Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.061213478446007
cohesive_energy=2.700628357150368
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3786201217280778e-19, 1.88867785969188e-19, 2.26834565665086e-19, 2.5764442233690597e-19, 2.8311582646423797e-19, 3.04593004243008e-19, 3.23420181869142e-19, 3.4014370157483396e-19, 3.5470748717789397e-19, 3.6741114570888e-19, 3.78488594956356e-19, 3.8811927870333e-19, 3.9656915827104595e-19, 4.0392475119774e-19, 4.10214896662824e-19, 4.15522907851266e-19, 4.1992729141813193e-19, 4.2348732789888e-19, 4.2626390000560197e-19, 4.28303470860684e-19, 4.30077080394522e-19, 4.3152865242492594e-19, 4.3237780604094596e-19, 4.3265498259862797e-19, 4.3235697774470396e-19, 4.3139406958767e-19, 4.2964609487997593e-19, 4.2697206207783e-19, 4.2320053828139398e-19, 4.182097580664839e-19, 4.1170331875581e-19, 4.03362387199206e-19, 3.9281846277085196e-19, 3.7962614036649596e-19, 3.6322626034087197e-19, 3.4365887710983e-19, 3.1957495794754196e-19, 2.89771268201874e-19, 2.5285711855451395e-19, 2.0760844605708598e-19, 1.51364035320516e-19, 8.08424683807086e-20, -7.389911550194279e-21, -1.1966785453476718e-19, -2.6353883017339196e-19, -4.50958248465444e-19, -6.954584136970139e-19, -1.0265081606972638e-18, -1.483942407117336e-18, -2.1369030855974998e-18, -3.1047619684305595e-18, -4.617104558562179e-18, -7.16535047317284e-18, -1.1949097423437359e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.00933632233977794
Energy: 0.09112527699203483
Energy: 0.09289396734652768
Energy: 0.09241294100672075
Energy: 0.01223617015761095
Energy: 0.010429884534145048
Energy: 0.09237033732100501
Energy: 0.0936199355646688
Energy: 0.09192881879268887
Energy: 0.012863078767625376
Energy: 0.09107248409076289
Energy: 0.09081193975816669
Energy: 0.09253253971428564
Energy: 0.0930084191932009
Energy: 0.09279635274279775
Energy: 0.09122755476415635
Energy: 0.09542363455404064
Energy: 0.09231709327986606
Energy: 0.09382995450176584
Energy: 0.09241075301606501
Energy: 0.0932571491276683
Energy: 0.012280279645160415
Energy: 0.00964724424432065
Energy: 0.09140700158753025
Energy: 0.09245938224330078
Energy: 0.09278508656670441
Energy: 0.011508172162696262
Energy: 0.00966746134763805
Energy: 0.09108599945221829
Energy: 0.09310112116187344
Energy: 0.09244141836993358
Energy: 0.010401684122222714
Energy: 0.0105448032251625
Energy: 0.09452198586531557
Energy: 0.09117331243610048
Energy: 0.0929242574133862
Energy: 0.011072110378191658
Energy: 0.009802502114740125
Energy: 0.09182358234839345
Energy: 0.09102807852559842
Energy: 0.0917305878635779
Energy: 0.09171098785292686
Energy: 0.09346798873324123
Energy: 0.010936959222766888
Energy: 0.009972136422318275
Energy: 0.09157689794671615
Energy: 0.09215404370083645
Energy: 0.09308169572444373
Energy: 0.011605620551479031
Energy: 0.09186767051039864
Energy: 0.09341067516611076
Energy: 0.09146586649128678
Energy: 0.09188526319629323
Energy: 0.010258578302504772
Energy: 0.009675337239865635
Energy: 0.09387942588901488
Energy: 0.0911694072338229
Energy: 0.09223301618393873
Energy: 0.010563199448613614
Energy: 0.009726034399249994
Energy: 0.00973486088790448
Energy: 0.09383665046120106
Energy: 0.09211648045676495
Energy: 0.09341398927778395
Energy: 0.09435934797943131
Energy: 0.009811447443829509
Energy: 0.09448256256029192
Energy: 0.09188540036742068
Energy: 0.09208388476889683
Energy: 0.09364498375938529

minimum gb energy = 0.00933632233977794 eV
minimum distance =  2.83011130522636 Angstroms
sigma value = 3


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

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Energy: 0.6460936684760354
Energy: 0.6920920473375437
Energy: 0.6484627486464417
Energy: 0.6705619240393376
Energy: 0.6675976312609897
Energy: 0.6465372086686374
Energy: 0.6915141838806818
Energy: 0.6495798727867332
Energy: 0.7171103524527503
Energy: 0.6706782612613034
Energy: 0.752461627863595
Energy: 0.6503594877981189
Energy: 0.6493524373272159
Energy: 0.5674592813616458
Energy: 0.567359967812129
Energy: 0.7947753318049062
Energy: 0.6914837625138814
Energy: 0.65037910370899
Energy: 0.660027638293477
Energy: 0.6028950383758362
Energy: 0.7445620925487271
Energy: 0.6373653632678479
Energy: 0.5655145344392237
Energy: 0.566912158799303
Energy: 0.5645713051413467
Energy: 0.7442522129942796
Energy: 0.6377477833597036
Energy: 0.564751581023033
Energy: 0.6643470429153576
Energy: 0.6035680872921874
Energy: 0.908034066053984
Energy: 0.6390594113210039
Energy: 0.564420392211868
Energy: 0.5675112309565186
Energy: 0.5649106080333637
Energy: 0.6887037770418586
Energy: 0.637851978126744
Energy: 0.6393139038413784
Energy: 0.6602457840800916
Energy: 0.6834539588285287
Energy: 0.7239691624034066
Energy: 0.7628630323960277
Energy: 0.7948243620148631
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Energy: 0.7524287128688792
Energy: 0.7221367023467544
Energy: 0.6834902683574338
Energy: 0.7140132995770998
Energy: 0.6521794033122909
Energy: 0.7441887381342225
Energy: 0.7207768746032562
Energy: 0.6835935770865795
Energy: 0.711607887644655
Energy: 0.6580920021135338
Energy: 0.7459313391123523
Energy: 0.7497035628610533
Energy: 0.6589456515544085
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Energy: 0.7378547261872382
Energy: 0.8072527701977892
Energy: 0.7377376569341176
Energy: 0.8313983844819435
Energy: 0.6199672122585185
Energy: 0.7336060802241358
Energy: 0.8021898153916196
Energy: 0.7366571434055356
Energy: 0.5350297724218721
Energy: 0.7140615159733525
Energy: 0.7464580047446141
Energy: 0.8045028939651806
Energy: 0.7964532390194083
Energy: 0.6710423139426758
Energy: 0.6732908161044889
Energy: 0.8004829016712773
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Energy: 0.8050859977547031
Energy: 0.7408358370518964
Energy: 0.7411854492567794
Energy: 0.8019849305934953
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Energy: 0.6207957650508995
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Energy: 0.7975069436676433
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Energy: 0.7630357431558114
Energy: 0.7630885233778081
Energy: 0.8401908371011708
Energy: 0.5340874533940823
Energy: 0.5346747912485621
Energy: 0.7639844590938671
Energy: 0.7637907790742814
Energy: 0.8028224177873581
Energy: 0.738892319902873
Energy: 0.695480225660484
Energy: 0.7635143754359714
Energy: 0.6956278597637897
Energy: 0.6939625821266195
Energy: 0.6897342287501925
Energy: 0.696754415118133
Energy: 0.7634566506097719
Energy: 0.7636498097676122
Energy: 0.7384400072871784
Energy: 0.6314262830583618
Energy: 0.7264294910683595
Energy: 0.7649373549278763
Energy: 0.733490169106867
Energy: 0.5342349484309228
Energy: 0.5339889376067576
Energy: 0.6960767135956096
Energy: 0.7638873257097426
Energy: 0.7627597080825278
Energy: 0.5349939291420397
Energy: 0.5479255761982468
Energy: 0.6684329634098056
Energy: 0.6374646014794348
Energy: 0.6080774313322015
Energy: 0.5338554885668382
Energy: 0.545200012876007
Energy: 0.6683732221372288
Energy: 0.6373503808718597
Energy: 0.5450396793009484
Energy: 0.5333058246664775
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Energy: 0.6378104917718794
Energy: 0.6397498603251569
Energy: 0.5444511597794031
Energy: 0.6510785889852635
Energy: 0.5454438200619197
Energy: 0.6377322133222318
Energy: 0.6370216682391956
Energy: 0.608705750992704
Energy: 0.6554126300416349
Energy: 0.8135585045356398
Energy: 0.749915548025831
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Energy: 0.7145854920765206
Energy: 0.5344343475958705
Energy: 0.6277890622364031
Energy: 0.7639849816888421
Energy: 0.7065994442302433
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Energy: 0.7437681194430781
Energy: 0.7417834898498661
Energy: 0.7349647175021035
Energy: 0.7102885483002677
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Energy: 0.7443139142196369
Energy: 0.7459371112834735
Energy: 0.7178987699801761
Energy: 0.7260925036243933
Energy: 0.8134196655971111
Energy: 0.8006292917261317
Energy: 0.700307735793573
Energy: 0.6901852057971073
Energy: 0.7090844153004465
Energy: 0.7822551259492512
Energy: 0.723852206915633
Energy: 0.7825640979856264
Energy: 0.6769232324364166
Energy: 0.6212893098719031
Energy: 0.6201336833451961
Energy: 0.810791204151517
Energy: 0.7938764543202984
Energy: 0.7411407432337211
Energy: 0.7453226975425229
Energy: 0.803209175801958
Energy: 0.8029872616377577
Energy: 0.7990917187919663
Energy: 0.6075236407357629
Energy: 0.6741442417555789
Energy: 0.7978599988328697
Energy: 0.7288389392299988
Energy: 0.807215648551123
Energy: 0.6257919612639611
Energy: 0.668800052510321
Energy: 0.7246488130763155
Energy: 0.7240120421340805
Energy: 0.6484054899731133
Energy: 0.6175423173309059
Energy: 0.6820456995003372
Energy: 0.7967218182165627
Energy: 0.6010623604356026
Energy: 0.6472440877705948
Energy: 0.7104831143153605
Energy: 0.630396970987305
Energy: 0.6407901111069484
Energy: 0.63618696558195
Energy: 0.6880940938862862
Energy: 0.6227395590998599
Energy: 0.65434628927336
Energy: 0.6419317708402623
Energy: 0.5810228514147447
Energy: 0.6501042159395276
Energy: 0.6516839288601743
Energy: 0.6361397562727693
Energy: 0.6428711039913896
Energy: 0.6322043166264065
Energy: 0.7120925187650778
Energy: 0.6474669323446431
Energy: 0.6947229997349641
Energy: 0.6413557640753418
Energy: 0.7808939190066015
Energy: 0.6251900371926259
Energy: 0.6484274095693868
Energy: 0.6421205017325776
Energy: 0.7372242424697805
Energy: 0.5653540702621895
Energy: 0.5676017003028029
Energy: 0.7059882492800449
Energy: 0.8067630790547967
Energy: 0.7360687509246564
Energy: 0.6834595789945954
Energy: 0.7377829209390768
Energy: 0.6824139398237031
Energy: 0.7194317050094203
Energy: 0.7443615450133022
Energy: 0.6547332468250473
Energy: 0.5665125587420493
Energy: 0.654722054954799
Energy: 0.7463750441007764
Energy: 0.7438486608535607
Energy: 0.5993018393904169
Energy: 0.6699948727634668
Energy: 0.6918583053855998
Energy: 0.6924065539776848
Energy: 0.6671662821735966
Energy: 0.5668097232185073
Energy: 0.5670874107372704
Energy: 0.6919233347502898
Energy: 0.6494810167845609
Energy: 0.7992247574237097
Energy: 0.7197760299832835
Energy: 0.6460012907561397
Energy: 0.7411219554155853
Energy: 0.6486647548327517
Energy: 0.6703788039822525
Energy: 0.6676108527778503
Energy: 0.6463475589143016
Energy: 0.6922470428227243
Energy: 0.6496004172109708
Energy: 0.7175207932646406

