Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ag__MO_137719994600_004
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ag
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.097743973135948
cohesive_energy=2.823046017138722
mass=107.8682
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=[1.0763118213651538e-19, 1.559786244617628e-19, 1.96309896434118e-19, 2.30303278077696e-19, 2.59461290639862e-19, 2.8483656416915397e-19, 3.07182121683552e-19, 3.2742882780740996e-19, 3.454100561707919e-19, 3.6138856374167396e-19, 3.75567826952574e-19, 3.8811767652669594e-19, 3.9917109312466193e-19, 4.0884503564075397e-19, 4.17250054262718e-19, 4.2507348276653994e-19, 4.3178820503963397e-19, 4.374567059707259e-19, 4.421382660952739e-19, 4.45879348535664e-19, 4.4872321206101395e-19, 4.50713115440442e-19, 4.51882704383262e-19, 4.52265624598788e-19, 4.51850660850582e-19, 4.505000259481199e-19, 4.48159245885846e-19, 4.445383266930059e-19, 4.39347274398846e-19, 4.3226885802983396e-19, 4.2292496390034597e-19, 4.1084775643325395e-19, 3.9545884986368396e-19, 3.76043673412872e-19, 3.52248146044704e-19, 3.2341857969250794e-19, 2.87369605427508e-19, 2.4232440936259797e-19, 1.85971050614916e-19, 1.1533925392268938e-19, 2.6549348566687197e-20, -8.598593602883879e-20, -2.2971047272311597e-19, -4.1331350627297994e-19, -6.524864341964999e-19, -9.68228985635514e-19, -1.3923363558917519e-18, -1.9741219395831e-18, -2.7939076579018797e-18, -3.985494485906699e-18, -5.79209283663876e-18, -8.69168006531928e-18, -1.371466403057268e-17, -2.3433755884210798e-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: 0.009586298937804646
Energy: 0.01032841263337142
Energy: 0.12301429550766937
Energy: 0.12243275980245676
Energy: 0.013462540248864703
Energy: 0.010775712187984484
Energy: 0.12237042761702285
Energy: 0.1239831587045387
Energy: 0.12181413190588941
Energy: 0.01265389862412707
Energy: 0.010305713046703075
Energy: 0.12062570026534754
Energy: 0.12244561967278306
Energy: 0.12358413387356389
Energy: 0.1231308919000337
Energy: 0.12079223547965307
Energy: 0.12062018255151077
Energy: 0.12239711270495823
Energy: 0.12417267487305975
Energy: 0.12258847004067872
Energy: 0.12309921865633086
Energy: 0.0100659557192311
Energy: 0.009896885284787901
Energy: 0.12115791298204362
Energy: 0.12253784549826044
Energy: 0.12278465092372501
Energy: 0.009929809202591646
Energy: 0.009887961746294631
Energy: 0.12082089223517384
Energy: 0.12326461868159094
Energy: 0.12230094278530042
Energy: 0.01099572704838586
Energy: 0.010961070964640747
Energy: 0.12042010335110921
Energy: 0.12084943587831766
Energy: 0.12294619851305333
Energy: 0.011320157831625518
Energy: 0.01011315025706736
Energy: 0.12054435671880251
Energy: 0.12061325585340792
Energy: 0.12173744978115592
Energy: 0.12165951201431895
Energy: 0.12382187585490878
Energy: 0.011508695652644289
Energy: 0.010063268690751024
Energy: 0.12130249970232267
Energy: 0.12237898417385147
Energy: 0.12333843087288844
Energy: 0.009943355632253324
Energy: 0.12071295132774473
Energy: 0.1235627084662098
Energy: 0.12134873519567817
Energy: 0.12216826774777777
Energy: 0.010641617962596672
Energy: 0.010202873658163096
Energy: 0.12052262366349345
Energy: 0.12086907434135687
Energy: 0.12262747580961013
Energy: 0.011202470920563078
Energy: 0.010264888194413097
Energy: 0.010280862347524894
Energy: 0.12430676692706538
Energy: 0.12225816850336384
Energy: 0.1236207457572058
Energy: 0.12493367119929177
Energy: 0.010266476308734536
Energy: 0.12510568521109866
Energy: 0.12168532900983597
Energy: 0.12195195904745713
Energy: 0.12428791829985741

minimum gb energy = 0.009586298937804646 eV
minimum distance =  2.85641582036979 Angstroms
sigma value = 3


