Model name: model_name=EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8733648657798767
cohesive_energy=3.5548447438664135
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3086578746511998e-19, 1.6615372782896999e-19, 2.04399286259184e-19, 2.45967759028314e-19, 2.8642111686018e-19, 3.2228103428236796e-19, 3.5422843636432802e-19, 3.8301314177077195e-19, 4.0893796188552596e-19, 4.3240023651382196e-19, 4.53701174862852e-19, 4.728648095821259e-19, 4.8992158202769e-19, 5.04961214091048e-19, 5.18121492962724e-19, 5.295353993033399e-19, 5.39311881124008e-19, 5.4753585378633e-19, 5.5428902829864e-19, 5.597380310308739e-19, 5.63983799110974e-19, 5.67039149952012e-19, 5.68886459611014e-19, 5.69504899791738e-19, 5.688159638391179e-19, 5.66555292608544e-19, 5.624008485965819e-19, 5.560065616502879e-19, 5.46981500670966e-19, 5.348674431412919e-19, 5.19111638122536e-19, 4.99033160545248e-19, 4.736883283720019e-19, 4.4176816329282e-19, 4.0180026498105593e-19, 3.52506096482778e-19, 2.9055152822263196e-19, 2.1147930480482998e-19, 1.0852022995072199e-19, -2.61385504777296e-20, -2.0323450384626597e-19, -4.371298619373899e-19, -7.462554238779839e-19, -1.1548296916675919e-18, -1.6956155752948798e-18, -2.41204487895432e-18, -3.3670222616500198e-18, -4.65828049805598e-18, -6.446870383421879e-18, -8.95509392571522e-18, -1.245322230132546e-17, -1.73701581951744e-17, -2.3881564253413797e-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: -0.358415833 eV

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

Energy: 0.013511761284995214
Energy: 0.019207275684561712
Energy: 0.12600738851060145
Energy: 0.1269495543942648
Energy: 0.01827847104266266
Energy: 0.015066813342122475
Energy: 0.12446418734734715
Energy: 0.125684057545543
Energy: 0.1265870702911169
Energy: 0.017328844789866734
Energy: 0.014076349529186584
Energy: 0.1246998890541342
Energy: 0.12476248109040568
Energy: 0.12600096539903788
Energy: 0.12689335716112596
Energy: 0.12514611711048476
Energy: 0.12458829566594784
Energy: 0.12450248589285481
Energy: 0.12617808275292153
Energy: 0.12629429928624367
Energy: 0.12427538199663937
Energy: 0.014009064881232325
Energy: 0.01403609461928902
Energy: 0.12496320991898544
Energy: 0.1256759403853173
Energy: 0.12448785374237895
Energy: 0.01687276307647598
Energy: 0.013836538526738254
Energy: 0.12477518846594346
Energy: 0.12693417363061163
Energy: 0.12577308978030616
Energy: 0.015189381466493016
Energy: 0.014899094241312508
Energy: 0.1245879651711626
Energy: 0.12529548185791817
Energy: 0.12634281063808916
Energy: 0.014831580226340664
Energy: 0.014203398897865697
Energy: 0.12409364350502998
Energy: 0.12503968757797268
Energy: 0.12549708087744285
Energy: 0.12617674695747674
Energy: 0.12454528141449904
Energy: 0.015494062701791166
Energy: 0.014340384067463092
Energy: 0.12489296199126855
Energy: 0.12677130513653234
Energy: 0.12587028900733976
Energy: 0.01645613069563165
Energy: 0.1242600304589023
Energy: 0.12427642967122153
Energy: 0.12484975855683067
Energy: 0.12578687207663233
Energy: 0.01477167733765559
Energy: 0.01405216985101889
Energy: 0.12435491075530157
Energy: 0.12459468591442018
Energy: 0.1262488194058092
Energy: 0.015375489388411167
Energy: 0.01412009453630479
Energy: 0.01413116314470688
Energy: 0.12450763016688059
Energy: 0.1253385010957278
Energy: 0.12578019454045125
Energy: 0.1248262601559809
Energy: 0.014069073783317669
Energy: 0.12465518786981267
Energy: 0.1250091113108071
Energy: 0.12616111396914442
Energy: 0.1263626924064633