minimum gb energy = 0.5326170760789404 eV
minimum distance =  2.4725927611659 Angstroms
sigma value = 75


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

Energy: 2.005690297975262
Energy: 0.8156877055567321
Energy: 0.8431801507517028
Energy: 0.8427747933173062
Energy: 0.7943343301085157
Energy: 0.7961475011729772
Energy: 0.8266693185139443
Energy: 0.7338018071883807
Energy: 0.8433249170707852
Energy: 0.7932567132362945
Energy: 0.78704956905674
Energy: 0.8653178956133014
Energy: 0.7338441469406206
Energy: 0.7350639529360818
Energy: 0.7302198370345601
Energy: 0.7455940804260898
Energy: 0.8347156513144097
Energy: 0.7213209416966464
Energy: 0.7713519647509295
Energy: 0.7554780454898276
Energy: 0.745555373802459
Energy: 0.8798879559543608
Energy: 0.8719835609437178
Energy: 0.7495500559848839
Energy: 0.7403160487986725
Energy: 0.7435019904170659
Energy: 0.8798349166246543
Energy: 0.8720039107984886
Energy: 0.7442849006911362
Energy: 0.7133126584355792
Energy: 0.7888389069392544
Energy: 0.7905879965511348
Energy: 0.8498106963020073
Energy: 0.7435566821187877
Energy: 0.7140010513229064
Energy: 0.7927831287116054
Energy: 0.7491002356021094
Energy: 0.7393304831261536
Energy: 0.7513950571093457
Energy: 0.740369836513457
Energy: 0.8253077085052969
Energy: 0.7272600117052509
Energy: 0.8492811961300907
Energy: 0.8673960849387807
Energy: 0.8648120444742421
Energy: 0.8304805371836553
Energy: 0.737138177866155
Energy: 0.8146485830805641
Energy: 0.865188459831924
Energy: 0.865603306253963
Energy: 0.8677461755023718
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Energy: 0.8568088565907535
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Energy: 0.8645252583357469
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Energy: 0.7919052502203805
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Energy: 0.8213100604787972
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Energy: 0.7811295507462952
Energy: 0.7315170962276951
Energy: 0.7390470061840053
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Energy: 0.8135033884849487
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Energy: 0.8196526195916979
Energy: 0.7779399084787091
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Energy: 0.8260055654533748
Energy: 0.7631930113236487
Energy: 0.9061711288309126
Energy: 0.7636872048537667
Energy: 0.7977606789607035
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Energy: 0.7643769573681715
Energy: 0.8916137598483784
Energy: 0.8669520235562154
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Energy: 0.8493955494952272
Energy: 0.8594450002731779
Energy: 0.8442830525820247
Energy: 0.8491303314729893
Energy: 0.8409525567952435
Energy: 0.8615630201993368
Energy: 0.855167984582326
Energy: 0.8416054763120777
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Energy: 0.8709109379163686
Energy: 0.7272695131706505
Energy: 0.8492623072803169
Energy: 0.7627390452412625
Energy: 0.8883505076367723
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Energy: 0.7325699343340359
Energy: 0.8614920988657822
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Energy: 0.7826258447000194
Energy: 0.7801301141935306
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Energy: 0.77410051070243
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Energy: 0.7935090148747687
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Energy: 0.8013738589513312
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Energy: 0.8142071928556627
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Energy: 0.89331545789019
Energy: 0.7787659889927877
Energy: 0.8138886312123104
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minimum gb energy = 0.688920544518907 eV
minimum distance =  2.51425603670823 Angstroms
sigma value = 105


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

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Energy: 0.8665797931546084
Energy: 0.7686829012994494
Energy: 0.8352705419497569
Energy: 0.8468121197541072
Energy: 0.7145074895105283
Energy: 0.8989783809031572
Energy: 0.7749943830907056
Energy: 0.8807377663151886
Energy: 0.8636856962220628
Energy: 0.7686016250015252
Energy: 0.8420989224690321
Energy: 0.8147593358824717
Energy: 0.8431877245399816
Energy: 0.857117732872616
Energy: 0.7693152590735214
Energy: 0.8813543297519297
Energy: 0.8102322092747201
Energy: 0.9234679726040002
Energy: 0.8700019650820912
Energy: 0.8800200585876974
Energy: 0.8360504190356725
Energy: 0.8761033173680307
Energy: 0.9199984794746755
Energy: 0.8645231154441603
Energy: 0.8802046565461834
Energy: 0.8412849142207178
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Energy: 0.715119460493757
Energy: 0.7142638029109097
Energy: 0.7710784048101675
Energy: 0.8661187611451256
Energy: 0.8341915250705273
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Energy: 0.766036243869143
Energy: 0.7864650073112217
Energy: 0.8012788160771133
Energy: 0.8393684408291632
Energy: 0.752326955575982
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Energy: 0.8414238821528237
Energy: 0.834471492650557
Energy: 0.7570376721899151
Energy: 0.7528085054100232
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Energy: 0.7927198289563394
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Energy: 0.7450197408755224
Energy: 0.850350019137215
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Energy: 0.8095314766375744
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Energy: 0.8585895775633434
Energy: 0.861838283335355
Energy: 0.8092599345141214
Energy: 0.8090766957457364
Energy: 0.7795767225557788
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Energy: 0.766232874469276
Energy: 0.8495078480491493
Energy: 0.8029005507225497
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Energy: 0.8499088660823484
Energy: 0.7669168570495272
Energy: 0.8251058116456733
Energy: 0.8238054353893299
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Energy: 0.8089883529309838
Energy: 0.745116246418441
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Energy: 0.7777415923312432
Energy: 0.825129525597485
Energy: 0.7444666662552414
Energy: 0.8301068115686999
Energy: 0.7928085133726814
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Energy: 0.8199297581947271
Energy: 0.8130093272095846
Energy: 0.8354691531936418
Energy: 0.7943949894732643
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Energy: 0.8099601965864265
Energy: 0.715680128903671
Energy: 0.719863817651381
Energy: 0.8075922670458773
Energy: 0.8202751113548059
Energy: 0.7812618665086184
Energy: 0.7159658665207645
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Energy: 0.8266973538758646
Energy: 0.7770368418359636
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Energy: 0.7218355384046513
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Energy: 0.7915942289117421
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Energy: 0.7212013501965746
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Energy: 0.79204063063179
Energy: 0.883876791100154
Energy: 0.842068133714773
Energy: 0.7945880907586912
Energy: 0.839287295159296
Energy: 0.792108775502766
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Energy: 0.8205783417980183
Energy: 0.8390055536558022
Energy: 0.8416941612439268
Energy: 0.8655530131225116
Energy: 0.8710017112520336
Energy: 0.8724710809996026
Energy: 0.881160916454591
Energy: 0.9003215467470498
Energy: 0.8530740094973384
Energy: 0.863203344307358
Energy: 0.868345175847455
Energy: 0.8726717907418752
Energy: 0.8080247626022156
Energy: 0.8121130070062256
Energy: 0.7931733875438143
Energy: 0.9178678093406017
Energy: 0.7676812877124731
Energy: 0.8106886834030497
Energy: 0.8418062515495136
Energy: 0.8187753054842525
Energy: 0.8628702961852447
Energy: 0.7211760215595522
Energy: 0.7681307168415599
Energy: 0.8353371834507881
Energy: 0.792212170273214
Energy: 0.7972358412046177
Energy: 0.8369633553559883
Energy: 0.7680915630990476
Energy: 0.8392442465599762
Energy: 0.8232844708087839
Energy: 0.7747379907350036
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Energy: 0.9288359148093407
Energy: 0.7953394061485743
Energy: 0.8361999887379733
Energy: 0.7986824961048902
Energy: 0.8105387332344415
Energy: 0.9182206838345429
Energy: 0.8209191918841119
Energy: 0.8401299618677466
Energy: 0.8145122946312134
Energy: 0.8385727163614665
Energy: 0.9170396561009334
Energy: 0.7821116891631805
Energy: 0.8192873369746694
Energy: 0.8073106275294555
Energy: 0.8696499614829434
Energy: 0.9148215122502071
Energy: 0.7938852786314604
Energy: 0.8844768361647168
Energy: 0.8075529485327826
Energy: 0.8805790896550729
Energy: 0.8588648330263876
Energy: 0.9252055551926264
Energy: 0.9250419602901759
Energy: 0.8079063150003715
Energy: 0.8741333649589756
Energy: 0.7453979292080037
Energy: 0.9173755806481149
Energy: 0.9186482408351725
Energy: 0.8116177991116088
Energy: 0.8768382241781767
Energy: 0.8090927185534211
Energy: 0.8443883181761357
Energy: 0.8379039553107498
Energy: 0.7155058512126079
Energy: 0.8469772977956698
Energy: 0.8087900278134919
Energy: 0.8016388672392584
Energy: 0.8362937926693237
Energy: 0.7146312338965475
Energy: 0.8194804145558836
Energy: 0.876769273969467
Energy: 0.82606382228767
Energy: 0.8381112348597322
Energy: 0.754669739833684
Energy: 0.8260559079196313
Energy: 0.8376855746074305
Energy: 0.8404396235454903
Energy: 0.8374277390363942
Energy: 0.7513806508940226
Energy: 0.8263152986925535
Energy: 0.8357638569914086
Energy: 0.858043066761075
Energy: 0.7145110324026294
Energy: 0.8370299835588849
Energy: 0.7620945623525452
Energy: 0.7857756598076859
Energy: 0.846437307436669
Energy: 0.7445965644100693
Energy: 0.8368375169082666
Energy: 0.869122993483001
Energy: 0.8469311522350114
Energy: 0.8606275076798685
Energy: 0.859506433509268
Energy: 0.785145537579334
Energy: 0.8093610328688972
Energy: 0.7858333616582014
Energy: 0.7848649961808027
Energy: 0.7844427457419891
Energy: 0.7539398033753891
Energy: 0.7667814170879979
Energy: 0.8074424784262734
Energy: 0.8463585358073711
Energy: 0.8571518247205827
Energy: 0.8570402460233753
Energy: 0.7667320929305462
Energy: 0.7854831573799105
Energy: 0.7840539071328704
Energy: 0.8459901655480069
Energy: 0.8462555457434859
Energy: 0.7865155121256581
Energy: 0.8085687820911052
Energy: 0.7884945652192494
Energy: 0.7666211867624393
Energy: 0.7860794851493316
Energy: 0.7516876313010333
Energy: 0.854403604356915
Energy: 0.7880563035104702
Energy: 0.8371236804650957
Energy: 0.8360103528544452
Energy: 0.7532026366092629
Energy: 0.8349068289284262
Energy: 0.8391928520262075
Energy: 0.7857981614595838
Energy: 0.8199266480688959
Energy: 0.8344000609091418
Energy: 0.8614371965146869
Energy: 0.8899601494863177
Energy: 0.785915772202305
Energy: 0.8196880314260727
Energy: 0.8343494075813251
Energy: 0.8571303398475094
Energy: 0.8403821000953194
Energy: 0.7165360726651385
Energy: 0.7163269125039111
Energy: 0.7871113609090261
Energy: 0.7677715631363197
Energy: 0.7993219555883736
Energy: 0.7161405682090274
Energy: 0.7155556057711334
Energy: 0.8376023194882666
Energy: 0.7546335178461553
Energy: 0.7130852666786258
Energy: 0.7151059499603836
Energy: 0.715077310883222
Energy: 0.7127863669053891
Energy: 0.7074489765323875
Energy: 0.7129424165547914
Energy: 0.7157112963285829
Energy: 0.7150243100709247
Energy: 0.8110296410884569