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

Energy: 1.1018347559341566
Energy: 1.0323185490030558
Energy: 1.065986840306
Energy: 0.9691876343874826
Energy: 0.9673571786859441
Energy: 0.964945851454719
Energy: 0.9675711181430208
Energy: 1.035809430965828
Energy: 1.0335147994314142
Energy: 1.0329194690931287
Energy: 0.9101626128448953
Energy: 0.9302198479242325
Energy: 1.0402057134391858
Energy: 1.0363521064414092
Energy: 0.7787893333225867
Energy: 0.7789451401190755
Energy: 0.9532262472868197
Energy: 1.068326269877531
Energy: 0.9239676538560669
Energy: 0.7797873591245585
Energy: 0.8533536328483833
Energy: 1.0816858478810878
Energy: 0.9067658633803234
Energy: 0.7764846091054314
Energy: 0.7781387190618354
Energy: 0.776404018204218
Energy: 1.0814376654470983
Energy: 0.9078155030036131
Energy: 0.7775215756034318
Energy: 0.8720088875375112
Energy: 0.7786623443378975
Energy: 1.0520299885783615
Energy: 1.0263107218295122
Energy: 0.7765414291615608
Energy: 0.7788266372695174
Energy: 0.7768592885757024
Energy: 1.0736944680612004
Energy: 0.9067084238152899
Energy: 0.9061736636748127
Energy: 0.8718390885361753
Energy: 1.0131963461386402
Energy: 1.0367712470355335
Energy: 1.030149426745214
Energy: 1.0879694516492637
Energy: 0.8616342371455776
Energy: 1.0842169053875403
Energy: 0.9620467622923867
Energy: 1.0612908710569147
Energy: 0.8565116614049506
Energy: 0.8899284751814163
Energy: 1.0862800095255571
Energy: 1.035350006705567
Energy: 1.0246154962288108
Energy: 0.9618499446161907
Energy: 1.0298281477040159
Energy: 1.076292541469105
Energy: 1.0830157691489086
Energy: 1.024771869521153
Energy: 0.9616115270995813
Energy: 1.0036924505356377
Energy: 1.1054918530592017
Energy: 1.0494666650885125
Energy: 0.9868608515340016
Energy: 0.8555632809735183
Energy: 1.0453174082317198
Energy: 1.0961537245993438
Energy: 1.0611133294203554
Energy: 0.8576249443567959
Energy: 0.8548979727389345
Energy: 1.0819487394609875
Energy: 1.1058120580548565
Energy: 1.0458429399030484
Energy: 0.9902871533675731
Energy: 0.9917417018981829
Energy: 1.073107279267694
Energy: 1.097726558163118
Energy: 1.047615029209223
Energy: 1.0673263002284425
Energy: 0.99194460910683
Energy: 1.0785134465989898
Energy: 1.1078916004209116
Energy: 0.9591925649901069
Energy: 0.85640700955873
Energy: 1.1613389884562226
Energy: 1.0460662807285888
Energy: 1.098900556587757
Energy: 0.9329737316908281
Energy: 0.9071829260893313
Energy: 0.960148309922321
Energy: 1.0532977774379537
Energy: 1.2238543222252103
Energy: 0.8562482164936094
Energy: 0.9579996433868634
Energy: 0.9866623243217459
Energy: 0.902408566093273
Energy: 0.9583450033010708
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Energy: 0.932222216296706
Energy: 0.9022600445092017
Energy: 0.9050890464541301
Energy: 0.9569093109760727
Energy: 0.8585284490487978
Energy: 0.8236708171819331
Energy: 0.9027528026841435
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Energy: 0.8566070273217803
Energy: 0.969031292665008
Energy: 0.902137723572403
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Energy: 0.918667571523972
Energy: 1.050326028872496
Energy: 1.096922007516727
Energy: 0.8955735236872597
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Energy: 0.9864686274500521
Energy: 1.1080185657293649
Energy: 1.0864905128647213
Energy: 1.056974866685564
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Energy: 1.0144333928130367
Energy: 1.033989051436585
Energy: 1.0767045988875075
Energy: 0.8541563741109541
Energy: 0.8570672557733144
Energy: 1.0358523380837046
Energy: 1.043313514767519
Energy: 1.076723161488962
Energy: 0.8987666208267381
Energy: 0.8562782521047444
Energy: 1.1008332528195992
Energy: 1.0782200556350066
Energy: 1.050056027800577
Energy: 0.8561561957795685
Energy: 0.8561421034915532
Energy: 1.1023858517392946
Energy: 1.051330632001762
Energy: 0.9881895476311257
Energy: 1.0746458405145087
Energy: 1.0474733415902473
Energy: 1.1008620738227157
Energy: 1.0499012868050805
Energy: 1.048190992112363
Energy: 1.0476710984455893
Energy: 1.0501127581728815
Energy: 1.1023491855432632
Energy: 1.0931867823068349
Energy: 1.0139284109637947
Energy: 0.922399642160311
Energy: 1.1001474665477864
Energy: 1.103135216624999
Energy: 1.076169756938399
Energy: 0.8565515198989689
Energy: 0.8574198673733856
Energy: 1.0743739912832304
Energy: 1.1022772498691409
Energy: 1.104594757090034
Energy: 0.8558214492628811
Energy: 0.8926915150880129
Energy: 0.9578108192701548
Energy: 0.9075573152079379
Energy: 0.911934212730018
Energy: 0.8559958451683142
Energy: 0.8851120565390035
Energy: 0.957851787042994
Energy: 0.9089142674606041
Energy: 0.8881053734400515
Energy: 1.0550608929875591
Energy: 0.9169029172968882
Energy: 0.9098002385582669
Energy: 0.9049305913307073
Energy: 0.8884053064181628
Energy: 0.9445046002303679
Energy: 0.8902994639844547
Energy: 0.9114276051935044
Energy: 0.9061028185715603
Energy: 0.961625218252604
Energy: 0.9468547740354549
Energy: 1.1043712352111383
Energy: 1.0995812481993836
Energy: 1.032425724795984
Energy: 0.8574664680900297
Energy: 0.8638572894781286
Energy: 1.1543166139251242
Energy: 1.1021196129157729
Energy: 0.9547168784614171
Energy: 0.9595863833069469
Energy: 0.8603362331744538
Energy: 1.0780025082237568
Energy: 1.0754314101905984
Energy: 0.9212696529173542
Energy: 0.8550459153661576
Energy: 1.028675339022762
Energy: 1.0773553363372181
Energy: 1.0789080417796326
Energy: 1.0501994022388432
Energy: 1.0639937030838718
Energy: 1.0210151616030296
Energy: 1.1066362037230901
Energy: 1.0603394001541875
Energy: 0.906357346551097
Energy: 0.8542400972347517
Energy: 1.0760913071243652
Energy: 1.1020311126250684
Energy: 1.0778996830466405
Energy: 0.9324198728256807
Energy: 0.8550723806495281
Energy: 1.0772787931799614
Energy: 1.1108896468697986
Energy: 1.053521584751108
Energy: 0.9901055804432669
Energy: 0.8998566958282707
Energy: 1.0796462707377175
Energy: 1.098890875887194
Energy: 1.0475497263039986
Energy: 0.896836940535329
Energy: 0.9919935597150977
Energy: 1.074259395078429
Energy: 1.1081530342173134
Energy: 0.9333634346512324
Energy: 0.90766505601651
Energy: 0.945534460637546
Energy: 1.0528855442439402
Energy: 1.0973569617029253
Energy: 0.931581670389422
Energy: 0.9078235387517866
Energy: 0.9051611964324713
Energy: 1.0451790183432663
Energy: 0.9552234679218752
Energy: 0.8544478181618104
Energy: 0.8548651420639832
Energy: 0.960261594135545
Energy: 0.9019021930568543
Energy: 0.9036840706887957
Energy: 0.8561471695467744
Energy: 0.9595020842917104
Energy: 0.9330072352504525
Energy: 0.9017781191666915
Energy: 0.8292718884606753
Energy: 0.8555460202584755
Energy: 0.8565250124447994
Energy: 1.0127135052184668
Energy: 0.902207208506014
Energy: 0.9084492836482398
Energy: 0.9586498665233188
Energy: 0.8571807959123554
Energy: 0.9115048936507089
Energy: 0.9018341344050379
Energy: 0.7769120940829992
Energy: 0.9667590643906858
Energy: 0.8251952844318042
Energy: 1.0477266677286377
Energy: 1.0625058982772886
Energy: 0.7768630011411509
Energy: 0.7819797806382874
Energy: 0.966644636642141
Energy: 1.104697899768596
Energy: 1.069461890622838
Energy: 0.9899234700907952
Energy: 1.0748749823410422
Energy: 1.0177833219740666
Energy: 1.031836652273802
Energy: 1.0778094899232433
Energy: 0.9204849055976263
Energy: 0.7779675267128189
Energy: 0.9209262985122443
Energy: 1.0759246774384779
Energy: 1.0777383841090895
Energy: 0.8945741881980592
Energy: 0.9850228736802242
Energy: 1.066972693181403
Energy: 1.0356459036265295
Energy: 0.9702602945445357
Energy: 0.7817847884613227
Energy: 0.7788424275322418
Energy: 1.0692172806766158
Energy: 0.9716894399302093
Energy: 1.0540663916832762
Energy: 1.0347518537378813
Energy: 0.9677178694941305
Energy: 1.0665154566185968
Energy: 0.9697231080766683
Energy: 0.9672453493324992
Energy: 0.9649360414713544
Energy: 0.9676055919405355
Energy: 1.0666603377414565
Energy: 1.034367957021343
Energy: 0.9591791460995157

minimum gb energy = 0.776404018204218 eV
minimum distance =  2.48841938764255 Angstroms
sigma value = 75


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

Energy: 2.5847881432835447
Energy: 1.0994432793255742
Energy: 0.95238332048976
Energy: 1.1352468717543962
Energy: 1.0841852248785069
Energy: 1.1063660074891168
Energy: 1.1353403989635271
Energy: 0.9837761621362296
Energy: 1.1348473127668322
Energy: 1.0996888519582104
Energy: 0.9488266950618853
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Energy: 0.98417150173079
Energy: 0.9769430169536099
Energy: 1.000587716285604
Energy: 1.0704400411589396
Energy: 0.9802245463825207
Energy: 0.9811189452891185
Energy: 0.9776568770547434
Energy: 0.9564355731339254
Energy: 1.0503027194402028
Energy: 1.2097438996879155
Energy: 1.2100481946533033
Energy: 1.102868455603817
Energy: 0.9943756445340207
Energy: 1.0702267620249943
Energy: 1.2098229736301291
Energy: 1.209648240431328
Energy: 1.0828943918229803
Energy: 0.9453926631275702
Energy: 1.0983443394059726
Energy: 0.9562550806113483
Energy: 1.003747179191507
Energy: 1.0804810857660876
Energy: 0.9453998915829143
Energy: 1.099219344128509
Energy: 0.9673388415233001
Energy: 1.0295323455228964
Energy: 1.0615020389664693
Energy: 0.9951767642399907
Energy: 1.0033792558868606
Energy: 0.9564993186635294
Energy: 1.1191843015765817
Energy: 1.1296755383848496
Energy: 1.1290846053359425
Energy: 0.9820624727057341
Energy: 0.9789080805291134
Energy: 1.1109547738303662
Energy: 1.135028935057003
Energy: 1.1350268153442995
Energy: 1.1460982200265533
Energy: 1.1443490867131454
Energy: 1.1170513556964188
Energy: 0.9474886122144172
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Energy: 1.136209632296874
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Energy: 1.0584230347325867
Energy: 1.0177869274873483
Energy: 0.9533719603200334
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Energy: 0.9581538328264972
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Energy: 1.0900715743746048
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Energy: 1.018700349115166
Energy: 0.9881603645891563
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Energy: 0.993968974324315
Energy: 1.004548147664751
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Energy: 1.1781211683235788
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Energy: 1.166760260718888
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Energy: 1.1397108380151353
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Energy: 1.0180372687794752
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Energy: 0.9867630971102821
Energy: 1.01039284455341
Energy: 0.9918164406760447
Energy: 1.1037649679943786
Energy: 1.1541115669301336
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Energy: 1.1065259483552876
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Energy: 0.9435740828270003
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Energy: 1.1060712654557672
Energy: 0.9805632308482172
Energy: 1.0253167584401486
Energy: 1.0938454385549226
Energy: 1.002138084523017
Energy: 1.000344741084075
Energy: 0.9743039778925355
Energy: 1.0261691957707892
Energy: 1.1071567173368226
Energy: 1.0021512689814707
Energy: 1.0005411081459652
Energy: 1.1675228669723114
Energy: 1.158889558587399
Energy: 1.144353903522637
Energy: 0.9696165105623945
Energy: 1.1272584236381058
Energy: 1.1375510271728217
Energy: 1.159473617456859
Energy: 1.1562765312786292
Energy: 1.1330148155000375
Energy: 1.12763830103232
Energy: 0.9972606209494599
Energy: 0.9898736646498825
Energy: 0.969966543528748
Energy: 1.1519424159481748
Energy: 0.9756302673814038
Energy: 0.9972011441712574
Energy: 0.9969027064190609
Energy: 0.9764019004918049
Energy: 1.1247432901663994
Energy: 0.9768762948089363
Energy: 1.0019873804794852
Energy: 1.0168685140237168
Energy: 1.0131896591647813
Energy: 1.099810292546167
Energy: 0.9418423699856662
Energy: 0.9952095398984592
Energy: 0.9631026788402945
Energy: 1.0132287956039472
Energy: 1.0880376355640258
Energy: 0.9416558111929062
Energy: 1.099974579263486
Energy: 1.0859146764989895
Energy: 1.0837397226476448
Energy: 1.0898679700830711
Energy: 0.9417111368456601
Energy: 1.0999982999580384
Energy: 1.085921426458007
Energy: 1.0854060621813157
Energy: 1.0774510311115177
Energy: 0.935095274753367
Energy: 0.9966190739723549
Energy: 0.9717561517005414
Energy: 1.039430502207803
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Energy: 0.970629098260142
Energy: 0.9967470635803156
Energy: 1.0034570301015608
Energy: 1.0598390646331128
Energy: 1.0890043430861445
Energy: 0.9754926431518623
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minimum gb energy = 0.9349754147651141 eV
minimum distance =  2.56523476280299 Angstroms
sigma value = 105


