Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.653344042599202
cohesive_energy=3.2744465747796214
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.5096861812724478e-19, 2.11802944484898e-19, 2.5767967022285396e-19, 2.95108118569728e-19, 3.2700104664613194e-19, 3.5425727554374e-19, 3.7781568077007597e-19, 3.9831232644883795e-19, 4.1672133597349793e-19, 4.3338717732036597e-19, 4.48095158820486e-19, 4.61056767789546e-19, 4.72445039304018e-19, 4.8239936273106e-19, 4.910431056714899e-19, 4.98512453139198e-19, 5.05018892449872e-19, 5.104839169484459e-19, 5.1497161370028e-19, 5.185412632408319e-19, 5.21242533045756e-19, 5.231218862374379e-19, 5.2422418376163e-19, 5.24583071327646e-19, 5.24195344582218e-19, 5.234391172109699e-19, 5.221493650205999e-19, 5.197509065995019e-19, 5.160322546319879e-19, 5.1073385650335e-19, 5.0354969647649395e-19, 4.941000586891619e-19, 4.819203119174939e-19, 4.6658427717684595e-19, 4.47276446560512e-19, 4.2309479462355e-19, 3.929145933688919e-19, 3.5530830341564396e-19, 3.09651075876546e-19, 2.5270010524438196e-19, 1.8124302736798198e-19, 9.164882934171178e-20, -2.1488072579881195e-20, -1.6644372179972398e-19, -3.52738412094708e-19, -5.970959836058519e-19, -9.21629678235624e-19, -1.3593571520574957e-18, -1.96825797310266e-18, -2.84253371874378e-18, -4.14992587385412e-18, -6.2097963068889e-18, -9.70465624216578e-18, -1.6327942294757398e-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: 0.013988766290882656
Energy: 0.14099696934064515
Energy: 0.139296611999611
Energy: 0.13860469411197665
Energy: 0.018603411391180255
Energy: 0.015558076874098563
Energy: 0.14135923167602227
Energy: 0.1400979776102128
Energy: 0.1383149977831059
Energy: 0.017342709824583958
Energy: 0.14215114300891787
Energy: 0.14833546416854212
Energy: 0.14053954174512917
Energy: 0.14504604939221624
Energy: 0.14976597653936416
Energy: 0.1423357790053122
Energy: 0.1490970646863422
Energy: 0.14081437571910954
Energy: 0.14545154972006502
Energy: 0.14881955990574267
Energy: 0.14639187358649342
Energy: 0.014607478458035868
Energy: 0.014327924411575925
Energy: 0.14498441052869757
Energy: 0.13842535486726718
Energy: 0.14627870229343698
Energy: 0.01746813745771295
Energy: 0.014386868793529788
Energy: 0.14395701684915085
Energy: 0.13932410968519118
Energy: 0.14259181196360515
Energy: 0.016102102593959205
Energy: 0.015099383850532345
Energy: 0.14596938620479613
Energy: 0.13860074681720277
Energy: 0.14384277836832024
Energy: 0.016815536172280137
Energy: 0.014949746489371626
Energy: 0.14664463490579663
Energy: 0.13864694392900506
Energy: 0.1419089183815039
Energy: 0.13833091303161174
Energy: 0.15195937369140036
Energy: 0.016121758891166113
Energy: 0.014865149392492458
Energy: 0.14192668504603134
Energy: 0.14120299964375554
Energy: 0.14446830093962085
Energy: 0.017391009158633862
Energy: 0.14767408243763497
Energy: 0.14866383282606735
Energy: 0.13824572090970574
Energy: 0.14735505209355038
Energy: 0.015248448762385309
Energy: 0.014769723513762389
Energy: 0.14958752259323196
Energy: 0.13789127564545522
Energy: 0.1481396962628116
Energy: 0.015946587979367637
Energy: 0.014728587275290257
Energy: 0.014887985183700408
Energy: 0.14563169304832177
Energy: 0.1428817484771558
Energy: 0.14270129084956276
Energy: 0.1473223318728131
Energy: 0.014846659688257473
Energy: 0.14740723064849395
Energy: 0.14216670496335362
Energy: 0.1451426672818068
Energy: 0.14537296822141482

minimum gb energy = 0.013988766290882656 eV
minimum distance =  2.53552308780536 Angstroms
sigma value = 3