minimum gb energy = 0.7074489765323875 eV
minimum distance =  2.47052697089486 Angstroms
sigma value = 165


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

Energy: 1.2063879807587936
Energy: 0.7675024614757694
Energy: 0.7673792709214392
Energy: 0.7950540003284466
Energy: 0.7914071831568404
Energy: 0.8063962684232783
Energy: 0.7681874725224035
Energy: 0.7672736515384786
Energy: 0.7953708113896819
Energy: 0.7910105198520384
Energy: 0.7978071593062391
Energy: 0.7957662629127475
Energy: 0.7628641019092255
Energy: 0.8230782866724636
Energy: 0.7681636481012202
Energy: 0.7961797303918319
Energy: 0.7961828968817869
Energy: 0.7950142995998395
Energy: 0.8034175523358245
Energy: 0.7684494918785895
Energy: 0.7648816982373458
Energy: 0.8221972867384811
Energy: 0.7922681773166568
Energy: 0.7722610620392492
Energy: 0.8116154346122386
Energy: 0.7727593432974732
Energy: 0.8218344144640793
Energy: 0.7733822971308796
Energy: 0.7724101491712968
Energy: 0.8141226758756073
Energy: 0.8129256739433119
Energy: 0.8197091492913258
Energy: 0.7992840061031723
Energy: 0.771760584767053
Energy: 0.7589983393523877
Energy: 0.8216875571273271
Energy: 0.7984172247734272
Energy: 0.7986603143215961
Energy: 0.7722536771484678
Energy: 0.8128693163786164
Energy: 0.7971900148065277
Energy: 0.7935568881084936
Energy: 0.8003105240341045
Energy: 0.8195687757412078
Energy: 0.7958651465704754
Energy: 0.7978036904551139
Energy: 0.7660566319701917
Energy: 0.8003554203676909
Energy: 0.8203179923466073
Energy: 0.7666859836848708
Energy: 0.8150406784964865
Energy: 0.7926119415835113
Energy: 0.7972063296628227
Energy: 0.7552475133848031
Energy: 0.7675483320627468
Energy: 0.795049579981136
Energy: 0.7927487144419614
Energy: 0.7968968171416807
Energy: 0.7581826883865798
Energy: 0.7677188502295965
Energy: 0.8241079330863046
Energy: 0.7973267928637248
Energy: 0.7950978275025444
Energy: 0.7663370218209841
Energy: 0.7676759756622893
Energy: 0.8421576749742602
Energy: 0.7970298739958067
Energy: 0.7954816131178819
Energy: 0.7668266312134121
Energy: 0.7680022937318424
Energy: 0.8111770674399471
Energy: 0.7637606709945428
Energy: 0.7959405478424821
Energy: 0.7976799816181531
Energy: 0.7965519468444899
Energy: 0.7555297309658849
Energy: 0.7640639333670595
Energy: 0.7957109151712787
Energy: 0.7980774345099042
Energy: 0.7645096938941818
Energy: 0.7552292568722954
Energy: 0.8252266127044664
Energy: 0.7654455401202244
Energy: 0.7958462653392584
Energy: 0.8001603082733036
Energy: 0.7553956296200983
Energy: 0.7967642531403207
Energy: 0.7659707739110292
Energy: 0.7957676441568252
Energy: 0.7642015850973767
Energy: 0.8444055590008689
Energy: 0.7731926711997389
Energy: 0.7967204948499563
Energy: 0.7955792365511605
Energy: 0.8065466359729848
Energy: 0.8450575199875604
Energy: 0.7675943155977559
Energy: 0.7977529302300779
Energy: 0.7958853566449299
Energy: 0.7676254219919609
Energy: 0.8109889251530438
Energy: 0.7731840514634996
Energy: 0.7662365766671555
Energy: 0.8191158433829762
Energy: 0.8124677291748852
Energy: 0.7977924195231936
Energy: 0.773358051354352
Energy: 0.7660922821250474
Energy: 0.8194184695798948
Energy: 0.7578835307360535
Energy: 0.7981914156973813
Energy: 0.7968948375626718
Energy: 0.8072288061008134
Energy: 0.7959235243725572
Energy: 0.7549169404272333
Energy: 0.798146040669037
Energy: 0.7963586642977266
Energy: 0.797988461668851
Energy: 0.7965398662788609
Energy: 0.8328275670352115
Energy: 0.815022299424878
Energy: 0.7943192058452689
Energy: 0.7646325225026185
Energy: 0.7960839562195504
Energy: 0.766388087140651
Energy: 0.8144819739226097
Energy: 0.7918880853939331
Energy: 0.7646803201649341
Energy: 0.7962825141236087
Energy: 0.76645878382947
Energy: 0.7976651770733024
Energy: 0.7912643616201481
Energy: 0.7667678107935728
Energy: 0.7599007782263646
Energy: 0.7997645571267937
Energy: 0.7986267352142353
Energy: 0.7913183214084079
Energy: 0.7660794395846728
Energy: 0.7590103431137156
Energy: 0.8005350947978008
Energy: 0.7597541464089111
Energy: 0.7983528815431573
Energy: 0.7949762361021178
Energy: 0.7685692835370447
Energy: 0.7960435029783103
Energy: 0.789804488638509
Energy: 0.7953605977274457
Energy: 0.7951614790704914
Energy: 0.7673108397901099
Energy: 0.7961241995070062

minimum gb energy = 0.7549169404272333 eV
minimum distance =  2.59402356902833 Angstroms
sigma value = 41