minimum gb energy = 0.013511761284995214 eV
minimum distance =  2.70331781008295 Angstroms
sigma value = 3


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

Energy: 1.464766806878121
Energy: 0.9362703649894
Energy: 0.9483568992724654
Energy: 0.9275118016807175
Energy: 0.9250374616112341
Energy: 1.035407516631508
Energy: 0.9249709981884439
Energy: 0.946913242466656
Energy: 0.9467058184357263
Energy: 0.9350274690551927
Energy: 0.8976157917596697
Energy: 1.0940680851206641
Energy: 0.9492849729738548
Energy: 0.8193996743444449
Energy: 0.9086744422601434
Energy: 0.8709204825833385
Energy: 1.0772672404805523
Energy: 0.9432677901668681
Energy: 0.8418281575827835
Energy: 0.9106800118936369
Energy: 0.9546673864291761
Energy: 1.0426232247723466
Energy: 0.8101194060606604
Energy: 0.9508800459694214
Energy: 0.9229160635026854
Energy: 0.8737075943744531
Energy: 1.0439977120615453
Energy: 0.8112448299601764
Energy: 0.9429360301004366
Energy: 0.9918417205932003
Energy: 0.9402934419818003
Energy: 0.9800919249125906
Energy: 1.0597009946851605
Energy: 0.8733366548229209
Energy: 0.8756981083883602
Energy: 0.8731656395744073
Energy: 0.9474862108811539
Energy: 1.0639895024463877
Energy: 0.9256583291792507
Energy: 0.9153797522339101
Energy: 1.1081357330018677
Energy: 0.9366378013240773
Energy: 1.0398705713724414
Energy: 0.9116683219890411
Energy: 0.9018094667074004
Energy: 1.0936775918119568
Energy: 0.9359540433106002
Energy: 1.0757210209880825
Energy: 1.0755178438180661
Energy: 1.0620559034690793
Energy: 0.9395169510679562
Energy: 0.938430804106004
Energy: 1.0635714285674531
Energy: 0.9004912479486775
Energy: 1.0557042132121885
Energy: 0.9384373182852115
Energy: 1.0167383399217351
Energy: 1.036945034785837
Energy: 0.9012358728661071
Energy: 1.0371963088560983
Energy: 0.9842499176183964
Energy: 1.0140802379533367
Energy: 1.082053354652011
Energy: 0.9023072217272046
Energy: 0.9933559996443923
Energy: 0.9663254291198876
Energy: 0.9891811078670162
Energy: 1.0872696134935662
Energy: 0.9037704427993197
Energy: 0.991734046041716
Energy: 1.0170857362196473
Energy: 0.9732269222827844
Energy: 1.0527380092999665
Energy: 0.9820186762587932
Energy: 0.9750103289400603
Energy: 1.0104696979771866
Energy: 0.9621646454393338
Energy: 1.0535683944871055
Energy: 0.9612969500272056
Energy: 0.9757259442821763
Energy: 0.9896174941405007
Energy: 0.8690109428243249
Energy: 0.9029732254974431
Energy: 1.120530259068774
Energy: 0.9682484950690435
Energy: 0.9862083397046619
Energy: 0.8526254106516313
Energy: 0.9035109521382416
Energy: 1.1081455802569482
Energy: 0.9603119649622822
Energy: 0.8010074056445525
Energy: 0.9103091077951263
Energy: 0.9002008851260137
Energy: 0.936815769052813
Energy: 0.9346423213953089
Energy: 0.9356609535943805
Energy: 0.9143350327612852
Energy: 0.9015131108039257
Energy: 0.9417698014550022
Energy: 0.7988043175122961
Energy: 1.0605340512693904
Energy: 0.9044554338706231
Energy: 0.9099585258944849
Energy: 0.9347507350584274
Energy: 0.798575846652829
Energy: 0.9559239299836406
Energy: 0.9026299618661583
Energy: 0.9135471578528429
Energy: 0.9387882559371716
Energy: 0.7973042391805966
Energy: 1.0648314035594078
Energy: 0.9023481310045713
Energy: 0.9210810119195204
Energy: 1.0658137104260534
Energy: 0.9595014550341103
Energy: 1.0882742712762097
Energy: 0.9014185946765038
Energy: 0.9114953223615548
Energy: 0.9915434451735835
Energy: 0.9594822395157281
Energy: 0.9038853648408477
Energy: 0.9146504082691355
Energy: 1.061877046966485
