Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.878740459680557
cohesive_energy=3.900576668706534
mass=106.42
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=[1.1666153029872959e-19, 1.8396512546914799e-19, 2.40457873583988e-19, 2.89090343132424e-19, 3.31797963488328e-19, 3.69671816939454e-19, 4.0345210909070993e-19, 4.3367717129111996e-19, 4.60765171642158e-19, 4.850942238294479e-19, 5.07015204535836e-19, 5.2660341606311995e-19, 5.43950182479438e-19, 5.5925577586404e-19, 5.72680413880326e-19, 5.84350668482382e-19, 5.94369078974784e-19, 6.02828571602304e-19, 6.098108573732759e-19, 6.153880342362299e-19, 6.19627393609794e-19, 6.22586613852792e-19, 6.243249755006819e-19, 6.24892146029118e-19, 6.2428011455493e-19, 6.22295017705404e-19, 6.186773028658319e-19, 6.130953194729759e-19, 6.05148523368336e-19, 5.94380294211222e-19, 5.80237881062904e-19, 5.620499719137359e-19, 5.38983434914038e-19, 5.100176835479519e-19, 4.73882191744716e-19, 4.2899080463667e-19, 3.7337765149389597e-19, 3.04568971593498e-19, 2.1919538747417396e-19, 1.129290996121632e-19, -1.9763970304033798e-20, -1.8625463587913397e-19, -3.9650026467578396e-19, -6.64151882268654e-19, -1.0084388126190119e-18, -1.4565660149721779e-18, -2.0477419559154e-18, -2.8424696316784195e-18, -3.93334363647e-18, -5.46946252785018e-18, -7.70163103610532e-18, -1.10768884856541e-17, -1.64389731354936e-17, -2.5484702193394197e-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: -2.94648931732711e-25 eV

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

Energy: 0.014783253656996356
Energy: 0.019055165175775986
Energy: 0.10916893277698078
Energy: 0.10880735539019959
Energy: 0.018258976149909276
Energy: 0.016163564659768703
Energy: 0.10727437664876559
Energy: 0.10935662890263172
Energy: 0.10852755718498336
Energy: 0.017543895569003293
Energy: 0.015549092579092805
Energy: 0.10695204820398604
Energy: 0.10752398562978574
Energy: 0.10866692589151179
Energy: 0.1100271586792142
Energy: 0.10764986141411892
Energy: 0.10712080362713945
Energy: 0.10725526051434502
Energy: 0.10825647630781471
Energy: 0.10937039753081576
Energy: 0.10988272616339985
Energy: 0.01840873876183165
Energy: 0.015287253120681374
Energy: 0.10757330530235566
Energy: 0.10803711384818201
Energy: 0.10967041464178609
Energy: 0.017521441969398022
Energy: 0.01526625379256719
Energy: 0.10729574081580584
Energy: 0.10864678850173518
Energy: 0.10824506189010341
Energy: 0.0156610084243272
Energy: 0.01597778170861452
Energy: 0.10697593956480175
Energy: 0.10755337558067507
Energy: 0.10896868397178644
Energy: 0.015748944794911363
Energy: 0.015347590663022112
Energy: 0.10665281331763982
Energy: 0.10710114193801379
Energy: 0.10800129430934612
Energy: 0.10845565807947316
Energy: 0.11030668422319373
Energy: 0.016462995663923213
Energy: 0.01539631786312236
Energy: 0.10740149711503202
Energy: 0.10903854202626546
Energy: 0.10975949649455902
Energy: 0.017500835385167637
Energy: 0.10696540571298939
Energy: 0.10705618281958192
Energy: 0.10737704589942675
Energy: 0.10847281628283109
Energy: 0.015913102312465656
Energy: 0.015427669274322577
Energy: 0.10710550946526651
Energy: 0.10786850403681016
Energy: 0.10910541523024685
Energy: 0.01578395623489429
Energy: 0.015483334021794287
Energy: 0.015404081904733509
Energy: 0.11030991453782331
Energy: 0.10796420612576506
Energy: 0.10833376450841056
Energy: 0.11029657973282082
Energy: 0.020403991118780353
Energy: 0.10743654057904604
Energy: 0.10786727985122133
Energy: 0.1089846826375734
Energy: 0.11023384853731806

minimum gb energy = 0.014783253656996356 eV
minimum distance =  2.70555780906401 Angstroms
sigma value = 3


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

Energy: 1.0453141444166782
Energy: 0.8512648521019417
Energy: 0.8910518979512422
Energy: 0.8688335379375669
Energy: 0.8671210214242295
Energy: 0.9407786995812397
Energy: 0.8668245246397269
Energy: 0.8913596650134576
Energy: 0.8690046411807579
Energy: 0.8511238855254284
Energy: 0.7931299546376801
Energy: 0.8395046227069319
Energy: 0.87663522184354
Energy: 0.7789435669241407
Energy: 0.6669046246030301
Energy: 0.6649277521719894
Energy: 0.6713252409839638
Energy: 0.8849897817445724
Energy: 0.8002320415476416
Energy: 0.832227000472065
Energy: 0.8390560281799332
Energy: 0.8965481579117468
Energy: 0.7626736612791347
Energy: 0.7853730719531217
Energy: 0.8346086288560635
Energy: 0.6641178363489577
Energy: 0.8636992609907428
Energy: 0.7581464541269628
Energy: 0.8239788452630339
Energy: 0.8236685416810895
Energy: 0.8343181034175138
Energy: 0.9626916870207086
Energy: 0.88540319308485
Energy: 0.6690098670544761
Energy: 0.8371041048002482
Energy: 0.6651810092346768
Energy: 0.8776860457010695
Energy: 0.8841820335842174
Energy: 0.6718786848979342
Energy: 0.8239699373844784
Energy: 0.8381697952176265
Energy: 0.8610713044083744
Energy: 0.9437221733630264
Energy: 0.827541056360663
Energy: 0.6696235513658143
Energy: 0.6719058142698041
Energy: 0.8542053614462859
Energy: 0.7898953504042674
Energy: 0.7810632354463938
Energy: 0.6734357090282135
Energy: 0.9064989683345865
Energy: 0.8600961508712031
Energy: 0.960122030503156
Energy: 0.8273110719615527
Energy: 0.9344425594782526
Energy: 0.9043218862448218
Energy: 0.8592493069697508
Energy: 0.7960768038912241
Energy: 0.6666908768731579
Energy: 0.8900411740749121
Energy: 0.894370683196794
Energy: 0.8374826727149709
Energy: 0.8354837201030244
Energy: 0.6724759427483612
Energy: 0.800274864415517
Energy: 0.8824834247599881
Energy: 0.7772671208819628
Energy: 0.8718514659847924
Energy: 0.6657584322244994
Energy: 0.7783844699748638
Energy: 0.9114957116837386
Energy: 0.8736879160828109
Energy: 0.8641871002754502
Energy: 0.8519798081439895
Energy: 0.8662207037676516
Energy: 0.8761485083598023
Energy: 0.8678330142482891
Energy: 0.9347080868869337
Energy: 0.8701911606953028
Energy: 0.8703869597884268
Energy: 0.8015092452979484
Energy: 0.80052787088317
Energy: 0.6716633578196006
Energy: 0.8262156148650333
Energy: 0.8791717614646914
Energy: 0.7943330551593694
Energy: 0.7761162657890525
Energy: 0.6720245207071535
Energy: 0.6650475054010906
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Energy: 0.8258178757383934
Energy: 0.8258832059330199
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Energy: 0.8924670113793848
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Energy: 0.66727417310042
Energy: 0.777085164403394
Energy: 0.7716974466232028
Energy: 0.9220265600768254
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Energy: 0.6683606707037891
Energy: 0.6644974795066687
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Energy: 0.6672218744230551
Energy: 0.6729635393083117
Energy: 0.6727600534965145
Energy: 0.9375396858756367
Energy: 0.9413387097766763
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Energy: 0.6718719817318757
Energy: 0.6666431787387775
Energy: 0.6692858670760217
Energy: 0.8615346513562635
Energy: 0.797354273664414
Energy: 0.7805882090294414
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Energy: 0.8827812198324881
Energy: 0.8686724719807034
Energy: 0.98631126744187
Energy: 0.8282928187563054
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Energy: 0.8625442338670499
Energy: 0.6647779513128869
Energy: 0.6680152624762884
Energy: 0.7773851867395339
Energy: 0.9524728113019282
Energy: 0.8378751711109608
Energy: 0.6655029140641601
Energy: 0.8331914259392362
Energy: 0.7999739003220901
Energy: 0.9328251468796626
Energy: 0.6686074572228389
Energy: 0.9429911712931224
Energy: 0.8670663859845875
Energy: 0.8895957988694759
Energy: 0.871065740065716
Energy: 0.8646142224550712
Energy: 0.9256383012012087
Energy: 0.869026278499868
Energy: 0.8761771883218384
Energy: 0.8691040799693023
Energy: 0.8765315523188695
Energy: 0.6648202343731479
Energy: 0.6660894676591929
Energy: 0.8826533101299564
Energy: 0.7993916715794913
Energy: 0.8355079491630933
Energy: 0.8014581370571876
Energy: 0.8712199981000356
Energy: 0.8796120323117287
Energy: 0.7787752027101914
Energy: 0.6662356203212726
Energy: 0.6646290309364138
Energy: 0.7676917751615374
Energy: 0.7608238105198196
Energy: 0.8248823298956457
Energy: 0.8223037017896635
Energy: 0.8364006371238123
Energy: 0.7681994841263445
Energy: 0.7554593585426249
Energy: 0.7836906518741067
Energy: 0.6651284716585653
Energy: 0.6651859236634471
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Energy: 0.8844928277519545
Energy: 0.8107702678607407
Energy: 0.7410327483758837
Energy: 0.8351577309000493
Energy: 0.7620848164227665
Energy: 0.7690768709754535
Energy: 0.664709769183829
Energy: 0.741371921794188
Energy: 0.6670148137474319
Energy: 0.8874553081674368
Energy: 0.790585438612973
Energy: 0.8772017782198386
Energy: 0.6746029749426957
Energy: 0.8371780869482415
Energy: 0.9590625184776094
Energy: 0.9494210305586281
Energy: 0.9364836373015188
Energy: 0.6674171171755636
Energy: 0.9020851804095118
Energy: 0.8855972748793028
Energy: 0.7977400204481939
Energy: 0.8381886926359772
Energy: 0.9542745000682287
Energy: 0.8633288712742597
Energy: 0.8867929270287409
Energy: 0.9588313268485846
Energy: 0.8619359784719481
Energy: 0.9390739110022897
Energy: 0.8984646267691202
Energy: 0.7886339481889162
Energy: 0.8714300834027929
Energy: 0.6663606157084448
Energy: 0.7784998046908618
Energy: 0.8985137930044736
Energy: 0.8709562261475147
Energy: 0.7979106111105212
Energy: 0.8287263380987234
Energy: 0.8080585393280721
Energy: 0.9150804955152854
Energy: 0.8771955072580631
Energy: 0.9024473371704957
Energy: 0.6657518372899244
Energy: 0.8688810485811145
Energy: 0.909084266803338
Energy: 0.8787387936732601
Energy: 0.8384069439493708
Energy: 0.7979796218980805
Energy: 0.8652899769009831
Energy: 0.7787059124653469
Energy: 0.7773314976986188
Energy: 0.6730250633518996
Energy: 0.6657985742685489
Energy: 0.8619399653578657
Energy: 0.7998967455291998
Energy: 0.7997567769245156
Energy: 0.7875355267272036
Energy: 0.8266259020742287
Energy: 0.8713852173108787
Energy: 0.779198718928993
Energy: 0.7836644341622734
Energy: 0.6682220127752919
Energy: 0.6705258853000099
Energy: 0.892505834712956
Energy: 0.8096267341985641
Energy: 0.8289219643402751
Energy: 0.6718406429063589
Energy: 0.6734656198349109
Energy: 0.7653463572353014
Energy: 0.8022228453481317
Energy: 0.6651496936227906
Energy: 0.8579982624235561
Energy: 0.6645171723325898
Energy: 0.7972332786908924
Energy: 0.7774379141613377
Energy: 0.8319769433794444
Energy: 0.8351806230070992
Energy: 0.8472352660248603
Energy: 0.7665615956478382
Energy: 0.8250468090517286
Energy: 0.6674218751271732
Energy: 0.6681365306947983
Energy: 0.6697898035036441
Energy: 0.8797104398648189
Energy: 0.6660277930573271
Energy: 0.6741108604799949
Energy: 0.6710788249167009
Energy: 0.8515748511457918
Energy: 0.9410367542289302
Energy: 0.9879299237174296
Energy: 0.8778452602516147
Energy: 0.9441232907843918
Energy: 0.8877536140930314
Energy: 0.8646169269641591
Energy: 0.6700419524497061
Energy: 0.8407548089284643
Energy: 0.7871225512660668
Energy: 0.887279972159499
Energy: 0.866026497722565
Energy: 0.6738943395656628
Energy: 0.8289289769717325
Energy: 0.8011545214171706
Energy: 0.7885486786787226
Energy: 0.6736359291624852
Energy: 0.6649148560317095
Energy: 0.6680403992303592
Energy: 0.7790135882957911
Energy: 0.7900778293479469
Energy: 0.8378732626018068
Energy: 1.0459335153433449
Energy: 0.8704607895815354
Energy: 0.874506848576874
Energy: 0.8816469415162406
Energy: 0.8605279071742781
Energy: 0.8853065691892491
Energy: 0.8671197660713272
Energy: 0.9062464031899704
Energy: 0.8701196241113454
Energy: 0.918195091473587