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

Energy: 0.7223978053961654
Energy: 0.6549953574554236
Energy: 0.6825517989639452
Energy: 0.6580160512799016
Energy: 0.6378062991337428
Energy: 0.724766850847296
Energy: 0.6547589004851714
Energy: 0.6851086067860599
Energy: 0.6833725846729474
Energy: 0.7533721549252131
Energy: 0.7447929008737804
Energy: 0.7205266344277501
Energy: 0.6573473785072919
Energy: 0.7061632189454272
Energy: 0.736787984849761
Energy: 0.7398403472842181
Energy: 0.6517355317348786
Energy: 0.6822734308171969
Energy: 0.7254221778153029
Energy: 0.8034273644671331
Energy: 0.7052099944133474
Energy: 0.7279915264737945
Energy: 0.7131758614300628
Energy: 0.7224850487796981
Energy: 0.7621395945544079
Energy: 0.7145526169666786
Energy: 0.7122079398380838
Energy: 0.7403876624539287
Energy: 0.7265171267652687
Energy: 0.7485248903008882
Energy: 0.7551585411050961
Energy: 0.7081550985242051
Energy: 0.7778758085391103
Energy: 0.7154985819288232
Energy: 0.7421669009711188
Energy: 0.7560436567799509
Energy: 0.6824737979953833
Energy: 0.712109589294881
Energy: 0.7310735846318551
Energy: 0.7441143936854138
Energy: 0.758745602290279
Energy: 0.7586176324528568
Energy: 0.7242790620419461
Energy: 0.7262702772037143
Energy: 0.7150138103262996
Energy: 0.7089391635704733
Energy: 0.7075375241368339
Energy: 0.7779022235143079
Energy: 0.7608591795286224
Energy: 0.7435788163713415
Energy: 0.7828863323745057
Energy: 0.6902944634626259
Energy: 0.7073592024480376
Energy: 0.6723631929936716
Energy: 0.7536499861864818
Energy: 0.7782281936592353
Energy: 0.7409760076361696
Energy: 0.7615287277197
Energy: 0.6716011311697636
Energy: 0.736695980565449
Energy: 0.7320911422195368
Energy: 0.7590259465423165
Energy: 0.7588604767579028
Energy: 0.6710067833894603
Energy: 0.7447851207433983
Energy: 0.7215227005735874
Energy: 0.7118897457776711
Energy: 0.7123240193975499
Energy: 0.702744777531867
Energy: 0.7544961330710493
Energy: 0.7263209681864361
Energy: 0.7180654983338476
Energy: 0.6730182650091563
Energy: 0.7183962760869758
Energy: 0.7020812393991279
Energy: 0.6806528583838583
Energy: 0.6970007184970821
Energy: 0.7001916465858007
Energy: 0.6888927111694039
Energy: 0.7015978727994917
Energy: 0.7249962021677643
Energy: 0.7010354136745327
Energy: 0.6924481500555789
Energy: 0.6710323904463754
Energy: 0.6951348599292382
Energy: 0.7247468017330566
Energy: 0.6922372306145317
Energy: 0.7210333922993212
Energy: 0.6754735522378807
Energy: 0.7179405314486632
Energy: 0.7442676135976548
Energy: 0.6985536003940811
Energy: 0.7046442500901099
Energy: 0.6736655735353856
Energy: 0.757033660628015
Energy: 0.7351942536335045
Energy: 0.71751989998879
Energy: 0.6742645814139636
Energy: 0.6990064747147103
Energy: 0.756996105003038
Energy: 0.6983512818526679
Energy: 0.7042757343766242
Energy: 0.687021358041916
Energy: 0.7024224884468085
Energy: 0.7287983223892887
Energy: 0.6936449197421947
Energy: 0.6723999900060322
Energy: 0.6993741969610646
Energy: 0.6969882322306309
Energy: 0.746678942985945
Energy: 0.6984501898340751
Energy: 0.69058304929135
Energy: 0.6726957851939036
Energy: 0.6930140221397456
Energy: 0.754651108133174
Energy: 0.7070548561136634
Energy: 0.6991171923607937
Energy: 0.6730492878889538
Energy: 0.7466392817745486
Energy: 0.7525661672992433
Energy: 0.7012595903313541
Energy: 0.7006684521076655
Energy: 0.6740932645686128
Energy: 0.741326233969217
Energy: 0.7338843741790162
Energy: 0.7147452918474194
Energy: 0.6991829480765941
Energy: 0.673663303647655
Energy: 0.7311198171185627
Energy: 0.6875206205323545
Energy: 0.6753348252111961
Energy: 0.7007795450491875
Energy: 0.6797210383969259
Energy: 0.7478965138602516
Energy: 0.7406823359203426
Energy: 0.6993876607978403
Energy: 0.7014644441648303
Energy: 0.6731640918021922
Energy: 0.7371666967686379
Energy: 0.7269992732160535
Energy: 0.6730541987813435
Energy: 0.74159969676881
Energy: 0.7638152594477664
Energy: 0.7939263612615993
Energy: 0.7583841452043519
Energy: 0.6521995895926684
Energy: 0.7392987981649664
Energy: 0.7453214131103303
Energy: 0.7523671206982914
Energy: 0.7277721067717641
Energy: 0.6740787432687623
Energy: 0.7314857145312862
Energy: 0.7611738761039585
Energy: 0.7342916264021488
Energy: 0.7317288410237841
Energy: 0.6776335079889748
Energy: 0.7313324535385234
Energy: 0.76223020705292
Energy: 0.7339784712329063
Energy: 0.7318170856342343
Energy: 0.6737648096188033
Energy: 0.7280900061571617
Energy: 0.7533160344525877
Energy: 0.7613609020669576
Energy: 0.7258768656419157
Energy: 0.762349238766697
Energy: 0.7400186389554345
Energy: 0.7538172165643021
Energy: 0.7637214118294204
Energy: 0.7469353828372273
Energy: 0.7346565278180301
Energy: 0.7757539834300974
Energy: 0.7955227722397267
Energy: 0.7624904977315513
Energy: 0.6889343499415103
Energy: 0.7663492932258847
Energy: 0.7593920106552862
Energy: 0.7273829420525668
Energy: 0.7648193659109593
Energy: 0.6890003255237872
Energy: 0.767274296359796
Energy: 0.7566967791896423
Energy: 0.7521139276075363
Energy: 0.7650072860902422
Energy: 0.7280172624158368
Energy: 0.7599394898718317
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Energy: 0.7519592470283168
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Energy: 0.6741876359557535
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Energy: 0.7418692590567595
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Energy: 0.7503410243288763
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Energy: 0.6828282484455173
Energy: 0.7442934780201086
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Energy: 0.7719718176823777
Energy: 0.6915342156567891
Energy: 0.7413250926683015
Energy: 0.7123438032194728
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Energy: 0.7138636633863842
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Energy: 0.7595462943176845
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Energy: 0.6583635694454798
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Energy: 0.7578531958854409
Energy: 0.7611008047472657
Energy: 0.7118488843308907
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Energy: 0.6985497496062836
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Energy: 0.7208916024394991
Energy: 0.6705834967213151
Energy: 0.6926533052260041
Energy: 0.7037470847120443
Energy: 0.742679502518335
Energy: 0.6906070103843298
Energy: 0.6849944582306271
Energy: 0.7151808110749643
Energy: 0.7322603442369343
Energy: 0.6626034188941804
Energy: 0.6648214818199092
Energy: 0.7201693961025123
Energy: 0.6584414035437148
Energy: 0.7544914335764557
Energy: 0.6978551378730904
Energy: 0.7226054734539269
Energy: 0.681037010398728
Energy: 0.6982793177474689
Energy: 0.7504676582511923
Energy: 0.6763084559109166
Energy: 0.6559382342103671
Energy: 0.6846188247186844
Energy: 0.6939401767972457
Energy: 0.6933550346210287
Energy: 0.683069075515495
Energy: 0.720543200392607
Energy: 0.687393315985797
Energy: 0.7696749929116278
Energy: 0.7596027438277931
Energy: 0.6876107245381198
Energy: 0.6833914797688603
Energy: 0.6541093943576913
Energy: 0.7160810024541697
Energy: 0.7480651405722584
Energy: 0.6822559209498542
Energy: 0.6550797856832562
Energy: 0.723419703407258
Energy: 0.7482565436275788
Energy: 0.6530667123910072
Energy: 0.682420200960456
Energy: 0.6569298424338088
Energy: 0.6526742973666068
Energy: 0.7308813118965146
Energy: 0.6573440514504955
Energy: 0.6587020728042631
Energy: 0.6588411444103064
Energy: 0.6720309644458101

minimum gb energy = 0.6378062991337428 eV
minimum distance =  2.60423762598202 Angstroms
sigma value = 185


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

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Energy: 0.445656685627163
Energy: 0.44256050292110516
Energy: 0.4589427289476529
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Energy: 0.43889344257019564
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Energy: 0.45369281493043084
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Energy: 0.43737875815868804
Energy: 0.3502473987988413
Energy: 0.4694401545117393
Energy: 0.47499616325353233
Energy: 0.43875498216488235
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Energy: 0.34932794685396
Energy: 0.44154106024112477
Energy: 0.45475948430899943
Energy: 0.43944370551627315
Energy: 0.3554771652152478
Energy: 0.35178883897019014
Energy: 0.4445769942619674
Energy: 0.44111043000343314
Energy: 0.4383794380835579
Energy: 0.35354877250681155
Energy: 0.35184009201462363
Energy: 0.44287798630796515
Energy: 0.4774527147609259
Energy: 0.43769234416787295
Energy: 0.4618761332151703
Energy: 0.46695789395402815
Energy: 0.438952591399206
Energy: 0.4423088910180298
Energy: 0.4545539449761658
Energy: 0.4428413089777208
Energy: 0.44150146900599563
Energy: 0.43979362793759175
Energy: 0.44022728839476716
Energy: 0.4621547179226558
Energy: 0.4116803316107812
Energy: 0.44018893334430215
Energy: 0.44177561090118744
Energy: 0.44276598563233754
Energy: 0.4382176521131665
Energy: 0.39085396611892514
Energy: 0.44011549187412374
Energy: 0.46106059509388375
Energy: 0.4456161500528774
Energy: 0.41531841570742556

minimum gb energy = 0.3025346014448421 eV
minimum distance =  2.63008695474701 Angstroms
sigma value = 33


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

Energy: 0.6578908002154766
Energy: 0.647768663210374
Energy: 0.6533726568331382
Energy: 0.6474480697033292
Energy: 0.6389536343624385
Energy: 0.6376230386726992
Energy: 0.647568456296855
Energy: 0.647212837326109
Energy: 0.6529292914522745
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Energy: 0.662334675476611
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Energy: 0.6601279100449579
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Energy: 0.6650848401591661
Energy: 0.6583443918071531
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Energy: 0.6471434385508025
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Energy: 0.6568429999984997
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Energy: 0.659646674170266
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Energy: 0.6556264672155626
Energy: 0.658567308808545
Energy: 0.6607198738894237
Energy: 0.6451940650081462
Energy: 0.6451299690888898
Energy: 0.6567619489045494
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Energy: 0.6583489915928356
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Energy: 0.6575671204993928
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Energy: 0.648585820312375
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Energy: 0.6434731390293681
Energy: 0.6541115840715773
Energy: 0.651875879018964
Energy: 0.6478959215654797
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Energy: 0.6519490230892443
Energy: 0.6511445996229369
Energy: 0.6514133707205398
Energy: 0.6502944388598715
Energy: 0.6464700169142569
Energy: 0.6573164727316071
Energy: 0.6535854327750105
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Energy: 0.6478855643809769
Energy: 0.6468295929817938
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Energy: 0.6542343252381414
Energy: 0.650983589741382
Energy: 0.64866493486422
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Energy: 0.6401289951260625
Energy: 0.647274528605586
Energy: 0.6478499407775062
Energy: 0.6541914529085059
Energy: 0.6510847278805776

minimum gb energy = 0.6327525768522326 eV
minimum distance =  2.56443536076506 Angstroms
sigma value = 219