Energy: 0.931941263116054
Energy: 1.0481321743299246
Energy: 0.9054182725552936
Energy: 0.9060011672996745
Energy: 1.0620758171635056
Energy: 0.938034847824944
Energy: 1.0553649560598484
Energy: 0.9027601118557644
Energy: 0.9265286879553016
Energy: 0.987074933062083
Energy: 0.968550170265915
Energy: 1.0623486180880053
Energy: 0.9022439840628345
Energy: 0.9105683584428209
Energy: 0.9855675528340408
Energy: 0.9698658477437745
Energy: 1.0636065728475863
Energy: 0.9642687386137502
Energy: 0.990952078598847
Energy: 0.9678238948323998
Energy: 0.9655424526704839
Energy: 0.971379599575412
Energy: 0.9677263353600803
Energy: 0.9648872049607392
Energy: 0.9662218744310616
Energy: 0.9669046188483272
Energy: 0.98362263916649
Energy: 0.9035576589012024
Energy: 1.057099553925806
Energy: 0.9652047883827336
Energy: 0.9925208577898336
Energy: 0.9122345889920075
Energy: 0.949410866268175
Energy: 0.9614171391705385
Energy: 0.9667879105651754
Energy: 0.9966228631529076
Energy: 0.9116883532304583
Energy: 0.9026302702400324
Energy: 1.1107477233003902
Energy: 0.8060605921837343
Energy: 0.9132685568260931
Energy: 0.9318038737088808
Energy: 0.912966412198054
Energy: 1.0465433477911465
Energy: 0.8092629236607342
Energy: 0.9126200948889863
Energy: 0.9036424679941482
Energy: 0.9247745568283667
Energy: 0.8155669854981222
Energy: 1.0238180324055397
Energy: 0.9031117244389689
Energy: 0.9046779752568573
Energy: 0.9133784570436344
Energy: 0.8086774886941415
Energy: 1.0255000151006683
Energy: 0.9028281056887054
Energy: 0.9504801494489034
Energy: 1.0763894623652441
Energy: 0.970065709564821
Energy: 1.0622608926894646
Energy: 1.0759497212058373
Energy: 0.9042396468102154
Energy: 1.0715220489216637
Energy: 0.9679308284117167
Energy: 1.06074790435383
Energy: 0.9122965497180938
Energy: 1.0630992327038769
Energy: 1.0523229560986527
Energy: 1.0472767148183877
Energy: 1.0519824259849673
Energy: 0.9009233235998555
Energy: 1.0505388204545867
Energy: 1.0594036921704864
Energy: 1.0467243596136697
Energy: 1.0523356313052457
Energy: 1.0255799523273699
Energy: 1.0595383197091828
Energy: 0.9859964858828402
Energy: 0.9865425876448134
Energy: 1.0930351457180985
Energy: 0.9021947029762306
Energy: 0.9822139853038558
Energy: 1.042151219734308
Energy: 0.9855117741175452
Energy: 1.105051745362469
Energy: 0.9027164253063424
Energy: 0.9876774347959946
Energy: 1.0374497950781378
Energy: 0.9759475461558228
Energy: 1.0383937353073844
Energy: 0.8918573173441475
Energy: 0.9630516887081237
Energy: 0.9648948123109866
Energy: 0.9632742323631772
Energy: 0.9148685636800553
Energy: 0.8962672870061053
Energy: 0.9695851647234184
Energy: 0.9868899766032688
Energy: 0.8509362680000989
Energy: 0.904266833768608
Energy: 1.111769005274469
Energy: 0.9641996400441738
Energy: 0.9856303061320086
Energy: 0.8514767790814346
Energy: 0.9039644711932199
Energy: 1.098404478174247
Energy: 0.9674144879448443
Energy: 0.906873251435887
Energy: 0.9167154876224122
Energy: 0.9008296892208028
Energy: 0.9413380064868875
Energy: 0.7987818301070212
Energy: 0.8464160355490841
Energy: 0.9143066362997402
Energy: 0.9010952168524013
Energy: 0.9364687091858159
Energy: 0.7981176589653876
Energy: 1.054205036684245
Energy: 0.9046105579745337
Energy: 0.9022564358271169
Energy: 0.920202641946298
Energy: 0.7989608229990219
Energy: 0.9368795210987867
Energy: 0.9026280934688259
Energy: 0.9034245855374456
Energy: 0.9581854136079669
Energy: 0.7980649799807349
Energy: 1.1156596187600094
Energy: 0.9010320601473105
Energy: 0.9083993549250048