minimum gb energy = 0.6641178363489577 eV
minimum distance =  2.54047985781857 Angstroms
sigma value = 75


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

Energy: 1.315709242380178
Energy: 0.7799233660999914
Energy: 0.789112706055993
Energy: 0.7999182126371327
Energy: 0.7726954813130559
Energy: 0.7724769762953538
Energy: 0.7810792047057404
Energy: 0.8019717708421645
Energy: 0.8151620383735215
Energy: 0.7736577138532704
Energy: 0.8137897101893931
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Energy: 0.8048950281073006
Energy: 0.8031265983975631
Energy: 0.7831684266192139
Energy: 0.8311355612827587
Energy: 0.8098081293906572
Energy: 0.8183796013886103
Energy: 0.8349241037063012
Energy: 0.8037567920014664
Energy: 0.8999458814557209
Energy: 0.8931146933592093
Energy: 0.9442513772497766
Energy: 0.8084249919111964
Energy: 0.7769577632963782
Energy: 0.8649098275712267
Energy: 0.8926475724757704
Energy: 0.9440482203818371
Energy: 0.8400922566872543
Energy: 0.8159853696174484
Energy: 0.8496000471981738
Energy: 0.8120700022372963
Energy: 0.8277821166218786
Energy: 0.7932682866608753
Energy: 0.77108547080192
Energy: 0.8244985263707304
Energy: 0.8201489667796066
Energy: 0.7992519694770561
Energy: 0.8021272259972809
Energy: 0.7767311498149778
Energy: 0.8070915951996346
Energy: 0.8480916298834731
Energy: 0.8038421857567166
Energy: 0.8406117352892243
Energy: 0.8010551187490003
Energy: 0.8091298087455866
Energy: 0.8105542921247166
Energy: 0.9044188112733331
Energy: 0.8329124096308917
Energy: 0.7898753944536943
Energy: 0.7855051196582925
Energy: 0.8033070925665811
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Energy: 0.8030669868697389
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Energy: 0.8185444729786132
Energy: 0.798368420364728
Energy: 0.8123045618917341
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Energy: 0.80458314879448
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Energy: 0.8048625590995301
Energy: 0.8218787777990906
Energy: 0.8055518521577233
Energy: 0.7854987325652076
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Energy: 1.0431372581391603
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Energy: 0.8810347510137007
Energy: 1.0434848552263305
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Energy: 0.7753973971612589
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Energy: 0.7862307967217737
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Energy: 0.8093645949931877
Energy: 0.7845670095510543
Energy: 0.8193193544845253
Energy: 0.7926615028934342
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Energy: 0.8131456533930261
Energy: 0.8005879979465471
Energy: 0.8777720227136006
Energy: 0.8141358079449739
Energy: 0.8242791601432515
Energy: 0.8167914272586845
Energy: 0.805811324316837
Energy: 0.8566206331248889
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Energy: 0.7950719524040608
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Energy: 0.8903384433785911
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Energy: 0.7962529242973576
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Energy: 0.880534116724535
Energy: 0.8085824883084954
Energy: 0.8050597195887383
Energy: 0.8073601765712338
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Energy: 0.8300936156062574
Energy: 0.8217653345750644
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Energy: 0.8707931749757379
Energy: 0.8046338382583599
Energy: 0.8352976568382224
Energy: 0.8397623655840564
Energy: 0.7914369260389524
Energy: 0.8101995205584439
Energy: 0.7827824896871134
Energy: 0.9577621504603064
Energy: 0.7952929343163636
Energy: 0.7789954445917449
Energy: 0.8170747555716414
Energy: 0.7870216805669937
Energy: 0.792772760126493
Energy: 0.8035538916218143
Energy: 0.807007587521836
Energy: 0.8132785533299038
Energy: 0.8084174135532707
Energy: 0.7997229265826342
Energy: 0.8123430547026935
Energy: 0.8028353849827721
Energy: 0.8156470492751788
Energy: 0.8205526843468687
Energy: 0.7952522884381771
Energy: 0.8337954690538986
Energy: 0.8181606226319346
Energy: 0.8107115457596137
Energy: 0.8943097571941061
Energy: 0.8187229645493818
Energy: 0.8133769284874433
Energy: 0.8017042763284443
Energy: 0.8083469041545316
Energy: 0.8630233422780862
Energy: 0.7742444428276939
Energy: 0.8026972353846039
Energy: 0.7772493146403251
Energy: 0.8851215933148138
Energy: 0.9017615563827529
Energy: 0.7872871993353012
Energy: 0.7868412504574117
Energy: 0.7772223020767671
Energy: 0.8847317325110607
Energy: 0.8877496033348996
Energy: 0.749590293821439
Energy: 0.8385342155870847
Energy: 0.8123878491347813
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minimum gb energy = 0.749590293821439 eV
minimum distance =  2.51766447610748 Angstroms
sigma value = 105