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

Energy: 1.0171847696151772
Energy: 1.0992028134334215
Energy: 1.270901145303251
Energy: 1.0969018503211359
Energy: 1.095081657765313
Energy: 1.089585130233685
Energy: 1.0991613418750328
Energy: 1.2768934120590552
Energy: 1.270996122141448
Energy: 1.0020017526198224
Energy: 0.837712157733166
Energy: 1.2841782233183847
Energy: 1.19616936276783
Energy: 1.1898612607024883
Energy: 0.8397841725123848
Energy: 0.8386911226439321
Energy: 1.0984737558374238
Energy: 1.277061543626741
Energy: 1.163192275841961
Energy: 0.8405394643929446
Energy: 0.9043334084178206
Energy: 1.2298588845686176
Energy: 1.0814293256484486
Energy: 0.9926110940479823
Energy: 0.8387197504306957
Energy: 0.8365062224181011
Energy: 1.0129665175851703
Energy: 0.8738071172316777
Energy: 0.8370957214677451
Energy: 1.1214250325995387
Energy: 0.8371289410349432
Energy: 1.274394037412554
Energy: 0.8751942462426586
Energy: 0.8373567913532651
Energy: 0.8386903352050459
Energy: 0.8366678582730196
Energy: 1.2669600733991209
Energy: 0.8756816239050383
Energy: 0.9420579804864098
Energy: 1.1212111221776924
Energy: 1.0343798340155181
Energy: 1.00552319919662
Energy: 1.1182089036533316
Energy: 0.9772264213131194
Energy: 0.9855426720434285
Energy: 1.0325648936290377
Energy: 1.2121532940353825
Energy: 1.0977134057099494
Energy: 0.838675848894433
Energy: 0.8988849266241336
Energy: 1.0056837239046668
Energy: 1.1062886532443783
Energy: 1.0318652904829897
Energy: 0.8369145543402182
Energy: 1.0326885336460663
Energy: 1.210553555271629
Energy: 1.006848313005736
Energy: 1.032188338179208
Energy: 0.8366769567350284
Energy: 0.9919506130012816
Energy: 1.289870983485159
Energy: 1.3084516450942458
Energy: 1.0334517769001401
Energy: 0.8404539411039545
Energy: 1.1902020163675553
Energy: 1.273851114562861
Energy: 1.2583583430555587
Energy: 0.8997356170412655
Energy: 0.8398248037858814
Energy: 1.1896378261788207
Energy: 1.2908779089518998
Energy: 1.190752971692747
Energy: 1.1980668131595036
Energy: 1.1595434674918068
Energy: 1.1900298064904729
Energy: 1.2819786902864565
Energy: 1.0992192545149537
Energy: 1.1601198181672814
Energy: 1.1589022280004095
Energy: 1.18980696222309
Energy: 1.5174307911750822
Energy: 1.0719810496445987
Energy: 0.8406255716979273
Energy: 1.0346671703185333
Energy: 1.189816767120427
Energy: 1.275248567956566
Energy: 1.0689993446364359
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Energy: 1.1158939170749596
Energy: 1.0982110954082254
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Energy: 0.9030972890935409
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Energy: 0.9926918476770187
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Energy: 0.9942042162286441
Energy: 1.082743278451361
Energy: 0.8951488178829009
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Energy: 1.1182450887086706
Energy: 1.0994205937486554
Energy: 1.0177674470222406
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Energy: 0.9920376407717528
Energy: 0.8460138559783177
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Energy: 1.2590020428928634
Energy: 0.9939707854377126
Energy: 1.2248286363146852
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Energy: 0.9949312027451147
Energy: 0.8388062255893483
Energy: 1.0318781391957914
Energy: 1.0018118992431342
Energy: 1.005877526306024
Energy: 0.838122076980452
Energy: 1.121411574051568
Energy: 1.271418172192959
Energy: 1.1918596783504154
Energy: 1.0977351450446537
Energy: 0.8385360958853624
Energy: 0.8395795438119547
Energy: 1.2718103720334455
Energy: 1.0996880458545344
Energy: 1.0981380667830276
Energy: 1.214785565679746
Energy: 1.0990764618976356
Energy: 1.2711827805031104
Energy: 1.097459835156843
Energy: 1.0948753775140943
Energy: 1.0897225988160648
Energy: 1.0990515839413275
Energy: 1.2755603729277527
Energy: 1.2710477767389732
Energy: 1.0018500774107226
Energy: 1.1281059668371378
Energy: 1.2859674579629383
Energy: 1.2810802119379794
Energy: 1.1901538907018132
Energy: 0.8385077545993801
Energy: 0.8389909449000168
Energy: 1.0986459110298203
Energy: 1.274981684823511
Energy: 1.274348962512575
Energy: 0.8404286161550685
Energy: 0.9044043430260063
Energy: 1.0138055013786071
Energy: 1.082473135819413
Energy: 0.9918546905142992
Energy: 0.8386342930002331
Energy: 0.8365259947878521
Energy: 0.8739558335252711
Energy: 1.0796413284893207
Energy: 0.8368482263494541
Energy: 0.8381420039548205
Energy: 0.8370916697963579
Energy: 0.8753412584246514
Energy: 0.8743725062664547
Energy: 0.8377113354979081
Energy: 1.1286373474620173
Energy: 0.8369787517981774
Energy: 0.8759898114898498
Energy: 0.8753012330164894
Energy: 0.9417199244746267
Energy: 1.1291893488129792
Energy: 1.0968798940558588
Energy: 1.274046498219884
Energy: 1.2802878162061857
Energy: 0.8389942669196689
Energy: 0.8389843776622848
Energy: 1.0315326653843484
Energy: 1.2738345190337277
Energy: 1.2859718920293566
Energy: 0.8396697517677767
Energy: 0.8981561275681863
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Energy: 1.2188412640552428
Energy: 0.9966505430776879
Energy: 0.8385585488690779
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Energy: 1.2183875520277523
Energy: 1.0319003871116346
Energy: 1.2616437605628799
Energy: 0.9920895839346502
Energy: 1.2783810875358776
Energy: 1.0967115576382382
Energy: 1.0336975746346841
Energy: 0.8402058228478945
Energy: 1.1902050853423958
Energy: 1.2752246999159493
Energy: 1.2576879605931164
Energy: 0.8999606485935352
Energy: 0.8396888318704041
Energy: 1.1897689644137721
Energy: 1.2933726387626585
Energy: 1.0983109630054488
Energy: 1.1633124449497243
Energy: 1.1592091591297495
Energy: 1.1908086477013493
Energy: 1.283938981212518
Energy: 1.0974109345972183
Energy: 1.0604443949466902
Energy: 1.1584832341364988
Energy: 1.1900448146102567
Energy: 1.2846886062263063
Energy: 1.1910417596201115
Energy: 0.9808696670882311
Energy: 1.0383196946713407
Energy: 1.09875419751733
Energy: 1.2759049953501138
Energy: 1.0696818217040205
Energy: 0.9817017420696798
Energy: 0.9949588647535821
Energy: 1.0980211605240913
Energy: 1.1782470492912744
Energy: 0.8373344798025499
Energy: 0.8395266891243628
Energy: 0.9061467888760936
Energy: 1.0822296061290604
Energy: 0.9964855042255285
Energy: 0.8416889268488055
Energy: 1.1045618325258313
Energy: 0.8991572820663152
Energy: 1.082056207905384
Energy: 0.8950093137322257
Energy: 0.8419870025369282
Energy: 0.8401926308933232
Energy: 0.9949143575973102
Energy: 1.0823091490364634
Energy: 0.8965796406451612
Energy: 0.8408719927396742
Energy: 0.9045141578923523
Energy: 0.9909400161353509
Energy: 1.0822747071663439
Energy: 1.2718302578387806
Energy: 1.1294689950020054
Energy: 0.842055120745172
Energy: 1.0533961844538005
Energy: 1.2668404252876517
Energy: 0.8368131785391165
Energy: 0.8463123206254388
Energy: 0.973489835889418
Energy: 1.2843597335896328
Energy: 1.2732328161346587
Energy: 1.031785468915007
Energy: 1.2676753233245968
Energy: 1.0313253483025238
Energy: 1.2234320052539713
Energy: 1.005569806376973
Energy: 0.9921318270536602
Energy: 0.8390310589073066
Energy: 0.9944951988018871
Energy: 1.2190661915739995
Energy: 1.0059619849568482
Energy: 0.8382182973880443
Energy: 1.119215120030351
Energy: 1.27038248160724
Energy: 1.1921510015030927
Energy: 1.0971419496890815
Energy: 0.8474623992818815
Energy: 0.8390448106870643
Energy: 1.273879639396565
Energy: 1.016638074902134
Energy: 0.9795520288814956
Energy: 1.2139478516900484
Energy: 1.1910787404016019
Energy: 1.2710115886781772
Energy: 1.0976497546335706
Energy: 1.095533253993706
Energy: 1.0896917449282861
Energy: 1.0990041812898876
Energy: 1.2742694398136951
Energy: 1.275117916589973
Energy: 1.0066935229042784

minimum gb energy = 0.8364921059879921 eV
minimum distance =  2.39009620534468 Angstroms
sigma value = 75


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

Energy: 3.0534190577700815
Energy: 1.2921719487008876
Energy: 1.2927936164674867
Energy: 1.2920639057353105
Energy: 1.2916737621579188
Energy: 1.2712405842756427
Energy: 1.2995599264967164
Energy: 1.1373093195282056
Energy: 1.2920647810405117
Energy: 1.3146212375281707
Energy: 1.2680702093545562
Energy: 1.369737354790467
Energy: 1.1652524446838288
Energy: 1.1348331369415448
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Energy: 1.1501230510377778
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Energy: 1.1587472617266659
Energy: 1.2135893490494163
Energy: 1.2257580640629475
Energy: 1.1722331710628988
Energy: 1.4451844985466746
Energy: 1.3546426146763788
Energy: 1.212774762614995
Energy: 1.181842753377153
Energy: 1.1496159786855327
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Energy: 1.361673955086549
Energy: 1.2088613056163864
Energy: 1.149500628967025
Energy: 1.2360435527228812
Energy: 1.2182595410304957
Energy: 1.2566783154655907
Energy: 1.149616151840926
Energy: 1.1750127163892414
Energy: 1.1973062096841594
Energy: 1.2018501544840186
Energy: 1.112823150743963
Energy: 1.1954487282565334
Energy: 1.2436233539722585
Energy: 1.3211668203416902
Energy: 1.139915557292285
Energy: 1.3754517672908784
Energy: 1.3864832233065278
Energy: 1.2984067021527512
Energy: 1.3810469202833615
Energy: 1.172087143731564
Energy: 1.288885283156045
Energy: 1.3502781726796955
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Energy: 1.364592140877076
Energy: 1.3727315994046017
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Energy: 1.1823261598964905
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Energy: 1.3868979110314854
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Energy: 1.1771323677921552
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Energy: 1.3608969314671067
Energy: 1.217385497870692
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Energy: 1.2111624105626588
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Energy: 1.3319512614204807
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Energy: 1.1937563020670818
Energy: 1.2328008829678667
Energy: 1.3264882192315384
Energy: 1.1966092429258284
Energy: 1.4098235561233592
Energy: 1.255029556291359
Energy: 1.2207474795697764
Energy: 1.2759046948819235
Energy: 1.2578322075277695
Energy: 1.3600107739388032
Energy: 1.393414582500239
Energy: 1.3622081286540915
Energy: 1.3880374353302367
Energy: 1.3382944795422083
Energy: 1.3661689624275823
Energy: 1.3881144752813532
Energy: 1.414472798148479
Energy: 1.3567612902402173
Energy: 1.3423156137283765
Energy: 1.350799775830176
Energy: 1.4361558621933272
Energy: 1.4051566125008181
Energy: 1.1588512047205874
Energy: 1.3564808400157309
Energy: 1.1681371949490371
Energy: 1.3691951432248521
Energy: 1.3704936393643012
Energy: 1.1959525546269623
Energy: 1.309603525449179
Energy: 1.1792206296862848
Energy: 1.2055923026043707
Energy: 1.2817109324237268
Energy: 1.2982095857704505
Energy: 1.3174287543314975
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Energy: 1.3070078598705297
Energy: 1.2694114649199502
Energy: 1.189179166564055
Energy: 1.2462251488916758
Energy: 1.1232026113635214
Energy: 1.2665497545367161
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Energy: 1.224350771493068
Energy: 1.1788630200441659
Energy: 1.2734402714639652
Energy: 1.3112385043512829
Energy: 1.3089974926528105
Energy: 1.2988281693028583
Energy: 1.2581225541683458
Energy: 1.3914159648548692
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Energy: 1.2505961807606876
Energy: 1.4003502341945742
Energy: 1.2575424711329783
Energy: 1.3735936310296402
Energy: 1.290900730213325
Energy: 1.1978965544519702
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minimum gb energy = 1.112823150743963 eV
minimum distance =  2.26979350727461 Angstroms
sigma value = 105