Energy: 0.9503440814655274
Energy: 0.9386383187399847
Energy: 1.1296089284953421
Energy: 0.8726784561015429
Energy: 0.9194858041033749
Energy: 1.101858539872344
Energy: 0.9451166814101449
Energy: 1.036125086687812
Energy: 1.0246941986679898
Energy: 1.0624461416486046
Energy: 1.0475368288139117
Energy: 1.0538068982717668
Energy: 0.8762445172695157
Energy: 0.9575819839180909
Energy: 1.005479989237162
Energy: 1.047887850355158
Energy: 1.0544934847396423
Energy: 0.9084797809547552
Energy: 0.9036601829934853
Energy: 0.9691012885167289
Energy: 0.9263891932899837
Energy: 1.1029794706571325
Energy: 0.8704712314817792
Energy: 0.9008089829468128
Energy: 0.9726051983069124
Energy: 0.9269245739666083
Energy: 1.0720104311800611
Energy: 0.9331814735999487
Energy: 0.9255056528431643
Energy: 0.9456605629419188
Energy: 0.9263297598612412
Energy: 0.9253377387865345
Energy: 0.9284973573822439
Energy: 0.9251604656736578
Energy: 0.9437165128163871
Energy: 0.9248823325986324
Energy: 1.058436798811227

minimum gb energy = 0.7973042391805966 eV
minimum distance =  2.4316791783069 Angstroms
sigma value = 75


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

Energy: 1.6494616657303967
Energy: 1.1277875761804068
Energy: 0.9662134453330534
Energy: 1.0912019852155148
Energy: 1.1287696905383022
Energy: 1.0751920802115287
Energy: 1.1540127551720836
Energy: 0.9714104674557865
Energy: 1.1064287019492152
Energy: 1.1186253405664972
Energy: 0.9514064838547699
Energy: 0.946365270069955
Energy: 0.9699739353417146
Energy: 0.9958487151177998
Energy: 0.9282715774043899
Energy: 0.9512282098114822
Energy: 0.8754506289744457
Energy: 0.9652519536199731
Energy: 0.9833269551186681
Energy: 0.9475266550885658
Energy: 1.0081668283114267
Energy: 0.970256413455385
Energy: 0.9568229941520502
Energy: 0.9830298189297079
Energy: 0.9485951671687983
Energy: 0.9649472249702309
Energy: 1.0950130421150184
Energy: 0.9574460300896623
Energy: 0.9864988763795772
Energy: 0.9481554586470721
Energy: 0.9697045679281416
Energy: 0.9513673896650992
Energy: 0.9235234954347904
Energy: 0.9599780764391274
Energy: 0.9503853302413213
Energy: 0.9551958329562996
Energy: 0.9079659717038939
Energy: 0.879401563418373
Energy: 0.9861673631488268
Energy: 0.9501532885791875
Energy: 0.9842645289322678
Energy: 0.8826531626393199
Energy: 0.903550996153911
Energy: 1.150171814077464
Energy: 0.8947234994273505
Energy: 0.9590891137947313
Energy: 0.8680570930995585
Energy: 0.8779462007674373
Energy: 1.1533869090479323
Energy: 0.9894345241277288
Energy: 0.9597917083875607
Energy: 1.0791102139619542
Energy: 1.1685702342856186
Energy: 1.006802770555087
Energy: 1.0109967064259242
Energy: 0.9601093557576718
Energy: 1.0892432624080643
Energy: 0.9957630079197798
Energy: 1.0052318529271767
Energy: 1.0112852139474404
Energy: 0.9306840695251286
Energy: 0.9833269583001686
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Energy: 0.9303850824201193
Energy: 1.0214572790211691
Energy: 0.9064908690407092
Energy: 1.0063893251370042
Energy: 0.9130801297040048
Energy: 1.0098782439813556
Energy: 0.903814048563119
Energy: 0.9496552203643608
Energy: 0.9992102094035087
Energy: 1.1441880565787712
Energy: 1.1408953509923778
Energy: 0.9528436664428735
Energy: 0.9500201748732986
Energy: 0.9746094093968449
Energy: 0.9808359454624851
Energy: 1.1407068411244015
Energy: 0.9329233533372092
Energy: 0.9496248117103139
Energy: 0.8907656968057129
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Energy: 0.9569970546963635