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

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Energy: 0.8208023674768518
Energy: 0.821201947850803
Energy: 0.8212715448030335
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Energy: 0.8488284424472754
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Energy: 0.8121632788900883
Energy: 0.8006374971034558
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Energy: 0.8157803984823834
Energy: 0.8654040749099292
Energy: 0.8390520461259903
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Energy: 0.8625814369343859
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Energy: 0.8366163363828265
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Energy: 0.8284133487817518
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Energy: 0.8627749226528668
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Energy: 0.8253095145919815
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Energy: 0.8403211835132265
Energy: 0.8254113204530024
Energy: 0.8320834643968807
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Energy: 0.8362905491907113
Energy: 0.8263236665662864
Energy: 0.82807703526557
Energy: 0.8350025172305562
Energy: 0.8234588297916534
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Energy: 0.8191594853558862
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Energy: 0.8528663957513468
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Energy: 0.7988811544886635
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Energy: 0.8578478172562536
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Energy: 0.8155694067943742
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Energy: 0.8429254862979053
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Energy: 0.890718656405748
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Energy: 0.8615302473797198
Energy: 0.8823365092603963
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Energy: 0.8113414881714124
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Energy: 0.812552886496935
Energy: 0.8211858202454958
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Energy: 0.8175002357653716
Energy: 0.8306827800341311
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Energy: 0.821027313818125
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Energy: 0.8167674157682119
Energy: 0.8130620159264002
Energy: 0.8108628434399489
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Energy: 0.8602507273050379
Energy: 0.8196579979957074
Energy: 0.8133107073586259
Energy: 0.7958100808495671
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Energy: 0.8439060381569178
Energy: 0.818068035449763
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Energy: 0.8030611732801782
Energy: 0.8599356658364687
Energy: 0.80916934991317
Energy: 0.8066059940873138
Energy: 0.8810432574826378
Energy: 0.8326861923675765
Energy: 0.8095014830260185
Energy: 0.8049805668444165
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Energy: 0.8802963103807895
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Energy: 0.8167396102214385
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Energy: 0.7959187827825633
Energy: 0.8403264451941307
Energy: 0.8288626636320862
Energy: 0.8053474693036192
Energy: 0.8124391600023468
Energy: 0.8068338676841714
Energy: 0.8249880773803445
Energy: 0.840146116749464
Energy: 0.8069707871867989
Energy: 0.8179088611587987
Energy: 0.8178953981573623
Energy: 0.8209740267086068
Energy: 0.8148064736105487
Energy: 0.8070227753347483
Energy: 0.8183710998460947
Energy: 0.8175847753694989
Energy: 0.8237963500227778
Energy: 0.8623906564182914
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Energy: 0.823335209000747
Energy: 0.8212874236069936
Energy: 0.8088065493275958
Energy: 0.8292684147134856
Energy: 0.8522100112920199
Energy: 0.8277561679678063
Energy: 0.8223808084939254
Energy: 0.8118356631755199
Energy: 0.815709653015752
Energy: 0.8650415042597521
Energy: 0.8370408019039496
Energy: 0.8310334957837852
Energy: 0.8209220393472582
Energy: 0.8349821565833272
Energy: 0.8390590158344806
Energy: 0.8631662550880111
Energy: 0.8207981838574226
Energy: 0.8213058829756207
Energy: 0.8276931648968773
Energy: 0.8733383672214801
Energy: 0.8271147128046022
Energy: 0.8282852017648015
Energy: 0.8072105125235854
Energy: 0.8522591139135943
Energy: 0.8111455337671244
Energy: 0.8277271397915014
Energy: 0.8283144006199475
Energy: 0.8187621679392868
Energy: 0.8550697049645519
Energy: 0.7896269496363768
Energy: 0.8304935522736028
Energy: 0.8248778232065059
Energy: 0.8380547615427898
Energy: 0.8559781165985838
Energy: 0.7909332198954504
Energy: 0.8300808154939826
Energy: 0.8250169124545623
Energy: 0.8234227344177457
Energy: 0.8769168369490762
Energy: 0.8080140256043494
Energy: 0.8773837397932345
Energy: 0.8302728965452477
Energy: 0.8404739961158582
Energy: 0.8410914323478452
Energy: 0.8141687353383037
Energy: 0.8888232661993068
Energy: 0.8313120613386418
Energy: 0.8278955483928954
Energy: 0.8521034035115788
Energy: 0.8228580215641288
Energy: 0.8216908491822319
Energy: 0.8482809770251737
Energy: 0.8284122489587755
Energy: 0.8292006538845497
Energy: 0.8041554233737482
Energy: 0.8245689413175071
Energy: 0.7958574013900217
Energy: 0.8287746104704371
Energy: 0.8284125994211464
Energy: 0.8226040468552954
Energy: 0.8777150157964789
Energy: 0.877287449768971
Energy: 0.87520302881302
Energy: 0.8199122070771998
Energy: 0.8013164573935524
Energy: 0.8223558825009578
Energy: 0.8591133745541328
Energy: 0.8316900428089734
Energy: 0.8943233279541913
Energy: 0.813419551767628
Energy: 0.8607638568432456
Energy: 0.8220637260662544
Energy: 0.8202663223338597
Energy: 0.8775697528513808
Energy: 0.8448989418212948
Energy: 0.8591817450217405
Energy: 0.8226184412516658
Energy: 0.8215284437784425
Energy: 0.8867623889720365
Energy: 0.9048265236793137
Energy: 0.8104289549187597
Energy: 0.8228545188493098
Energy: 0.8029787652332508
Energy: 0.893608270408662
Energy: 0.8314829276291935
Energy: 0.8092260123353421
Energy: 0.8248329135388452
Energy: 0.8228387128743007
Energy: 0.8903310436410923
Energy: 0.8480609987745303
Energy: 0.8038927056066558
Energy: 0.834419466841413
Energy: 0.8110729705818328
Energy: 0.9059295310659592
Energy: 0.8109046915572455
Energy: 0.8098830698096923
Energy: 0.8592925875167958
Energy: 0.8115181569941649
Energy: 0.9012270690942639
Energy: 0.8449312740375425
Energy: 0.8218962172201792
Energy: 0.8292515972504862
Energy: 0.8833194294151651
Energy: 0.8040523397000763
Energy: 0.7899008537634474
Energy: 0.8072279344399655
Energy: 0.8177218638156933
Energy: 0.8662569121141402
Energy: 0.8453984244392261
Energy: 0.8352293247577748
Energy: 0.8242290542121905
Energy: 0.8504667391160854
Energy: 0.8462737745094255
Energy: 0.7946080604108526
Energy: 0.7938686554312949
Energy: 0.7954900581713467
Energy: 0.83912863581072
Energy: 0.8083688369734898
Energy: 0.8101701039760856

minimum gb energy = 0.7881396381626785 eV
minimum distance =  2.52104289842188 Angstroms
sigma value = 165


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

Energy: 0.9870318779243381
Energy: 0.7976589801311113
Energy: 0.7694444503583984
Energy: 0.7849946214027981
Energy: 0.7527628718503033
Energy: 0.986936813011691
Energy: 0.7931705538406398
Energy: 0.769443529687218
Energy: 0.7846070947663916
Energy: 0.7525517105034885
Energy: 0.8018384191935375
Energy: 0.7849883190763443
Energy: 0.7878320443424345
Energy: 0.7670620936379636
Energy: 0.7821819063680575
Energy: 0.7888592318780937
Energy: 0.7856353789592303
Energy: 0.7696275264919562
Energy: 0.7677804556241168
Energy: 0.7857662695726656
Energy: 0.7678128770220054
Energy: 0.7822733957587135
Energy: 0.7875781266949622
Energy: 0.7716259673389952
Energy: 0.7700068621112344
Energy: 0.7680353598209646
Energy: 0.7702973008081623
Energy: 0.770037796163235
Energy: 0.77091374604752
Energy: 0.8073548737484934
Energy: 0.7714549934891908
Energy: 0.7671420142160269
Energy: 0.7696332622398441
Energy: 0.7697053026868671
Energy: 0.7697036613559806
Energy: 0.7848155220203518
Energy: 0.7679391866373931
Energy: 0.7695726141394981
Energy: 0.7693938906078686
Energy: 0.7883337316786941
Energy: 0.7830044249012031
Energy: 0.7789343487364114
Energy: 0.7679643770898688
Energy: 0.7763771049658252
Energy: 0.7754566541745254
Energy: 0.7697986294302744
Energy: 0.7644591238241754
Energy: 0.7677209602587538
Energy: 0.7784429111787335
Energy: 0.7777908943261121
Energy: 0.7650238445488498
Energy: 0.8163726991667359
Energy: 0.7714554743487534
Energy: 0.750716499242586
Energy: 0.7921273835873112
Energy: 0.7645524077750027
Energy: 0.7637458258303832
Energy: 0.7694864077655662
Energy: 0.7505795676222865
Energy: 0.7727765781790696
Energy: 0.7854998797437032
Energy: 0.7807291218722736
Energy: 0.7844521752308968
Energy: 0.7676046813049039
Energy: 0.7857403556936382
Energy: 0.7855952182554915
Energy: 0.7949150755628878
Energy: 0.785035141128145
Energy: 0.7853893444843576
Energy: 0.7861938319716067
Energy: 0.767541829242126
Energy: 0.7674486949379458
Energy: 0.7937303166370137
Energy: 0.7726175697862088
Energy: 0.7827001077453982
Energy: 0.8005624853235935
Energy: 0.7673097614194848
Energy: 0.773465414943348
Energy: 0.7688910111005824
Energy: 0.7531545661491886
Energy: 0.7560692965948221
Energy: 0.7823007299064743
Energy: 0.767783220138746
Energy: 0.7752215088908411
Energy: 0.7688167957957401
Energy: 0.755383326767045
Energy: 0.7834535184958887
Energy: 0.7898206764838722
Energy: 0.7688951659722587
Energy: 0.76832370745048
Energy: 0.784357170959079
Energy: 0.784850027665447
Energy: 0.7767265576845949
Energy: 0.769441894767796
Energy: 0.7852809807445243
Energy: 0.7854126196265976
Energy: 0.7853366265436864
Energy: 0.7763654807237989
Energy: 0.7694184165973045
Energy: 0.7854364203698145
Energy: 0.7999161779725585
Energy: 0.7684050928046373
Energy: 0.7693668648104975
Energy: 0.7686610739454909
Energy: 0.7937268049044113
Energy: 0.7696600519948468
Energy: 0.7681433971233763
Energy: 0.7694156809852024
Energy: 0.7852192974498817
Energy: 0.7692664633813986
Energy: 0.768641693855404
Energy: 0.7778549623484053
Energy: 0.7718679171453697
Energy: 0.768009187709666
Energy: 0.8013450968971988
Energy: 0.7705038044160003
Energy: 0.779034607986435
Energy: 0.7707821756988638
Energy: 0.7673164994253854
Energy: 0.8033332962727977
Energy: 0.7647829605555064
Energy: 0.7641979695598988
Energy: 0.7687521647400026
Energy: 0.7832156950664805
Energy: 0.7684271709238976
Energy: 0.7644440525586897
Energy: 0.7637695012065605
Energy: 0.7686246395550304
Energy: 0.78443267544931
Energy: 0.7693035135207312
Energy: 0.7698526342132369
Energy: 0.7830455094382617
Energy: 0.7820889880532863
Energy: 0.75722133364062
Energy: 0.7679877357402458
Energy: 0.7865883041232369
Energy: 0.7816866348845203
Energy: 0.7931102477990877
Energy: 0.7603283565438175
Energy: 0.767943507231484
Energy: 0.7532225044704516
Energy: 0.7707645248286085
Energy: 0.7861436422452592
Energy: 0.7698607898234552
Energy: 0.7804111367394387
Energy: 0.8008688705074569
Energy: 0.7697152178974761
Energy: 0.7867434932235611
Energy: 0.7694674643338612
Energy: 0.7810683257318984

minimum gb energy = 0.7505795676222865 eV
minimum distance =  2.54448381541272 Angstroms
sigma value = 41


