Energy: 0.9453775015709427
Energy: 0.8918898473506895
Energy: 1.0687689549600385
Energy: 0.9475046921226948
Energy: 0.942374555540952
Energy: 0.8962728901924767
Energy: 0.9875898830549213
Energy: 0.9411924563512367
Energy: 0.9460252016459384
Energy: 0.937612280120935
Energy: 0.9352616617516086
Energy: 0.9367642677080872
Energy: 0.9448076083281779
Energy: 0.8916810076368366
Energy: 0.937294889604522
Energy: 0.9367369263150634
Energy: 0.9379623913318919
Energy: 1.0103509117264777
Energy: 0.9390776305668501
Energy: 0.8974068711780647
Energy: 0.8908246806102949
Energy: 0.9399394969543456
Energy: 1.0106721666380836
Energy: 0.9386198828480229
Energy: 0.8955428902586767
Energy: 0.889531749548666
Energy: 0.9011687659094546
Energy: 0.9345240972069632
Energy: 0.9356211948041167
Energy: 0.9462004277695136
Energy: 0.8953950133906327
Energy: 0.9469677709554941
Energy: 0.9904158216255537
Energy: 0.9658297541855579
Energy: 0.94277976552977
Energy: 0.8959071791152206
Energy: 0.9475356046562255
Energy: 0.9712736036462574
Energy: 0.9357366203435047
Energy: 0.9009451935494553
Energy: 0.9349965251247669
Energy: 0.9352390814917126
Energy: 0.8941827742826114
Energy: 0.9351272271172195
Energy: 0.8998797929640093
Energy: 0.9359947154180543
Energy: 0.8835303408066305
Energy: 0.8938785032076472
Energy: 0.9368695040708617
Energy: 0.8982669161601381
Energy: 0.9355442229584258
Energy: 0.9369073486556208
Energy: 0.8956511895048821
Energy: 0.900794258106538
Energy: 0.8979052333434049
Energy: 0.935590390532517
Energy: 0.9699846596020918
Energy: 0.9891868838079739
Energy: 0.9472812770956441
Energy: 0.949796540321635
Energy: 0.945338138175485
Energy: 0.9370141237086099
Energy: 0.987769168689604
Energy: 0.9465371622675863
Energy: 0.9464234939188331
Energy: 0.9455665310876692
Energy: 0.9379631660267688
Energy: 0.9716811417570101
Energy: 0.9434222346534763
Energy: 0.9461672629086791
Energy: 0.9455337818888886
Energy: 0.9843468898877025
Energy: 0.9461233605905518
Energy: 0.9438554024546485
Energy: 0.945442087957623
Energy: 0.9453250892514298
Energy: 0.8859521966303217
Energy: 0.9464348577236983
Energy: 0.9412206234494541
Energy: 0.9467676708269415
Energy: 0.9418949309745114
Energy: 0.9481392645264071
Energy: 0.9465965782878801
Energy: 0.939998940897878
Energy: 0.9456406898639049
Energy: 0.9432558226177052
Energy: 0.9499459141422093
Energy: 1.036773878787263
Energy: 0.947052764772877
Energy: 0.937970919070293
Energy: 0.9379151992685015
Energy: 0.8952262820312578
Energy: 0.8902364664314191
Energy: 0.942228225075515
Energy: 0.9364315067142166
Energy: 0.9390428872766611
Energy: 0.8951824808853606
Energy: 0.9386852806430208
Energy: 0.9454485918309767
Energy: 0.9357148214841695
Energy: 0.8891153947645617
Energy: 0.9360340129073996
Energy: 0.9869484434145501
Energy: 0.9445195295854419
Energy: 0.8999412715517588
Energy: 0.8862203376641967
Energy: 0.9358483629247808
Energy: 0.8871630413473518
Energy: 0.942452116149554
Energy: 0.9471453840027274
Energy: 0.8965968262841466
Energy: 0.949743235155071
Energy: 0.937602908173708
Energy: 0.9389445492665041
Energy: 0.9472169318596966
Energy: 0.8972406709146126
Energy: 0.9481093153459587

minimum gb energy = 0.8835303408066305 eV
minimum distance =  2.30960754697719 Angstroms
sigma value = 41