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

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Energy: 1.0560214239407912
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Energy: 1.2301199252047526
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Energy: 1.2068233651550704
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Energy: 1.0556130384573748
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Energy: 1.0633402080321344
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Energy: 1.1678680741544112
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Energy: 1.0702617922503688
Energy: 1.2007811163130668
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Energy: 1.061449446197699
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Energy: 1.2016795725795215
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Energy: 1.1023960187904067
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Energy: 1.0840446286901382
Energy: 1.0880496959858876
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Energy: 1.1262718494203663
Energy: 1.0837029312708972
Energy: 1.0882501381050411
Energy: 1.0869568119573139
Energy: 1.1242269366745448
Energy: 1.1343711904053027
Energy: 1.0961920991124268
Energy: 1.0383206577332122
Energy: 1.0890661722487471
Energy: 1.0931134339781647
Energy: 1.102270179969161
Energy: 1.0915867365275627
Energy: 1.0538620365294842
Energy: 1.088979057031237
Energy: 1.1248019707282866
Energy: 1.0914824961479257
Energy: 1.0951004101948587
Energy: 1.095034006447136
Energy: 1.075822294187638
Energy: 1.1419710095747526
Energy: 1.078975468736089
Energy: 1.064136102353577
Energy: 1.0651155304957842
Energy: 1.0643788792044082
Energy: 1.1001164047510903
Energy: 1.0871076660348367
Energy: 1.091109078742626
Energy: 1.0955080515980213
Energy: 1.095495746488892
Energy: 1.0245294848113131
Energy: 1.0760721545703977
Energy: 1.0191925627978362
Energy: 1.091160661957735
Energy: 1.0910787371913013
Energy: 1.0515438178618672
Energy: 1.107712552544676
Energy: 1.0239174330562069
Energy: 1.0680700296438812
Energy: 1.129124333075184
Energy: 1.083052492781944
Energy: 1.1041210413346583
Energy: 1.025434067546907
Energy: 1.0670465309310813
Energy: 1.175015108142785
Energy: 1.0847345772075452
Energy: 1.162538085698023
Energy: 1.1282903935585498
Energy: 1.1522338127450986
Energy: 1.1760647224965461
Energy: 1.127150870063739
Energy: 1.2197491332307637
Energy: 1.1281672837221177
Energy: 1.1540483146594764
Energy: 1.1757534528515932
Energy: 1.161414179237018
Energy: 1.095483358613121
Energy: 1.093965458630506
Energy: 1.0319849371609664
Energy: 1.010722941647395
Energy: 1.1516594544431276
Energy: 1.019715050925414
Energy: 1.0112858003239171
Energy: 1.0115102034958556
Energy: 1.0101175380110823
Energy: 1.1708681704852313
Energy: 1.0501934914356488
Energy: 1.0105063364477522
Energy: 1.0109114315881864
Energy: 1.0098028815441873
Energy: 1.0099202791976292
Energy: 1.0054905131818606
Energy: 1.0102249514742507
Energy: 1.0329851140337216
Energy: 1.0102078519072142
Energy: 1.0834028262532505

minimum gb energy = 1.0054905131818606 eV
minimum distance =  2.60346246236215 Angstroms
sigma value = 165


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

Energy: 1.6256400898389058
Energy: 1.0656262191199326
Energy: 1.0489186236143537
Energy: 1.0494279758568423
Energy: 1.0109945664836524
Energy: 1.1388762041413762
Energy: 1.0482552826786016
Energy: 1.0760024453959958
Energy: 1.0477294767994088
Energy: 1.0649213973810736
Energy: 1.064192018313015
Energy: 1.151904905627992
Energy: 1.0728143478580034
Energy: 1.124822526194366
Energy: 1.1252079578727012
Energy: 1.0376808646447389
Energy: 1.0386807794591082
Energy: 1.1484324924270424
Energy: 1.1553397942618464
Energy: 1.1279425772455864
Energy: 1.0504047476554141
Energy: 1.1750875418477964
Energy: 1.1443956094371595
Energy: 1.0471038606622507
Energy: 1.1673932091103494
Energy: 1.09829073778916
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Energy: 1.0720665889120007
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Energy: 1.1532484234321816
Energy: 1.1449128330584044
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Energy: 1.0522761802182172
Energy: 1.168007477109797
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Energy: 1.008423412609928
Energy: 1.0770456777654367
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Energy: 1.2024975736338905
Energy: 1.125389220344626
Energy: 1.0086091976283236
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Energy: 1.1273288670150918
Energy: 1.1994112039219136
Energy: 1.011104018269003
Energy: 1.1484390694205304
Energy: 1.1086968347775648
Energy: 1.2002334366113583
Energy: 1.2067095341236425
Energy: 1.192864389900164
Energy: 1.1068617704421253
Energy: 1.0870136003164907
Energy: 1.1268396501164575
Energy: 1.0460724243983246
Energy: 1.1913981106566236
Energy: 1.0671274993933437
Energy: 1.1321326644765917
Energy: 1.1068615329536489
Energy: 1.1173820511235655
Energy: 1.0861621884506993
Energy: 1.0467573795364262
Energy: 1.0534529438852436
Energy: 1.1177006308768935
Energy: 1.2107868740447674
Energy: 1.1074682787803227
Energy: 1.0461873495106067
Energy: 1.2035779567031815
Energy: 1.104291379990789
Energy: 1.0389456456785184
Energy: 1.0644304868465224
Energy: 1.0958772209384569
Energy: 1.1379496200969568
Energy: 1.1524603979574
Energy: 1.1508029569313374
Energy: 1.1036920350324568
Energy: 1.1621012576042693
Energy: 1.0776246852631381
Energy: 1.037504497596928
Energy: 1.0363485658690197
Energy: 1.0700906675370603
Energy: 1.1628815617471833
Energy: 1.141718756677561
Energy: 1.1115203028265743
Energy: 1.1537515045691265
Energy: 1.0798206082498971
Energy: 1.1163257149256498
Energy: 1.0872832295586403
Energy: 1.0724593923925163
Energy: 1.06737601564891
Energy: 1.037876437128401
Energy: 1.1656185979023812
Energy: 1.0871699063666669
Energy: 1.0728629163893064
Energy: 1.070086411775644
Energy: 1.0765941138119544
Energy: 1.0640185372584003
Energy: 1.2143024702616116
Energy: 1.0754933036609564
Energy: 1.051650923019783
Energy: 1.0378225288859018
Energy: 1.010494004779257
Energy: 1.125557249810994
Energy: 1.0497876528437085
Energy: 1.0489337846237152
Energy: 1.1539893699703943

minimum gb energy = 1.008423412609928 eV
minimum distance =  2.59727289756047 Angstroms
sigma value = 41