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

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Energy: 1.2321880558639184
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Energy: 1.2404970147936136
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Energy: 1.2867598652339494
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Energy: 1.1777443622577917
Energy: 1.2491634456551093
Energy: 1.2173987534212527
Energy: 1.2250022748439489
Energy: 1.25682643913177
Energy: 1.1327911541701885
Energy: 1.2526234272467325
Energy: 1.2404936505709956
Energy: 1.2567634667572478
Energy: 1.2768946463291695
Energy: 1.276301771361705
Energy: 1.2023845162981943
Energy: 1.2730082186071785
Energy: 1.2039249262728782
Energy: 1.1951302498769087
Energy: 1.1945148281530553
Energy: 1.1951446308769464
Energy: 1.1550868481714724
Energy: 1.241678868343777
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Energy: 1.2693024874650194
Energy: 1.216938745822479
Energy: 1.1563209282119618
Energy: 1.202591475101533
Energy: 1.1952635218433532
Energy: 1.256346453083035
Energy: 1.2561754643159744
Energy: 1.2201359658281645
Energy: 1.2357142387627698
Energy: 1.200607721805117
Energy: 1.2299483664355522
Energy: 1.2424528766942866
Energy: 1.178829129607668
Energy: 1.2916819674322888
Energy: 1.194976677237444
Energy: 1.2878338039406465
Energy: 1.2870778446703002
Energy: 1.17932470310049
Energy: 1.290509801781542
Energy: 1.2962424129683137
Energy: 1.2424833567913938
Energy: 1.2410952335674899
Energy: 1.2704638500722885
Energy: 1.3438395973393735
Energy: 1.3682516011642136
Energy: 1.2422522070077404
Energy: 1.2394673716898925
Energy: 1.2895206069085872
Energy: 1.2681288814546712
Energy: 1.2556526906174146
Energy: 1.1220752170422712
Energy: 1.1220188314025703
Energy: 1.2426849847354668
Energy: 1.173946672462099
Energy: 1.207769154964588
Energy: 1.1232797218784412
Energy: 1.1222224895743158
Energy: 1.2612451227339152
Energy: 1.154882735677159
Energy: 1.1214315419090983
Energy: 1.121866914096294
Energy: 1.1216712345097897
Energy: 1.1052434890204021
Energy: 1.0994245652749781
Energy: 1.1214646143169946
Energy: 1.1216287335963895
Energy: 1.120857887681339
Energy: 1.2369422357669595

minimum gb energy = 1.0994245652749781 eV
minimum distance =  2.24187647967907 Angstroms
sigma value = 165


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

Energy: 1.8771487715244533
Energy: 1.1828008494087192
Energy: 1.181090351224228
Energy: 1.1810036649775126
Energy: 1.1768326973896532
Energy: 1.2626008434112415
Energy: 1.182232237861693
Energy: 1.1809933292951433
Energy: 1.1806746995273016
Energy: 1.1770099825497122
Energy: 1.1810169600910836
Energy: 1.1801484036269347
Energy: 1.172608406261029
Energy: 1.263967134685185
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Energy: 1.1811912522312698
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Energy: 1.1823878395368674
Energy: 1.1920077339037907
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Energy: 1.2304084881510624
Energy: 1.189654533014304
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Energy: 1.1771791880021827
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Energy: 1.1929115295594428
Energy: 1.1799011598908036
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Energy: 1.1808428211635822
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Energy: 1.1920965064096969
Energy: 1.1813559793680275
Energy: 1.2836884323007662
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Energy: 1.2847369314997767
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Energy: 1.1923050019460808
Energy: 1.1889886906176446
Energy: 1.2859355886847434
Energy: 1.1666925495883955
Energy: 1.1899811869770218
Energy: 1.1812437763292658
Energy: 1.1923737719333216
Energy: 1.1899246368837542
Energy: 1.1626886116568032
Energy: 1.1894377707083073
Energy: 1.1818797055414594
Energy: 1.1904174483524645
Energy: 1.1908758457971176
Energy: 1.279116880435421
Energy: 1.275131887782016
Energy: 1.2677786269163123
Energy: 1.1808232082574894
Energy: 1.1842245944989807
Energy: 1.179569534497652
Energy: 1.2743442935468372
Energy: 1.230750525696725
Energy: 1.1801613686923604
Energy: 1.1817419246046117
Energy: 1.1788757273251684
Energy: 1.2388525213784447
Energy: 1.2287581799068332
Energy: 1.1810426753073042
Energy: 1.1706250479663851
Energy: 1.2407371856030307
Energy: 1.2496845953226783
Energy: 1.2290419439326934
Energy: 1.1806364442196675
Energy: 1.1692913891187238
Energy: 1.2413370132284076
Energy: 1.171746930601197
Energy: 1.2675834194114197
Energy: 1.2334540365352265
Energy: 1.1832498320521863
Energy: 1.1806117696592433
Energy: 1.2255123777477674
Energy: 1.196409993018783
Energy: 1.180296189772385
Energy: 1.1844255122545806
Energy: 1.181412025538428

minimum gb energy = 1.1622839207568865 eV
minimum distance =  2.31998968728237 Angstroms
sigma value = 41