Energy: 0.9640245688215324
Energy: 0.9504500700185236
Energy: 0.9171808566507537
Energy: 0.9153854963860143
Energy: 0.8759032173453156
Energy: 1.0037066050800154
Energy: 0.9494511814888082
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Energy: 0.884373301542702
Energy: 1.1895168181499518
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Energy: 0.9677068444967256
Energy: 0.9209499176952216
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Energy: 1.009996399458827
Energy: 1.0277989619538557
Energy: 1.0294732405711122
Energy: 0.8841836542005843
Energy: 1.0875467887267098
Energy: 0.9916195177815111
Energy: 1.019260258912273
Energy: 1.0292236512753947
Energy: 0.9109860553721743
Energy: 1.0883187449283995
Energy: 0.9321476341758391
Energy: 1.0187399920292128
Energy: 1.026344496202822
Energy: 0.9644034711680639
Energy: 0.9745051370036325
Energy: 0.8882223608715916
Energy: 0.9761172651059677
Energy: 1.0238895791205678
Energy: 0.9127729507137842
Energy: 0.9279879053728392
Energy: 0.9123814675098252
Energy: 1.0337843009294518
Energy: 0.9335392263022211
Energy: 0.9520125351263246
Energy: 1.0119124990901416
Energy: 0.9561843879183591
Energy: 0.9958492288061881
Energy: 0.9450142133268611
Energy: 0.951066654316482
Energy: 1.0164151973745053
Energy: 0.9558996700513966
Energy: 0.9829820539476859
Energy: 0.9876036001145448
Energy: 0.9154844570205115
Energy: 0.9467474890093475
Energy: 0.9299470395017078
Energy: 0.9383981935614858
Energy: 1.0347454881001683
Energy: 0.8890165603825577
Energy: 0.9103210444470387
Energy: 0.9378378491488397
Energy: 0.9897744048630737
Energy: 1.152365218484427
Energy: 0.9934175884756438
Energy: 1.0888053235103607
Energy: 0.8993315865472189
Energy: 1.1991529663705456
Energy: 1.0174715876528653
Energy: 1.0144924378074067
Energy: 1.096012576429477
Energy: 0.8704506616949037
Energy: 1.1924143761154395
Energy: 1.0371554963311589
Energy: 1.0419050271405499
Energy: 0.8999325200673461
Energy: 1.0874228504856671
Energy: 0.9986870796912581
Energy: 1.1424878306278068
Energy: 1.01371070286654
Energy: 0.8690302099972541
Energy: 0.8676424745291015
Energy: 1.0124553944048789
Energy: 0.999503133464062
Energy: 0.9270592258542066
Energy: 0.9047663484531695
Energy: 1.0040605881406433
Energy: 0.959037738914332
Energy: 1.0106788561208204
Energy: 0.951581269113874
Energy: 0.9246886295113306
Energy: 0.9350291140324051
Energy: 0.9583786615696407
Energy: 0.992200094821793
Energy: 0.9529599539988616
Energy: 0.9519766190651244
Energy: 1.0154700428483414
Energy: 0.956843046728847
Energy: 0.9532800467709754
Energy: 0.9524893061276518
Energy: 0.9536282535584036
Energy: 0.9828258238533764
Energy: 0.9572106327904316
Energy: 0.8996346731165138
Energy: 1.0189528282103446
Energy: 0.9109852915179275
Energy: 0.9824691053010967
Energy: 0.9186376459538292
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minimum gb energy = 0.8505197747766471 eV
minimum distance =  2.41534081162695 Angstroms
sigma value = 105


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

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Energy: 0.9770325311584566
Energy: 0.9594374918874756
Energy: 1.013988242251541
Energy: 1.007533250985088
Energy: 0.9554103118600306
Energy: 1.0181690592627963
Energy: 1.0238699132354774
Energy: 1.0165616036378917
Energy: 1.0076560634487306
Energy: 0.9553924055780173
Energy: 1.018419732313051
Energy: 1.1266558405996692
Energy: 1.0026006360844755
Energy: 0.9683555194884021
Energy: 0.9713018080369664