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

Energy: 1.7600349159863748
Energy: 0.8284086695372084
Energy: 0.8183761128790287
Energy: 0.8197044752988166
Energy: 0.8295662010126216
Energy: 0.8370783322455522
Energy: 0.8294301823442259
Energy: 0.8337131430343443
Energy: 0.8309563290442288
Energy: 0.8102148854238196
Energy: 0.8775633235196134
Energy: 0.8576124880757434
Energy: 0.8198029110238779
Energy: 0.8277435206637163
Energy: 0.8172497352600631
Energy: 0.8717633723539019
Energy: 0.8177448363540231
Energy: 0.8308926591123598
Energy: 0.8296144128157846
Energy: 0.8799005887378689
Energy: 0.835470892568532
Energy: 0.8678726990517895
Energy: 0.8725425822173599
Energy: 0.846556427680578
Energy: 0.8476328072727233
Energy: 0.8464054941016295
Energy: 0.8425821010849638
Energy: 0.8583631328130087
Energy: 0.8586262206962983
Energy: 0.8866818960202754
Energy: 0.871130905239519
Energy: 0.8225172397196562
Energy: 0.8578158778720196
Energy: 0.858864894098312
Energy: 0.8197557449066201
Energy: 0.8743317895338863
Energy: 0.858461305805205
Energy: 0.8377600375316689
Energy: 0.8803779256608172
Energy: 0.9333226357370156
Energy: 0.8785661449045987
Energy: 0.8557183174625934
Energy: 0.858304998856556
Energy: 0.8643415039283631
Energy: 0.8800598948603549
Energy: 0.8487544677681339
Energy: 0.854569533503432
Energy: 0.836828492758825
Energy: 0.8371263480142686
Energy: 0.9094357615796749
Energy: 0.9046123107333612
Energy: 0.8498547483597808
Energy: 0.8767819056639281
Energy: 0.8155021697255846
Energy: 0.8563336399171174
Energy: 0.9048652285455915
Energy: 0.8287929498805264
Energy: 0.8907219015516767
Energy: 0.8153500953999268
Energy: 0.8932202655611448
Energy: 0.8934097934537741
Energy: 0.8848623413615652
Energy: 0.8570236791952086
Energy: 0.8459951137569627
Energy: 0.8297867774183847
Energy: 0.8860925902149371
Energy: 0.8655997166880708
Energy: 0.8575291775621549
Energy: 0.8485828648724596
Energy: 0.8744342363165805
Energy: 0.8285908844099601
Energy: 0.8528256344863984
Energy: 0.8584140482533547
Energy: 0.8478019923340288
Energy: 0.8387626119698695
Energy: 0.8451260838623756
Energy: 0.8533529178778597
Energy: 0.8578071294504932
Energy: 0.8317597779963815
Energy: 0.8636510393837572
Energy: 0.8272104064431429
Energy: 0.8628959647879154
Energy: 0.833459266592767
Energy: 0.866004932225092
Energy: 0.8542257526802902
Energy: 0.8268065358126221
Energy: 0.8559425528707754
Energy: 0.9111929520392356
Energy: 0.8715746095715676
Energy: 0.8532013527001471
Energy: 0.8420056138013895
Energy: 0.8299871688315476
Energy: 0.8302355281918676
Energy: 0.853433336094105
Energy: 0.8499895765266838
Energy: 0.8409856495937131
Energy: 0.8381883285942016
Energy: 0.8323595629646565
Energy: 0.8490768719386247
Energy: 0.9037092342646754
Energy: 0.8065211100402262
Energy: 0.8219408120378705
Energy: 0.8533510486447851
Energy: 0.8336337630836015
Energy: 0.8281900194474728
Energy: 0.806239617940576
Energy: 0.8228155353547723
Energy: 0.8545466656316425
Energy: 0.8586115635819658
Energy: 0.9574958072444586
Energy: 0.8368327425981851
Energy: 0.8257190833910838
Energy: 0.8606556195276512
Energy: 0.8324092731330499
Energy: 0.8951652479354012
Energy: 0.8387660084679519
Energy: 0.8259760420685792
Energy: 0.8562159244642477
Energy: 0.838297549106383
Energy: 0.8868616756452535
Energy: 0.814905660765611
Energy: 0.8299234743559522
Energy: 0.8350539026869886
Energy: 0.8714705033611904
Energy: 0.8330222865933649
Energy: 0.8144810809956514
Energy: 0.8306240496089672
Energy: 0.8351709894900349
Energy: 0.8648372161363534
Energy: 0.81951409363404
Energy: 0.8464827260312502
Energy: 0.8297201088748731
Energy: 0.8336120018226026
Energy: 0.8160120396268251
Energy: 0.8893761810177269
Energy: 0.8456992992846212
Energy: 0.8295885877745528
Energy: 0.8323233284362812
Energy: 0.8157711338426922
Energy: 0.8889292323694884
Energy: 0.8490640435425678
Energy: 0.8361548383335345
Energy: 0.8180325441484787
Energy: 0.8793290102867348
Energy: 0.8535390398799744
Energy: 0.8144881176430444
Energy: 0.8380995085248477
Energy: 0.8141677785251186
Energy: 0.8764334153508704
Energy: 0.8556520580765079
Energy: 0.9625108313425297
Energy: 0.8614340752390659
Energy: 0.8557246643086597
Energy: 0.8496143913965819
Energy: 0.8622596918983594
Energy: 0.9638687112981155
Energy: 0.8560254917099778
Energy: 0.8477227462378972
Energy: 0.8493593668531726
Energy: 0.8619930061303671
Energy: 0.8550642527870184
Energy: 0.8574724024219754
Energy: 0.8479169614696269
Energy: 0.8517861516396767
Energy: 0.8593870559420455
Energy: 0.8541913627493166
Energy: 0.8575429001480019
Energy: 0.8473269007229556
Energy: 0.8536228566740011
Energy: 0.8703520516743043
Energy: 0.8578296663781305
Energy: 0.8575384924476482
Energy: 0.9846649487324454
Energy: 0.8818222514899889
Energy: 0.8500480527480713
Energy: 0.8582315231165472
Energy: 0.8581257121625735
Energy: 0.9747213235037622
Energy: 0.8792989710263995
Energy: 0.8505132433484096
Energy: 0.8809148867767589
Energy: 0.8729949993274048
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Energy: 0.8851385929752371
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Energy: 0.8548357332958887
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Energy: 0.8792357762011805
Energy: 0.8534675129603545
Energy: 0.8550123165602854
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Energy: 0.8639959052322234
Energy: 0.8625440476819297
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Energy: 0.8559535747856318
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Energy: 0.8148603304066282
Energy: 0.8525312367957143
Energy: 0.8549222279758772
Energy: 0.8573090382046653
Energy: 0.8623685181443865
Energy: 0.8297406812685855
Energy: 0.8602714607339872
Energy: 0.8555362305931671
Energy: 0.8767317603571644
Energy: 0.8049316091697198
Energy: 0.8069498673581913
Energy: 0.8260817811436684
Energy: 0.8347433518849929
Energy: 0.8814100411381186
Energy: 0.8290271965714687
Energy: 0.8286070249431979
Energy: 0.8089640915043373
Energy: 0.80660659982342
Energy: 0.8295521870354683
Energy: 0.8366355526176836
Energy: 0.8155752432320865
Energy: 0.837917482689028
Energy: 0.8064006376920451
Energy: 0.8309819034111984
Energy: 0.8324571227409492
Energy: 0.8356860832171531
Energy: 0.837439300146326
Energy: 0.8203721274223388
Energy: 0.8534421576661441
Energy: 0.8358791741308778
Energy: 0.8278529148738671
Energy: 0.8151389087968481
Energy: 0.8301288282185342
Energy: 0.8703019576226242
Energy: 0.8314835778873494
Energy: 0.8320335934873515
Energy: 0.8290610824198863
Energy: 0.884804984473175
Energy: 0.8295750972668712
Energy: 0.8286095893860213
Energy: 0.8281429876687895
Energy: 0.8235603284656969
Energy: 0.8756053696777866
Energy: 0.8096732560962449
Energy: 0.8189941084878387
Energy: 0.8173075566158453
Energy: 0.8504924695145052

minimum gb energy = 0.8049316091697198 eV
minimum distance =  2.31308669102418 Angstroms
sigma value = 185