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

Energy: 0.9856190806963082
Energy: 0.9285916102571415
Energy: 0.93249945353419
Energy: 0.8994912146201541
Energy: 0.8969343324853292
Energy: 0.9737100200245689
Energy: 0.8989637293598003
Energy: 0.9349980615263407
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Energy: 0.9189763846660329
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Energy: 0.9256135846592574
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Energy: 1.0483118231273993
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Energy: 1.0465740746143062
Energy: 0.9799272141352248
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Energy: 1.0416965384662968
Energy: 1.0453264925350558
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Energy: 1.0311066206991601
Energy: 1.0351480260169466
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Energy: 1.0097736300669649
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Energy: 1.0099900709664291
Energy: 1.0384125889782685
Energy: 0.9851020543511954
Energy: 0.9850759764316254
Energy: 0.9792035537630079
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Energy: 1.0322895003689658
Energy: 0.9519348517374092
Energy: 1.012727520961938
Energy: 0.9952850549910931
Energy: 0.9663286154124745
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Energy: 0.9567745303262135
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Energy: 0.9428338618013243
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Energy: 0.9513104681320111
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Energy: 0.9147917052068452
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Energy: 0.9168685315005802
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Energy: 1.047788805815197
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Energy: 0.9151820730329987
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Energy: 0.9569088073668801
Energy: 0.9372984427397321
Energy: 0.9334265400484433
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Energy: 1.0129089311742407
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Energy: 1.039817859896596
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Energy: 1.0034885610897228
Energy: 1.0373317212669078
Energy: 1.048603053771875
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Energy: 1.0028680830635437
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Energy: 1.0032632336630187
Energy: 0.9691669798329279
Energy: 1.0054854737716874
Energy: 1.0501209202932489
Energy: 0.971998713326717
Energy: 1.0034270158844376
Energy: 1.0101996318413764
Energy: 0.9678462139752848
Energy: 1.0053145502859244
Energy: 0.9317673553840421
Energy: 1.043058864018317
Energy: 1.017303699035817
Energy: 0.9985151258167602
Energy: 1.0261481174898355
Energy: 0.976904992457428
Energy: 1.0476578773891727
Energy: 1.0307101695914909
Energy: 0.9055815221795968
Energy: 0.9673685830474169
Energy: 0.8985271086873624
Energy: 1.0454335690426824
Energy: 1.0310509759908866
Energy: 1.0002417557794605
Energy: 1.0117590118648303
Energy: 0.9674197145570336
Energy: 0.9680648055168735
Energy: 1.0031428965822775
Energy: 0.9013394661294013
Energy: 0.9500077831625457
Energy: 1.0028164958889711
Energy: 1.0012800408344218
Energy: 1.0369798625896518
Energy: 0.9753917820232881
Energy: 0.9447492602733267
Energy: 0.9998762557774139
Energy: 0.9974694973689628
Energy: 0.9003082474522484
Energy: 0.8977077867953235
Energy: 0.9290518388738102
Energy: 0.9038479255450166
Energy: 1.0218585228630965
Energy: 0.9570374988875762
Energy: 0.972578022815388
Energy: 0.9358763705811839
Energy: 0.9145641331410678
Energy: 0.9723200314027699
Energy: 0.9396677358334481
Energy: 0.8997894865280093
Energy: 0.9292898629419738
Energy: 0.9147345021039849
Energy: 0.9707787780367637
Energy: 0.929037829079287
Energy: 0.9709795333950793
Energy: 0.9388698041241922
Energy: 0.9747340682388499
Energy: 1.054317138262898
Energy: 0.963973328362976
Energy: 0.9304920281766631
Energy: 0.899513438602162
Energy: 1.0059333805683244
Energy: 1.0134694781306128
Energy: 0.9679981610921464
Energy: 0.8991674922200704
Energy: 0.8973181669038987
Energy: 1.006426844083711
Energy: 0.8990182522504024
Energy: 0.9693244278297484
Energy: 0.9796908928468938
Energy: 0.9022793116703122
Energy: 1.0610182153437566
Energy: 0.9001210938190808
Energy: 0.9620044651908374
Energy: 0.9461520668127692
Energy: 0.9306516740528918

minimum gb energy = 0.8969343324853292 eV
minimum distance =  2.58508279191451 Angstroms
sigma value = 185


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

Energy: 0.8280713839889962
Energy: 0.7216822044781898
Energy: 0.7115060866438119
Energy: 0.6635621232451017
Energy: 0.43013071178923057
Energy: 0.433065268346304
Energy: 0.6181860057888887
Energy: 0.6649077026862381
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Energy: 0.43297480032331853
Energy: 0.6688027986524084
Energy: 0.6212789313504644
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Energy: 0.6422401567653571
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Energy: 0.7170355631158329
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Energy: 0.6544279132662867
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Energy: 0.620418144838025
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Energy: 0.4991950728614005
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Energy: 0.7610920710251189
Energy: 0.6214666589612365
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Energy: 0.6468495308574872
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Energy: 0.6190801604096611
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Energy: 0.6668607172158437
Energy: 0.6424035842051639
Energy: 0.644913077337629
Energy: 0.48513038597603325
Energy: 0.48405876750115207
Energy: 0.6606785281635541
Energy: 0.6425068433533425
Energy: 0.6715279724637705
Energy: 0.4836232004894302
Energy: 0.49654025334807184
Energy: 0.6904111307477961
Energy: 0.8338444691553872
Energy: 0.6883953986207291
Energy: 0.4846064527668789
Energy: 0.49863990020305804
Energy: 0.7364741361007301
Energy: 0.6420234432830709
Energy: 0.7095735745541671
Energy: 0.7277061514260911
Energy: 0.7968019236034167
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Energy: 0.6907910577109548
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Energy: 0.4256851010326624
Energy: 0.6912985367456471
Energy: 0.8539355649750839
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Energy: 0.6197119556961659
Energy: 0.8837199860743019
Energy: 0.7595161422406035
Energy: 0.4299184132711732
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Energy: 0.7814269455739085
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Energy: 0.8108945360875224
Energy: 0.4813193093686205
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Energy: 0.7701958963238337
Energy: 0.6219055941017253
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Energy: 0.7791604661905509
Energy: 0.7702512188260086
Energy: 0.6840803119263177
Energy: 0.7529300440198988
Energy: 0.8252705270583945
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Energy: 0.9653007900542556
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Energy: 0.43047284163209937
Energy: 0.9346381578832377
Energy: 0.773485364506021
Energy: 0.7872712745226293
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Energy: 0.6691221016830764
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Energy: 0.9025125961493357
Energy: 0.4808060647321908
Energy: 0.7831868175189064
Energy: 0.7815660482643664
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Energy: 0.8252099781902955
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Energy: 0.4290795247841755
Energy: 0.7789666956207921
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Energy: 0.6420832974625919
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Energy: 0.6636012999656046
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Energy: 0.6868995420989267
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Energy: 0.6238137117003902
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Energy: 0.642631865842807
Energy: 0.6867944524236541
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Energy: 0.5650227496337589
Energy: 0.6830067995591267
Energy: 0.72130502445665
Energy: 0.7489221783028382
Energy: 0.49417006975785305
Energy: 0.485273612962077
Energy: 0.6205371777389063
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Energy: 0.6574942705160822
Energy: 0.6911827435605422
Energy: 0.5921692606015662
Energy: 0.6629575253137613
Energy: 0.6771950213920886
Energy: 0.6383715528727787
Energy: 0.6917160710387965
Energy: 0.6855642669809393
Energy: 0.6463332008188313
Energy: 0.6449793341389555
Energy: 0.6387329084075827
Energy: 0.427035679605089
Energy: 0.6745591654185735
Energy: 0.6226620996382151
Energy: 0.6506004478440552
Energy: 0.6178368645107177
Energy: 0.6411608939970648
Energy: 0.6452376782799486
Energy: 0.6605487424206344
Energy: 0.7205954670767185
Energy: 0.4300946936843258
Energy: 0.43170666972540767
Energy: 0.6209565220489661
Energy: 0.6474234419062954
Energy: 0.6195367497497155
Energy: 0.6158558361966796
Energy: 0.6437894836622515
Energy: 0.6218645011231309
Energy: 0.6233631269109713
Energy: 0.6666840542977299
Energy: 0.6572228138276003
Energy: 0.6420787111770497
Energy: 0.6427450767553876
Energy: 0.6630812243366666
Energy: 0.6241316110118146
Energy: 0.6184401534446408
Energy: 0.7058689712721903
Energy: 0.6572403481616766
Energy: 0.6486397166822414
Energy: 0.6476945675132606
Energy: 0.756761191917293
Energy: 0.6493748431418912
Energy: 0.6408166891214385
Energy: 0.646244663854397
Energy: 0.6195838253166542
Energy: 0.426272142647248
Energy: 0.6182271942564539
Energy: 0.6626451287720474
Energy: 0.7284979794676361
Energy: 0.7260567180295572

minimum gb energy = 0.4256851010326624 eV
minimum distance =  2.71154956753863 Angstroms
sigma value = 33