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

Energy: 1.2744145130554567
Energy: 0.7081519502024084
Energy: 0.7220148937219171
Energy: 0.7025082739725615
Energy: 0.6881694235473576
Energy: 0.6916173007174116
Energy: 0.7124009018675228
Energy: 0.7251973217150796
Energy: 0.7189773274089616
Energy: 0.7162577708327804
Energy: 0.7313808871522709
Energy: 0.729325136961753
Energy: 0.7031388128012764
Energy: 0.7100598134173453
Energy: 0.697429553859181
Energy: 0.6926718967398938
Energy: 0.7122957599115157
Energy: 0.7143101967329745
Energy: 0.7204790247220995
Energy: 0.7294737273279551
Energy: 0.7130912218056408
Energy: 0.7432408531701201
Energy: 0.7708820768780499
Energy: 0.715889127080676
Energy: 0.7312757070672776
Energy: 0.6934481746269616
Energy: 0.7273641700743643
Energy: 0.7265041242214803
Energy: 0.7544953439412494
Energy: 0.7332841205818716
Energy: 0.7312544625328823
Energy: 0.7262571633877051
Energy: 0.7195445540251615
Energy: 0.7187956782974189
Energy: 0.8197236978628188
Energy: 0.7021128752786886
Energy: 0.7176540737567534
Energy: 0.7128402100753475
Energy: 0.7111276605113427
Energy: 0.8198948061011405
Energy: 0.7553758077904252
Energy: 0.7163764666128499
Energy: 0.7162871612131517
Energy: 0.7176221979644475
Energy: 0.7204563896905793
Energy: 0.7248133112479851
Energy: 0.7130390965936405
Energy: 0.7128360871812882
Energy: 0.7132614997121209
Energy: 0.7378565809259459
Energy: 0.7371346138857939
Energy: 0.7595865619679902
Energy: 0.7411358174389128
Energy: 0.7086520391156088
Energy: 0.7044172724572515
Energy: 0.7371809819767362
Energy: 0.7194638335128488
Energy: 0.7582395608808791
Energy: 0.7038196375047441
Energy: 0.7189568456698016
Energy: 0.7170491836676384
Energy: 0.7182417554297406
Energy: 0.717651356683529
Energy: 0.7042611170786929
Energy: 0.7126587173386818
Energy: 0.7374809105110113
Energy: 0.7181547824281356
Energy: 0.7179254580712394
Energy: 0.7189791766496844
Energy: 0.7313475421283019
Energy: 0.7969974687681658
Energy: 0.7170273346649442
Energy: 0.7168289411156918
Energy: 0.715412396769815
Energy: 0.722221623410109
Energy: 0.8115442693703554
Energy: 0.7170123745175172
Energy: 0.7175972409017223
Energy: 0.7380087340322815
Energy: 0.715421895734444
Energy: 0.8055026780670903
Energy: 0.7113243806339055
Energy: 0.8245154105300257
Energy: 0.7001871886936518
Energy: 0.7173437279870913
Energy: 0.7216725310712644
Energy: 0.7094909922696839
Energy: 0.8497491705756914
Energy: 0.7579246288315981
Energy: 0.7173281239395579
Energy: 0.7107396949378526
Energy: 0.7168670474208024
Energy: 0.710998118853634
Energy: 0.7257199042524419
Energy: 0.7435873018399968
Energy: 0.7303857583785907
Energy: 0.7127142070315517
Energy: 0.7083250193307401
Energy: 0.7257993520905776
Energy: 0.7077290120411839
Energy: 0.7260452229919095
Energy: 0.7120852898246897
Energy: 0.7121523127531723
Energy: 0.7258501197409085
Energy: 0.8065136830689991
Energy: 0.7258956968672374
Energy: 0.7099071385835862
Energy: 0.7517870970387455
Energy: 0.7272670183218879
Energy: 0.8088972449036379
Energy: 0.7088740234745239
Energy: 0.7483958068686352
Energy: 0.714724224955292
Energy: 0.7093612670497762
Energy: 0.7507562423129731
Energy: 0.7287232321581478
Energy: 0.7483936954042834
Energy: 0.7078593273253719
Energy: 0.7047014098028285
Energy: 0.7531708074622561
Energy: 0.7019447174841213
Energy: 0.7781465407950864
Energy: 0.737127931089087
Energy: 0.706237310161956
Energy: 0.7219722342236151
Energy: 0.7164905895073804
Energy: 0.78426340246273
Energy: 0.7202797551110535
Energy: 0.7247361210780198
Energy: 0.7062011549027932
Energy: 0.7397364084453872
Energy: 0.7249908528365371
Energy: 0.7460147487767415
Energy: 0.6960500134851424
Energy: 0.707003591839711
Energy: 0.7289576628472881
Energy: 0.7149825096547789
Energy: 0.7532190178825393
Energy: 0.6896577029532364
Energy: 0.6969042321219956
Energy: 0.7064875678705768
Energy: 0.725059996133282
Energy: 0.7153654463846537
Energy: 0.721367371432242
Energy: 0.7274751220067976
Energy: 0.703688843121924
Energy: 0.7208583112283413
Energy: 0.7036904986326691
Energy: 0.7064986982558125
Energy: 0.7114418438447884
Energy: 0.7754366810348616
Energy: 0.730673804009036
Energy: 0.7324787390897269
Energy: 0.7029385870221104
Energy: 0.7283265550103097
Energy: 0.7532858369885463
Energy: 0.7495624418333183
Energy: 0.7327414254494601
Energy: 0.7022868958762666
Energy: 0.7289443290486742
Energy: 0.7187002703416921
Energy: 0.7121211869570534
Energy: 0.7030246494176007
Energy: 0.7312323740312645
Energy: 0.7165970911417828
Energy: 0.7200201825391889
Energy: 0.7145279304162176
Energy: 0.7031085382103487
Energy: 0.7201417067467963
Energy: 0.723574501175355
Energy: 0.7125044893483888
Energy: 0.7124843005652769
Energy: 0.8089953521957031
Energy: 0.7466053548010989
Energy: 0.7199157835201309
Energy: 0.714155536153259
Energy: 0.7137944722276803
Energy: 0.7791941618448907
Energy: 0.7050537838232313
Energy: 0.7606636515832673
Energy: 0.7399355949707246
Energy: 0.7177090429770889
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Energy: 0.7313503218353524
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Energy: 0.7283281888406068
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Energy: 0.7253488109466162
Energy: 0.7671459275202416
Energy: 0.731054524503933
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Energy: 0.7330212488460193
Energy: 0.7346203346807582
Energy: 0.7203973285611395
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Energy: 0.7141277220240541
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Energy: 0.7070112514383905
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Energy: 0.7383268634149445
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Energy: 0.7046352817049824
Energy: 0.7167700193242423
Energy: 0.7219423441073151
Energy: 0.7427793505539889
Energy: 0.7191502326058561
Energy: 0.7339707762671442
Energy: 0.711667806723323
Energy: 0.8442759971932645
Energy: 0.7336881257729303
Energy: 0.7194599024890057
Energy: 0.7396263218292398
Energy: 0.7156253608862869
Energy: 0.8454754183675917
Energy: 0.7408692714540737
Energy: 0.7393824481512709
Energy: 0.7089859582027113
Energy: 0.7060013340597322
Energy: 0.7125787553875788
Energy: 0.6920862817322736
Energy: 0.7058388009190626
Energy: 0.7127717207615712
Energy: 0.7096574268913494
Energy: 0.7075042431744939
Energy: 0.7224931446154188
Energy: 0.781904323752585
Energy: 0.7445992757335874
Energy: 0.7079399867960771
Energy: 0.7385032912371003
Energy: 0.7233463567133862
Energy: 0.7308292800286829
Energy: 0.7277524016217588
Energy: 0.7176225930785904
Energy: 0.7402850436750035
Energy: 0.7197528359997681
Energy: 0.7477369270700447
Energy: 0.7231661375908855
Energy: 0.7258311500020225
Energy: 0.7054119487341431
Energy: 0.7000395650404507
Energy: 0.7132688376233492
Energy: 0.71872383736271
Energy: 0.7183061329151146
Energy: 0.7200364336990248
Energy: 0.7335649897595684
Energy: 0.7143896712602483
Energy: 0.7802765032955343
Energy: 0.7842605617020171
Energy: 0.6963611386743975
Energy: 0.835405497524318
Energy: 0.6876727597339369
Energy: 0.7697459318498537
Energy: 0.7053926306367091
Energy: 0.7224447356654584

minimum gb energy = 0.6876727597339369 eV
minimum distance =  2.56544265992487 Angstroms
sigma value = 185


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

Energy: 0.36755102680351476
Energy: 0.36940495970117365
Energy: 0.5115530674663519
Energy: 0.4503472055531488
Energy: 0.2719055331067626
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Energy: 0.4851065955976967
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Energy: 0.2798325314063188
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Energy: 0.2970784011047411
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Energy: 0.4871487861024643
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Energy: 0.27123747525675096
Energy: 0.2713865298915121
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Energy: 0.5216890208334889
Energy: 0.46620784301334084
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Energy: 0.29391000813467166
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Energy: 0.48243691714158565
Energy: 0.4695384934378524
Energy: 0.4749489764928206
Energy: 0.4958898368686631
Energy: 0.48082123280370187
Energy: 0.48303201776806487
Energy: 0.45388266845131675
Energy: 0.32200799651113643
Energy: 0.4597259236584792
Energy: 0.5187514271313686
Energy: 0.48098517479495795
Energy: 0.46807405127191004
Energy: 0.30177147647005076
Energy: 0.4707228943386809
Energy: 0.5212483951988696
Energy: 0.45859492055399215
Energy: 0.29756078913524947
Energy: 0.2993459137116786
Energy: 0.4712014941855684
Energy: 0.4813699095744634
Energy: 0.459996148801852
Energy: 0.29690786448068723
Energy: 0.30138675642878066
Energy: 0.48065667707495435
Energy: 0.4696368929307754
Energy: 0.4448381060700461
Energy: 0.46059698964955115
Energy: 0.4792649517192932
Energy: 0.4549373020165571
Energy: 0.4834158256678548
Energy: 0.4614413335671301
Energy: 0.47927550819403625
Energy: 0.4482859469912949
Energy: 0.4806174715498386
Energy: 0.47042212724854254
Energy: 0.4551617947852442
Energy: 0.36957405494639683
Energy: 0.45175971285881406
Energy: 0.47361794125962803
Energy: 0.5126013424162498
Energy: 0.4869771049811456
Energy: 0.27155020416422304
Energy: 0.4632966654178179
Energy: 0.4911458439940099
Energy: 0.5309145997634135
Energy: 0.3692689812369017

minimum gb energy = 0.270588308268967 eV
minimum distance =  2.60442132921813 Angstroms
sigma value = 33