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

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Energy: 0.5257973086908339
Energy: 0.6204680895052318
Energy: 0.5999864517948373
Energy: 0.35038845285873776
Energy: 0.3495067626325032
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Energy: 0.6192922055061131
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Energy: 0.3900519315552227
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Energy: 0.719804149583849
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Energy: 0.5956063104192247
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Energy: 0.3504190518011926
Energy: 0.3492967954069708
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Energy: 0.38777048956431703
Energy: 0.7170419645234322
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Energy: 0.3491645771526385
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Energy: 0.3879858230164003
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Energy: 0.6825285882575016
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Energy: 0.38805407795232194
Energy: 0.6707067024749084
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Energy: 0.6577054696801077
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Energy: 0.382449433973729
Energy: 0.6193268393319241
Energy: 0.7141861803984927
Energy: 0.6372167672842122
Energy: 0.5797343411863559
Energy: 0.5946379951121543
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Energy: 0.6782782143885223
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Energy: 0.40823365087227154
Energy: 0.6316294034377291
Energy: 0.7217966974782419
Energy: 0.6271690641002682
Energy: 0.6160709421990687
Energy: 0.42183284860978004
Energy: 0.6765017079325527
Energy: 0.6671041770763296
Energy: 0.6004963449168339
Energy: 0.39058157087195605
Energy: 0.39080808485318447
Energy: 0.6113328388361684
Energy: 0.6577010939627282
Energy: 0.6270180092252701
Energy: 0.42804273540939675
Energy: 0.42619716373348515
Energy: 0.6460299051337862
Energy: 0.6904499714198572
Energy: 0.6560594960028514
Energy: 0.6111087668843528
Energy: 0.6461685871453571
Energy: 0.6155602191603218
Energy: 0.6161586101233283
Energy: 0.6107759770441824
Energy: 0.6104203540360673
Energy: 0.620180089842217
Energy: 0.6127605472608867
Energy: 0.6429154451543524
Energy: 0.631246878285894
Energy: 0.5365463367582989
Energy: 0.6458742581882788
Energy: 0.6637457309407888
Energy: 0.6359480673165654
Energy: 0.6026033141689885
Energy: 0.3502359292764174
Energy: 0.6069818356754552
Energy: 0.5942717797100074
Energy: 0.6352069076330352
Energy: 0.5366678285808025

minimum gb energy = 0.3491645771526385 eV
minimum distance =  2.40557899852984 Angstroms
sigma value = 33


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

Energy: 0.752709441863871
Energy: 0.7418640850268693
Energy: 0.7511084946810418
Energy: 0.7634323054142921
Energy: 0.7358365078744453
Energy: 0.7366667732204
Energy: 0.7534443907547658
Energy: 0.7501307302037402
Energy: 0.7653673102447823
Energy: 0.735411051970445
Energy: 0.7423585173207085
Energy: 0.7775159914083689
Energy: 0.7496002273857493
Energy: 0.7488351945696694
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Energy: 0.748937804077004
Energy: 0.7514755798640089
Energy: 0.7424651699218238
Energy: 0.7500958978961805
Energy: 0.7490573421157033
Energy: 0.7746941629388924
Energy: 0.7364118500503462
Energy: 0.7419140387045815
Energy: 0.749966153608862
Energy: 0.748815665101831
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Energy: 0.736389560288571
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Energy: 0.7789539587814746
Energy: 0.7500952719575951
Energy: 0.7540628257064328
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Energy: 0.7505048659257942
Energy: 0.7540086811701121
Energy: 0.7400940549036219
Energy: 0.7498419915678164
Energy: 0.7548693388347721
Energy: 0.7755622703898613
Energy: 0.7403790566661433
Energy: 0.7775655081330148
Energy: 0.7499799286649067
Energy: 0.7739408957427636
Energy: 0.7760970461251352
Energy: 0.7403948725781423
Energy: 0.7523980655810133
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Energy: 0.7499554150802232
Energy: 0.8300897692084532
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Energy: 0.7412195106971647
Energy: 0.7512491089905874
Energy: 0.7371691230801202
Energy: 0.7581803010036031
Energy: 0.7405457346317356
Energy: 0.7416538712062518
Energy: 0.7511719820962303
Energy: 0.7369624401007966
Energy: 0.7429623629923992
Energy: 0.7404203798465879
Energy: 0.7399417498983433
Energy: 0.7485737178998055
Energy: 0.8031731442936957
Energy: 0.7400931655140883
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Energy: 0.7400856935981402
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Energy: 0.7390248236422088
Energy: 0.8876999355964554
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Energy: 0.7404324300600397
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Energy: 0.7368886016149235
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Energy: 0.7414652045681294
Energy: 0.7404175320043643
Energy: 0.758801342622024
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Energy: 0.751466347314191
Energy: 0.7412994247820529
Energy: 0.7549095493212651
Energy: 0.7366846778511715
Energy: 0.7419030016137101
Energy: 0.7514101767329856
Energy: 0.8286321967523367
Energy: 0.7738543449997558
Energy: 0.7360940539702848
Energy: 0.7416875184346132
Energy: 0.7514082353669655
Energy: 0.829839578312347
Energy: 0.737872249199096
Energy: 0.7592805791096489
Energy: 0.7497048064311629
Energy: 0.7502151293259388
Energy: 0.7508857501269218
Energy: 0.7375391812393262
Energy: 0.7356589088636093
Energy: 0.8450758372226598
Energy: 0.7499851813400094
Energy: 0.7506985398124987
Energy: 0.740473900579254
Energy: 0.7409427917656204
Energy: 0.7828808844645775
Energy: 0.7517330823141047
Energy: 0.7504185530515644
Energy: 0.7409502309319621
Energy: 0.7407975127544844
Energy: 0.7832632907344856
Energy: 0.7563328040788171
Energy: 0.7501373256154454
Energy: 0.8206770247095065
Energy: 0.753755781758069
Energy: 0.7509520070418725
Energy: 0.7749711150608286
Energy: 0.7431423616404231
Energy: 0.7347999543528161
Energy: 0.7543735471681966
Energy: 0.7501916094387202
Energy: 0.7519910813099027
Energy: 0.7442613050807282

minimum gb energy = 0.7343289768741931 eV
minimum distance =  2.35755854009084 Angstroms
sigma value = 219