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

Energy: 0.9153765947373571
Energy: 0.8780381889840301
Energy: 0.8765742486600069
Energy: 0.8832360592665478
Energy: 0.8667403493685978
Energy: 0.8690147286925672
Energy: 0.8739204220725201
Energy: 0.8816176648601779
Energy: 0.8752402619154275
Energy: 0.8794740198262906
Energy: 0.8776661344839503
Energy: 0.8739011504412898
Energy: 0.8789723490524696
Energy: 0.8803028905880947
Energy: 0.8729397176565434
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Energy: 0.8665339095182117
Energy: 0.8794721402190402
Energy: 0.8759763999562242
Energy: 0.8901634621034616
Energy: 0.8744501663740771
Energy: 0.8793824586118929
Energy: 0.8773711804163995
Energy: 0.8731513159855204
Energy: 0.8885634936480171
Energy: 0.8702471729472038
Energy: 0.8736664969172312
Energy: 0.8730137639774459
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Energy: 0.8791320071457562
Energy: 0.8874279540671627
Energy: 0.8871386623852899
Energy: 0.8839618196891219
Energy: 0.8940076920307263
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Energy: 0.8909339462612831
Energy: 0.8973633144754951
Energy: 0.8880897607807755
Energy: 0.8979689179422171
Energy: 0.8845242373433988
Energy: 0.8927782347671367
Energy: 0.8816606167142991
Energy: 0.8917293804015751
Energy: 0.886378283974953
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Energy: 0.8963557876282165
Energy: 0.9068270707445837
Energy: 0.8963165027642924
Energy: 0.8879606415920114
Energy: 0.8856623837957558
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Energy: 0.893502599064825
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Energy: 0.8839411080686762
Energy: 0.8844411313720003
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Energy: 0.8877014585067008
Energy: 0.8973901610717139
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Energy: 0.8771946049245111
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Energy: 0.891898281568567
Energy: 0.8985475168403174
Energy: 0.8954485683523091
Energy: 0.8776121108553216
Energy: 0.8770019859137794
Energy: 0.8921412829325946
Energy: 0.9088481380762178
Energy: 0.8706037192298937
Energy: 0.8753353440516168
Energy: 0.8908538728923064
Energy: 0.903342556566983
Energy: 0.871554228908446
Energy: 0.8989371723342962
Energy: 0.900445821482968
Energy: 0.9060765559018601
Energy: 0.8886722666149585
Energy: 0.888081731051584
Energy: 0.898641390462439
Energy: 0.8941450776958723
Energy: 0.8863861192667875
Energy: 0.8871617199195968
Energy: 0.886417158817051
Energy: 0.8987133051986794
Energy: 0.9036278182091005
Energy: 0.8869386023501622
Energy: 0.8880454771432252
Energy: 0.8878482813124138
Energy: 0.8770873681344755
Energy: 0.8758191883180744
Energy: 0.8886168202915865
Energy: 0.8772472258348905
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Energy: 0.8866234584798449
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Energy: 0.8744029078304877
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Energy: 0.8863195718888032
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Energy: 0.8802082133345316
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Energy: 0.8860502372934285
Energy: 0.8721348817100719
Energy: 0.87329212002537
Energy: 0.8746211846768873
Energy: 0.8723457987327989
Energy: 0.8692871473228219
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Energy: 0.883936853335952
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Energy: 0.8636828805831819
Energy: 0.874800850482184
Energy: 0.885929781484638
Energy: 0.8916139108912048
Energy: 0.8904414708444368

minimum gb energy = 0.8636828805831819 eV
minimum distance =  2.62784373982199 Angstroms
sigma value = 219


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

Energy: 1.1519504509165943
Energy: 1.1548717663305728
Energy: 1.1823119745993886
Energy: 1.171136158302351
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Energy: 1.1503415654629532
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Energy: 1.1525349991051301
Energy: 1.1677102668875146
Energy: 1.1753444185635666
Energy: 1.1808525381009072
Energy: 1.1783760387515045
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Energy: 1.1492284377442499
Energy: 1.1803535259227016
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Energy: 1.1895854640688845
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Energy: 1.1795471219803635
Energy: 1.2172321324063178
Energy: 1.1763400235620673
Energy: 1.1488668918817515
Energy: 1.1480673753428834
Energy: 1.17886801367672

minimum gb energy = 1.1326038068119715 eV
minimum distance =  2.63179475474168 Angstroms
sigma value = 15


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

Energy: 1.2892825784313109
Energy: 1.3006315578873267
Energy: 1.3615410443295655
Energy: 1.3089999555303709
Energy: 1.3250929772322828
Energy: 1.286330157977547
Energy: 1.313752102020913
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Energy: 1.306829761311588
Energy: 1.3026568252594102
Energy: 1.301048961564209
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Energy: 1.302600104444294
Energy: 1.3369586078189708
Energy: 1.3333616856712005
Energy: 1.3017099799012508
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Energy: 1.309497233608346
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Energy: 1.3110290377755698
Energy: 1.333610726585041
Energy: 1.2820027438680286
Energy: 1.3098855835353636
Energy: 1.3419485560859372
Energy: 1.3105761595194536
Energy: 1.3026745470216952
Energy: 1.3374915861151353
Energy: 1.3315916273951893
Energy: 1.2773205417836158
Energy: 1.2754458320367537
Energy: 1.3084827462320814
Energy: 1.3056073477467447
Energy: 1.3083510429303729
Energy: 1.2800681093798936
Energy: 1.284363054570553
Energy: 1.3080133700679413
Energy: 1.304729699977312
Energy: 1.3033005580525967
Energy: 1.3119136908743283
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minimum gb energy = 1.272815805783411 eV
minimum distance =  2.6144864333614 Angstroms
sigma value = 293


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

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Energy: 1.4057540853972537
Energy: 1.2960706138172382
Energy: 1.2910571200746443
Energy: 1.3085007890477602
Energy: 1.2684436137056057
Energy: 1.4052439012996403
Energy: 1.2938135344186796
Energy: 1.2911246947831845
Energy: 1.3054449752199395
Energy: 1.2913751188635763
Energy: 1.2917216628470698
Energy: 1.2933419166140414
Energy: 1.3097854051225444
Energy: 1.29216955246134
Energy: 1.29178955078041
Energy: 1.291382888108313
Energy: 1.295057635230735
Energy: 1.3106252993865362
Energy: 1.2918939739409265
Energy: 1.3215947470506
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Energy: 1.3514954254090823
Energy: 1.3439187653762736
Energy: 1.2726450215104923
Energy: 1.273421610378776
Energy: 1.2964270036515702
Energy: 1.2912522222543086
Energy: 1.3452215741890192
Energy: 1.2718638747389694
Energy: 1.273164485762691
Energy: 1.2952938411868535
Energy: 1.2914896294101086
Energy: 1.2926403191978617
Energy: 1.3579972504130542
Energy: 1.2933255745797303
Energy: 1.3085879316433924
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Energy: 1.2934841636081695
Energy: 1.29120894430646
Energy: 1.2930487082445585
Energy: 1.3080184479591905
Energy: 1.2915795840491866
Energy: 1.288804079473617
Energy: 1.2890099397757733
Energy: 1.3291965392452065
Energy: 1.2923144858317812
Energy: 1.3281705387025653
Energy: 1.290596708673303
Energy: 1.2892133770251024
Energy: 1.3282279847132228
Energy: 1.2926935123643941
Energy: 1.3278233625945346
Energy: 1.2912097429356315
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Energy: 1.366386363530749
Energy: 1.3383994274745368
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Energy: 1.2906433817780554
Energy: 1.3665000344894136
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Energy: 1.3370234327456731
Energy: 1.29362610386179
Energy: 1.3658916957624672
Energy: 1.33570683786783
Energy: 1.3398134202355436
Energy: 1.3365915965782411
Energy: 1.2941928814218389
Energy: 1.366469380494431
Energy: 1.3353058690858444
Energy: 1.3165695462912133
Energy: 1.3092426432118263
Energy: 1.2937423196258007
Energy: 1.4052370296387868
Energy: 1.303175035606702
Energy: 1.2932054238539783
Energy: 1.309471174724441
Energy: 1.2918066136044126
Energy: 1.3032599285030024
Energy: 1.3032471759904674
Energy: 1.2931654899401082
Energy: 1.2953091510869381
Energy: 1.2940090935132949
Energy: 1.2678756754833511
Energy: 1.2673462212705353
Energy: 1.310306622740173
Energy: 1.2945903495232962
Energy: 1.3289725061459496
Energy: 1.2684732558948026
Energy: 1.2671148143259048
Energy: 1.3100193057338485
Energy: 1.3094636406025937
Energy: 1.3123465890985073
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Energy: 1.3445754212455332
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Energy: 1.3090773114546452
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Energy: 1.2907461617828373
Energy: 1.3404770185716999
Energy: 1.3035198036526536
Energy: 1.2902896939938995
Energy: 1.3475876035113543
Energy: 1.2928951769041737
Energy: 1.3453006199684903
Energy: 1.3032265893670787
Energy: 1.2895421802757887
Energy: 1.3453848223102234
Energy: 1.29265419006031
Energy: 1.2720476371092682
Energy: 1.2916126787902493
Energy: 1.338668156376766
Energy: 1.2848055784748955
Energy: 1.272384043758961
Energy: 1.321456369792824
Energy: 1.291221996294109
Energy: 1.3805990585379624
Energy: 1.2850579846023487
Energy: 1.273651894270907
Energy: 1.3697167543535218
Energy: 1.2921892307361709
Energy: 1.2926951270316926
Energy: 1.3227456349940854
Energy: 1.271775667535809
Energy: 1.295454376088878
Energy: 1.291358180438696
Energy: 1.2941758726085748
Energy: 1.3216038983124219
Energy: 1.2721165985485026
Energy: 1.2930702051888876
Energy: 1.30825898419616
Energy: 1.291363664574387
Energy: 1.294614080642024
Energy: 1.290799949986342
Energy: 1.2948026124302516
Energy: 1.3090160188176532
Energy: 1.2911827463285133
Energy: 1.2917266307412454
Energy: 1.2911813746426783
Energy: 1.3272202418087113
Energy: 1.3354221688068932
Energy: 1.3292774479748968
Energy: 1.2890763137528776
Energy: 1.289662746974508
Energy: 1.327640637515731
Energy: 1.335238419857142
Energy: 1.3293418471799603
Energy: 1.2886451164234953
Energy: 1.2898340895237812
Energy: 1.2934382096046475
Energy: 1.3372249210942826
Energy: 1.3673812923835535
Energy: 1.2930013074370859
Energy: 1.3668870735626213
Energy: 1.3044902669051672
Energy: 1.3385669319735745
Energy: 1.3670848694197977
Energy: 1.3417998084694227
Energy: 1.366234949229084
Energy: 1.2931463630357705
Energy: 1.3371843993850172
Energy: 1.3102470214733437
Energy: 1.2918355872172043
Energy: 1.3671492955379614
Energy: 1.291607125541879
Energy: 1.337567516557168
Energy: 1.3123913825112559
Energy: 1.2926357993474156
Energy: 1.3681740576770824
Energy: 1.2678569324739177
Energy: 1.294147070443032
Energy: 1.2924366868441268
Energy: 1.3098223156522073
Energy: 1.3679925580888455
Energy: 1.3708552030089145
Energy: 1.2939480982899223
Energy: 1.2928618457086702
Energy: 1.3102921786717194
Energy: 1.4067121237039686