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

Energy: 1.1091872208385374
Energy: 0.9935398635779612
Energy: 1.0059539388723913
Energy: 0.9942579309197215
Energy: 0.9657237036898719
Energy: 1.1107208128169255
Energy: 0.9933223239982243
Energy: 1.0086015258763956
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Energy: 1.092643326689818
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Energy: 1.08673207804444
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Energy: 1.0096374971923079
Energy: 1.1745451262138324
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Energy: 1.1368983194030815
Energy: 1.096204667135191
Energy: 1.0721112057723228
Energy: 1.074979916595918
Energy: 1.0667768091516883
Energy: 1.1035931135183947
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Energy: 1.085320528610984
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Energy: 1.067172267768703
Energy: 1.0993397873422073
Energy: 1.0634125531404512
Energy: 1.020859327611757
Energy: 1.0734396245550664
Energy: 1.067540955881357
Energy: 1.032583691623073
Energy: 1.0848541567199863
Energy: 1.1544180783889808
Energy: 1.0680349771012343
Energy: 1.068222275645368
Energy: 1.0299469642712809
Energy: 1.0850729164907817
Energy: 1.174841015212421
Energy: 1.0679235129004736
Energy: 1.044746979190404
Energy: 1.0317721614554949
Energy: 1.151737837622946
Energy: 1.1489348234151657
Energy: 1.0315718603891808
Energy: 1.0680691196309542
Energy: 1.031745385451951
Energy: 1.133958520205458
Energy: 1.0592295487035626
Energy: 1.038723321256543
Energy: 1.0496218087970666
Energy: 1.0720667071535421
Energy: 1.171706394508932
Energy: 1.0310242482071403
Energy: 1.0356344757559648
Energy: 1.0472781579238983
Energy: 1.0712775677228363
Energy: 1.1528358721816139
Energy: 1.0295628647866193
Energy: 1.0318218204408673
Energy: 1.0310667325817735
Energy: 1.065759637663136
Energy: 1.1555688802570945
Energy: 1.0284259171592338
Energy: 1.0341267198204789
Energy: 1.0280273956865233
Energy: 1.150111267393366
Energy: 1.1516599166682735
Energy: 1.028152250682324
Energy: 1.0303207758582171
Energy: 1.0358512253351653
Energy: 1.1368802376886669
Energy: 0.9674742036301436
Energy: 1.0346894849604982
Energy: 1.099018033249375
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Energy: 1.1371674030554708
Energy: 1.1371946351903
Energy: 1.0306432577379765
Energy: 1.0294406303828219
Energy: 1.108429468927383
Energy: 1.1596410606472112
Energy: 1.1602322160144076
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Energy: 1.097940831281394
Energy: 1.1167813635786346
Energy: 1.1789151331694994
Energy: 1.1423541190944368
Energy: 1.0455750547292413
Energy: 1.109246307880466
Energy: 1.1362399292147363
Energy: 1.1442739507578439
Energy: 1.1198797227892727
Energy: 1.1185798611771136
Energy: 1.1444111328995292
Energy: 1.1415520316809942
Energy: 1.1445792665805332
Energy: 1.1148630372676787
Energy: 1.0317645926495393
Energy: 1.1443524680601813
Energy: 1.1184903552517709
Energy: 0.9946239013039507
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Energy: 1.1373422266341648
Energy: 1.1234072587577586
Energy: 1.1337016947397027
Energy: 1.1517573730689106
Energy: 1.1186842273772584
Energy: 1.1444655896994445
Energy: 1.1251720959163136
Energy: 1.170690876936453
Energy: 1.148196337216827
Energy: 1.1094805089371822
Energy: 1.1464201753766114
Energy: 1.162620811184189
Energy: 1.0606102919205458
Energy: 1.167414241089602
Energy: 1.0060722236940458
Energy: 1.1487097089435963
Energy: 1.1650395786636778
Energy: 1.1734788728568635
Energy: 1.1433330604909688
Energy: 1.1475441699959066
Energy: 1.1328069022773104
Energy: 1.1588358200344824
Energy: 0.9993120019946506
Energy: 1.1565591999193072
Energy: 1.0679633624174794
Energy: 1.140896754771223
Energy: 1.1593757948883556
Energy: 1.062410635597617
Energy: 1.1602854520541794
Energy: 1.1557482844515867
Energy: 1.1747340333909506
Energy: 1.0149385572213734
Energy: 1.0610670253574392
Energy: 1.1428927750346205
Energy: 1.105795171191728
Energy: 1.1470534581625405
Energy: 1.0630527834865815
Energy: 1.0795612578056695
Energy: 1.1497188730032486
Energy: 1.1472355398404779
Energy: 1.017170966173757
Energy: 1.0057420944398026
Energy: 1.076477927686742
Energy: 1.1500378284334485
Energy: 1.1472702608984733
Energy: 1.0874167309373095
Energy: 1.0341600001202407
Energy: 1.0159867727309826
Energy: 1.0152276312734183
Energy: 1.1566440200874806
Energy: 1.0728711767989068
Energy: 0.9915229080284664
Energy: 1.0602003986578827
Energy: 1.0713586150577934
Energy: 1.1388141092211734
Energy: 1.0728126721133244
Energy: 1.012354364743613
Energy: 1.0959272267601967
Energy: 1.1312100390785969
Energy: 1.0275794014490522
Energy: 1.022658935566833
Energy: 0.9979238338071169
Energy: 1.0158699203178243
Energy: 1.1443837721247367
Energy: 1.0324010910017616
Energy: 1.0736006755971432
Energy: 1.0332118556615493
Energy: 1.0591129446668524
Energy: 1.092875338957422
Energy: 1.0094830891770512
Energy: 0.9925240636188928
Energy: 1.01075750351777
Energy: 1.05969099821664
Energy: 1.1361146866235894
Energy: 1.0069181969451142
Energy: 0.9935951681360774
Energy: 1.0130101246406455
Energy: 1.1691337883717043
Energy: 1.163684360036044
Energy: 1.0099320885912484
Energy: 1.0070298183916362
Energy: 0.9952988141149923
Energy: 1.1396240034358527
Energy: 1.13778511956597
Energy: 1.0059217787451908
Energy: 0.9946899415937047
Energy: 0.996375497328817
Energy: 1.135001038352449
Energy: 1.0150732592200058
Energy: 1.0062570333367733
Energy: 0.9906381117450583
Energy: 1.0037524948980139
Energy: 1.0662169106045962
Energy: 0.989403195819029
Energy: 0.9902470268428865
Energy: 0.9901430348504255
Energy: 0.9933176970999145

minimum gb energy = 0.9657237036898719 eV
minimum distance =  2.34179831709333 Angstroms
sigma value = 185