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

Energy: 1.3756471747474714
Energy: 0.9913155479699692
Energy: 0.986699424196346
Energy: 0.9865485095659714
Energy: 0.9702645562255007
Energy: 0.9672883890551921
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Energy: 0.9762961875561688
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Energy: 0.9599408377756066
Energy: 0.9663634456859033
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Energy: 0.9604383036618518
Energy: 0.9752350672371767
Energy: 0.9991561801565267
Energy: 0.9616154417717026
Energy: 0.9584578317321211
Energy: 0.9654775570372004
Energy: 0.9725858016031771
Energy: 0.9598816252319149
Energy: 0.961217307877645
Energy: 0.9598108103911392
Energy: 0.9857253166607299
Energy: 0.9729137255474163
Energy: 0.996499559052903
Energy: 0.9995057943973342
Energy: 0.9615582632399885
Energy: 0.9768530647085012
Energy: 0.9724357063884648
Energy: 0.9795560420765712
Energy: 0.9992571959210785
Energy: 0.9620942905235632
Energy: 0.9764255521514513
Energy: 0.973480347226812
Energy: 0.9742484472557802
Energy: 0.962415030267832
Energy: 0.9369698598365594
Energy: 0.9744861418361797
Energy: 0.9714522587870269
Energy: 0.9744989679584602
Energy: 0.9428468345171678
Energy: 0.9369055326278546
Energy: 0.974659403097879
Energy: 0.9717460444493917
Energy: 0.9763672667344387
Energy: 0.9775609583061864
Energy: 0.9754842822682442
Energy: 0.9933733116824333
Energy: 0.9756069791832338
Energy: 0.975834951667363
Energy: 0.9759811622730894
Energy: 0.9730703248874233
Energy: 0.992235331214414
Energy: 0.9747349940289908
Energy: 0.9379729517949191
Energy: 0.9699986498806049
Energy: 0.9747844787962943
Energy: 0.9745494375938761
Energy: 0.9771515887536928
Energy: 0.986142831617543
Energy: 0.9700284412507035
Energy: 0.9911035722730817
Energy: 0.9929948520174516
Energy: 0.97734626866679
Energy: 0.9751758952076262
Energy: 0.9695331140168784
Energy: 0.9613678832965822
Energy: 0.9874566542047072
Energy: 0.9749008094483285
Energy: 0.9905612432856469
Energy: 0.9702754403288338
Energy: 1.005082179346826
Energy: 0.9859298376745214
Energy: 0.9762935004835375
Energy: 0.9704314493274628
Energy: 0.9910632899974979
Energy: 0.9595663854733121
Energy: 0.9608489450660217
Energy: 0.9758022760250942
Energy: 0.9717633486666026
Energy: 0.9912134190015913
Energy: 0.959558683800095
Energy: 0.9617557346606213
Energy: 0.9748885775117176

minimum gb energy = 0.9369055326278546 eV
minimum distance =  2.33052960016643 Angstroms
sigma value = 15


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

Energy: 1.5899520337878645
Energy: 1.075860476373101
Energy: 1.1201618213191185
Energy: 1.099833482694589
Energy: 1.141538853870768
Energy: 1.0851232415760395
Energy: 1.0954249632418902
Energy: 1.1166938909186797
Energy: 1.1010346147125099
Energy: 1.148365280268878
Energy: 1.1195964266732732
Energy: 1.0899171354112074
Energy: 1.0860254645484306
Energy: 1.0830921259350135
Energy: 1.0997187215704483
Energy: 1.0987966416199362
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minimum gb energy = 1.060058773935518 eV
minimum distance =  2.28682801886349 Angstroms
sigma value = 293


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

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Energy: 1.0960784529803755
Energy: 1.0937971238739637
Energy: 1.0957041507507868
Energy: 1.106032727792947
Energy: 1.088307013238397
Energy: 1.0850858847590648
Energy: 1.0974782924435573
Energy: 1.1239879437842917
Energy: 1.1011983515563954
Energy: 1.1011244261932331
Energy: 1.1173149471564288
Energy: 1.1195191937917237
Energy: 1.118650520320054
Energy: 1.092936501479282
Energy: 1.125557345978852
Energy: 1.117556602545812
Energy: 1.1009987191483317
Energy: 1.1307266673085414
Energy: 1.1718838264948177
Energy: 1.0908974672285006
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Energy: 1.0890679317137364
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Energy: 1.1690447351586886
Energy: 1.1057116760583914
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Energy: 1.125593390455563
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Energy: 1.1183115229751575
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Energy: 1.122939979518619
Energy: 1.1029747970193744
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Energy: 1.122969705029252
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Energy: 1.122838471014534
Energy: 1.0791248591563671
Energy: 1.0937861567625589
Energy: 1.1000313696998114
Energy: 1.055065749346576
Energy: 1.140660313402024
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Energy: 1.1047947346108788
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Energy: 1.0696839354584813
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Energy: 1.089771617955738
Energy: 1.0956695746686846
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Energy: 1.1068584182493348
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Energy: 1.0944286261894036
Energy: 1.1002672192479006
Energy: 1.0886351347785732
Energy: 1.1003534992096962
Energy: 1.085801122393833
Energy: 1.0845908963652462
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Energy: 1.0878684291753091
Energy: 1.123691694294097
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Energy: 1.0847298437332025
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Energy: 1.1202807321588946
Energy: 1.1234471956372116
Energy: 1.1171823361052988
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Energy: 1.0940294329851792
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Energy: 1.0777938250095755
Energy: 1.1252610665313716
Energy: 1.0917880505716258
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Energy: 1.080512259257883
Energy: 1.0944784234519278
Energy: 1.1264010010197254
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Energy: 1.0956381272529663
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Energy: 1.069608578503459
Energy: 1.0449275752517857
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Energy: 1.0956158026874097
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Energy: 1.0979421002569347
Energy: 1.1109819619844556
Energy: 1.085780016535938
Energy: 1.0933924993562698
Energy: 1.0979612825470695
Energy: 1.09798702965157
Energy: 1.1154190370969463
Energy: 1.096891398476762
Energy: 1.066339789071664
Energy: 1.114328809219614
Energy: 1.1097100974808045
Energy: 1.0949732373330148
Energy: 1.1553261354906983
Energy: 1.1061269224382813
Energy: 1.090203152531093
Energy: 1.131109727060787
Energy: 1.1088318647878774
Energy: 1.06377697330965
Energy: 1.14901727558949
Energy: 1.0903195360477347
Energy: 1.0897183855101638
Energy: 1.1290961954752317
Energy: 1.149602468849523
Energy: 1.1447748771163802
Energy: 1.09456065769349
Energy: 1.08928519332189
Energy: 1.1247997812047952
Energy: 1.0552694928051787
Energy: 1.095598569650287
Energy: 1.08707677575256
Energy: 1.0926730012667452
Energy: 1.1277516146560582
Energy: 1.094635050910782
Energy: 1.094526516001597
Energy: 1.087508380014657
Energy: 1.0896694379429757
Energy: 1.1314034586672626
Energy: 1.1157148260857312
Energy: 1.110131968401599
Energy: 1.1308378117785867
Energy: 1.1178412893958796
Energy: 1.0845028034975657
Energy: 1.0862863865450878
Energy: 1.0844797365227787
Energy: 1.1385406096953339
Energy: 1.1135801533750822
Energy: 1.0844182142178507
Energy: 1.0916975756732488
Energy: 1.0943922005290427
Energy: 1.1234268546294282
Energy: 1.0979790294177416
Energy: 1.0978772043124403
Energy: 1.1161687216374747
Energy: 1.1225029048837925
Energy: 1.1227736274990257
Energy: 1.1479248553126378
Energy: 1.0943716391322256
Energy: 1.1197586751761301
Energy: 1.091649809440333
Energy: 1.1314667752820455
Energy: 1.087615473633391
Energy: 1.100578364845578
Energy: 1.117953611374061
Energy: 1.0888148655031689
Energy: 1.1384610108837032
Energy: 1.0958003677231682
Energy: 1.095794978146531
Energy: 1.1691976945849627
Energy: 1.058152804454554
Energy: 1.129266950016629
Energy: 1.1011968787864257
Energy: 1.075783464587887
Energy: 1.1181835429341527
Energy: 1.1094946786007436
Energy: 1.1072473837340133
Energy: 1.1040693988943062
Energy: 1.094041270452727
Energy: 1.1102746545211728

minimum gb energy = 1.044388905304501 eV
minimum distance =  2.29617040620763 Angstroms
sigma value = 293