minimum gb energy = 1.2671148143259048 eV
minimum distance =  2.6239397942926 Angstroms
sigma value = 293


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

Energy: 1.2718984036967578
Energy: 1.2822009838104922
Energy: 1.3806911825064399
Energy: 1.2884656062425124
Energy: 1.2815693805176
Energy: 1.2724776595166487
Energy: 1.2902093393929408
Energy: 1.3802634462704484
Energy: 1.2883997581814364
Energy: 1.2801216627924163
Energy: 1.2742106821331558
Energy: 1.2885732067839843
Energy: 1.288887632665571
Energy: 1.28875650224391
Energy: 1.2891876915377443
Energy: 1.3712990808310122
Energy: 1.2882895704188764
Energy: 1.2783911213767563
Energy: 1.2887597143798726
Energy: 1.2890053654954017
Energy: 1.2885608782040647
Energy: 1.2883380226394525
Energy: 1.2876652462755716
Energy: 1.2895212592260803
Energy: 1.3701592219932879
Energy: 1.2890974918236333
Energy: 1.2887474184613386
Energy: 1.2878708752549772
Energy: 1.3782739469240524
Energy: 1.3718142969085714
Energy: 1.3768818784824466
Energy: 1.2734154982100057
Energy: 1.2772867178442031
Energy: 1.2885914963476797
Energy: 1.3724495126514837
Energy: 1.3788054583085025
Energy: 1.2729628630456187
Energy: 1.2792899188291271
Energy: 1.2885721305218658
Energy: 1.2738636014794118
Energy: 1.2881147535340889
Energy: 1.2810695784887631
Energy: 1.2729376669861157
Energy: 1.2887641523041207
Energy: 1.288294285092267
Energy: 1.2887119113744299
Energy: 1.2783836922276894
Energy: 1.2732135739706154
Energy: 1.2892175915537152
Energy: 1.2885817232808143
Energy: 1.2886492288521731
Energy: 1.3772926406976704
Energy: 1.2899562676014535
Energy: 1.2880111708420512
Energy: 1.2803360784720244
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Energy: 1.3794564304803432
Energy: 1.2902446334419189
Energy: 1.2875498758142514
Energy: 1.2817253407901408
Energy: 1.3813917323197968
Energy: 1.2726935090279787
Energy: 1.289037977002203
Energy: 1.2888777008519443
Energy: 1.2893049306465882
Energy: 1.3812078371417353
Energy: 1.2719826865100186
Energy: 1.2893358901306413
Energy: 1.2886906397378817
Energy: 1.28907272741108
Energy: 1.2891895379342913
Energy: 1.3687430374485638
Energy: 1.2886430354519838
Energy: 1.272901207123447
Energy: 1.2819824515918024
Energy: 1.2894238387283112
Energy: 1.3675281864060236
Energy: 1.2888285607627117
Energy: 1.2722528817188492
Energy: 1.2822791018131814
Energy: 1.2880384648935346
Energy: 1.2775553192939846
Energy: 1.2886544875187655
Energy: 1.2758426635282776
Energy: 1.3733748410147177
Energy: 1.288138316975669
Energy: 1.2889476772105557
Energy: 1.2888130194295335
Energy: 1.274527284152942
Energy: 1.3764067107860398
Energy: 1.2878367150741108
Energy: 1.2877785169857625
Energy: 1.3680108482876456
Energy: 1.381062757705632
Energy: 1.2875898129166368
Energy: 1.2877443276013139
Energy: 1.288359913875444
Energy: 1.3661336484864486
Energy: 1.2927727327697747
Energy: 1.286753392626595
Energy: 1.2739725227769803
Energy: 1.28997963163577
Energy: 1.2861384765345334
Energy: 1.2891510681391547
Energy: 1.375240216647239
Energy: 1.274744598773745
Energy: 1.2897970891954926
Energy: 1.2718360392066006
Energy: 1.2890654111103776
Energy: 1.3738301123471146
Energy: 1.2721303896090994
Energy: 1.2901135046215177
Energy: 1.3810593105574245
Energy: 1.2884745286159824
Energy: 1.281879875064182
Energy: 1.2730195316246584
Energy: 1.290564915213016
Energy: 1.3818840386119486
Energy: 1.2881309868946087
Energy: 1.280554421719797
Energy: 1.373867057911392
Energy: 1.2886251138329043
Energy: 1.2888707594285411
Energy: 1.2887447016092175
Energy: 1.289156033101509
Energy: 1.3719052697818177
Energy: 1.2885687625148374
Energy: 1.2780005495886053
Energy: 1.2887045192193158
Energy: 1.289028066699927
Energy: 1.28864015177753
Energy: 1.2887159893698834
Energy: 1.2875585853076967
Energy: 1.2907775362777827
Energy: 1.369995815322474
Energy: 1.2889733757824242
Energy: 1.2885120651528934
Energy: 1.2877914596053897
Energy: 1.379319077819056
Energy: 1.371613970861621
Energy: 1.3771318960718695
Energy: 1.2733156233858098
Energy: 1.2770606176287802
Energy: 1.288489378195991
Energy: 1.372689906915374
Energy: 1.3778712028558913
Energy: 1.2729773484325377
Energy: 1.2790603758695382
Energy: 1.2882428833506845
Energy: 1.3708162359496376
Energy: 1.2882383185697568
Energy: 1.2807313811319752
Energy: 1.27284338536395
Energy: 1.2886362604558332
Energy: 1.2883677287965283
Energy: 1.2885766806448258
Energy: 1.2787759979384683
Energy: 1.2730698433148866
Energy: 1.2890866581998723
Energy: 1.2885233386211339
Energy: 1.2884922349928063
Energy: 1.3772970169784875
Energy: 1.289766844644424
Energy: 1.2880299369401398
Energy: 1.2799501323632536
Energy: 1.2882511107535732
Energy: 1.3794730432747402
Energy: 1.2897139749893092
Energy: 1.287457824388518
Energy: 1.2815050442522238
Energy: 1.3818851173290845
Energy: 1.2728774017709128
Energy: 1.2891876752347922
Energy: 1.2888696237696509
Energy: 1.2892101353570409
Energy: 1.291047043604632
Energy: 1.2722362740003972
Energy: 1.2893145257407301
Energy: 1.2887535318882595
Energy: 1.289123948831599
Energy: 1.2894084162299437
Energy: 1.3685998605563658
Energy: 1.2890794229616405
Energy: 1.2730105654447477
Energy: 1.281537229064445
Energy: 1.2904337375843875
Energy: 1.3678555838344963
Energy: 1.2888251606195178
Energy: 1.272305177625278
Energy: 1.2822675752652744
Energy: 1.287929052782837
Energy: 1.277892982204584
Energy: 1.2885982029533216
Energy: 1.27594868056301
Energy: 1.373487641965697
Energy: 1.2881000379887833
Energy: 1.2889779968028015
Energy: 1.2887265842451545
Energy: 1.2746262422341517
Energy: 1.2888667422110043
Energy: 1.287870388431454
Energy: 1.2877681634132214
Energy: 1.367716753185325
Energy: 1.381211243386946
Energy: 1.287615901355188
Energy: 1.2875404534599042
Energy: 1.2882564918792074
Energy: 1.3659921448452994
Energy: 1.291029969557541
Energy: 1.286550049692261
Energy: 1.273697868179284
Energy: 1.2898386876453747
Energy: 1.286170257310682
Energy: 1.3804194012321824
Energy: 1.3748858906152743
Energy: 1.2744552379583536
Energy: 1.289686800276172
Energy: 1.2717495612569725
Energy: 1.3808542215654447
Energy: 1.3734351793887776

minimum gb energy = 1.2717495612569725 eV
minimum distance =  2.60083325247446 Angstroms
sigma value = 15