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

Energy: 0.709829262240701
Energy: 0.687516158658745
Energy: 0.7186021747022782
Energy: 0.6826689545383336
Energy: 0.4871042073054995
Energy: 0.5235027580810376
Energy: 0.6860182142484484
Energy: 0.6888721521406548
Energy: 0.6970488343700807
Energy: 0.6159729014712988
Energy: 0.6895970456809035
Energy: 0.6830804229596675
Energy: 0.6857141703244937
Energy: 0.7062642845147503
Energy: 0.6873029719563528
Energy: 0.6881321142253519
Energy: 0.6828330128221111
Energy: 0.70394747140624
Energy: 0.7188982106093057
Energy: 0.6886569033516162
Energy: 0.6993915767371361
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Energy: 0.7029341016397332
Energy: 0.6984035842304548
Energy: 0.558491309653487
Energy: 0.6856366074940771
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Energy: 0.4828630862009762
Energy: 0.4849572251363736
Energy: 0.7069753998596022
Energy: 0.7253664540659609
Energy: 0.6843870324322262
Energy: 0.5568004660399979
Energy: 0.5582023914162455
Energy: 0.7000697412122608
Energy: 0.6971386435971199
Energy: 0.697605033057166
Energy: 0.48262818460127704
Energy: 0.6984431562283007
Energy: 0.7133124718700599
Energy: 0.767752555810456
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Energy: 0.6989005136226866
Energy: 0.6889741919778113
Energy: 0.6970063404423071
Energy: 0.6848881591607319
Energy: 0.7100253110402923
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Energy: 0.6874359164889249
Energy: 0.7065116678755371
Energy: 0.7028299484872826
Energy: 0.4829431783925496
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Energy: 0.7877299376597231
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Energy: 0.6899952843471199
Energy: 0.4824194549402389
Energy: 0.48485830710625977
Energy: 0.7075564985877362
Energy: 0.6878580732887497
Energy: 0.6989817256917193
Energy: 0.48186345976167744
Energy: 0.48648172427607156
Energy: 0.704874236163836
Energy: 0.7016098761120414
Energy: 0.7891162604815788
Energy: 0.48181826800942873
Energy: 0.7175721326787239
Energy: 0.7124999168923356
Energy: 0.7860857947110431
Energy: 0.8010643656676686
Energy: 0.7818967641935004
Energy: 0.7783744476882952
Energy: 0.7139277055718266
Energy: 0.7768010679565872
Energy: 0.7955164607068764
Energy: 0.8136168747435428
Energy: 0.7081127338160423
Energy: 0.7040024652640772
Energy: 0.7855256025433559
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Energy: 0.48367843494771884
Energy: 0.7872054758143958
Energy: 0.7092664683946498
Energy: 0.7855811805496477
Energy: 0.5232481444404773
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Energy: 0.7856780519457492
Energy: 0.7893792360930263
Energy: 0.7259484612474483
Energy: 0.48397728329704504
Energy: 0.8007010179911866
Energy: 0.6988526699115754
Energy: 0.7859268861030344
Energy: 0.7981413793384542
Energy: 0.4835379195764503
Energy: 0.791787792700254
Energy: 0.701205165828791
Energy: 0.7767130563374496
Energy: 0.7997998383768299
Energy: 0.48511400417141615
Energy: 0.7982573178178208
Energy: 0.773760629613506
Energy: 0.7825991121833716
Energy: 0.4842636190062675
Energy: 0.4843183643525853
Energy: 0.7970905221820376
Energy: 0.6905085889203438
Energy: 0.7860768684210635
Energy: 0.48351727740095934
Energy: 0.4856554491523534
Energy: 0.7974807915535324
Energy: 0.7113210825946636
Energy: 0.7837900396323587
Energy: 0.4834426967791107
Energy: 0.5222204580048898
Energy: 0.7910366549978989
Energy: 0.715482847536566
Energy: 0.7974284438698425
Energy: 0.7256009664390584
Energy: 0.8054904380570084
Energy: 0.7831130072793819
Energy: 0.7771670312430893
Energy: 0.7980046281376089
Energy: 0.81426850553591
Energy: 0.7978445161863063
Energy: 0.7796899155796743
Energy: 0.7794598739312751
Energy: 0.48416099679115343
Energy: 0.4822252461668474
Energy: 0.7972375977962147
Energy: 0.7760620291983271
Energy: 0.7769023040761079
Energy: 0.4867851146633026
Energy: 0.4824576733336136
Energy: 0.7957847626818464
Energy: 0.7673793991271455
Energy: 0.7734827554023215
Energy: 0.48398511358386875
Energy: 0.48251320453503094
Energy: 0.8108731792342319
Energy: 0.7909996791734231
Energy: 0.7849385335763113
Energy: 0.4835667112159386
Energy: 0.48313946995002555
Energy: 0.7029145597729134
Energy: 0.7837104819533864
Energy: 0.7876199130529089
Energy: 0.8112532218657932
Energy: 0.8226963982665103
Energy: 0.7809364525271498
Energy: 0.7748547297404399
Energy: 0.787426399399546
Energy: 0.809784282806209
Energy: 0.8105487678195501
Energy: 0.7777372710003022
Energy: 0.7728848335048165
Energy: 0.7940794425446297
Energy: 0.48284910360549776
Energy: 0.785945929388009
Energy: 0.7888439558503222
Energy: 0.7601620392073594
Energy: 0.4845862920166945
Energy: 0.48273773210757254
Energy: 0.7819522793378535
Energy: 0.7882258161646485
Energy: 0.7842243132849828
Energy: 0.5259221539396058
Energy: 0.4832165778974344
Energy: 0.7948560590203728
Energy: 0.7992805300863608
Energy: 0.7915911694860185
Energy: 0.8100578074975012
Energy: 0.483409145060811
Energy: 0.791056031286036
Energy: 0.8216888633268736
Energy: 0.7930093711483261
Energy: 0.8107285291563912
Energy: 0.8000691485096503
Energy: 0.7980750564259048
Energy: 0.7826789960315564
Energy: 0.7861365655932375
Energy: 0.4834570392830113
Energy: 0.8214804048087553
Energy: 0.7849899467420324
Energy: 0.7800062466218447
Energy: 0.7913248396567715
Energy: 0.48431652861876096
Energy: 0.4855676225180717
Energy: 0.789103789225132
Energy: 0.755567216479796
Energy: 0.7785908762268133
Energy: 0.5223056146268753
Energy: 0.4874875670559255
Energy: 0.7867804584776964
Energy: 0.7826563854033076
Energy: 0.4838272695402011
Energy: 0.5225152699851913
Energy: 0.7954754193406391
Energy: 0.7742579215216254
Energy: 0.7791744794706088
Energy: 0.8084796225123188
Energy: 0.811478933518704
Energy: 0.7896587945375763
Energy: 0.7784710251225256
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Energy: 0.8028978275650429
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Energy: 0.8187817134775041
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Energy: 0.482681501464262
Energy: 0.48306384346970505
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Energy: 0.7792882602608043
Energy: 0.7923497903280851
Energy: 0.48508715008759223
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Energy: 0.7113982986703508
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Energy: 0.7933162044142068
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Energy: 0.7116681511942391
Energy: 0.7580208318434709
Energy: 0.8001153284022057
Energy: 0.48213765904390843
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Energy: 0.7808666007878218
Energy: 0.7741023721412401
Energy: 0.7944944873754974
Energy: 0.7212711424300736
Energy: 0.7905790156591687
Energy: 0.7729384546210595
Energy: 0.7817975440226164
Energy: 0.8035006490285437
Energy: 0.8030593593481588
Energy: 0.7928013784268358
Energy: 0.7741349140814363
Energy: 0.7600799436043696
Energy: 0.48416855037871115
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Energy: 0.7831857195338586
Energy: 0.7791240631681735
Energy: 0.7111476120845821
Energy: 0.4834341729816762
Energy: 0.48290537794613714
Energy: 0.7865288331292597
Energy: 0.7836341642079594
Energy: 0.7948218269421651
Energy: 0.4832295507470689
Energy: 0.4850345519978949
Energy: 0.7943454996815593
Energy: 0.780975911538865
Energy: 0.7960669421449601
Energy: 0.4827776903909304
Energy: 0.4852027209818298
Energy: 0.7643045929351738
Energy: 0.714991022936545
Energy: 0.704120281357384
Energy: 0.714849570824956
Energy: 0.7928634331978299
Energy: 0.7783648106377732
Energy: 0.7664652824841559
Energy: 0.7691196324619791
Energy: 0.779490878483488
Energy: 0.7180394296284753
Energy: 0.689361665465962
Energy: 0.6932522782700584
Energy: 0.48550408281262225
Energy: 0.4836984114754721
Energy: 0.7844451636962887
Energy: 0.7019187508404275
Energy: 0.7848837966067573
Energy: 0.48839410017398943
Energy: 0.4835281358871621
Energy: 0.7042632845647422
Energy: 0.7168134811995341
Energy: 0.745825419538784
Energy: 0.6869024277053886
Energy: 0.4837168471110616
Energy: 0.707514930232042
Energy: 0.724731803580337
Energy: 0.7454365533228225
Energy: 0.7387871673726732
Energy: 0.7708574129462373
Energy: 0.7698268732103956
Energy: 0.7105166498843246
Energy: 0.6977635170844864
Energy: 0.48395769222631135
Energy: 0.7015701752137
Energy: 0.7083783261245186
Energy: 0.7026349226874635
Energy: 0.6992698974948898
Energy: 0.5572110327565881
Energy: 0.6897090155619771
Energy: 0.7056704585693523
Energy: 0.6999940723390713
Energy: 0.4850428473016552
Energy: 0.4843747677746871
Energy: 0.7115145910403374
Energy: 0.6850977283142126
Energy: 0.7168869365450079
Energy: 0.5600293240019296
Energy: 0.558914025568638
Energy: 0.7140895864272666
Energy: 0.6867952872355999
Energy: 0.6978798567893003
Energy: 0.7550787443735467
Energy: 0.7072480537496088
Energy: 0.6979201252864409
Energy: 0.6878931529164748
Energy: 0.692314846753389
Energy: 0.746194755437056
Energy: 0.6991279116871767
Energy: 0.7118244600073719
Energy: 0.6854639412077462
Energy: 0.7045752969424999
Energy: 0.6177237668427069
Energy: 0.686880435012151
Energy: 0.6866716145288914
Energy: 0.6942608296043251
Energy: 0.6849056833250143
Energy: 0.4838610275590782
Energy: 0.6864224958985252
Energy: 0.6868951835465182
Energy: 0.698982371832253
Energy: 0.6275542295952803

minimum gb energy = 0.48181826800942873 eV
minimum distance =  2.38984401750681 Angstroms
sigma value = 33


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

Energy: 1.015991809203903
Energy: 0.9915551431529179
Energy: 1.0085456022645267
Energy: 0.9912955512395156
Energy: 0.984571885182794
Energy: 0.9843043092945076
Energy: 0.9904579162875473
Energy: 1.00233570396548
Energy: 1.008878424967273
Energy: 1.0026126050464643
Energy: 1.014285468722932
Energy: 1.0028078532135285
Energy: 0.9929840293008789
Energy: 0.9904116800494224
Energy: 0.9850403030675853
Energy: 0.9880795754304632
Energy: 0.9920824973687317
Energy: 0.9861473574325886
Energy: 1.0118093225694667
Energy: 1.0160878949962748
Energy: 0.9980457916981178
Energy: 0.9922005684532498
Energy: 1.0165523276647643
Energy: 1.009151169748394
Energy: 1.0013315911105387
Energy: 0.9846768601417942
Energy: 0.9884682579766345
Energy: 1.0133478751864307
Energy: 1.0047304697687365
Energy: 1.0006911859827614
Energy: 0.9996926859735091
Energy: 1.0005656693077423
Energy: 0.9879795315848684
Energy: 1.0110275084507507
Energy: 1.0158159058697158
Energy: 1.0072231438959796
Energy: 1.0224451549407982
Energy: 0.9918634505791842
Energy: 1.0206348770706684
Energy: 1.0165254364026088
Energy: 1.0118463153162556
Energy: 1.0114505323010858
Energy: 1.0052000567030634
Energy: 1.0038582602828385
Energy: 0.9930179181235756
Energy: 1.0201935522197976
Energy: 1.0088869412253854
Energy: 1.0223393746341094
Energy: 1.004840497464241
Energy: 1.0110816537229965
Energy: 1.0057666516048194
Energy: 1.0120280256456995
Energy: 1.0147008931732207
Energy: 0.99855541392442
Energy: 1.0005081327128187
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Energy: 1.0149139581184805
Energy: 0.9992651010542908
Energy: 0.9987605396681943
Energy: 0.9783980315199379
Energy: 1.0006657669824206
Energy: 1.025422977091903
Energy: 0.9976606955858739
Energy: 0.9949672964605072
Energy: 1.0877778467537373
Energy: 0.9999779881357889
Energy: 1.0069056928632427
Energy: 1.0001144897436507
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Energy: 1.0154944788024378
Energy: 1.0055511282327527
Energy: 1.0086027148011283
Energy: 1.0231317195795215
Energy: 1.0058942930563572
Energy: 1.0118813696553228
Energy: 1.005603621586827
Energy: 1.0093035587641024
Energy: 1.0124448212585009
Energy: 1.01129072462526
Energy: 1.0157947576572468
Energy: 1.0165802079818071
Energy: 0.9975304197147501
Energy: 0.9938295992072999
Energy: 1.0064727541278684
Energy: 1.0079726616973972
Energy: 1.016825291742282
Energy: 0.9931856020167276
Energy: 0.9927441274893162
Energy: 1.0058475125784305
Energy: 0.9974455897993729
Energy: 0.9839907440636575
Energy: 0.9912033786431181
Energy: 1.015141026627869
Energy: 1.0155660697707467
Energy: 0.9922730509409105
Energy: 1.0148122095999557
Energy: 1.0316667783556452
Energy: 1.0163657745795753
Energy: 1.014490568986676
Energy: 1.008714570852976
Energy: 1.0086964316800593
Energy: 1.0103002185824177
Energy: 1.0051615186355576
Energy: 1.0084439367353188
Energy: 1.0037083086787868
Energy: 1.0155206240828738
Energy: 1.0119784557241758
Energy: 1.0070589044734597
Energy: 1.0095859376117156
Energy: 1.0046712439906518
Energy: 0.9931578090313898
Energy: 0.9915097932453076
Energy: 1.0122917894708956
Energy: 0.9939320216832712
Energy: 1.015027550321318
Energy: 0.9940114305420236
Energy: 1.004442568603671
Energy: 1.0045419077544935
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Energy: 1.0031348351374818
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Energy: 0.9904081091243294
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Energy: 1.0023980410143905
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Energy: 0.993846033333968
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Energy: 0.9899783082946128
Energy: 0.9920872829885378
Energy: 1.0088673722935435
Energy: 1.0018650196389272