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

Energy: 1.0182698193446067
Energy: 1.0272882535831345
Energy: 1.124586341675886
Energy: 1.0468467370127348
Energy: 1.026664654738194
Energy: 1.0195999251876622
Energy: 1.0473387708283222
Energy: 1.123811387015104
Energy: 1.0475045446798998
Energy: 1.0261147768234131
Energy: 1.0394836007413977
Energy: 1.0396450862784181
Energy: 1.0374629246556777
Energy: 1.0357419057646617
Energy: 1.0393969416564008
Energy: 1.1026292983569557
Energy: 1.03969953362225
Energy: 1.0258800786629714
Energy: 1.03729324166869
Energy: 1.0497358083800885
Energy: 1.0408335425211144
Energy: 1.0385010054267216
Energy: 1.0415550009433157
Energy: 1.0482121183918183
Energy: 1.1042213704962172
Energy: 1.0385566374498079
Energy: 1.0381290215941057
Energy: 1.0404905740443484
Energy: 1.1243814385883408
Energy: 1.1052398155350127
Energy: 1.1249357627890344
Energy: 1.023749377983691
Energy: 1.025263553886087
Energy: 1.0380088704542927
Energy: 1.0439681798112244
Energy: 1.1243411675778394
Energy: 1.0225753745299928
Energy: 1.0257489435656548
Energy: 1.0388804092724617
Energy: 1.021695636980123
Energy: 1.0398408829238992
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Energy: 1.0225515764205375
Energy: 1.110086112266824
Energy: 1.048991056138067
Energy: 1.03826284404722
Energy: 1.0258323537033966
Energy: 1.0232420707459906
Energy: 1.0420173846191099
Energy: 1.0399635132750447
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Energy: 1.1246454084637185
Energy: 1.0478233705568725
Energy: 1.0403457418243758
Energy: 1.0267036273564385
Energy: 1.0394440263774063
Energy: 1.1232052139948108
Energy: 1.0476641788344867
Energy: 1.0435271127997532
Energy: 1.0408168125187234
Energy: 1.047193491094734
Energy: 1.0212575796295935
Energy: 1.0511429775269456
Energy: 1.0399912390030697
Energy: 1.0416466378214142
Energy: 1.0445174751742075
Energy: 1.0214690791839025
Energy: 1.0497066391754581
Energy: 1.039837989585285
Energy: 1.0404001806448422
Energy: 1.0501994624896323
Energy: 1.100058768583731
Energy: 1.048212646718695
Energy: 1.0207851252904419
Energy: 1.0259738780245211
Energy: 1.0901097892024458
Energy: 1.1012927772846148
Energy: 1.0469982466708774
Energy: 1.019766913182216
Energy: 1.0261659740014468
Energy: 1.039820787257931
Energy: 1.025774478326718
Energy: 1.036133847932575
Energy: 1.0246365814829963
Energy: 1.1072654062946083
Energy: 1.0394499045061687
Energy: 1.0362927826593407
Energy: 1.036065372056451
Energy: 1.0239597060679746
Energy: 1.108480555204717
Energy: 1.0430657430066106
Energy: 1.0419766278252298
Energy: 1.1023839587194508
Energy: 1.1250993828281541
Energy: 1.0476128202302304
Energy: 1.0466652998150585
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Energy: 1.1033959193388116
Energy: 1.0530776146451717
Energy: 1.0386968207755203
Energy: 1.0239812764306906
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Energy: 1.0425955476534832
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Energy: 1.0242821369192807
Energy: 1.0495754856889257
Energy: 1.0209972400244278
Energy: 1.0480814924753903
Energy: 1.1057241349796483
Energy: 1.0184920057296072
Energy: 1.0460413579323213
Energy: 1.1219434685899674
Energy: 1.0478198606700133
Energy: 1.0267789660240556
Energy: 1.0197178245384033
Energy: 1.0475805703607455
Energy: 1.1237067384936712
Energy: 1.0476373597984967
Energy: 1.0263281349020792
Energy: 1.1049608295754316
Energy: 1.0393830745272346
Energy: 1.0371225798233341
Energy: 1.0363856211011993
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Energy: 1.1029999268728266
Energy: 1.0395073633525147
Energy: 1.0258602854623677
Energy: 1.0370690744502653
Energy: 1.0514193702643293
Energy: 1.041514945332247
Energy: 1.0385883200347932
Energy: 1.0417517189176129
Energy: 1.1242039106574622
Energy: 1.104411945176583
Energy: 1.039463052027674
Energy: 1.0383202656941726
Energy: 1.0405671686652698
Energy: 1.123524227182331
Energy: 1.1286598146308695
Energy: 1.1250500408661857
Energy: 1.023553248551507
Energy: 1.0251804203751576
Energy: 1.0377335870195636
Energy: 1.1271884954240348
Energy: 1.1240585900780224
Energy: 1.0229102935204764
Energy: 1.0258007248354095
Energy: 1.0379675782718416
Energy: 1.1044441093087376
Energy: 1.0404335805670795
Energy: 1.0259907045068513
Energy: 1.0220757368188853
Energy: 1.0435059550437904
Energy: 1.0490543381726698
Energy: 1.0380607908078572
Energy: 1.025883611125401
Energy: 1.0230736103032552
Energy: 1.0413239002430823
Energy: 1.0400297168746349
Energy: 1.040003517696149
Energy: 1.1246447634444159
Energy: 1.0477081820214518
Energy: 1.040032166546854
Energy: 1.0266899749592497
Energy: 1.0396781454003186
Energy: 1.1234080313388137
Energy: 1.0476622690188586
Energy: 1.0429349326240522
Energy: 1.0412205611386847
Energy: 1.1275154843471542
Energy: 1.0211923466832313
Energy: 1.0505963840242694
Energy: 1.0406070101119402
Energy: 1.0430734703833362
Energy: 1.0478292101730386
Energy: 1.021411346745659
Energy: 1.0496438809266353
Energy: 1.0406081022923883
Energy: 1.0400655255908453
Energy: 1.0508625756213208
Energy: 1.0999325219247145
Energy: 1.0496726648445933
Energy: 1.0215703957157736
Energy: 1.0260737933159154
Energy: 1.089923649471174
Energy: 1.1004175974460104
Energy: 1.0475660604950885
Energy: 1.0199663023314416
Energy: 1.0262360826491268
Energy: 1.0396126393542466
Energy: 1.0258622129825907
Energy: 1.0362710762421765
Energy: 1.0247799320708235
Energy: 1.107377366055588
Energy: 1.0395330416797537
Energy: 1.036369312401334
Energy: 1.036248560355216
Energy: 1.0240063634292884
Energy: 1.0417519747331847
Energy: 1.0429547900740341
Energy: 1.0412067406234666
Energy: 1.1011846776866836
Energy: 1.1269125783220513
Energy: 1.0463021824230292
Energy: 1.0438102081167009
Energy: 1.042360965767282
Energy: 1.1057219625184809
Energy: 1.0492363875435902
Energy: 1.0391307277151274
Energy: 1.02399506374902
Energy: 1.049180440006369
Energy: 1.0393410725071346
Energy: 1.0427041116855487
Energy: 1.106412079194865
Energy: 1.0242348745102812
Energy: 1.0495240583904522
Energy: 1.0209435929082018
Energy: 1.042924082613494
Energy: 1.105600940907203