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

Energy: 1.2343711253815701
Energy: 1.343440241572413
Energy: 1.398916786503536
Energy: 1.2623676706810039
Energy: 1.3604591700910975
Energy: 1.237598197047533
Energy: 1.3392863030203122
Energy: 1.3858327650357853
Energy: 1.2777757623987138
Energy: 1.2455395012956336
Energy: 1.2262384736065142
Energy: 1.3488899369104808
Energy: 1.264689422896616
Energy: 1.3115694829377527
Energy: 1.3209023982673784
Energy: 1.2346317469322323
Energy: 1.3521508947835026
Energy: 1.2638538168937041
Energy: 1.3546432362622627
Energy: 1.3054289263701666
Energy: 1.3866820465570877
Energy: 1.2830285032541107
Energy: 1.2408385666318447
Energy: 1.2919312703580301
Energy: 1.233161276230274
Energy: 1.3757525151682866
Energy: 1.304101394691752
Energy: 1.2396637409378932
Energy: 1.3046723890302443
Energy: 1.2403255524955061
Energy: 1.2451578160866925
Energy: 1.2349463958750992
Energy: 1.2996555584530793
Energy: 1.3751382987043135
Energy: 1.2332955222693953
Energy: 1.235945546354276
Energy: 1.2354124519079375
Energy: 1.3001000891023793
Energy: 1.3844530350293607
Energy: 1.2401248652677108
Energy: 1.2884683123627911
Energy: 1.3619280437242125
Energy: 1.2335123481031607
Energy: 1.239716184291677
Energy: 1.3574572925788173
Energy: 1.263510015256131
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Energy: 1.2760996267185556
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Energy: 1.3566057640005964
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Energy: 1.2381781344207987
Energy: 1.2384733902589662
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Energy: 1.4919093275704771
Energy: 1.2453390481554343
Energy: 1.2393505355491532
Energy: 1.2385136918313007
Energy: 1.4437621716624338
Energy: 1.3162330241578661
Energy: 1.2430126589707864
Energy: 1.2385827463173638
Energy: 1.2397081189348065
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Energy: 1.3975822342813065
Energy: 1.241262744113663
Energy: 1.2396613209810514
Energy: 1.238838313674607
Energy: 1.261890109016533
Energy: 1.4198234186836327
Energy: 1.3234680921418267
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Energy: 1.297778292640946
Energy: 1.2342686519902735
Energy: 1.3792740132687524
Energy: 1.2443676049339694
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Energy: 1.2825234025923684
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Energy: 1.3240679799622277
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Energy: 1.2558855867686518
Energy: 1.2419928203196393
Energy: 1.2244786023831316
Energy: 1.3241878650265024
Energy: 1.2349337274696912
Energy: 1.2394914438664135
Energy: 1.2905650160133724
Energy: 1.2500681778385305
Energy: 1.274277565972997
Energy: 1.227630064184963
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Energy: 1.3019538151219328
Energy: 1.301872234957619
Energy: 1.2322609443211692
Energy: 1.2272790359937442
Energy: 1.2311153855366999
Energy: 1.37269220226261
Energy: 1.3104701709546944
Energy: 1.2558485452516714
Energy: 1.2273806260341404
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Energy: 1.307269110064492
Energy: 1.2361557277783948
Energy: 1.278316642685017
Energy: 1.2274686218506883
Energy: 1.2532974891802666
Energy: 1.4972228387422515
Energy: 1.3067739968923127
Energy: 1.3536010403931347
Energy: 1.2277929193398749
Energy: 1.3674196404174415
Energy: 1.2521932559772249
Energy: 1.304588364652005
Energy: 1.2280932448983983
Energy: 1.2275613870776017
Energy: 1.3379383442651231
Energy: 1.3692009209656566
Energy: 1.230436830887037
Energy: 1.2404649090003013
Energy: 1.324527767659012
Energy: 1.2850919257118025
Energy: 1.3500648793217331
Energy: 1.2296693307261741
Energy: 1.2390793096240742
Energy: 1.3264555220167111
Energy: 1.3537570195271755
Energy: 1.3135735120469039
Energy: 1.2914861858027908
Energy: 1.3952121704299714
Energy: 1.2880640216528052
Energy: 1.2789082911752625
Energy: 1.307432790980244
Energy: 1.2892532062329067
Energy: 1.319988748025132
Energy: 1.2720740448550694
Energy: 1.2670200602786317
Energy: 1.2612997184986
Energy: 1.228906369005425
Energy: 1.228833449544074
Energy: 1.3886776786560537
Energy: 1.2437763839854545
Energy: 1.261532485282149
Energy: 1.2284202839463878
Energy: 1.2300505243255406
Energy: 1.2918394697080084
Energy: 1.2461013486399262
Energy: 1.4390045243036491
Energy: 1.4157734403493984
Energy: 1.228057907178104
Energy: 1.2862146636939693
Energy: 1.2608993555746337
Energy: 1.4564733301371158
Energy: 1.416789977626513
Energy: 1.2281735232799857
Energy: 1.2834827887049283
Energy: 1.2624419914186447
Energy: 1.2307472387784728
Energy: 1.2732513732641673
Energy: 1.3382343321953858
Energy: 1.2789690709472028
Energy: 1.3286730589591143
Energy: 1.2323310080288494
Energy: 1.2726289628580663
Energy: 1.2691306957646316
Energy: 1.2785574792974121
Energy: 1.2340874231431096
Energy: 1.4384478462595656
Energy: 1.455796902322902
Energy: 1.2258115356115196
Energy: 1.3067163733491365
Energy: 1.2459782955851293
Energy: 1.45564829398289
Energy: 1.4366015686264435
Energy: 1.2608938589141432
Energy: 1.3022774509376362
Energy: 1.243867910639864
Energy: 1.2403546958381213
Energy: 1.2693566433575312
Energy: 1.2527928955021885
Energy: 1.2404929842224355
Energy: 1.250134695724837
Energy: 1.2402061712794312
Energy: 1.247010298243786
Energy: 1.2469987216866805
Energy: 1.2400293514019993
Energy: 1.2513250092870492
Energy: 1.2759445604618425
Energy: 1.271689384874474
Energy: 1.2959922050742998
Energy: 1.2423502363074872
Energy: 1.2437729946638476
Energy: 1.2373360491756433
Energy: 1.326590220720214
Energy: 1.3034381274243931
Energy: 1.2416154254298888
Energy: 1.2444940192630427
Energy: 1.3894134668349785
Energy: 1.281187085938499
Energy: 1.245385987252166
Energy: 1.2504512715775973
Energy: 1.3021328938189796
Energy: 1.371247196212369
Energy: 1.2341600700563669
Energy: 1.2482906482776497
Energy: 1.224397702445278
Energy: 1.3105424922426754
Energy: 1.239187359718335
Energy: 1.2220272592069992
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Energy: 1.2243701824869984
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Energy: 1.3627295356841638
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Energy: 1.2411354317624688
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Energy: 1.3220512229243677
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Energy: 1.2807931631351335
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Energy: 1.2353410251142483
Energy: 1.2796766831640203
Energy: 1.3037022908496991
Energy: 1.2240399836281137
Energy: 1.232998222365928
Energy: 1.2516411722278118
Energy: 1.2310052545626007
Energy: 1.3045932497429897
Energy: 1.224068176111618
Energy: 1.2320844106534041
Energy: 1.2509651624889466
Energy: 1.2311128705741323
Energy: 1.350060947270212
Energy: 1.2884925567247063
Energy: 1.2668919615318637
Energy: 1.272687179724052
Energy: 1.2302319676127345
Energy: 1.337624673617075
Energy: 1.2580504499933356
Energy: 1.2674598596666817
Energy: 1.27337423115331
Energy: 1.230268723393836
Energy: 1.4319353467145515
Energy: 1.3196662419202978
Energy: 1.2462730450178605
Energy: 1.2278197187307038
Energy: 1.273470307083888
Energy: 1.4287212972693357
Energy: 1.3459089637922943
Energy: 1.2276540170229486
Energy: 1.25224830940078
Energy: 1.3064762899183493
Energy: 1.3389971980025916
Energy: 1.2434280471514831
Energy: 1.2387627797337861
Energy: 1.3014049886054633
Energy: 1.3160045559224525
Energy: 1.3510210988367828
Energy: 1.2285286413489473
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Energy: 1.3243405638318964
Energy: 1.2878061401166117
Energy: 1.237714170706886
Energy: 1.3064231063591074
Energy: 1.3257217426953634
Energy: 1.2388150254760089
Energy: 1.2674847240602023
Energy: 1.2372512959176514
Energy: 1.280444819336425
Energy: 1.2834915353591283
Energy: 1.2390665928352091
Energy: 1.2668111779497022
Energy: 1.2615204586442572
Energy: 1.290847814763423
Energy: 1.2283506555026378
Energy: 1.2893609593766784
Energy: 1.2806705591424148
Energy: 1.261489716850108
Energy: 1.2288419414669514
Energy: 1.2292663434894697
Energy: 1.2435379946114125
Energy: 1.2868245955618574
Energy: 1.475294577426821
Energy: 1.3966404394904988
Energy: 1.2790996116193518
Energy: 1.4175146411614077
Energy: 1.275560997054384
Energy: 1.4164084625596485
Energy: 1.4536095582439696
Energy: 1.2781980443716652
Energy: 1.393379856549011
Energy: 1.265837401181086
Energy: 1.2325813288040717
Energy: 1.3726448261487645
Energy: 1.3729489164939424
Energy: 1.2816209411450312
Energy: 1.3251472509594457
Energy: 1.2315258199447692
Energy: 1.3358885987196845
Energy: 1.3739053100828746
Energy: 1.2904684802001725
Energy: 1.2325564437541876
Energy: 1.4234802686592265
Energy: 1.434470537274319
Energy: 1.482504086366721
Energy: 1.256175005239786
Energy: 1.242470240234172
Energy: 1.4029706694791513
Energy: 1.4709569879212658
Energy: 1.4712823902112435
Energy: 1.2451414888353662
Energy: 1.240874867447266
Energy: 1.2379674747824783
Energy: 1.2609994220405958
Energy: 1.282150950829128
Energy: 1.2377272859936974
Energy: 1.2451569422437798
Energy: 1.2370631110000467
Energy: 1.2752300752333057
Energy: 1.2481765866380927
Energy: 1.2378549831718821
Energy: 1.2456919521899221
Energy: 1.2531457400362456
Energy: 1.2379545992394012
Energy: 1.3160596487484815
Energy: 1.2390535433567005
Energy: 1.2414095505442106
Energy: 1.3037852494640545
Energy: 1.2364023829216702
Energy: 1.3002008056258765
Energy: 1.2383032747770104
Energy: 1.2421900022317434
Energy: 1.326787793983976
Energy: 1.2340902090410613
Energy: 1.2402362217702865
Energy: 1.3011739942261207
Energy: 1.3307828326822329
Energy: 1.3198150123996786
Energy: 1.2344995986332015
Energy: 1.2457907754158963
Energy: 1.3373625438641914
Energy: 1.3276214405066704
Energy: 1.2437288492536194
Energy: 1.2412550991429103
Energy: 1.3175843845284096
Energy: 1.4887177964238216
Energy: 1.2441041808106723
Energy: 1.234808384202638
Energy: 1.2341579559241536
Energy: 1.3246738716974102
Energy: 1.489614291339849
Energy: 1.2469628896106342
Energy: 1.2501464260359723
Energy: 1.242348727472737
Energy: 1.24596294361085
Energy: 1.2372322598782803
Energy: 1.2324317658429365
Energy: 1.2377634462534879
Energy: 1.2557083919931114
Energy: 1.237749824025322
Energy: 1.2379121081357627
Energy: 1.23974237484786
Energy: 1.2443614297972707
Energy: 1.2344493419977527
Energy: 1.251046163662347
Energy: 1.4707150745341526
Energy: 1.3320025692644366
Energy: 1.2379838570260777
Energy: 1.288171177745416
Energy: 1.2515395786796701
Energy: 1.3415574146451799
Energy: 1.3479631712789186
Energy: 1.2918621504267682
Energy: 1.320212469383782
Energy: 1.2977141583303566
Energy: 1.2697239112600847
Energy: 1.222374735752641
Energy: 1.2636488442801088
Energy: 1.3688964741214444
Energy: 1.2387741807401118
Energy: 1.2698292363851966
Energy: 1.2246357442845264