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

Energy: 0.875874190720783
Energy: 0.8915963312227051
Energy: 0.8969371044601266
Energy: 0.8899873879326422
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Energy: 0.8842572218726721
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Energy: 0.8824830396789519
Energy: 0.895054020683071
Energy: 0.909251992230123
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Energy: 0.8811315615555733
Energy: 0.8988469069009711
Energy: 0.8957433641999435
Energy: 0.8956009971497159
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Energy: 0.8809119339520455
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Energy: 0.896892784062549
Energy: 0.8782835119591106
Energy: 0.9076598052744193
Energy: 0.8837297186141331
Energy: 0.8942256180198984
Energy: 0.8951753229415779
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Energy: 0.9077054829390796
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Energy: 0.8939371441368616
Energy: 0.8920627229144896
Energy: 0.8936788164270474
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Energy: 0.8948046977319883
Energy: 0.8936049110968279
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Energy: 0.8794876354370994
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Energy: 0.903788442400415
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Energy: 0.8890267136503399
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Energy: 0.89565747657519
Energy: 0.8830378763305659
Energy: 0.9012063883095415
Energy: 0.9091984875242634
Energy: 0.9044537137305025
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Energy: 0.9094735386241771
Energy: 0.9158102456405667
Energy: 0.8894323111350287
Energy: 0.8781638097598816
Energy: 0.8785764665326109
Energy: 0.9034194763804602
Energy: 0.895750600413779
Energy: 0.8899423498302247
Energy: 0.909195390508104
Energy: 0.8788290263313349
Energy: 0.889456579613765
Energy: 0.8907662097028093
Energy: 0.8955573038998283
Energy: 0.905035162191568
Energy: 0.8912397615124501
Energy: 0.8829207214766295
Energy: 0.8946714838805306
Energy: 0.8961850114194443
Energy: 0.917432315951518
Energy: 0.8951086771295337
Energy: 0.8829077658170277
Energy: 0.8840286249961637
Energy: 0.894762268726677
Energy: 0.9006514555307851
Energy: 0.8950293618268794
Energy: 0.8827363528554771
Energy: 0.8896346794003408
Energy: 0.8942458341313103

minimum gb energy = 0.875874190720783 eV
minimum distance =  2.59945545965441 Angstroms
sigma value = 15


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

Energy: 0.9928086388742066
Energy: 1.009376269048087
Energy: 1.0382886387303571
Energy: 1.002874743046324
Energy: 1.0161636592327679
Energy: 0.9910028655186996
Energy: 1.0082367989548502
Energy: 1.019082193307219
Energy: 1.0029637478955353
Energy: 1.0163429076352213
Energy: 1.0389708611123036
Energy: 1.0062847154891152
Energy: 1.0028837422915722
Energy: 1.0027161638125468
Energy: 1.0056676679361387
Energy: 1.0127331375991557
Energy: 1.0060701814072457
Energy: 1.0046009956739617
Energy: 1.0022591833179275
Energy: 1.0075471580486326
Energy: 1.0046742170078693
Energy: 1.0034132269293246
Energy: 1.005196890725998
Energy: 1.0036578842221142
Energy: 1.0267184247649843
Energy: 1.0325775853282242
Energy: 1.0048888576339003
Energy: 1.0043506480048832
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minimum gb energy = 0.9860029744289414 eV
minimum distance =  2.56578633525737 Angstroms
sigma value = 293


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

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Energy: 1.036992957405529
Energy: 0.9875787556837398
Energy: 1.0479231704129282
Energy: 1.0472755181525841
Energy: 0.9862831185030002
Energy: 1.0378527025972253
Energy: 0.9868717504049969
Energy: 1.048811020345295
Energy: 1.0490255976119167
Energy: 0.9869178983246131
Energy: 1.0021531979336253
Energy: 0.9843706048158357
Energy: 0.9876772323682049
Energy: 0.9871525113841018
Energy: 1.0129186586514394
Energy: 1.0376046388219984
Energy: 1.0558866616263372
Energy: 0.9881692512092425
Energy: 0.9876766934585817
Energy: 0.9884386486612092
Energy: 1.0379178550836359
Energy: 0.9829642261852254
Energy: 1.0459870370995523
Energy: 1.0308113469052196
Energy: 0.9862677194695109
Energy: 1.0351022697716337
Energy: 0.9862795806334806
Energy: 1.0642512890819904
Energy: 1.0310031163339661
Energy: 0.9861604201614963
Energy: 0.9829950302350726
Energy: 1.0084227536485986
Energy: 0.9868661625828324
Energy: 0.9872834308968326
Energy: 1.0132247445789855
Energy: 0.986801941286049
Energy: 0.9888695250758636
Energy: 0.986447289484458
Energy: 0.9883358014092987
Energy: 1.0134110268605798
Energy: 0.9864686101531103
Energy: 1.0159836166091234
Energy: 0.9877417666047403
Energy: 0.9875261917920983
Energy: 1.0553068558169512
Energy: 1.0467249710826674
Energy: 1.0199514379238823
Energy: 0.9882376257541375
Energy: 0.9877078833959508
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Energy: 1.0184727499204083
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Energy: 1.021194975316554
Energy: 1.0176713768939307
Energy: 1.0147726367172836
Energy: 0.9843973322516425
Energy: 0.9843650397732001
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Energy: 1.0185071707837483
Energy: 1.0326355795133757
Energy: 0.9852234368635779
Energy: 1.0318314487828923
Energy: 1.031363929473996
Energy: 0.9861901696708675
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Energy: 0.9850218639849184
Energy: 0.9885810969285088
Energy: 1.0314164692629402
Energy: 0.9861812153927139
Energy: 0.9872998500533504
Energy: 1.0319836720171591
Energy: 0.987103553332816
Energy: 1.0122668336728244
Energy: 0.9866282712278005
Energy: 0.9878546192111926
Energy: 0.9874576418266401
Energy: 0.987007106953729
Energy: 1.013100798292204
Energy: 0.986467381136978
Energy: 0.9850594560080657
Energy: 0.9856296255083565
Energy: 1.0102841142008125
Energy: 1.029909866443788
Energy: 1.0086378655468484
Energy: 0.9869280617532084
Energy: 0.9850609154411383
Energy: 1.0091117223366755
Energy: 1.0306770095503304
Energy: 1.0084690420906883
Energy: 0.9864572388621555
Energy: 0.9871373330103212
Energy: 1.0368575199367873
Energy: 1.0349300265293961
Energy: 0.982375557773046
Energy: 0.9860078946873753
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Energy: 1.0384279657462627
Energy: 1.0346953568210495
Energy: 0.9871410450335445
Energy: 1.020795750779406
Energy: 0.9881968643237121
Energy: 1.0369230879564135
Energy: 1.0185319814738192
Energy: 1.055794348244305
Energy: 1.0195593238756664
Energy: 0.9889665191543457
Energy: 0.9898189340105986
Energy: 1.0187480240356932
Energy: 1.0146803012489045
Energy: 1.0084184999554118
Energy: 0.9868657552797384
Energy: 1.071987975297754
Energy: 0.9816568964409673
Energy: 0.987219835262623
Energy: 0.9886245908666108
Energy: 0.9865783091684232
Energy: 0.9837802330905634
Energy: 0.9832832600164316
Energy: 0.9871165893201189
Energy: 0.9884238904682298
Energy: 0.9882544388817965
Energy: 0.9820815849050503
Energy: 0.9813889026710672
Energy: 1.017348453931827
Energy: 0.9876913622905114
Energy: 1.0087958759748457
Energy: 0.9814511359836624
Energy: 0.9810057279820621
Energy: 1.0165750469410562
Energy: 0.9884430793465009
Energy: 1.0160605296125276
Energy: 0.9882659451683867
Energy: 1.033272112335189
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Energy: 0.9887315084604411
Energy: 1.0146458965331466
Energy: 1.020831093431889
Energy: 0.9894279385595147
Energy: 0.9857208805270733
Energy: 1.0317084784404342
Energy: 1.0096279997563324
Energy: 0.9854191464307837
Energy: 1.0550948546448307
Energy: 0.9870993726353832
Energy: 1.0316799712198876
Energy: 1.0096151934712916
Energy: 0.9847106061227116
Energy: 1.033970219568428
Energy: 0.9868442674989607
Energy: 0.9851810626573745
Energy: 0.9865157643716652
Energy: 1.0151366863924822
Energy: 1.0149078414135484
Energy: 1.032392992172596
Energy: 1.0158202578326831
Energy: 0.9856282547468314
Energy: 1.0542441779816163
Energy: 1.0145191305443357
Energy: 0.9849507480795433
Energy: 1.0589500047454568
Energy: 0.9866216946251591
Energy: 0.9870987110301647
Energy: 1.020976017944991
Energy: 0.9841566124867686
Energy: 1.030692237754533
Energy: 0.9863758495054634
Energy: 0.988188799989811
Energy: 1.0206918064732189
Energy: 0.9843640534393632
Energy: 0.9868761156184124
Energy: 1.0131827770016761
Energy: 0.9869196820352102
Energy: 0.9885559508316186
Energy: 0.985923625443914
Energy: 0.9873332858231341
Energy: 1.0121597911316282
Energy: 0.98736843921874
Energy: 0.9887457054786485
Energy: 0.986448280018758
Energy: 1.0080446081259307
Energy: 1.0310085191197556
Energy: 1.0096833120166582
Energy: 0.98589513718585
Energy: 0.9875121436437682
Energy: 1.0080654050104303
Energy: 1.03116323010975
Energy: 1.013446752249759
Energy: 0.9850730435329236
Energy: 0.9863862237610618
Energy: 0.9869990858892405
Energy: 1.036673552376334
Energy: 0.9876459150051861
Energy: 1.0315259974094897
Energy: 1.0369142301413687
Energy: 0.9824078511640597
Energy: 1.034874785131137
Energy: 1.0377684386228652
Energy: 1.024036712450307
Energy: 1.0370735585501603
Energy: 0.9882160494447623
Energy: 1.0307907915206658
Energy: 1.0164624893955767
Energy: 0.9862984501581673
Energy: 1.0376670328259099
Energy: 0.9867655565336034
Energy: 1.0558765633669027
Energy: 1.0634202942935072
Energy: 0.9865807948200661
Energy: 1.0378212013114843
Energy: 0.9820857009270076
Energy: 1.008364100917927
Energy: 0.9864289124191891
Energy: 1.015619211375332
Energy: 1.0452277961389804
Energy: 0.9815377150127388
Energy: 1.0086550718666638
Energy: 0.986817585461536
Energy: 1.0161275545678878
Energy: 1.073350735402394

minimum gb energy = 0.9810057279820621 eV
minimum distance =  2.57792732404723 Angstroms
sigma value = 293