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

Energy: 1.0659734777100567
Energy: 0.6311446800276859
Energy: 0.6530376983508336
Energy: 0.6298988041738633
Energy: 0.6051079268573903
Energy: 0.6053025333036333
Energy: 0.6169890175849535
Energy: 0.6297750753483531
Energy: 0.6546205835730946
Energy: 0.6287729558802752
Energy: 0.6196192980042395
Energy: 0.6823211929351065
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Energy: 0.6290873228344417
Energy: 0.6276891648985934
Energy: 0.6138872232474207
Energy: 0.663121065248048
Energy: 0.6536421245737741
Energy: 0.6343043051518322
Energy: 0.6344634682814502
Energy: 0.640713291325195
Energy: 0.6412510331784005
Energy: 0.6414464829241486
Energy: 0.6792815580346218
Energy: 0.6138604499107726
Energy: 0.6180717649422063
Energy: 0.6431636669764966
Energy: 0.6430519628538278
Energy: 0.691996998854882
Energy: 0.6138597000877136
Energy: 0.6821570191439901
Energy: 0.6711970977238014
Energy: 0.6645837260813767
Energy: 0.6342116063045923
Energy: 0.6575630497416237
Energy: 0.6826754714037963
Energy: 0.6573260867333597
Energy: 0.6620694745983716
Energy: 0.6498631147096614
Energy: 0.614130469853027
Energy: 0.6340326792893234
Energy: 0.6357295821181478
Energy: 0.6556343415333845
Energy: 0.6267467982738978
Energy: 0.6389513339100297
Energy: 0.6379058369333801
Energy: 0.6400080310549738
Energy: 0.6563628381661839
Energy: 0.6266791614475671
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Energy: 0.6334886881559898
Energy: 0.6892026232447861
Energy: 0.6534920196774072
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Energy: 0.6981034463540676
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Energy: 0.7195019271361375
Energy: 0.6514968665943317
Energy: 0.6732929583292577
Energy: 0.6570730054336987
Energy: 0.6611904085474568
Energy: 0.689579524118558
Energy: 0.6518870344833925
Energy: 0.6724561771735378
Energy: 0.6833770954450887
Energy: 0.6833277856396521
Energy: 0.626440990329175
Energy: 0.6352287438611333
Energy: 0.6220727766490423
Energy: 0.627658115058893
Energy: 0.6262348012108118
Energy: 0.6263523680123098
Energy: 0.6461417470456782
Energy: 0.6223040999511662
Energy: 0.6276415621535621
Energy: 0.6263802795765515
Energy: 0.6259913471694086
Energy: 0.6497467281390938
Energy: 0.6342820125652983
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Energy: 0.6395229842947623
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Energy: 0.6294514303344166
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Energy: 0.6556382316120224
Energy: 0.7065453933003619
Energy: 0.6352456793968879
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Energy: 0.7101437044139979
Energy: 0.6331830646829102
Energy: 0.6335117849052667
Energy: 0.6331956767546404
Energy: 0.6446125957447789
Energy: 0.6778331333646836
Energy: 0.6308299006810906
Energy: 0.6316777409052508
Energy: 0.6443522085660659
Energy: 0.6243933907449024
Energy: 0.6512401735711439
Energy: 0.6662118171469773
Energy: 0.6170633677510693
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Energy: 0.6267049276664969
Energy: 0.6597497797009569
Energy: 0.6316305248379102
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Energy: 0.6034733552180691
Energy: 0.6174577644152196
Energy: 0.6294893168852571
Energy: 0.6612497828612822
Energy: 0.6978205103162184

minimum gb energy = 0.6034733552180691 eV
minimum distance =  2.5310816401009 Angstroms
sigma value = 219


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

Energy: 1.1001448422232296
Energy: 0.7783423490528445
Energy: 0.8011796204469949
Energy: 0.8017268078414762
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Energy: 0.7748028228792739
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Energy: 0.8029929156762383
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Energy: 0.7848473379247948
Energy: 0.8024004173678374
Energy: 0.800237350559632
Energy: 0.801965099978774
Energy: 0.8334284850967677
Energy: 0.7780565565981373
Energy: 0.80206830241106
Energy: 0.7994405324806665
Energy: 0.8035150694251523
Energy: 0.7843085990556092
Energy: 0.7785788892785647
Energy: 0.8857803177711999
Energy: 0.828526070587002
Energy: 0.8011193323291929
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Energy: 0.8092152442621887
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Energy: 0.8014519543790017
Energy: 0.7838839582725665
Energy: 0.7798793687377978
Energy: 0.7821873129882889
Energy: 0.7850355652499705
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Energy: 0.7825904393541415
Energy: 0.8117320003632744
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Energy: 0.8230698942450476
Energy: 0.8062514132242962
Energy: 0.782850136798816
Energy: 0.80478658792249
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Energy: 0.7853856948961601
Energy: 0.8221931061243203
Energy: 0.8202284789677418
Energy: 0.7848404750319653
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Energy: 0.78383960530508
Energy: 0.8225046088042898
Energy: 0.8218178727195494
Energy: 0.7846466888301292
Energy: 0.7799076156975203
Energy: 0.7790656306344164
Energy: 0.7829013316254133
Energy: 0.7839458330290063
Energy: 0.7846553231640038
Energy: 0.7793146300669801
Energy: 0.7787425087601986
Energy: 0.8122633560815733
Energy: 0.8211885795266182
Energy: 0.7849970821211794
Energy: 0.7852973143433157
Energy: 0.7789212393444146
Energy: 0.80042745416394
Energy: 0.7838483279318278
Energy: 0.7822681499599466
Energy: 0.7862439333978422
Energy: 0.7791276060642026
Energy: 0.8253978825124303
Energy: 0.783580550712181
Energy: 0.7840442901541114
Energy: 0.7753640832244246
Energy: 0.7989949115260229
Energy: 0.7994528262036278
Energy: 0.8003454359759109
Energy: 0.7828340590282303
Energy: 0.7765440925975531
Energy: 0.7832879420025052
Energy: 0.7989385267052727
Energy: 0.8015264630241987
Energy: 0.7823809315667988

minimum gb energy = 0.7748028228792739 eV
minimum distance =  2.53879473542181 Angstroms
sigma value = 15


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

Energy: 1.3159959522626967
Energy: 0.907325988978985
Energy: 0.9509621051913317
Energy: 0.9130887984710813
Energy: 0.9326273840238428
Energy: 0.9440192313055383
Energy: 0.9036569586119643
Energy: 0.9254052640394469
Energy: 0.9235094477586099
Energy: 0.9282989163174965
Energy: 0.9175117067063917
Energy: 0.9123082112566174
Energy: 0.9334857551737255
Energy: 0.9359462198830455
Energy: 0.9185374523979655
Energy: 0.9207776901358877
Energy: 0.906231400853761
Energy: 0.9329672941568851
Energy: 0.9344765825337222
Energy: 0.902418481565082
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Energy: 0.9287552911015077

minimum gb energy = 0.8882109843122846 eV
minimum distance =  2.48295444443945 Angstroms
sigma value = 293


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

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Energy: 0.947828905262321
Energy: 0.8912138978592156
Energy: 0.9092685287067175
Energy: 0.906946178290866
Energy: 0.9065550243785129
Energy: 0.9472819236133249
Energy: 0.8923416320658647
Energy: 0.9028532207822069
Energy: 0.9024118118896858
Energy: 0.9230038891032374
Energy: 0.8969096141736114
Energy: 0.9056219548691014
Energy: 0.9008487048115902
Energy: 0.9050157709156407
Energy: 0.9226960845067963
Energy: 0.8984500484855058
Energy: 0.8750735901317175
Energy: 0.9093886111950665
Energy: 0.9353139581151305
Energy: 0.9086110818302006
Energy: 0.9116705203113159
Energy: 0.9503867918699992
Energy: 0.9386864177206121
Energy: 0.9367054308561438
Energy: 0.9259214774410301
Energy: 0.886947683259916
Energy: 0.952347368587781
Energy: 0.9031126485813021
Energy: 0.8970783390395405
Energy: 0.9082289894850585
Energy: 0.9000713460603665
Energy: 0.9471667494725501
Energy: 0.9021243911969783
Energy: 0.8856637109550053
Energy: 0.9121949875248619
Energy: 0.9019988422154919
Energy: 0.9469260635581319
Energy: 0.8989066268228066
Energy: 0.8928913922542078
Energy: 0.9262139557319657
Energy: 0.9087919989123802
Energy: 0.8945291889748926
Energy: 0.898665546057381
Energy: 0.8929153294012425
Energy: 0.9067032776557369
Energy: 0.9251247056672294
Energy: 0.9264687992301406
Energy: 0.8689680369809273
Energy: 0.9210340242652599
Energy: 0.9072230897851791
Energy: 0.8991562351728783
Energy: 0.9046529848129231
Energy: 0.934347228741816
Energy: 0.9219908158922953
Energy: 0.9027022326691396
Energy: 0.9004702583515746
Energy: 0.9043316729620465
Energy: 0.901857855990674
Energy: 0.8864422907926162
Energy: 0.9080138445321896
Energy: 0.9091605415329849
Energy: 0.8974822999403892
Energy: 0.9012885796322634
Energy: 0.8875420684103433
Energy: 0.9070818588678332
Energy: 0.9091474069974247
Energy: 0.8917502826917111
Energy: 0.9088586647213418
Energy: 0.9106414225665836
Energy: 0.8939456265900912
Energy: 0.9364969449200734
Energy: 0.8876953135097548
Energy: 0.88977728809858
Energy: 0.9092927216945887
Energy: 0.8957721522090792
Energy: 0.9364734274405122
Energy: 0.9118026121119522
Energy: 0.9116776846881989
Energy: 0.8773194470534434
Energy: 0.9020681112450253
Energy: 0.9096357394840913
Energy: 0.9128002328049358
Energy: 0.9323391811337008
Energy: 0.877294805530687
Energy: 0.8708749142507486
Energy: 0.9101435848229945
Energy: 0.9201651079905089
Energy: 0.9116730594716409
Energy: 0.8728734966802522
Energy: 0.9036365207849929
Energy: 0.9071514568628093
Energy: 0.8900531247668623
Energy: 0.9116937861288438
Energy: 0.8724171337541777
Energy: 0.9257008071470278
Energy: 0.9076269547669935
Energy: 0.8908091940653088
Energy: 0.9067306573404753
Energy: 0.897207864682974
Energy: 0.9108895034151614
Energy: 0.9052812250560888
Energy: 0.9105011635227401
Energy: 0.9072876031794571
Energy: 0.8969880236202008
Energy: 0.9103887229797334
Energy: 0.9042260645690887
Energy: 0.906299971612195
Energy: 0.874668731369707
Energy: 1.010434471402334
Energy: 0.9217346724910812
Energy: 0.8986870761642825
Energy: 0.9167321234051838
Energy: 0.8755309813501934
Energy: 0.900251461508619
Energy: 0.9206482271859566
Energy: 0.8995293004610175
Energy: 0.9176408199020563
Energy: 0.9545274349141496
Energy: 0.9492379549297777
Energy: 0.9267212947655717
Energy: 0.9368980277269231
Energy: 0.9378239413931675
Energy: 0.8936787837000886
Energy: 0.9478038598363803
Energy: 0.9231533332326652
Energy: 0.9361878503079389
Energy: 0.9102201722168325
Energy: 0.8958899123900349
Energy: 0.9556797166365155
Energy: 0.9492256889507511
Energy: 0.9204294283803589
Energy: 0.9093666197653083
Energy: 0.9208159501650454
Energy: 0.9533038926863197
Energy: 0.9503036011529358
Energy: 0.8955015845291433
Energy: 0.9157498513280243
Energy: 0.9078585757878223
Energy: 0.9132393892886278
Energy: 0.9447623752829194
Energy: 0.9040873203926679
Energy: 0.9031944760395955
Energy: 0.8970293479191089
Energy: 0.9131946362103643
Energy: 0.9371493798950643
Energy: 0.9045427982580544
Energy: 0.9033790955109586
Energy: 0.9000508428284466
Energy: 0.90284487378255
Energy: 0.865245181243533
Energy: 0.8841249846701981
Energy: 0.9111237214973013
Energy: 0.898960684351029
Energy: 0.9065059650173936
Energy: 0.8727516632364073
Energy: 0.8819054543634476
Energy: 0.9121381492692916
Energy: 0.9073637874187236
Energy: 0.9105087077901557
Energy: 0.8955348864885343
Energy: 0.9111633580518109
Energy: 0.8887159810187574
Energy: 0.9091781465344091
Energy: 0.9102793142598752
Energy: 0.8960895249434104
Energy: 0.9094874285128658
Energy: 0.8894482709222647
Energy: 0.8975017256404555
Energy: 0.9345830902081068
Energy: 0.8947226521195394
Energy: 0.910412073058233
Energy: 0.8921986336975763
Energy: 0.9087140881286218
Energy: 0.9360199706136368
Energy: 0.8945547384515443
Energy: 0.9104464102271255
Energy: 0.8918626992832189
Energy: 0.8712158421799605
Energy: 0.8823006207145107
Energy: 0.9121692314567718
Energy: 0.9382120287271133
Energy: 0.9203252682858731
Energy: 0.8880591632236892
Energy: 0.900124914169861
Energy: 0.9382580013098188
Energy: 0.936658622810572
Energy: 0.8704006565255761
Energy: 0.9376447859351164
Energy: 0.8972270064285973
Energy: 0.9058815637021055
Energy: 0.9093354506453443
Energy: 0.9284574031321358
Energy: 0.9402304608105664
Energy: 0.8956009529651623
Energy: 0.9069623688828318
Energy: 0.9093641901252699
Energy: 0.8701517416690581
Energy: 0.9103032720184097
Energy: 0.9055619598994856
Energy: 0.8957920987194865
Energy: 0.94827183458885
Energy: 0.8930723126750283
Energy: 0.9104345445745815
Energy: 0.9074480340075161
Energy: 0.8947879164111859
Energy: 0.948930856301109
Energy: 0.9582891214070234
Energy: 0.9016968467303298
Energy: 0.8966037911929557
Energy: 0.9210437006246478
Energy: 1.0089839008916892
Energy: 0.8752750099637842
Energy: 0.9026766556194713
Energy: 0.8965528342353674
Energy: 0.9220052191227397
Energy: 1.0103851682883074
Energy: 0.8748366242588408
Energy: 0.9060230377770873
Energy: 0.9363834657408897
Energy: 0.9405161095344912
Energy: 0.8964455368217501
Energy: 0.9484366259620577
Energy: 0.9385395307043988
Energy: 0.9375562983692994
Energy: 0.9403616579355801
Energy: 0.8972772324100211
Energy: 0.9496719043503733
Energy: 0.9015517596495546
Energy: 0.8815226844314781
Energy: 0.9494274320442311
Energy: 0.9020240945988693
Energy: 0.9483002371342524
Energy: 0.9016939552552848
Energy: 0.880405668832405
Energy: 0.9479296445158159
Energy: 0.9033385700810387
Energy: 0.947681892175053
Energy: 0.9008862359240599
Energy: 0.9041061796788373
Energy: 0.9021621039435813
Energy: 0.9100138773791847
Energy: 0.8934517732011241
Energy: 0.9203680537177189
Energy: 0.9023462647729864
Energy: 0.9011616211535165
Energy: 0.911091937146865
Energy: 0.8852023865133037