minimum gb energy = 1.2188807823405055 eV
minimum distance =  2.56947112067994 Angstroms
sigma value = 437


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

Energy: 1.7787560025625375
Energy: 1.1132567303644336
Energy: 1.1586836988491134
Energy: 1.2721867460431258
Energy: 1.1155402497042064
Energy: 1.2353819610336645
Energy: 1.1906006012918386
Energy: 1.1593466092924145
Energy: 1.113284013960225
Energy: 1.243721167912667
Energy: 1.105705176102141
Energy: 1.3070663799011712
Energy: 1.1097701245951128
Energy: 1.3870835829823644
Energy: 1.1137700240171025
Energy: 1.1113348111946943
Energy: 1.3118179598521513
Energy: 1.1106299735711032
Energy: 1.3068161002119507
Energy: 1.1144002315157127
Energy: 1.249841597709147
Energy: 1.2658452711645545
Energy: 1.1745309365113976
Energy: 1.158799375032131
Energy: 1.113353635608788
Energy: 1.2467634853079386
Energy: 1.2672125427975829
Energy: 1.1739263686072805
Energy: 1.1600608300904705
Energy: 1.112778469745927
Energy: 1.1615333476094798
Energy: 1.116405604679793
Energy: 1.3199174068722137
Energy: 1.2465497701319197
Energy: 1.111079381859186
Energy: 1.1624047149991086
Energy: 1.1583803289177612
Energy: 1.3173330049208238
Energy: 1.2467051487991603
Energy: 1.1731241457163413
Energy: 1.1120242695192728
Energy: 1.188329776311647
Energy: 1.1244180705544013
Energy: 1.15705264617658
Energy: 1.2389277523160869
Energy: 1.1294778820414522
Energy: 1.1888204389872223
Energy: 1.1247343910916747
Energy: 1.1290616548484838
Energy: 1.2376491105408374
Energy: 1.1926962422214071
Energy: 1.1152891963635054
Energy: 1.1741500923835044
Energy: 1.1296191261691724
Energy: 1.2350287572207803
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Energy: 1.1155626157842229
Energy: 1.1112105599476485
Energy: 1.1301725889103327
Energy: 1.2357776160913372
Energy: 1.2498181783031326
Energy: 1.2471486204323041
Energy: 1.2469256142495484
Energy: 1.1574440632058574
Energy: 1.1722385888098443
Energy: 1.2485154392514672
Energy: 1.246255430187502
Energy: 1.2463702190208323
Energy: 1.159516207958115
Energy: 1.1735035317054023
Energy: 1.2608888675464136
Energy: 1.1115828242084624
Energy: 1.1153059774617355
Energy: 1.1580878977869578
Energy: 1.3058064186069005
Energy: 1.2657476581394496
Energy: 1.1103033739676018
Energy: 1.1152098477494965
Energy: 1.1580478276776636
Energy: 1.3088167130024744
Energy: 1.1612387133672717
Energy: 1.3177950550776807
Energy: 1.1911823086491558
Energy: 1.1110098251035825
Energy: 1.1608382883956332
Energy: 1.159825858918834
Energy: 1.320010566694537
Energy: 1.1907665095229236
Energy: 1.1757101252035287
Energy: 1.159156806805662
Energy: 1.196988627323123
Energy: 1.2583701784494208
Energy: 1.110698264281592
Energy: 1.3931684903085817
Energy: 1.1900689271112905
Energy: 1.1298357839664008
Energy: 1.1222865339729697
Energy: 1.1112630376202015
Energy: 1.3910952170859947
Energy: 1.1901714493667017
Energy: 1.113186391116394
Energy: 1.1112364970648343
Energy: 1.1912654603836867
Energy: 1.2355407416058934
Energy: 1.11713870557666
Energy: 1.1110205738979302
Energy: 1.1109452224791254
Energy: 1.1917128830321941
Energy: 1.2368412880778192
Energy: 1.116334395071227
Energy: 1.1149095825460535
Energy: 1.1097894223496736
Energy: 1.1101042193700612
Energy: 1.2772071957349815
Energy: 1.11319992146487
Energy: 1.111049002982614
Energy: 1.109267079696362
Energy: 1.1098041928461182
Energy: 1.3160538714833594
Energy: 1.112269847656392
Energy: 1.1119294254741923
Energy: 1.1162136532051234
Energy: 1.1549593291493732
Energy: 1.3106805962111183
Energy: 1.1936474230784646
Energy: 1.1140688971121915
Energy: 1.115294040940421
Energy: 1.1750276566252587
Energy: 1.3102453698102525
Energy: 1.1123709875581909
Energy: 1.1141120049331075
Energy: 1.1949259544586013
Energy: 1.4325399983532736
Energy: 1.1110486388821799
Energy: 1.1156117040878641
Energy: 1.38459069203589
Energy: 1.1936381730373968
Energy: 1.2666379989968275
Energy: 1.111874307714979
Energy: 1.1911654515001522

minimum gb energy = 1.105705176102141 eV
minimum distance =  2.6443112328528 Angstroms
sigma value = 33