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

Energy: 0.9993322101894263
Energy: 0.9904566429594905
Energy: 1.0503759785053561
Energy: 0.9913084017399513
Energy: 0.978173443966433
Energy: 0.981949280161788
Energy: 0.9908285137800069
Energy: 1.050995933660904
Energy: 0.9910518602216547
Energy: 0.978575175752735
Energy: 1.0544559508682836
Energy: 0.9896185450436749
Energy: 0.9888797976521507
Energy: 0.9892162476528594
Energy: 0.9889862960889794
Energy: 1.055554533972483
Energy: 0.9900713772034879
Energy: 0.9793037239922596
Energy: 0.9897269641781432
Energy: 0.9887119465060574
Energy: 0.9907293850611069
Energy: 0.9906844718076656
Energy: 0.9922791627161065
Energy: 0.9913749938026761
Energy: 1.0558368528010023
Energy: 0.9895886861700142
Energy: 0.990028099884727
Energy: 0.9910429602859772
Energy: 0.991944350879404
Energy: 1.054498102154546
Energy: 1.0516164548365523
Energy: 0.9791009226746499
Energy: 0.9795781753544096
Energy: 0.9887951605822469
Energy: 1.0538877930362154
Energy: 1.0512477575750443
Energy: 0.9794282185743428
Energy: 0.9788030760105927
Energy: 0.9896042499574673
Energy: 0.985767439312405
Energy: 0.990406887998307
Energy: 0.9786668357243745
Energy: 0.9800792250950732
Energy: 0.9914116515679834
Energy: 0.9904885117627346
Energy: 0.9893965062548739
Energy: 0.9798777492026393
Energy: 0.978997350138099
Energy: 0.9904022492712259
Energy: 0.9894622962078492
Energy: 0.9900533553240022
Energy: 1.0513659457646274
Energy: 0.9895304540192185
Energy: 0.9911673146921921
Energy: 0.9789264911678184
Energy: 0.9910230415240148
Energy: 1.0504999246933964
Energy: 0.9907331718918975
Energy: 0.9928582006741682
Energy: 0.9784258229260304
Energy: 1.0510037998214607
Energy: 0.984419767007579
Energy: 0.9888500951138768
Energy: 0.9896022596595215
Energy: 0.9905437561794023
Energy: 1.0511235010570594
Energy: 0.9836666046133593
Energy: 0.9886972244222015
Energy: 0.9894889824887358
Energy: 0.9902678065919841
Energy: 0.9897432199316181
Energy: 1.056681346182346
Energy: 0.9919671523207132
Energy: 0.9804064996366258
Energy: 0.9786521218942401
Energy: 0.9902345335331941
Energy: 1.0582612008733785
Energy: 0.9919355930788322
Energy: 0.9989249053910974
Energy: 0.9785161490222233
Energy: 0.9896374978782592
Energy: 0.9796676498808516
Energy: 0.9885630658579103
Energy: 0.9805391375148141
Energy: 1.0544770828268126
Energy: 0.9890803227199945
Energy: 0.9890170061080953
Energy: 0.9884066424455576
Energy: 0.981696384267744
Energy: 1.0541183706479458
Energy: 0.9930811041020238
Energy: 0.9923839102911626
Energy: 1.0588686233543938
Energy: 1.050926570808193
Energy: 0.9920386617810256
Energy: 0.9954387361040178
Energy: 0.995333151461403
Energy: 1.0563675869977478
Energy: 1.0529379322283146
Energy: 0.991151811777804
Energy: 0.9789901146306458
Energy: 0.9890280574300793
Energy: 0.9949546316663589
Energy: 1.0515377084109403
Energy: 1.0548870823857048
Energy: 0.9788383198558531
Energy: 0.9891684581155386
Energy: 0.9834934383341891
Energy: 1.0511550152085272
Energy: 1.0553685115677403
Energy: 0.9994947681293066
Energy: 0.9905123938300927
Energy: 0.9926755127937021
Energy: 0.9919153071467839
Energy: 0.9781021601663086
Energy: 0.9991013333244964
Energy: 0.9906770190631812
Energy: 0.9917448316622068
Energy: 0.9915004021398905
Energy: 0.9784444684528275
Energy: 1.0543230749821026
Energy: 0.9894825969494503
Energy: 0.9888100524668385
Energy: 0.9892529608301437
Energy: 0.9886664241871609
Energy: 1.0554353749635526
Energy: 0.9899885695151067
Energy: 0.9794371487202883
Energy: 0.9897130318569561
Energy: 0.988755202329115
Energy: 0.9910595807394764
Energy: 0.9911371731317447
Energy: 0.9926892062203252
Energy: 0.9917489664260429
Energy: 1.0555300776059833
Energy: 0.9897387185338562
Energy: 0.990040662199355
Energy: 0.9914177945048717
Energy: 1.0513087204832123
Energy: 1.054645962757215
Energy: 1.0520798694671203
Energy: 0.9790688407016566
Energy: 0.9797574253518645
Energy: 0.9886674917109479
Energy: 1.0539114880351592
Energy: 1.051666013689666
Energy: 0.9793629263473529
Energy: 0.9789338476129963
Energy: 0.989414164451604
Energy: 1.055252204699538
Energy: 0.9905910747049664
Energy: 0.9787199770266009
Energy: 0.9803016551942474
Energy: 0.9914516318417348
Energy: 0.9905343648382349
Energy: 0.9894777808709558
Energy: 0.9797885101967275
Energy: 0.9791966944971072
Energy: 0.9904575505627877
Energy: 0.9896708089477848
Energy: 0.989862199682381
Energy: 1.0514365142679354
Energy: 0.9895016662080885
Energy: 0.9906529751200798
Energy: 0.9786511955610553
Energy: 0.9908084538875316
Energy: 1.050583179386119
Energy: 0.9898131313800086
Energy: 0.9931648647487545
Energy: 0.9781446807491894
Energy: 1.0510855597940088
Energy: 0.9846574538195324
Energy: 0.9889694828579986
Energy: 0.9896598562757314
Energy: 0.990858083875531
Energy: 1.0512383140286878
Energy: 0.9837648697991922
Energy: 0.9888318583461232
Energy: 0.9895839821640946
Energy: 0.990529061976197
Energy: 0.9894624240981748
Energy: 1.0565228669582518
Energy: 0.9918473619950641
Energy: 0.98138725402372
Energy: 0.9789736431215115
Energy: 0.9899593589510464
Energy: 1.0584962235108328
Energy: 0.9915589049482396
Energy: 0.9981350277825197
Energy: 0.9789880628337357
Energy: 0.9899027832455665
Energy: 0.9794711038224952
Energy: 0.9886412175399586
Energy: 0.9804505326772572
Energy: 1.0545675362051459
Energy: 0.9890435566960151
Energy: 0.9888658774684234
Energy: 0.988525946481432
Energy: 0.9815652539589423
Energy: 0.9900643637425403
Energy: 0.9923239141651049
Energy: 0.9918837230181433
Energy: 1.058549019640413
Energy: 1.05098275523155
Energy: 0.9919030661201165
Energy: 0.9952844339400905
Energy: 0.9955261051610647
Energy: 1.0582640546370587
Energy: 0.9900219377763035
Energy: 0.9918486190971504
Energy: 0.9790127941274644
Energy: 0.9892157398905774
Energy: 0.9947337355336772
Energy: 1.051878879904268
Energy: 1.054643803667851
Energy: 0.978893135999829
Energy: 0.9892366134564677
Energy: 0.9833207038099546
Energy: 1.051461292562453
Energy: 1.0552778350308063

minimum gb energy = 0.9781021601663086 eV
minimum distance =  2.58418907186886 Angstroms
sigma value = 15