minimum gb energy = 0.8647851599803217 eV
minimum distance =  2.50402577256137 Angstroms
sigma value = 293


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

Energy: 0.8430650154686301
Energy: 0.8470954096474963
Energy: 0.8700300995419294
Energy: 0.8986626472562327
Energy: 0.8470016118116696
Energy: 0.843088019415552
Energy: 0.8666517570937298
Energy: 0.8621932835368864
Energy: 0.8983419297700819
Energy: 0.8466165263533332
Energy: 0.85353018721697
Energy: 0.8614210578805834
Energy: 0.8581042797106542
Energy: 0.8703903964853874
Energy: 0.8943232708549341
Energy: 0.8949701592954674
Energy: 0.8610902393920324
Energy: 0.8589782936371424
Energy: 0.865205211690401
Energy: 0.8952824002607963
Energy: 0.8694932267900128
Energy: 0.861078407165248
Energy: 0.8626665601333824
Energy: 0.8595581763732904
Energy: 0.9150341000328477
Energy: 0.8683107097472359
Energy: 0.8682572557622225
Energy: 0.8621218181194457
Energy: 0.8907171006079418
Energy: 0.8659608290385954
Energy: 0.8716754318584837
Energy: 0.8521618769731872
Energy: 0.846747465828033
Energy: 0.8684516231996176
Energy: 0.8626993162871339
Energy: 0.8715733532851981
Energy: 0.8507630981437233
Energy: 0.8463626143320326
Energy: 0.8678697596303352
Energy: 0.8475303828795714
Energy: 0.8976192808649437
Energy: 0.8473654481168598
Energy: 0.8473897621663994
Energy: 0.9088792972790648
Energy: 0.8665846991035046
Energy: 0.8698274082245598
Energy: 0.8472436866530749
Energy: 0.8475212950192144
Energy: 0.8626662149692893
Energy: 0.8673166020562096
Energy: 0.8701672293564569
Energy: 0.8668509431028113
Energy: 0.8674226803965162
Energy: 0.8589400004435654
Energy: 0.8579462637859776
Energy: 0.862221271723241
Energy: 0.8863247100000686
Energy: 0.8981440034962654
Energy: 0.8606771659985721
Energy: 0.8571725579796629
Energy: 0.8661938451362926
Energy: 0.8436220476286452
Energy: 0.8688668569352287
Energy: 0.8624960619032332
Energy: 0.8621881768440542
Energy: 0.866903309935184
Energy: 0.8425551951597382
Energy: 0.8683995735562015
Energy: 0.863304634279015
Energy: 0.8642633835211813
Energy: 0.8954435272963293
Energy: 0.8613637025125132
Energy: 0.8687896352063524
Energy: 0.8477667199229472
Energy: 0.8476657683597578
Energy: 0.896485311863456
Energy: 0.8595825296405488
Energy: 0.8669786612302237
Energy: 0.8474841882338984
Energy: 0.8476209199848539
Energy: 0.8622307803814353
Energy: 0.8600848111891235
Energy: 0.8688410874567966
Energy: 0.8469799732577248
Energy: 0.8634083726288586
Energy: 0.8618791863239279
Energy: 0.8690160908111385
Energy: 0.8677227136788035
Energy: 0.847720982942558
Energy: 0.8647383615936169
Energy: 0.8610295786047493
Energy: 0.8625620774870958
Energy: 0.8613165992612465
Energy: 0.9014925900204213
Energy: 0.8991398568289356
Energy: 0.8620288092890885
Energy: 0.8634790738322284
Energy: 0.8606432600618719
Energy: 0.9020504366070787
Energy: 0.857896014140498
Energy: 0.8520270289445576
Energy: 0.8945996039132473
Energy: 0.8997415068563763
Energy: 0.9161355840857331
Energy: 0.864777916619551
Energy: 0.8496292665093285
Energy: 0.8943795805324115
Energy: 0.8462187061341403
Energy: 0.8990272747647658
Energy: 0.8666348177668739
Energy: 0.8432644672126332
Energy: 0.8658876133610135
Energy: 0.8677887601529476
Energy: 0.8985666690546841
Energy: 0.8469784304020359
Energy: 0.8431527164332036
Energy: 0.8662052103600174
Energy: 0.8609357173794353
Energy: 0.8985798434210056
Energy: 0.8468811911332657
Energy: 0.8632426904657035
Energy: 0.8611413315186308
Energy: 0.8567144718321571
Energy: 0.8701194831685342
Energy: 0.8946461857727833
Energy: 0.8959577189231945
Energy: 0.8606842377848875
Energy: 0.8591669870975276
Energy: 0.870959967596401
Energy: 0.8958244065678661
Energy: 0.8688065185221487
Energy: 0.8577672272115616
Energy: 0.8621349595106665
Energy: 0.8587217899488107
Energy: 0.9147810188529154
Energy: 0.868437844455528
Energy: 0.8720768860550179
Energy: 0.8622887138527466
Energy: 0.8623097512682855
Energy: 0.8664238480420678
Energy: 0.8729892118808829
Energy: 0.8544050691378675
Energy: 0.8467371434036159
Energy: 0.8676642338255797
Energy: 0.863278215777317
Energy: 0.8743184514722772
Energy: 0.8509355441858111
Energy: 0.8467363036327226
Energy: 0.8683399230713307
Energy: 0.8678631620180606
Energy: 0.8984199817144871
Energy: 0.8474014535267625
Energy: 0.847930359335131
Energy: 0.8935735143169042
Energy: 0.8659796839277908
Energy: 0.8699703848424081
Energy: 0.8472295096203885
Energy: 0.8478070229657069
Energy: 0.8647349360324376
Energy: 0.8676796290080694
Energy: 0.8698831713407621
Energy: 0.865087276257697
Energy: 0.896954682904441
Energy: 0.8585384878542954
Energy: 0.8582710525873954
Energy: 0.8629705760619193
Energy: 0.8635267710133072
Energy: 0.8979874684422651
Energy: 0.8592699372197427
Energy: 0.8577569016022156
Energy: 0.928337641062733
Energy: 0.8435237874646515
Energy: 0.8690715343868849
Energy: 0.8636743033120629
Energy: 0.9014528066595784
Energy: 0.8625362999915829
Energy: 0.8422456682123622
Energy: 0.8683926825462105
Energy: 0.8650638836656546
Energy: 0.8674288105250718
Energy: 0.8966513630799461
Energy: 0.8607796174968193
Energy: 0.8682266841077348
Energy: 0.8468224361664113
Energy: 0.8475943747648237
Energy: 0.8979049905456514
Energy: 0.8596298925782093
Energy: 0.8666696751020536
Energy: 0.8470801008265624
Energy: 0.8475893388891776
Energy: 0.8623984602757815
Energy: 0.8598163117356231
Energy: 0.8687034571032433
Energy: 0.8473427908536892
Energy: 0.8655084233263216
Energy: 0.8610539819214598
Energy: 0.869589124449899
Energy: 0.8683400827857716
Energy: 0.848635864547122
Energy: 0.8636292366013116
Energy: 0.8608277172595828
Energy: 0.8621459980789757
Energy: 0.8592017663849809
Energy: 0.9025224484603684
Energy: 0.8992458852221957
Energy: 0.8627123106245066
Energy: 0.8630112007351519
Energy: 0.8608271599189141
Energy: 0.8991715949969773
Energy: 0.8552416787980273
Energy: 0.8488103351077136
Energy: 0.8680856794597326
Energy: 0.8988672025342728
Energy: 0.8649775207229582
Energy: 0.8647102821640307
Energy: 0.8476917620979246
Energy: 0.8677821633657642
Energy: 0.8415092096859559
Energy: 0.8658032303385742
Energy: 0.8639795755396689

minimum gb energy = 0.8415092096859559 eV
minimum distance =  2.51475467937906 Angstroms
sigma value = 15