minimum gb energy = 1.0182698193446067 eV
minimum distance =  2.32047413365602 Angstroms
sigma value = 15


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

Energy: 1.7498250690375146
Energy: 1.1539391049880199
Energy: 1.1223605886955437
Energy: 1.0391280408696302
Energy: 1.0399012967824035
Energy: 1.1721357697042158
Energy: 1.1702150257242778
Energy: 1.126750117807593
Energy: 1.0376376276247432
Energy: 1.1675391063479672
Energy: 1.02049912206083
Energy: 1.0904788939748025
Energy: 1.0879707359509343
Energy: 1.0894605973794795
Energy: 1.1329109616245499
Energy: 1.0173249448512265
Energy: 1.0886653650674298
Energy: 1.0859433436538422
Energy: 1.0772075050971377
Energy: 1.0386705336591964
Energy: 1.1857242681360385
Energy: 1.0736367178918507
Energy: 1.0730894318670954
Energy: 1.1185021453948971
Energy: 1.2058554894898572
Energy: 1.1744256194172147
Energy: 1.1059912478472926
Energy: 1.0356878583618618
Energy: 1.098361960972369
Energy: 1.1785997922044131
Energy: 1.100296328859165
Energy: 1.042987044144224
Energy: 1.1147420996467445
Energy: 1.2105658497134943
Energy: 1.2001139559390515
Energy: 1.120558166875115
Energy: 1.0575901582600435
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Energy: 1.1784707268703662
Energy: 1.2134024867884141
Energy: 1.1470903958861025
Energy: 1.0644571398347058
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Energy: 1.0213865801202144
Energy: 1.1780340861051233
Energy: 1.1353453868418197
Energy: 1.0765906678204749
Energy: 1.039069219625926
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Energy: 1.054877989278674
Energy: 1.0376179054259962
Energy: 1.037722102902513
Energy: 1.1937692221905343
Energy: 1.247767981283841
Energy: 1.0467922431613395
Energy: 1.038276621863619
Energy: 1.0382466495482527
Energy: 1.2276371418791143
Energy: 1.3596825456101485
Energy: 1.0403560437093693
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Energy: 1.049074802019514
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Energy: 1.1082011999609058
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Energy: 1.0385635767864574
Energy: 1.039719766416066
Energy: 1.0376860442562095
Energy: 1.1800717588119907
Energy: 1.0432533858150677
Energy: 1.0402170911974744
Energy: 1.0486485169659578
Energy: 1.0659628224904116
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Energy: 1.0419459424101503
Energy: 1.0388170522332572
Energy: 1.0628386587595993
Energy: 1.07153685235096
Energy: 1.0910933694683582
Energy: 1.0362124610727466
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Energy: 1.0354364182073161
Energy: 1.2482432304911701
Energy: 1.1197097747661608
Energy: 1.1376513209285537
Energy: 1.0505529877134707
Energy: 1.1311523330087716
Energy: 1.0325944867527548
Energy: 1.0629377630740071
Energy: 1.0601774018666896
Energy: 1.0615886181474525
Energy: 1.0682043698703443
Energy: 1.0331793719028068
Energy: 1.0619789070176118
Energy: 1.059885102801892
Energy: 1.062352914027457
Energy: 1.1165845673271855
Energy: 1.0781981372068308
Energy: 1.0590292510163195
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Energy: 1.0601554912134172
Energy: 1.1092290280060124
Energy: 1.10109107723424
Energy: 1.059672511106988
Energy: 1.057812272412935
Energy: 1.0603157454672416
Energy: 1.2053393856234393
Energy: 1.0801731860281498
Energy: 1.0484944184506872
Energy: 1.0166836513457775
Energy: 1.058895699789634
Energy: 1.204948806189182
Energy: 1.081499825183124
Energy: 1.0290056114291046
Energy: 1.0167166900753954
Energy: 1.0649019540897955
Energy: 1.1073773372870082
Energy: 1.0806302554319114
Energy: 1.0613978909014854
Energy: 1.0405211568633608
Energy: 1.0425479137662794
Energy: 1.1098935045431577
Energy: 1.1339669991418766
Energy: 1.0601517890268959
Energy: 1.034248855573741
Energy: 1.1227152228180266
Energy: 1.08496131714261
Energy: 1.0775609021877448
Energy: 1.160760206921292
Energy: 1.0784606088378075
Energy: 1.0599444094862955
Energy: 1.0853568261368705
Energy: 1.0703676032335534
Energy: 1.0147897927556544
Energy: 1.0783770343711139
Energy: 1.0590439482905483
Energy: 1.0380908852129676
Energy: 1.1206451211736066
Energy: 1.1943614772848006
Energy: 1.0646270617443698
Energy: 1.0638187109125863
Energy: 1.0387603512505037
Energy: 1.1354018266511299
Energy: 1.19531417408406
Energy: 1.0786151315847312
Energy: 1.0908627160204845
Energy: 1.0838545923977498
Energy: 1.2001587353236918
Energy: 1.0647435222965993
Energy: 1.1174543907421441
Energy: 1.0990039518013766
Energy: 1.2191195951907898
Energy: 1.1986060961514748
Energy: 1.0640753103236282
Energy: 1.117886430120501
Energy: 1.0197531068204442
Energy: 1.0212893269000585
Energy: 1.1247643604069752
Energy: 1.278336437827057
Energy: 1.1992480871893065
Energy: 1.1211340067927182
Energy: 1.0221702402560306
Energy: 1.1556431741484932
Energy: 1.2009036726986155
Energy: 1.2000157845007344
Energy: 1.1244567952976423
Energy: 1.166237084274119
Energy: 1.2279633946653108
Energy: 1.190278293201924
Energy: 1.1136726279395073
Energy: 1.0440305745751075
Energy: 1.146507770738306
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Energy: 1.1909432033583114
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Energy: 1.0476834540016935
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Energy: 1.0851504239149075
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Energy: 1.1104240994851193
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Energy: 1.06023534466425
Energy: 1.0513290401174544
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Energy: 1.0442533313700297
Energy: 1.042107806257086
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Energy: 1.0390132307885154
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Energy: 1.0983735975073277
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Energy: 1.0827307574186862
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Energy: 1.0844489913948352
Energy: 1.0838327990122996
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Energy: 1.077845951788876
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Energy: 1.0500605935530447