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

Energy: 0.9604724569469725
Energy: 0.9795600115109913
Energy: 1.0528976230853189
Energy: 1.0600825036885475
Energy: 1.0136309140947442
Energy: 0.9596325734477494
Energy: 0.9463091530349106
Energy: 1.0525382932483696
Energy: 1.0895279248507408
Energy: 0.955179307375388
Energy: 0.9495534504055972
Energy: 1.044456922345122
Energy: 0.9580729552853732
Energy: 0.9571066391163768
Energy: 0.9708640119469754
Energy: 0.9502512536385382
Energy: 1.0435033292996883
Energy: 0.9624011240061806
Energy: 1.0417585433980125
Energy: 1.0313843474159676
Energy: 1.0430915855591751
Energy: 0.9675332425534386
Energy: 0.9488312355098338
Energy: 0.9546410503959082
Energy: 1.001695406885367
Energy: 1.0431804718163575
Energy: 0.96770509613573
Energy: 0.9494550690765939
Energy: 0.9883263289355367
Energy: 0.9517738182449061
Energy: 0.9514478717369564
Energy: 0.9508191536609645
Energy: 1.003006360607412
Energy: 1.0437231689555106
Energy: 0.9514374178664674
Energy: 0.9520064550781028
Energy: 0.9506161249391906
Energy: 1.0035688848795787
Energy: 1.0433329161170781
Energy: 1.0013552316509866
Energy: 0.9493804390210451
Energy: 0.9872782071389097
Energy: 0.9496998112126619
Energy: 0.950022551022745
Energy: 1.0358710966566416
Energy: 0.9937949793460965
Energy: 0.9878639332984943
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Energy: 0.9503794616733865
Energy: 1.036843116141059
Energy: 0.9410444603687039
Energy: 0.9505475617146566
Energy: 0.9518280868017457
Energy: 1.0761015431848024
Energy: 0.9401220121838656
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Energy: 0.9520943318035414
Energy: 1.076676064845322
Energy: 0.9404522599383046
Energy: 0.948602629990415
Energy: 0.9511709603026537
Energy: 0.9491005855784528
Energy: 0.9717936732398228
Energy: 1.0510303653872968
Energy: 0.948830510890367
Energy: 0.9506340856475172
Energy: 0.9498810002047198
Energy: 0.9729430901216277
Energy: 1.061081604447736
Energy: 0.988865409953087
Energy: 0.9533099568861502
Energy: 0.989589942527665
Energy: 0.9506993822763997
Energy: 1.0750731482143914
Energy: 0.988083886974313
Energy: 0.9528384613505195
Energy: 0.9757888369714383
Energy: 0.95051535236003
Energy: 0.9882317301838656
Energy: 0.9557972486041284
Energy: 0.9402047445311894
Energy: 1.0217482573080459
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Energy: 0.9515566993529664
Energy: 0.9565311306385023
Energy: 0.9400435341501298
Energy: 1.0227108700876735
Energy: 0.948589108204141
Energy: 0.95115297677194
Energy: 1.02398663628321
Energy: 0.9616627436068873
Energy: 0.9489571461881182
Energy: 0.9523681231315759
Energy: 0.9488760348845902
Energy: 1.010238119823142
Energy: 0.9609572243339441
Energy: 0.9488587979354465
Energy: 0.9526197099748596
Energy: 0.948618494554031
Energy: 1.0712138325933396
Energy: 0.9813912528226657
Energy: 0.9505807824686967
Energy: 0.9504636289620672
Energy: 0.9494709121585759
Energy: 1.0542111758089643
Energy: 0.9472486900294478
Energy: 0.9497266422297596
Energy: 0.9511730835213805
Energy: 0.9490115471879236
Energy: 0.9504501862765936
Energy: 1.042796556279941
Energy: 0.9913883368895535
Energy: 0.9499984602096165
Energy: 1.0767568779253374
Energy: 0.950788512789985
Energy: 1.0435320391659173
Energy: 0.9520120372448135
Energy: 0.9512624566038154
Energy: 1.0765882110457912
Energy: 1.0511755349473575
Energy: 0.95059298953446
Energy: 0.9586423320546523
Energy: 0.9906563267203409
Energy: 0.9466733643729639
Energy: 1.0503694681721032
Energy: 0.9497294258063621
Energy: 0.9592613295160718
Energy: 0.9899429469451723
Energy: 1.0512910775150937
Energy: 0.9639445620955142
Energy: 1.0415545704578288
Energy: 1.0495468351996133
Energy: 1.0496091389241187
Energy: 0.9494168079888443
Energy: 0.9636207856511046
Energy: 1.042244853701127
Energy: 1.0389616735494989
Energy: 1.048797764213747
Energy: 0.949307495444505
Energy: 1.0029983924934984
Energy: 0.9524493747687712
Energy: 0.9494055799560613
Energy: 1.0474825099106642
Energy: 0.9493730728711673
Energy: 1.0022543097798116
Energy: 0.9518130730416543
Energy: 0.9491615012480258
Energy: 0.976376972544303
Energy: 0.9490776772896411
Energy: 1.0736826300440583
Energy: 1.0432202954488703
Energy: 0.951744799591822
Energy: 0.9521749985558426
Energy: 0.9457479437835183
Energy: 1.0731364901788236
Energy: 0.9496023793133526
Energy: 0.9513941676646722
Energy: 0.9513256928133482
Energy: 0.9449067714959692
Energy: 0.9466578308562116
Energy: 0.9741677509268437
Energy: 1.0455589594829988
Energy: 1.074044569080016
Energy: 0.9476923950707867
Energy: 0.9468758736914139
Energy: 0.9739516331123141
Energy: 0.9809601071558897
Energy: 1.074241216016234
Energy: 0.9504566327432555
Energy: 1.0734676533654766
Energy: 1.1249953777703134
Energy: 0.9429126743462136
Energy: 0.989474389803087
Energy: 0.9490682305956224
Energy: 1.0737008159095311
Energy: 1.1260073657943557
Energy: 0.941414667251256
Energy: 0.9929933101590324
Energy: 0.9494991183630341
Energy: 0.9516405519871309
Energy: 0.95232431548624
Energy: 0.973864435154557
Energy: 0.9511059015767003
Energy: 0.9484418562383292
Energy: 0.9518159076319546
Energy: 0.9522982604410772
Energy: 0.9494017018391939
Energy: 0.9510798055399676
Energy: 0.9484023307299873
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Energy: 1.0218267881030614
Energy: 0.9501268853055405
Energy: 0.9496503901240441
Energy: 0.9490423388996746
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Energy: 0.9490940065693341
Energy: 0.9893566561163787
Energy: 1.0023280917824455
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Energy: 1.0018210634817741
Energy: 0.9891846063958792
Energy: 0.9506027164505072
Energy: 0.9899215802705554
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Energy: 1.0345472145411012
Energy: 0.9488763884708306
Energy: 0.9508162754686913
Energy: 0.9929669346829147
Energy: 0.9403155685649836
Energy: 0.9561763679915978
Energy: 0.9493816173897613
Energy: 0.9499732603437544
Energy: 0.9907020010544789
Energy: 0.9403141465823311
Energy: 0.9555040642594999
Energy: 0.9479513790283455
Energy: 0.952161807940221
Energy: 0.9495181964743997
Energy: 0.9529660582942938
Energy: 0.9518117920997915
Energy: 0.9479939203217491
Energy: 0.9520859185544112
Energy: 1.000508521313139
Energy: 0.9731401235399434
Energy: 0.9517974134857373
Energy: 0.9494348236431597
Energy: 0.9514733115420414
Energy: 0.9487731318759006
Energy: 0.948372562362461
Energy: 1.074344269505373
Energy: 0.9488309290970875
Energy: 0.9496237821691437
Energy: 0.9494945360016958
Energy: 1.0422960468561002
Energy: 1.0744035162922945
Energy: 0.961698276342018
Energy: 1.0736011048923917
Energy: 1.0513602203963421
Energy: 1.0352819580206092
Energy: 0.9396396501829892
Energy: 0.9893431729677444
Energy: 1.0736569733860137
Energy: 1.0512520660190334
Energy: 1.0224393005771024
Energy: 0.954555598662738
Energy: 0.990208803231416
Energy: 1.0442278695451201
Energy: 0.9593249289551432
Energy: 1.0432493383009747
Energy: 1.0736256161228896
Energy: 0.9906701673054487
Energy: 0.9501447488471356
Energy: 0.9603741405798766
Energy: 1.0422890533870626
Energy: 1.1112386835936074
Energy: 0.9487819294372848
Energy: 0.9676425284232775
Energy: 0.9492994741563638
Energy: 0.9520173863973176
Energy: 1.0013603959147328
Energy: 0.9492357820729614
Energy: 1.04767892292096
Energy: 0.9493386533782513
Energy: 0.9529449789988971
Energy: 1.000795002559869
Energy: 0.95026817123241
Energy: 1.048505787785271
Energy: 1.057315020501053
Energy: 1.0438652817343428
Energy: 0.9517989488499192
Energy: 0.9502254460125602
Energy: 1.049572971663388
Energy: 1.0612970372678845
Energy: 1.0432371112971635
Energy: 0.9522926751577032
Energy: 0.9951918546538087
Energy: 1.004557757745351
Energy: 0.9497659608141366
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Energy: 1.0702654987626894
Energy: 0.9846338018826517
Energy: 1.1074126448088035
Energy: 0.9492946932896932
Energy: 0.9498529514627116
Energy: 1.0508369577660013
Energy: 1.0349988843470972
Energy: 0.9505983021186326
Energy: 0.9521382031182098
Energy: 1.0771516928796023
Energy: 0.9407489420302555
Energy: 0.9497117576287198
Energy: 0.9496283297073145
Energy: 0.9913109937570657
Energy: 1.0767124470987754
Energy: 0.9400536173271777
Energy: 0.9489692679768579
Energy: 0.9509406420621664
Energy: 0.9502804125472014
Energy: 0.9467403899911152
Energy: 1.0686349930932864
Energy: 0.9493533703325371
Energy: 0.9501616784479968
Energy: 0.9509779979288714
Energy: 0.9489821670627633
Energy: 1.0749908120567309
Energy: 0.9484405347342026
Energy: 0.9529273425702058
Energy: 0.9489319843545331
Energy: 0.9501647101106088
Energy: 0.9880033034411603
Energy: 0.9485024556850548
Energy: 0.9525920138769886
Energy: 0.9491651723480943
Energy: 0.950196888720028
Energy: 0.9885413903433605
Energy: 0.9908263752539735
Energy: 0.9566412682666254
Energy: 1.0219434941814085
Energy: 0.9698178641801855
Energy: 0.9921113327301817
Energy: 0.956114795149557
Energy: 0.9912962301981714
Energy: 1.0229775433113923
Energy: 0.9502633187171102
Energy: 0.9911028141423327
Energy: 1.0152048232907276
Energy: 0.939868328548151
Energy: 0.9497519420560665
Energy: 0.9525562085149835
Energy: 0.9486736777785002
Energy: 1.052067276328997
Energy: 0.9397917343788644
Energy: 0.9491063177627848
Energy: 0.9526375819113266
Energy: 0.9886177431025539
Energy: 1.058840716829879
Energy: 0.9727413988477382
Energy: 0.9502332198663825
Energy: 0.9501226967777263
Energy: 0.9491200132761866
Energy: 1.0516760678197536
Energy: 0.9719255506950071
Energy: 0.9492626063860538
Energy: 0.9507452701743593
Energy: 0.9488295769720803
Energy: 0.9511479205332479
Energy: 1.0777028380437406
Energy: 0.9521425075662266
Energy: 0.9497492657433663
Energy: 0.9493709688016664
Energy: 0.9515413510528472
Energy: 1.080707404897991
Energy: 0.9518109356617959
Energy: 0.9506546025449203
Energy: 0.9497610497527902
Energy: 1.050427344864204
Energy: 0.9497899894614591
Energy: 0.9573347778345002
Energy: 0.9898548148477291
Energy: 0.983518580459135
Energy: 1.0703954659282628
Energy: 0.9499845180354648
Energy: 0.9582907951908712
Energy: 1.007822241256602
Energy: 0.9853006555258766
Energy: 0.9614021987628354
Energy: 1.0431037323484138
Energy: 1.0129275824225645
Energy: 0.9628270420916931
Energy: 0.9509087627100927
Energy: 0.9606663110085972
Energy: 1.0438474733316583
Energy: 0.95955423890497
Energy: 0.9619346119105432
Energy: 0.9507232818945489
Energy: 1.001040082648414
Energy: 0.954167194855737
Energy: 0.9492376432221561
Energy: 1.0472249633333457
Energy: 1.0448608456006676
Energy: 1.0034520080425604
Energy: 0.9538057139633714
Energy: 0.9491287891380901
Energy: 0.9673222637443694
Energy: 1.0460693121913507
Energy: 1.1068312677736083
Energy: 1.0426604316540917
Energy: 0.9515730907477495
Energy: 1.0434852514265531
Energy: 0.9719448983631503
Energy: 1.1073559990262842
Energy: 1.0429666859807867
Energy: 0.9508277028492399
Energy: 1.0443597458126828
Energy: 0.9692726991048396
Energy: 0.9471445386967274
Energy: 1.05939080523481
Energy: 1.0515576606723185
Energy: 0.9796900268369676
Energy: 0.949574326825647
Energy: 0.947431005450988
Energy: 1.0589581035394284
Energy: 1.0518922826940615
Energy: 0.9794536969765241
Energy: 0.9505796478079519
Energy: 1.0745375994585005
Energy: 1.1257022059765824
Energy: 1.1281208076987554
Energy: 0.9854470206583898
Energy: 0.9490272820517209
Energy: 1.0453192913174698
Energy: 1.1266870626175434
Energy: 1.1267480404719667
Energy: 0.9511421897289818
Energy: 0.9497356900137731
Energy: 0.9520474893732587
Energy: 0.9734588465105988
Energy: 0.973535862014911
Energy: 0.9520379575788103
Energy: 0.9480155069247955
Energy: 0.9519456709205263
Energy: 0.9525157125256349
Energy: 0.949319909593484
Energy: 0.9520631085649982
Energy: 0.9480187065731405
Energy: 0.9505392559212466
Energy: 0.9500449097719407
Energy: 0.9934992110962073
Energy: 0.9502832297923942
Energy: 0.9492613394668173
Energy: 0.9910776915406162
Energy: 0.969226493325046
Energy: 0.9925513332382311
Energy: 0.9510810806910934
Energy: 0.9488366294728875
Energy: 0.9883192627791713
Energy: 0.9502108242371589
Energy: 0.9491249552402001
Energy: 0.9603909846304649
Energy: 1.0331666356556422
Energy: 0.9882046271338837
Energy: 0.9501213043942711
Energy: 0.9776670394907735
Energy: 0.9614541481503186
Energy: 1.0323785049586867
Energy: 0.9490815953087237
Energy: 0.9506316615317115
Energy: 0.9904742353892491
Energy: 0.9396001477434183
Energy: 0.956033337301967
Energy: 0.9495309384962666
Energy: 0.9499052263280191
Energy: 1.021890265304217
Energy: 0.9396400660677495
Energy: 0.955653843614312
Energy: 0.9478881637385457
Energy: 0.9509951106945799
Energy: 0.949213597333814
Energy: 0.952483093254236
Energy: 0.9517732255260262
Energy: 0.9479520395772331
Energy: 0.950732759214344
Energy: 0.974231128635188
Energy: 0.9522382719576069
Energy: 0.9515934117700146
Energy: 0.9492986870748574
Energy: 0.9531624557260795
Energy: 0.9501807250513624
Energy: 1.0813658210433648
Energy: 1.0738635711895357
Energy: 0.9489277329628059
Energy: 0.990675224778866
Energy: 0.9510329009320881
Energy: 1.0776520514823724
Energy: 1.0733476412270462
Energy: 0.9600156847310416
Energy: 1.0738621007341578
Energy: 0.9754468900614721
Energy: 0.97392536364224
Energy: 0.9398257827718686
Energy: 0.9564997748652038
Energy: 1.0737557566718952
Energy: 0.9996508411047035
Energy: 0.9739165528174699
Energy: 0.9397596971087069