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

Energy: 1.3460902969020383
Energy: 0.91464570421755
Energy: 0.9220297086748332
Energy: 0.8995751601620728
Energy: 0.9082444372075332
Energy: 0.8838428706827948
Energy: 0.9385781215363959
Energy: 0.9514239760136586
Energy: 0.9082632731886111
Energy: 0.9439513304054857
Energy: 0.8588392151361299
Energy: 0.9352776795016161
Energy: 0.900992754925811
Energy: 0.9027806062353667
Energy: 0.9503961218823136
Energy: 0.8639434240924933
Energy: 0.9329147894137693
Energy: 0.9026871573552022
Energy: 0.9305775563596781
Energy: 0.8953536197600308
Energy: 0.9702036838276601
Energy: 0.9444667874074109
Energy: 0.9313317009722013
Energy: 0.9238281333683028
Energy: 0.9376995794227634
Energy: 0.9342951835478862
Energy: 0.9411808356193508
Energy: 0.9320059482564255
Energy: 0.8966413973370266
Energy: 0.9939895368155871
Energy: 0.9072294181529308
Energy: 0.8979612791095727
Energy: 0.8980517444731012
Energy: 0.9769077293841734
Energy: 1.003089752532157
Energy: 0.9166877189644996
Energy: 0.8982276170529465
Energy: 0.892666142149806
Energy: 0.9706472979539496
Energy: 0.9945256505649065
Energy: 1.0033309800025774
Energy: 0.8995560546450886
Energy: 0.8919286483164568
Energy: 0.9205239501119891
Energy: 0.927574555934075
Energy: 0.9850276180542207
Energy: 0.89907663220773
Energy: 0.9153324009988647
Energy: 0.9199237915181856
Energy: 0.9310924243538903
Energy: 0.9046234542508471
Energy: 0.8807719595349284
Energy: 0.8855469725232911
Energy: 0.9751368829987804
Energy: 1.0542789976462965
Energy: 0.9102834821357262
Energy: 0.8787560824454826
Energy: 0.8866602549614472
Energy: 0.9811569581757291
Energy: 1.1028456346974895
Energy: 0.8850070486841181
Energy: 0.8821572240006444
Energy: 0.8808413410567003
Energy: 0.908724555485673
Energy: 0.9408202169818374
Energy: 0.8855714444149285
Energy: 0.8787573157540343
Energy: 0.8840803018573214
Energy: 0.8793367127211488
Energy: 0.9166351848026423
Energy: 0.8857978466375932
Energy: 0.8797896841686454
Energy: 0.8812040675158292
Energy: 0.9059437399528639
Energy: 0.9665305366448717
Energy: 0.8858825062651874
Energy: 0.8777566532514924
Energy: 0.8824603010286242
Energy: 0.9030554973655877
Energy: 0.9588512579957866
Energy: 0.903776626513867
Energy: 1.049860697259306
Energy: 0.9380580236029309
Energy: 0.9600957620251549
Energy: 0.8830427171627218
Energy: 0.90414880568443
Energy: 1.0481265305226535
Energy: 0.9352462084651973
Energy: 1.0110296332069715
Energy: 0.8830914704677901
Energy: 0.9382546675892286
Energy: 0.9025651924688082
Energy: 0.886714428744418
Energy: 0.8847135674493289
Energy: 0.8913680592787889
Energy: 0.9054500198906347
Energy: 0.9019460483611813
Energy: 0.8895797751275979
Energy: 0.8892635797185673
Energy: 0.8968845291435693
Energy: 0.8961772038765199
Energy: 0.9339362471064493
Energy: 0.8883563910294681
Energy: 0.8866957723864439
Energy: 0.8896367825395904
Energy: 0.9438650156892028
Energy: 0.9108059179053409
Energy: 0.8997227139802213
Energy: 0.8900355913151604
Energy: 0.8952719619311839
Energy: 1.0035949536312552
Energy: 0.9362492901668272
Energy: 0.8875926587645576
Energy: 0.8650343868940036
Energy: 0.9394798781363821
Energy: 1.0010421885811656
Energy: 0.94132122893425
Energy: 0.8946463480638296
Energy: 0.8656925914681229
Energy: 0.9388734613245866
Energy: 0.9571091825123043
Energy: 0.9218788365692979
Energy: 0.9858807448437817
Energy: 0.8906563881638591
Energy: 0.9056065721236305
Energy: 0.9478675161392337
Energy: 0.9414413967342424
Energy: 0.9787238382019882
Energy: 0.8784278417922852
Energy: 0.9527565857330973
Energy: 0.9139640461201971
Energy: 0.9412774647587498
Energy: 0.8663248638049259
Energy: 0.9570972235484464
Energy: 0.9203786001893054
Energy: 0.9142559580738628
Energy: 0.939565077268772
Energy: 0.8523966638610513
Energy: 0.9448800377559009
Energy: 0.9031273669708352
Energy: 0.8890966774388119
Energy: 0.9165694652029982
Energy: 0.9884595754608333
Energy: 0.9515928281837394
Energy: 0.9317353241013456
Energy: 0.8962666854587605
Energy: 0.9186748006648949
Energy: 0.9880202536001225
Energy: 0.9491694043522161
Energy: 0.9443135080036463
Energy: 0.9815402646724967
Energy: 0.9950337250720419
Energy: 0.8885825759641715
Energy: 0.9196789941857479
Energy: 0.9319679149217636
Energy: 0.9594162558408185
Energy: 0.9907429929625776
Energy: 0.9176311335591629
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Energy: 0.8677987663721627
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Energy: 0.9073228003416343
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Energy: 0.9570915493640522
Energy: 1.0323311786412082
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Energy: 0.8793558116860895
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Energy: 1.0536925813452804
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Energy: 1.0161106699463267
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Energy: 0.890185031165689
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Energy: 0.880412032338991
Energy: 0.895266683009601
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Energy: 0.8847704516592388
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Energy: 0.912246290347608
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Energy: 0.8939081346803315
Energy: 0.8985209099574262
Energy: 1.0478628885650918
Energy: 0.9055961235980051
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Energy: 0.8942113002477164
Energy: 0.898144392902352
Energy: 1.05082295495526
Energy: 0.9076028675752214
Energy: 0.8921142011143341
Energy: 0.8925787216725903
Energy: 0.899937960839973
Energy: 0.8810102757159134
Energy: 0.8952729440753444
Energy: 0.8902307589584537
Energy: 0.8922545202572258
Energy: 0.8788810841873086
Energy: 0.9384261539363425
Energy: 0.9007529987185127
Energy: 0.894617548175338
Energy: 0.8999335767751009
Energy: 0.9903097404249473
Energy: 0.9948167804346576
Energy: 0.9375662216261799
Energy: 0.8966897382019315
Energy: 0.93392032843674
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Energy: 0.9270336510866545
Energy: 0.9009594774701515
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Energy: 0.8844514392369466
Energy: 0.8874907556430683
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Energy: 0.9521146514711397
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Energy: 0.9289334727792
Energy: 0.928868670757474
Energy: 0.9026338383854773
Energy: 0.9481643168326
Energy: 0.9588371714331665
Energy: 0.9425445629349825
Energy: 0.9149020460432344
Energy: 0.9038797920900882
Energy: 0.946309501143962
Energy: 0.9186434610954877
Energy: 0.97536568132047
Energy: 0.9487106430887492
Energy: 0.9425474137564097
Energy: 0.91112881378492
Energy: 0.9318039765000597
Energy: 0.9516629315351768
Energy: 0.9491699951718727
Energy: 0.9442867359537088
Energy: 0.9185959252510018
Energy: 1.0033005558660055
Energy: 0.918685600553371
Energy: 0.9931485754593946
Energy: 0.9391798141209168
Energy: 0.9795635697727562
Energy: 1.0031169657011922
Energy: 0.9195458627354365
Energy: 0.9919309626882049
Energy: 0.9539273477832187
Energy: 0.9812881177654785
Energy: 1.0053946786574184
Energy: 1.0282714793384742
Energy: 0.9476748350001134
Energy: 1.0152335987954673
Energy: 0.9120287780498295
Energy: 0.9199725487397995
Energy: 1.0188651858836066
Energy: 0.9639557786906107
Energy: 1.0121902162918195
Energy: 0.9125389739147992
Energy: 0.9491846159590321
Energy: 1.0205590676707212
Energy: 0.8844378129180046
Energy: 0.8886928793537849
Energy: 0.9451695864633703
Energy: 1.0525665041695815
Energy: 1.0226950604580038
Energy: 0.8804868952210031
Energy: 0.8817902128824413
Energy: 0.947520093120412
Energy: 1.1049810959725361
Energy: 0.8856292620987987
Energy: 0.8832498207418046
Energy: 0.8834183659493583
Energy: 0.8802824550861827
Energy: 0.951363542087688
Energy: 0.8838491930615023
Energy: 0.8816657193992103
Energy: 0.8840540607936331
Energy: 0.8806209306656938
Energy: 0.9518701183284115
Energy: 0.8879124012575875
Energy: 0.8798970440654856
Energy: 0.8813536005743263
Energy: 0.9018035966621343
Energy: 0.9626286041059888
Energy: 0.8876719664047933
Energy: 0.8789183387213426
Energy: 0.881587798067538
Energy: 0.9100942825639344
Energy: 0.9644705171848705
Energy: 0.8971369375686707
Energy: 0.908169864477346
Energy: 0.919564567162749
Energy: 0.9686375551412235
Energy: 0.8766730742033052
Energy: 0.9071070520608554
Energy: 0.9042206748850344
Energy: 0.9548917607043063
Energy: 0.9605365727468218
Energy: 0.9066959384565191
Energy: 0.9059668754682055
Energy: 0.8978370254898195
Energy: 0.9141595061038894
Energy: 0.8891376940887536
Energy: 0.8976970417499557
Energy: 0.9060378137009861
Energy: 0.9098817944369959
Energy: 0.8881691559239223
Energy: 0.8857897273025329
Energy: 0.8931562925594903
Energy: 0.890223534778948
Energy: 0.9300856573213427
Energy: 0.89534283777229
Energy: 0.8904672708279745
Energy: 0.895414683424893
Energy: 0.9398643149774006
Energy: 0.9357707025352823
Energy: 0.8975858035407348
Energy: 0.8870215068298579
Energy: 0.8911207617945968
Energy: 1.0031474672392584
Energy: 0.916976994432981
Energy: 0.901726485470884
Energy: 0.8640610152424762
Energy: 0.9823496638389003
Energy: 1.0019800802786913
Energy: 0.9399132602233465
Energy: 0.8966561289738397
Energy: 0.8740653333848617
Energy: 0.9716820002719657
Energy: 0.9420666287222118
Energy: 0.8978792716153139
Energy: 0.852569652405522
Energy: 0.8947706525777327
Energy: 0.9426383831633077
Energy: 0.9590874895667786
Energy: 0.8954541731114243
Energy: 0.855741806508169
Energy: 0.9116533223890053
Energy: 0.9412172328916313
Energy: 0.9134339670671471
Energy: 0.9414392681297795
Energy: 0.9287144394028599
Energy: 0.9010360772430239
Energy: 0.8996693647897296
Energy: 0.9185494188960422
Energy: 0.9396397015096787
Energy: 0.889499698084271
Energy: 0.9013048343655563
Energy: 0.90048386982004
Energy: 0.941397300270697
Energy: 0.9211637166145644
Energy: 0.9897091264524439
Energy: 0.9496507974843462
Energy: 0.9444654879524963
Energy: 0.9033628484631997
Energy: 0.9100196079237438
Energy: 0.98493731425248
Energy: 0.9471746516159576
Energy: 0.9380078789177292
Energy: 0.9943117637797245
Energy: 0.9936129904770518
Energy: 0.9946410128825143
Energy: 0.978828949362105
Energy: 0.9196132122125918
Energy: 0.9814811943652976
Energy: 0.991791056555773
Energy: 0.9938971485459446
Energy: 0.975046539056218
Energy: 0.868514664296476
Energy: 0.9088045176867153
Energy: 0.947414672049617
Energy: 0.8664587985647346
Energy: 0.9895634179663243
Energy: 0.9627172372024038
Energy: 0.9110568495216649
Energy: 0.9564306284008488
Energy: 0.8755654916294721
Energy: 0.9350484236190992
Energy: 1.2226062138212888
Energy: 0.920349477790699
Energy: 1.0143638700285522
Energy: 1.0473253637790834
Energy: 0.9443466295760694
Energy: 0.8909748051484913
Energy: 0.9506717801760336
Energy: 1.0495656675587373
Energy: 1.0464786688925587
Energy: 0.8874131812336452
Energy: 0.8904318189502789
Energy: 0.884554815182338
Energy: 0.9516035940194643
Energy: 0.8847229225792462
Energy: 0.8832844836378037
Energy: 0.8811139916255257
Energy: 0.8849730611370091
Energy: 0.947303389079575
Energy: 0.8847236924386529
Energy: 0.8824609653042678
Energy: 0.8788248152122005
Energy: 0.9034013371243653
Energy: 0.9651076485787028
Energy: 0.889082582668826
Energy: 0.8836690020756126
Energy: 0.8775101226348356
Energy: 0.8656117566683894
Energy: 0.9680161687009672
Energy: 0.9058165241146409
Energy: 0.883717229905006
Energy: 0.8781786025338966
Energy: 0.8987834494455228
Energy: 0.8868768142169686
Energy: 0.888932972146003
Energy: 0.9015834715936119
Energy: 0.9138436020235027
Energy: 0.8914044000621114
Energy: 0.882780560973648
Energy: 0.8834778367437313
Energy: 0.9020862748250367
Energy: 0.9453719991283802
Energy: 0.8810099221179207
Energy: 0.8846157810929941
Energy: 0.8896739835891045
Energy: 1.0467609119675905
Energy: 0.9135126733433788
Energy: 0.8887859262913695
Energy: 0.8951369058494703
Energy: 0.9010495291539635
Energy: 1.0498857415589313
Energy: 0.8826010038294654
Energy: 0.8807731850337216
Energy: 0.8840358974615128
Energy: 0.8851275879198759
Energy: 0.9660892103656866
Energy: 0.8891596379358517
Energy: 0.885952628263978
Energy: 0.8941980571227831
Energy: 0.896161412444165
Energy: 0.9006014988404585
Energy: 0.8836691980661933
Energy: 0.8897398646048125
Energy: 0.8708209731428366
Energy: 0.9918427621152088
Energy: 0.9882778840210045
Energy: 0.8894714027057402
Energy: 0.8887178274877677
Energy: 0.8961762930150876
Energy: 0.9932122241400533
Energy: 0.9315657171318452
Energy: 0.8898904579662179
Energy: 0.9360103646079747
Energy: 0.9698202123310953
Energy: 0.931655008804376
Energy: 0.896026739144945
Energy: 0.8512866443385511
Energy: 0.8914550232577212
Energy: 0.9453247525220076
Energy: 0.9719111804082777
Energy: 0.9298685855939641
Energy: 0.9077413049675208