Energy: 1.1879224821884355
Energy: 1.0593674399719017
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Energy: 1.059745184964007
Energy: 1.2122160073055546
Energy: 1.2033091502043047
Energy: 1.1440494834854762
Energy: 1.1927200699420673
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Energy: 1.190539449471564
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Energy: 1.1062653443308232
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Energy: 1.217180247545526
Energy: 1.0687836659850767
Energy: 1.0692379083903463
Energy: 1.1056364905015899
Energy: 1.128811287389398
Energy: 1.1935945236906007
Energy: 1.038781684963086
Energy: 1.0389776726927784
Energy: 1.2135237260891827
Energy: 1.1903705902291215
Energy: 1.1903150797852156
Energy: 1.0389252644077158
Energy: 1.038929145224129
Energy: 1.2207538479730518
Energy: 1.3584897969535512
Energy: 1.0408692714134158
Energy: 1.0431126632993228
Energy: 1.040087652450876
Energy: 1.0807367812854694
Energy: 1.1212949161439514
Energy: 1.0403000127064919
Energy: 1.0428841397599986
Energy: 1.0391474250002752
Energy: 1.058176955088562
Energy: 1.1530867845798933
Energy: 1.042850156879578
Energy: 1.0405519200315887
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Energy: 1.0319306979926053
Energy: 1.1536122390926002
Energy: 1.0421756646447458
Energy: 1.0399655090763018
Energy: 1.0471073861266544
Energy: 1.0658018892046133
Energy: 1.09974287380808
Energy: 1.133383055301436
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Energy: 1.118359911529545
Energy: 1.1239124191195655
Energy: 1.0616179641560237
Energy: 1.089478200088953
Energy: 1.0562219408285445
Energy: 1.1187317871231877
Energy: 1.1244529705736452
Energy: 1.0909578814462952
Energy: 1.0460808781209647
Energy: 1.1886049148981295
Energy: 1.0884380767252655
Energy: 1.060705462947047
Energy: 1.0624596120110792
Energy: 1.0539980070584007
Energy: 1.1877693999428642
Energy: 1.0632374485935907
Energy: 1.060476324943946
Energy: 1.0628055627525876
Energy: 1.1134771323373118
Energy: 1.0910553132517562
Energy: 1.0583945699759834
Energy: 1.0604323667406046
Energy: 1.0602492173854805
Energy: 1.1064192370973251
Energy: 1.0871084344912778
Energy: 1.0593161178443933
Energy: 1.060786873697763
Energy: 1.0605363808249326
Energy: 1.2054852616213019
Energy: 1.0721941602213052
Energy: 1.0458177873840984
Energy: 1.0247594998998955
Energy: 1.0603776400887868
Energy: 1.2046459983974995
Energy: 1.0864686323315322
Energy: 1.0286821971150573
Energy: 1.0255742105751449
Energy: 1.0596918939019215
Energy: 1.108928943282703
Energy: 1.0218638100916368
Energy: 1.0601709440163867
Energy: 1.0401953316425279
Energy: 1.1038500243499185
Energy: 1.1098698486140945
Energy: 1.0415706657121853
Energy: 1.063220502575951
Energy: 1.0429456906872812
Energy: 1.0997572145640693
Energy: 1.0833220740673408
Energy: 1.0955931940442158
Energy: 1.1492114242670333
Energy: 1.0600223063385859
Energy: 1.0587817421558847
Energy: 1.083349001672931
Energy: 1.0966897263486184
Energy: 1.0423255494082275
Energy: 1.0547841048050146
Energy: 1.0584119764982785
Energy: 1.0525492660194449
Energy: 1.1106518866542403
Energy: 1.1948975592645492
Energy: 1.0631994419338384
Energy: 1.096861489352661
Energy: 1.0545650683156462
Energy: 1.1160036608953035
Energy: 1.1950034437559875
Energy: 1.0630870408765065
Energy: 1.0975220464935225
Energy: 1.2144464629402714
Energy: 1.1970863815502641
Energy: 1.1955460352729714
Energy: 1.1977637132284016
Energy: 1.0852153451638882
Energy: 1.2150281376353913
Energy: 1.196177532354136
Energy: 1.1948487470065239
Energy: 1.1987906733975282
Energy: 1.0196439869677036
Energy: 1.022261167177125
Energy: 1.1890120245578062
Energy: 1.0948247526629429
Energy: 1.2065837973746982
Energy: 1.1391038247006755
Energy: 1.097085900905524
Energy: 1.1433068699961766
Energy: 1.0955059790071688
Energy: 1.203976393661139
Energy: 1.0676860546335156
Energy: 1.218966495899981
Energy: 1.1906266880600462
Energy: 1.1888662894299293
Energy: 1.1304616756617325
Energy: 1.0416263886423471
Energy: 1.2052803855536056
Energy: 1.190413369093188
Energy: 1.188985854684767
Energy: 1.117305253688303
Energy: 1.039004682383613
Energy: 1.0394535346987075
Energy: 1.174131704865049
Energy: 1.0477132703683687
Energy: 1.039525128616555
Energy: 1.046389764753949
Energy: 1.0402379505323076
Energy: 1.1990283077010653
Energy: 1.0460729172713124
Energy: 1.041852261297227
Energy: 1.0451111014316148
Energy: 1.0477444440902108
Energy: 1.1239587423737782
Energy: 1.0718320497460228
Energy: 1.0383255418512565
Energy: 1.0401412359339732
Energy: 1.0902488993180266
Energy: 1.123947744752719
Energy: 1.0861554709040468
Energy: 1.0375854226120427
Energy: 1.0401624684988895
Energy: 1.1733900628798835
Energy: 1.0353408141246996
Energy: 1.0664875827535283
Energy: 1.1230359183095253
Energy: 1.110968909108132
Energy: 1.0750649395368936
Energy: 1.0318984351209783
Energy: 1.047937003840351
Energy: 1.1333357249488132
Energy: 1.1029650075240016
Energy: 1.0440629044325629
Energy: 1.0414360516763161
Energy: 1.0815176127336636
Energy: 1.2447627157060241
Energy: 1.0359602471343003
Energy: 1.016911343959782
Energy: 1.0480918287490275
Energy: 1.1166676394568078
Energy: 1.2458019773336575
Energy: 1.0368792525335464
Energy: 1.0495574880643173
Energy: 1.0519063792322818
Energy: 1.0476950415555466
Energy: 1.0390592922075315
Energy: 1.062724358669047
Energy: 1.0671120946469297
Energy: 1.0658394774883322
Energy: 1.0678988087468455
Energy: 1.0900466370214794
Energy: 1.0558051326193745
Energy: 1.0541827237345258
Energy: 1.0900247107697485
Energy: 1.2089642270095768
Energy: 1.2080738419950376
Energy: 1.1561392697046162
Energy: 1.0196176138238278
Energy: 1.110794675252683
Energy: 1.2075266951609784
Energy: 1.0783862705770026
Energy: 1.0786281868633207
Energy: 1.070415479818274
Energy: 1.129190890173156
Energy: 1.0737909137427075
Energy: 1.036816684904613
Energy: 1.0123087627802192
Energy: 1.0356077902281335
Energy: 1.0899275646763043
Energy: 1.14180542107244
Energy: 1.0905323997068532
Energy: 1.0241049363126256