minimum gb energy = 0.9783980315199379 eV
minimum distance =  2.30672681581648 Angstroms
sigma value = 219


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

Energy: 1.3557137414000402
Energy: 1.3710506097280595
Energy: 1.3878097753331613
Energy: 1.3670511171121162
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Energy: 1.3581940719358774
Energy: 1.3661376357032997
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Energy: 1.3719157659986407
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Energy: 1.3547297995882988
Energy: 1.3617234450375522
Energy: 1.3708237990080119
Energy: 1.3743101823706552
Energy: 1.3965386775772972
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Energy: 1.3717582239367558
Energy: 1.3727331250153203
Energy: 1.3710646512163294
Energy: 1.3633131734016908
Energy: 1.3635620993951854
Energy: 1.3695440765587221

minimum gb energy = 1.3547297995882988 eV
minimum distance =  2.33456158791136 Angstroms
sigma value = 15


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

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Energy: 1.5635901067883453
Energy: 1.6207710301409086
Energy: 1.5569957881526233
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Energy: 1.6254194149753904
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Energy: 1.5871738706743925
Energy: 1.5648679676441295
Energy: 1.5644368662796655
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Energy: 1.6041008639534713
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Energy: 1.5664413265526131
Energy: 1.6563451525469242
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Energy: 1.5595364015201032
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minimum gb energy = 1.5418252851574226 eV
minimum distance =  2.29601745606708 Angstroms
sigma value = 293


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

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Energy: 1.5797561218280587
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Energy: 1.5420156460813232
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Energy: 1.5365417785783428
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Energy: 1.5808254969575484
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Energy: 1.5889586600405818
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Energy: 1.6077136992251042
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Energy: 1.5771208564261003
Energy: 1.5324922526429623
Energy: 1.6081179795300606
Energy: 1.5356290774812211
Energy: 1.5383665682359617
Energy: 1.53675736099249
Energy: 1.572176308872484
Energy: 1.5772181895118356
Energy: 1.5950483656546226
Energy: 1.587491942982128
Energy: 1.5358013656836236
Energy: 1.628543407936233
Energy: 1.5758630931998228
Energy: 1.5374514610657273
Energy: 1.6552274011481234
Energy: 1.535972574189897
Energy: 1.536599956687717
Energy: 1.588256752068027
Energy: 1.5352317178458337
Energy: 1.6136931095139677
Energy: 1.5354440213305929
Energy: 1.537257698717913
Energy: 1.5875407664807848
Energy: 1.5360541193725175
Energy: 1.5360848999493386
Energy: 1.580516074960052
Energy: 1.5378746088530786
Energy: 1.5377800923504013
Energy: 1.5351753821217122
Energy: 1.5361021357133084
Energy: 1.5788053083137874
Energy: 1.5380922951064349
Energy: 1.543640633738006
Energy: 1.5353940131130228
Energy: 1.560875567235721
Energy: 1.6139707652698068
Energy: 1.5667345759866431
Energy: 1.5327067637234664
Energy: 1.535604302846911
Energy: 1.5608622633044613
Energy: 1.5862137485831262
Energy: 1.5612519036560524
Energy: 1.532658299584735
Energy: 1.5358423403105848
Energy: 1.5367973442766696
Energy: 1.6141270275226038
Energy: 1.6085515056910957
Energy: 1.6165208103920594
Energy: 1.607141195018794
Energy: 1.5242213767860324
Energy: 1.6124577978119923
Energy: 1.6075379187731236
Energy: 1.5807259436628442
Energy: 1.6061600335450064
Energy: 1.5389035472377661
Energy: 1.6142512456564737
Energy: 1.6501576133515057
Energy: 1.5368933862765912
Energy: 1.6084217220740542
Energy: 1.5377149568515722
Energy: 1.6443294808593587
Energy: 1.6217313285467378
Energy: 1.5376845435191238
Energy: 1.6090322703958764
Energy: 1.5334023586362404
Energy: 1.5626427309384283
Energy: 1.5356025356577154
Energy: 1.580534065756676
Energy: 1.6189440169845288
Energy: 1.5338113305309933
Energy: 1.538199427990036
Energy: 1.5359361312104278
Energy: 1.580762653032719
Energy: 1.6583160074881624

minimum gb energy = 1.5233599801195985 eV
minimum distance =  2.31377664290726 Angstroms
sigma value = 293


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

Energy: 1.5505824613996546
Energy: 1.55253063916309
Energy: 1.6408260421099576
Energy: 1.556172520150572
Energy: 1.5302392445287156
Energy: 1.5499021345163855
Energy: 1.5516659940407176
Energy: 1.6408474678565461
Energy: 1.5536625599934024
Energy: 1.5305838618462817
Energy: 1.6450617116135315
Energy: 1.5535793469845027
Energy: 1.5479620868464135
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Energy: 1.54895039953098
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Energy: 1.5317859094881605
Energy: 1.554143711121628
Energy: 1.5491969710970572
Energy: 1.5575424641448867
Energy: 1.55041823104352
Energy: 1.5572790475375742
Energy: 1.5528440360530453
Energy: 1.6472995420479297
Energy: 1.5559600491986358
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Energy: 1.550794009655689
Energy: 1.6442830776551853
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Energy: 1.642293216627437
Energy: 1.5403336490116417
Energy: 1.531935790825133
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Energy: 1.530733127656842
Energy: 1.6416530338663993
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Energy: 1.5510752359942903
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Energy: 1.53677940051069
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Energy: 1.6457992674288275
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Energy: 1.5329664164763752
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Energy: 1.5499818269866072
Energy: 1.5310748928091102
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Energy: 1.5495827185819542
Energy: 1.535182962013225
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Energy: 1.5521589839648955
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Energy: 1.5372419182748742
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Energy: 1.5564982377397387
Energy: 1.530324075671987
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Energy: 1.5519231493473824
Energy: 1.5544223597568103
Energy: 1.5548375178005986
Energy: 1.5304903429818992
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Energy: 1.5510730308733047
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Energy: 1.5529005504671223
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Energy: 1.6473451930535175
Energy: 1.5565005350165309
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Energy: 1.5529992401125292
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Energy: 1.6457473347888703
Energy: 1.6426271681559435
Energy: 1.5312092243122843
Energy: 1.5318047424385202
Energy: 1.5541178585062279
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Energy: 1.531350414947785
Energy: 1.5309849272400864
Energy: 1.5566297196186691
Energy: 1.646747222831989
Energy: 1.5564400461576626
Energy: 1.5320750544882675
Energy: 1.5325434625943524
Energy: 1.5558434908786596
Energy: 1.5498891026708175
Energy: 1.554600235114373
Energy: 1.5320704048266744
Energy: 1.5313600314622093
Energy: 1.5512247065790448
Energy: 1.5496820122022863
Energy: 1.5507444838844517
Energy: 1.6422188847618688
Energy: 1.5502310191847926
Energy: 1.555961816847509
Energy: 1.5313134134505382
Energy: 1.555311510901663
Energy: 1.6410465180397156
Energy: 1.5512003374418815
Energy: 1.5588775807335777
Energy: 1.530458515237106
Energy: 1.6419312860163535
Energy: 1.5383308037466188
Energy: 1.5514627605706381
Energy: 1.5498270871448656
Energy: 1.5537909226352389
Energy: 1.6424401752251865
Energy: 1.5373529932610772
Energy: 1.5498885770477364
Energy: 1.5498427049587633
Energy: 1.5506214872716018
Energy: 1.5529464099461565
Energy: 1.646088700584248
Energy: 1.554742615194409
Energy: 1.5330618623918544
Energy: 1.5311093368735946
Energy: 1.553171426099481
Energy: 1.6470871654005022
Energy: 1.5536498043148161
Energy: 1.549767763223952
Energy: 1.531587876487296
Energy: 1.5507295668731593
Energy: 1.531528457228689
Energy: 1.5529044132178311
Energy: 1.5329110358834732
Energy: 1.6457637935103961
Energy: 1.5498812801153738
Energy: 1.5491922296066851
Energy: 1.5497260340110213
Energy: 1.5348204630608693
Energy: 1.549632595593965
Energy: 1.559158920512358
Energy: 1.5535529140974589
Energy: 1.6468972251414467
Energy: 1.6421692600438091
Energy: 1.552043653240014
Energy: 1.5657885517046868
Energy: 1.5525918881239438
Energy: 1.6593025727755624
Energy: 1.5527625719577567
Energy: 1.5523913886458338
Energy: 1.531176953167778
Energy: 1.5490825620317796
Energy: 1.5606638025499944
Energy: 1.6431052403203978
Energy: 1.6459059965006573
Energy: 1.5355735886782083
Energy: 1.5499452473463744
Energy: 1.5370402740206666
Energy: 1.6421361334070552
Energy: 1.6473323262422788