minimum gb energy = 0.8512866443385511 eV
minimum distance =  2.49960210792977 Angstroms
sigma value = 437


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

Energy: 1.1502217109960098
Energy: 0.9669765285517815
Energy: 0.9479255073968259
Energy: 0.9367545296271687
Energy: 0.8792695343075815
Energy: 0.8821575227675457
Energy: 0.8964777102732627
Energy: 0.9513165598801846
Energy: 0.9654360795242446
Energy: 0.9596646275867468
Energy: 0.8879572128203763
Energy: 0.88102025117087
Energy: 0.8408986746064514
Energy: 0.9620450688113681
Energy: 0.8361413449411499
Energy: 0.8809111107185122
Energy: 0.8697307365297903
Energy: 0.8413301977918964
Energy: 0.9280517705575391
Energy: 0.8365767050625997
Energy: 0.8871135866918071
Energy: 0.8906174780601763
Energy: 0.9273154436090318
Energy: 0.8334621224593255
Energy: 0.8962233278160063
Energy: 0.8854257651263892
Energy: 0.8901357109165043
Energy: 0.9280419989623883
Energy: 0.8322994020151684
Energy: 0.9074973856813863
Energy: 0.8319561517349775
Energy: 0.8331008609847796
Energy: 0.9260625474583434
Energy: 0.8657221524764812
Energy: 0.9040529197372841
Energy: 0.8328455249874375
Energy: 0.8289929533072045
Energy: 0.9272705298777218
Energy: 0.8569509695716003
Energy: 0.9026263575739327
Energy: 0.8578681331528961
Energy: 0.9272654003248538
Energy: 0.8716797054670905
Energy: 0.8332866778609987
Energy: 0.888074868139187
Energy: 0.8637704740986041
Energy: 0.9278479442083583
Energy: 0.83153061304146
Energy: 0.8340320832835569
Energy: 0.88288450862673
Energy: 0.8291545169946349
Energy: 0.8335724558419398
Energy: 0.8267655292008486
Energy: 0.8698407751945484
Energy: 0.8793102742839439
Energy: 0.8283665085700295
Energy: 0.8340449067986709
Energy: 0.9007785386389113
Energy: 0.8618138542716879
Energy: 1.098605806646853
Energy: 0.8863839602928801
Energy: 0.8835143018288086
Energy: 0.8900738746952738
Energy: 0.8360407932283415
Energy: 0.9120200752572418
Energy: 0.8857006792583734
Energy: 0.8857799693427679
Energy: 0.8883389666418571
Energy: 0.8367939001177819
Energy: 0.886186442247578
Energy: 0.8894116869118401
Energy: 0.8992780123018123
Energy: 0.8332502348315535
Energy: 0.8793559819826369
Energy: 0.9190596356078188
Energy: 0.8883268393336181
Energy: 0.900205084179802
Energy: 0.83303084097041
Energy: 0.882166167143179
Energy: 0.9185205779615002
Energy: 0.8279628590036602
Energy: 0.9283114908095369
Energy: 0.8725220813176126
Energy: 0.9282758960447199
Energy: 0.878116164117944
Energy: 0.8282419046943663
Energy: 0.9271712570343541
Energy: 0.8817062285625407
Energy: 0.9311864221651336
Energy: 0.8774319591210129
Energy: 0.9523037431652159
Energy: 0.8686764842091089
Energy: 0.8293390933760826
Energy: 0.8704034119201267
Energy: 0.8846116852345386
Energy: 0.9078989972254394
Energy: 0.8687904600313996
Energy: 0.828528119183777
Energy: 0.8703009866839172
Energy: 0.8841357779009612
Energy: 0.8264270618369118
Energy: 0.8301272317512594
Energy: 0.8303288750933622
Energy: 0.8810457141089856
Energy: 0.8207777219714907
Energy: 0.8272516757910535
Energy: 0.827575970400095
Energy: 0.832190777015802
Energy: 0.8812282659382875
Energy: 0.8274904780625231
Energy: 0.8261277251738709
Energy: 0.8259087762582725
Energy: 0.830545613342928
Energy: 0.9394622909698909
Energy: 0.8285739519003912
Energy: 0.8267517447281044
Energy: 0.8268444287425747
Energy: 0.832968915103727
Energy: 0.8731632123292433
Energy: 0.8282540944447119
Energy: 0.8269617452965535
Energy: 0.8266387697628786
Energy: 0.9173578123229706
Energy: 0.8778257796050699
Energy: 0.8298380599119407
Energy: 0.8303561532870484
Energy: 0.828972144063817
Energy: 0.9197437639305815
Energy: 0.8640427034139199
Energy: 0.8287039500716896
Energy: 0.973229449610785
Energy: 0.8312943193919017
Energy: 0.8776355774906096
Energy: 0.878311393976685
Energy: 0.8215900845459198
Energy: 0.9703272220097312
Energy: 0.8283225763198401
Energy: 0.9587186485277359
Energy: 0.8767894450073825
Energy: 0.8321477191241328

minimum gb energy = 0.8207777219714907 eV
minimum distance =  2.57143995547654 Angstroms
sigma value = 33