minimum gb energy = 1.0123087627802192 eV
minimum distance =  2.28515252308607 Angstroms
sigma value = 437


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

Energy: 1.3857780381922078
Energy: 0.9810700994731327
Energy: 1.1183860250162254
Energy: 0.9812095883037973
Energy: 0.9833678092047339
Energy: 1.3834648199809172
Energy: 1.0232608744286613
Energy: 1.1204385230148957
Energy: 0.9836171672788309
Energy: 1.0780570983327027
Energy: 0.9569011351482938
Energy: 1.102071937085184
Energy: 1.1434047549899753
Energy: 1.1528596407708394
Energy: 1.082816045007888
Energy: 0.9604460258670499
Energy: 1.1003983227410794
Energy: 1.1454441110722051
Energy: 1.0994293839462435
Energy: 0.99407504193566
Energy: 1.0607436212839445
Energy: 1.073744291051025
Energy: 1.0978829434567123
Energy: 0.9953168419495337
Energy: 1.0565776624803902
Energy: 1.0601769482639147
Energy: 1.0747792219019632
Energy: 1.0967448252395107
Energy: 0.995020386414605
Energy: 1.0579670013894957
Energy: 0.9936110957557274
Energy: 0.9977400835001592
Energy: 1.0929147357403743
Energy: 1.0619734281193547
Energy: 1.0557809609822146
Energy: 0.9949786312772976
Energy: 0.9957137902863751
Energy: 1.0931784052225975
Energy: 1.061274838608328
Energy: 1.0607532929389718
Energy: 0.9895716242273881
Energy: 1.0982640799614374
Energy: 0.9967842895260788
Energy: 0.9989028815624583
Energy: 0.9923864703047123
Energy: 0.9891305444040976
Energy: 1.0932554495551334
Energy: 0.9995952499156657
Energy: 0.995994033862244
Energy: 0.9579896537272933
Energy: 1.0184074496696978
Energy: 0.993296764008339
Energy: 0.9588751542441271
Energy: 0.992583301904168
Energy: 1.0459375589433741
Energy: 1.0187203470693575
Energy: 0.9932138154675137
Energy: 0.9583479544043476
Energy: 0.9935870111460374
Energy: 1.3859219081181555
Energy: 1.0653866649097603
Energy: 1.0588097292799747
Energy: 1.055593483779462
Energy: 0.9957905373420137
Energy: 1.0027909362603464
Energy: 1.0634809042237396
Energy: 1.0570237948660792
Energy: 1.0573188550474732
Energy: 0.9959955621618796
Energy: 1.003451507119993
Energy: 1.0755687757166221
Energy: 1.058690147004681
Energy: 0.9931767385263994
Energy: 0.996688676962023
Energy: 1.1004615021023023
Energy: 1.0736357833982728
Energy: 1.0569607410700075
Energy: 0.9941528526677601
Energy: 0.9948627726846823
Energy: 1.1006522662720601
Energy: 0.9930185477581996
Energy: 1.094100575826613
Energy: 1.023774946320984
Energy: 1.0038975614691814
Energy: 0.993216911062507
Energy: 0.9917836479819889
Energy: 1.0929036772760654
Energy: 1.0236142652617972
Energy: 1.0030338829607937
Energy: 0.992031409773541
Energy: 0.9608051692349188
Energy: 0.9928733748332229
Energy: 0.964531413410758
Energy: 0.9644357877831546
Energy: 1.024868094903665
Energy: 1.0589261324586432
Energy: 0.9894079634485192
Energy: 0.9658653265885215
Energy: 0.9661702193788357
Energy: 1.0284575027835419
Energy: 0.9614211141259116
Energy: 0.96017481581313
Energy: 0.9634471629929037
Energy: 1.041404102883306
Energy: 0.9606798536965329
Energy: 0.9599275052747026
Energy: 0.9594054027865626
Energy: 1.0232387765624165
Energy: 1.0409067259706868
Energy: 0.9935897375801439
Energy: 0.9629875176911205
Energy: 0.965217448931573
Energy: 0.9645312732319037
Energy: 1.0772243331863425
Energy: 0.962669525531034
Energy: 0.9623171178247051
Energy: 0.9665778354480528
Energy: 0.9655913192516921
Energy: 1.1070248718543103
Energy: 0.9617465382829129
Energy: 0.961201567498516
Energy: 0.9637553157485407
Energy: 1.0143970173711463
Energy: 1.0947537617568353
Energy: 0.9621943677367266
Energy: 0.9616105627027987
Energy: 0.9689366956643309
Energy: 1.258056970589561
Energy: 1.0947971042063958
Energy: 0.9607971753193684
Energy: 1.1535681370576114
Energy: 0.9681597083887391
Energy: 1.1304013767672716
Energy: 0.9683212990705884
Energy: 0.9682682908209376
Energy: 1.1563781906800779
Energy: 0.9650125679818526
Energy: 1.044056381029006
Energy: 0.9683438626729735
Energy: 1.0142768281147196

minimum gb energy = 0.9569011351482938 eV
minimum distance =  2.34711228893038 Angstroms
sigma value = 33