minimum gb energy = 1.5302392445287156 eV
minimum distance =  2.31789466236367 Angstroms
sigma value = 15


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

Energy: 1.4820945168692832
Energy: 1.5321358417660178
Energy: 1.5238966667683105
Energy: 1.5605743552382232
Energy: 1.5791229364613517
Energy: 1.4906766770175641
Energy: 1.6035425366853493
Energy: 1.6294635706940521
Energy: 1.6249047327139872
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Energy: 1.4932663982724728
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Energy: 1.5644770797582852
Energy: 1.5385816315526122
Energy: 1.5395624742467493
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Energy: 1.6225641011323064
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Energy: 1.4753163296225427
Energy: 1.5178539459747493
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Energy: 1.687186564787728
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Energy: 1.4683698170990014
Energy: 1.5967546707098013
Energy: 1.6116672016999964
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Energy: 1.4856116551980931
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Energy: 1.5427883436309757
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Energy: 1.467978961412014
Energy: 1.5683545870616122
Energy: 1.469034071701882
Energy: 1.5503348869413678
Energy: 1.4818920507353799
Energy: 1.5145839451224352
Energy: 1.4841227295103048
Energy: 1.483707025504612
Energy: 1.4981720214573724
Energy: 1.4944698191207382
Energy: 1.520045684576397
Energy: 1.570214208330645
Energy: 1.5157246321474183
Energy: 1.4827755765581965
Energy: 1.482653859171343
Energy: 1.4869947999165292
Energy: 1.5241092802310263
Energy: 1.651037371078461
Energy: 1.587522746236892
Energy: 1.464969977608682
Energy: 1.5283505854713317
Energy: 1.525152090927574
Energy: 1.5419089372301988
Energy: 1.5645856452208726
Energy: 1.4872331359553688
Energy: 1.5761181778447764
Energy: 1.5779352863355425
Energy: 1.5365150856721563
Energy: 1.4602256295311888
Energy: 1.4923912018695413
Energy: 1.5785943627892558
Energy: 1.5916263370315846
Energy: 1.5740429627516135
Energy: 1.4859530679836914
Energy: 1.5168431919979144
Energy: 1.5245777802094984
Energy: 1.5661341052579256
Energy: 1.5430678983002755
Energy: 1.5878269020770424
Energy: 1.5294260739860943
Energy: 1.5229474739001534
Energy: 1.5663340038537257
Energy: 1.542415328537403
Energy: 1.591323176719529
Energy: 1.4827122084642839
Energy: 1.5240579843778448
Energy: 1.4842567714758033
Energy: 1.5535964428045876
Energy: 1.5399630013126153
Energy: 1.466135919766094
Energy: 1.54819573933084
Energy: 1.4840408023853615
Energy: 1.5262102242130415
Energy: 1.5575846663042188
Energy: 1.4839749687231227
Energy: 1.6423933441401364
Energy: 1.6810697401842993
Energy: 1.5970641436561699
Energy: 1.4652280067166221
Energy: 1.4833665431494076
Energy: 1.6446826023673546
Energy: 1.5865390273791902
Energy: 1.6127410111629172
Energy: 1.4826712211022701
Energy: 1.5609211897637885
Energy: 1.5865180866723765
Energy: 1.4827614764958046
Energy: 1.484665861721192
Energy: 1.693664673242708
Energy: 1.5169490996342778
Energy: 1.5403348682616302
Energy: 1.4815146088597664
Energy: 1.4859220340289332
Energy: 1.6297861146856614
Energy: 1.6493825911442288
Energy: 1.4858727645736318
Energy: 1.4873194011106292
Energy: 1.6261725012328117
Energy: 1.6309001891963701
Energy: 1.4841891924707498
Energy: 1.4854745172588864
Energy: 1.48376870984125
Energy: 1.689424062766225
Energy: 1.5038445417021862
Energy: 1.4846812624831867
Energy: 1.4849501564232335
Energy: 1.487143406414103
Energy: 1.5275283265018906
Energy: 1.6859177763187174
Energy: 1.4832061322659313
Energy: 1.484121285855239
Energy: 1.4852914083449322
Energy: 1.5122449671065612
Energy: 1.6601945752611218
Energy: 1.483486580125007
Energy: 1.4866840890726447
Energy: 1.4840630430091748
Energy: 1.484649269666318
Energy: 1.58164735985195
Energy: 1.4803822522797327
Energy: 1.4840114264883757
Energy: 1.4827159188979755
Energy: 1.4845840953315224
Energy: 1.5690814033293903
Energy: 1.5997168243566344
Energy: 1.565087430031042
Energy: 1.595720105087138
Energy: 1.5087358588678415
Energy: 1.4874214351074564
Energy: 1.5557926701062454
Energy: 1.6099719019553786
Energy: 1.5917411401384998
Energy: 1.4821774306652091
Energy: 1.4971931968757575
Energy: 1.5636454951141083
Energy: 1.469167396907552
Energy: 1.524093150435025
Energy: 1.4728638135793142
Energy: 1.4734528062420125
Energy: 1.563407239715153
Energy: 1.4697952816557585
Energy: 1.524492997046731
Energy: 1.473204528628775
Energy: 1.473765105943201
Energy: 1.6375476594542526
Energy: 1.513973583653609
Energy: 1.5046585448985097
Energy: 1.4772952643422679
Energy: 1.5250158239266187
Energy: 1.570971585610568
Energy: 1.5255257367902755
Energy: 1.526670635332681
Energy: 1.4766042558528583
Energy: 1.5005399379689064
Energy: 1.4670925299277595
Energy: 1.5605451988013568
Energy: 1.4744337029495136
Energy: 1.476925538682794
Energy: 1.485039567361839
Energy: 1.468296937604443
Energy: 1.5675013116525927
Energy: 1.4785167891652173
Energy: 1.4758569024095265
Energy: 1.5138989735023352
Energy: 1.627597075743818
Energy: 1.517218311769194
Energy: 1.4894094457405527
Energy: 1.544758861478342
Energy: 1.534658234200115
Energy: 1.57287427707887
Energy: 1.4679305481736746
Energy: 1.4886289945210038
Energy: 1.5435786773883404
Energy: 1.5136441286753697
Energy: 1.4838191964465905
Energy: 1.5436653648942695
Energy: 1.5568596321930848
Energy: 1.5216407825397538
Energy: 1.4845376115443198
Energy: 1.4841494674952938
Energy: 1.5449635622097326
Energy: 1.536025033642214
Energy: 1.5211871548067393
Energy: 1.48456120796618
Energy: 1.489142044790799
Energy: 1.5230282993603848
Energy: 1.475922102778615
Energy: 1.6068792301788466
Energy: 1.4861075398300467
Energy: 1.4894699456436744
Energy: 1.4752421292788866
Energy: 1.4747585751146177
Energy: 1.4970445005297244
Energy: 1.4854303314002975
Energy: 1.7601903540020607
Energy: 1.629196823928713
Energy: 1.5056162397338035
Energy: 1.6518759917325012
Energy: 1.5282301225147883
Energy: 1.5265337571156963
Energy: 1.6284755765967214
Energy: 1.5063664762935727
Energy: 1.6276420960984692
Energy: 1.4994199037845206
Energy: 1.4691023940634789
Energy: 1.6137909078281378
Energy: 1.7000791118450185
Energy: 1.4958424813953803
Energy: 1.5139637007503124
Energy: 1.4692696043459665
Energy: 1.6497266569881677
Energy: 1.7069488613759332
Energy: 1.5573040863188674
Energy: 1.485571984941473
Energy: 1.6512301021479086
Energy: 1.6486995395833233
Energy: 1.6285318254988268
Energy: 1.4998848930984365
Energy: 1.4815599374382855
Energy: 1.6583277260597824
Energy: 1.65019886880091
Energy: 1.6284390056033193
Energy: 1.5102378945313375
Energy: 1.4855989749995615
Energy: 1.4862530248752548
Energy: 1.5368055672396714
Energy: 1.529418066952744
Energy: 1.4815168488702244
Energy: 1.4835841474186047
Energy: 1.482616618425006
Energy: 1.538056418567905
Energy: 1.4851208888218297
Energy: 1.4853633321597683
Energy: 1.4867406582847074
Energy: 1.487878447819369
Energy: 1.481099860324386
Energy: 1.546033653034019
Energy: 1.483369021337363
Energy: 1.4821890910602926
Energy: 1.4921789116146955
Energy: 1.5084394444180191
Energy: 1.5321729690002464
Energy: 1.4855486414465082
Energy: 1.4842189924092493
Energy: 1.584072185870592
Energy: 1.4848064384876638
Energy: 1.548592883407183
Energy: 1.561019439663189
Energy: 1.521848222506134
Energy: 1.5306298087612067
Energy: 1.484675567157377
Energy: 1.492670115637697
Energy: 1.5509710575872464
Energy: 1.5231579030437465
Energy: 1.492840469069104
Energy: 1.494921781536204
Energy: 1.544913028970652
Energy: 1.4662728451689866
Energy: 1.4849162957422062
Energy: 1.4743485796721914
Energy: 1.470747800658489
Energy: 1.5618003316788127
Energy: 1.4675073586453249
Energy: 1.4844005750735156
Energy: 1.4950236102500014
Energy: 1.4978041931688577
Energy: 1.493283333551954
Energy: 1.4818531632146899
Energy: 1.4682189388389422
Energy: 1.488843308222773
Energy: 1.5401228804848832
Energy: 1.5448903656964603
Energy: 1.4857682050250327
Energy: 1.4960353149322527
Energy: 1.492885855410335
Energy: 1.4679316798575162
Energy: 1.550472097164573
Energy: 1.625684999529118
Energy: 1.5673187811627107
Energy: 1.4664325412043993
Energy: 1.5968235095563648
Energy: 1.5512660419621067
Energy: 1.5490811592678257
Energy: 1.5692316661020407
Energy: 1.5800990215426456
Energy: 1.5972067681757927
Energy: 1.5232600559327125
Energy: 1.5435116678037304
Energy: 1.4607734487976953
Energy: 1.5141825362244299
Energy: 1.58759144445415
Energy: 1.5419405999456026
Energy: 1.594125675476617
Energy: 1.4692147912862081