minimum gb energy = 0.9396001477434183 eV
minimum distance =  2.53947909737458 Angstroms
sigma value = 437


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

Energy: 0.9572817508989847
Energy: 0.9065270573915787
Energy: 0.8819732382974594
Energy: 0.9525179661135332
Energy: 0.8450065632481398
Energy: 0.9421719112599237
Energy: 0.9061937265544291
Energy: 0.8825717560393468
Energy: 0.9399637630066863
Energy: 0.9454463120413773
Energy: 0.845387098098948
Energy: 0.9952012383289313
Energy: 0.8452050898947626
Energy: 1.046227024627814
Energy: 0.8478370009976698
Energy: 0.8454410931063431
Energy: 0.9948913603098036
Energy: 0.84532167647427
Energy: 0.9939689256737974
Energy: 0.8482510582816513
Energy: 0.9468772962483745
Energy: 0.8472272194483096
Energy: 0.8963385766386172
Energy: 0.8797180217362358
Energy: 0.8470466773295511
Energy: 0.9470798183541772
Energy: 0.84714363277034
Energy: 0.8966492911112361
Energy: 0.8793579552848043
Energy: 0.845432511097032
Energy: 0.8798046081619838
Energy: 0.8843613987676655
Energy: 0.9842329702661218
Energy: 0.9471531443464944
Energy: 0.8448341304355215
Energy: 0.8802569517909248
Energy: 0.8786402797000518
Energy: 0.9837976070902239
Energy: 0.9462177282720592
Energy: 0.894541341260132
Energy: 0.9321587299241819
Energy: 0.9069477558778256
Energy: 0.8579543028033372
Energy: 0.8596247808590134
Energy: 0.944392146976874
Energy: 0.9320897698433073
Energy: 0.9071501100699524
Energy: 0.8569121341853689
Energy: 0.8582941839625714
Energy: 0.9434348094928778
Energy: 0.8452702878304064
Energy: 0.8845097340584405
Energy: 0.8961684014986165
Energy: 0.8590604935697183
Energy: 0.9417651101525933
Energy: 0.9046599360941537
Energy: 0.8489928750377748
Energy: 0.9389370547788254
Energy: 0.8594658134528276
Energy: 0.9419059583844374
Energy: 0.9496706759338229
Energy: 0.9457615553064257
Energy: 0.9487427959253432
Energy: 0.883406684849329
Energy: 0.8945533865822131
Energy: 0.9489160853984975
Energy: 0.946474663452657
Energy: 0.9476358638180793
Energy: 0.8818227543664943
Energy: 0.8949519014290968
Energy: 0.9558503245916486
Energy: 0.8453694243732925
Energy: 0.85054260743485
Energy: 0.880107403184148
Energy: 0.9967968454500444
Energy: 0.9597277394345282
Energy: 0.8451686298880258
Energy: 0.8496881489622978
Energy: 0.8801997315274986
Energy: 0.995951704356324
Energy: 0.8797205583123425
Energy: 0.9831313116406261
Energy: 0.9062605914119367
Energy: 0.8460848293889146
Energy: 0.8795629642842182
Energy: 0.8791857622398289
Energy: 0.9842437888711173
Energy: 0.9063725801070984
Energy: 1.0044497138679975
Energy: 0.8776671235264318
Energy: 0.9077845706635779
Energy: 0.8554219710039557
Energy: 0.8460881595635917
Energy: 1.048347429725606
Energy: 0.9080107600969058
Energy: 0.8570537873964886
Energy: 0.856533483526157
Energy: 0.8460914677819317
Energy: 1.0456900297112142
Energy: 0.9074149259282468
Energy: 0.8449478944770099
Energy: 0.845708439298487
Energy: 0.9066595289141782
Energy: 0.9425525664069865
Energy: 0.8450622364565589
Energy: 0.8452035054258789
Energy: 0.8459429308164776
Energy: 0.9070566757560214
Energy: 0.9430270653614485
Energy: 0.8834377254557553
Energy: 0.8459408046365976
Energy: 0.8461803680185535
Energy: 0.8447713553803171
Energy: 1.00202313332344
Energy: 0.8458784365394186
Energy: 0.8458586362829479
Energy: 0.8464176188080937
Energy: 0.8448042427202291
Energy: 0.9079628908029581
Energy: 0.8457539931673353
Energy: 0.845252520257907
Energy: 0.8501475304457599
Energy: 0.8795091774268645
Energy: 0.9961041153625977
Energy: 0.906202966840769
Energy: 0.8450880868023226
Energy: 0.8497031617125492
Energy: 0.8948950752870231
Energy: 0.9945045820991149
Energy: 0.8466655424773355
Energy: 0.8445322840008707
Energy: 0.907473906961604
Energy: 1.059698102149209
Energy: 0.8454134907929265
Energy: 0.8460331065653377
Energy: 1.012336516908476
Energy: 0.9070867926199611
Energy: 0.9555275536289848
Energy: 0.8455454512011628
Energy: 0.9013694468021686

minimum gb energy = 0.8445322840008707 eV
minimum distance =  2.59112067967495 Angstroms
sigma value = 33