minimum gb energy = 1.4602256295311888 eV
minimum distance =  2.2703801727166 Angstroms
sigma value = 437


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

Energy: 1.484868183407899
Energy: 1.41081334507154
Energy: 1.3196748048318392
Energy: 1.4556019021998292
Energy: 1.3178279731685116
Energy: 1.462003868359201
Energy: 1.4099075116575908
Energy: 1.3689865058959418
Energy: 1.4569724294610826
Energy: 1.4490177065027483
Energy: 1.3183488316330547
Energy: 1.5294955939066548
Energy: 1.3150768222552303
Energy: 1.5968303384766123
Energy: 1.3385510718892986
Energy: 1.3183780670110627
Energy: 1.5296758539938577
Energy: 1.3157911559900939
Energy: 1.5281977799938453
Energy: 1.3192088271014155
Energy: 1.4594813794465593
Energy: 1.3208000834627742
Energy: 1.3920603867400891
Energy: 1.3711331764142547
Energy: 1.3198083694153986
Energy: 1.4599907986469096
Energy: 1.476966478153876
Energy: 1.3932908720985429
Energy: 1.3703456344051417
Energy: 1.3172384560653003
Energy: 1.3713951486051095
Energy: 1.3361789232797063
Energy: 1.518002279034208
Energy: 1.4588920369194274
Energy: 1.3178159985429414
Energy: 1.371968613846733
Energy: 1.3688500019560694
Energy: 1.5168332674145437
Energy: 1.4587544713354044
Energy: 1.389057020228701
Energy: 1.4418261771790675
Energy: 1.4118484964509217
Energy: 1.331616963537036
Energy: 1.3702829436935824
Energy: 1.4654280471765553
Energy: 1.3383968863499551
Energy: 1.4072525739644453
Energy: 1.331353119193992
Energy: 1.334720972069258
Energy: 1.4654810169869312
Energy: 1.313575604392496
Energy: 1.3393716281500594
Energy: 1.3937956853509166
Energy: 1.3397759045847153
Energy: 1.4605059638056523
Energy: 1.3159862248929541
Energy: 1.3800502701607702
Energy: 1.451025864932973
Energy: 1.3406758079818895
Energy: 1.4611172255103804
Energy: 1.4636469010008613
Energy: 1.4561194697046425
Energy: 1.4600751408288521
Energy: 1.3180230995161148
Energy: 1.3894315982994172
Energy: 1.4610772587734644
Energy: 1.4573394397116495
Energy: 1.4588825364650235
Energy: 1.3187010984578886
Energy: 1.389777055465112
Energy: 1.4675222904910605
Energy: 1.3165456006647678
Energy: 1.3218839253798933
Energy: 1.3718437614119405
Energy: 1.5321447837126807
Energy: 1.4775694069540435
Energy: 1.3168317080468714
Energy: 1.321235711595822
Energy: 1.3719607610705533
Energy: 1.5313471806548837
Energy: 1.3705105060613234
Energy: 1.519913371025642
Energy: 1.409942004649974
Energy: 1.3178152489157957
Energy: 1.370173065461926
Energy: 1.3698479349451118
Energy: 1.5202594883325715
Energy: 1.4106791264662755
Energy: 1.5674194735230826
Energy: 1.3687179001890168
Energy: 1.4114241443584594
Energy: 1.4612673071437652
Energy: 1.3171486273776716
Energy: 1.6080367181768391
Energy: 1.4114827247785449
Energy: 1.3366870947754208
Energy: 1.4296039819165087
Energy: 1.320622303725263
Energy: 1.6045145161942544
Energy: 1.4109089572988134
Energy: 1.3157609186728727
Energy: 1.3181824780409448
Energy: 1.4101903344062483
Energy: 1.4617780295024456
Energy: 1.3178755521939123
Energy: 1.3163266111675915
Energy: 1.319195400555901
Energy: 1.4110096452466556
Energy: 1.462048584273082
Energy: 1.3767944686107207
Energy: 1.3175445773161276
Energy: 1.317834613003508
Energy: 1.3167275964340819
Energy: 1.5748048394029415
Energy: 1.3178090392047253
Energy: 1.3177277227045527
Energy: 1.318066566943864
Energy: 1.3165123700519166
Energy: 1.5300654060084435
Energy: 1.3175274073528223
Energy: 1.3175970170255844
Energy: 1.318096412439501
Energy: 1.3888745852689182
Energy: 1.5312065322805175
Energy: 1.4494274695057148
Energy: 1.3169441961757027
Energy: 1.3210455919608535
Energy: 1.3905008321210082
Energy: 1.5293558798910307
Energy: 1.3197589306156894
Energy: 1.3170235574558797
Energy: 1.450688179881756
Energy: 1.645754816034922
Energy: 1.317307216358586
Energy: 1.3211464943062314
Energy: 1.5554318574643073
Energy: 1.4100150215101823
Energy: 1.3178770605361811
Energy: 1.3172141301271436
Energy: 1.3125644690867482

minimum gb energy = 1.3125644690867482 eV
minimum distance =  2.27243451432851 Angstroms
sigma value = 33