Energy: 0.9839719826743717
Energy: 1.0198100075816479
Energy: 0.9991287307269492
Energy: 0.9688399107206236
Energy: 0.971844326263213
Energy: 0.9993172166566316
Energy: 1.0620034189661567
Energy: 0.9986926943057641
Energy: 0.9899364348687986
Energy: 0.991411070215895
Energy: 0.9815728445621547
Energy: 1.0156389296054957
Energy: 0.9975945107867331
Energy: 0.987880122398565
Energy: 1.0521986297965091
Energy: 0.981556030670435
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Energy: 1.0217421134848241
Energy: 0.9792013251809086
Energy: 0.9840930030851923
Energy: 0.9509458457181927
Energy: 1.0340085166782578
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Energy: 0.9842469140296389
Energy: 0.9504453788860662
Energy: 1.0431720349320621
Energy: 0.974663650664428
Energy: 0.9963210477849582
Energy: 0.9952090683846528
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Energy: 1.0181967930506435
Energy: 0.9745030858294557
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Energy: 0.9969654555773405
Energy: 0.9945763265033533
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Energy: 1.0076346365669404
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Energy: 0.9929429084346918
Energy: 1.015542799513967
Energy: 0.9937871578899894
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Energy: 0.998416239339035
Energy: 0.9968114221674589
Energy: 0.9977613259304142
Energy: 0.9556287442826629
Energy: 1.0074877484315483
Energy: 1.007428662470836
Energy: 0.995847459364661
Energy: 0.9980825443969383
Energy: 0.9552250263297625
Energy: 0.9551993636441254
Energy: 0.9419676248353304
Energy: 1.0033209185613101
Energy: 1.0047407600902416
Energy: 0.9702940841305085
Energy: 1.0273038841455273
Energy: 1.0414967944159532
Energy: 1.0059998580778264
Energy: 1.0047972766515383
Energy: 0.97154380916917
Energy: 1.0468486317859609
Energy: 0.9703110908150605
Energy: 1.0449596117750348
Energy: 1.0130276225974484
Energy: 1.053737189086915
Energy: 1.037207909422937
Energy: 0.9703139026494957
Energy: 1.0652239558584824
Energy: 1.0964817490341612
Energy: 1.0355088771611822
Energy: 1.0280758683008449
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Energy: 0.9698399948251537
Energy: 0.9702179998301406
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Energy: 1.0147084990660662
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Energy: 0.9686541508891104
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Energy: 1.0081472396294986
Energy: 0.9850757613778008
Energy: 0.9641198231263561
Energy: 0.9838413381812043
Energy: 0.9866244864144194
Energy: 1.0102078387129396
Energy: 1.0025772268686561
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Energy: 1.0111249837022425
Energy: 1.0033049712329476
Energy: 0.9655883334523104
Energy: 0.966923437365111
Energy: 0.96888457072822
Energy: 0.9246106804898744
Energy: 0.9431210037314923
Energy: 0.9661565233481632
Energy: 0.9684719518320974
Energy: 0.9692085918635794
Energy: 0.9242909543214474
Energy: 0.9568851130302404
Energy: 1.0180227514516418
Energy: 0.9682813427626751
Energy: 0.997657407205532
Energy: 0.9430736524106671
Energy: 0.9843260618324482
Energy: 0.9916841863975672
Energy: 0.9684724417226691
Energy: 0.9980578888128311
Energy: 0.959193061147873
Energy: 0.9723845980380214
Energy: 1.0169533459459663
Energy: 0.9720177276123138
Energy: 1.059583686962684
Energy: 0.9978809603422191
Energy: 0.9676300197964363
Energy: 0.9878974640069421
Energy: 0.9819137869483433
Energy: 1.0560269132505884
Energy: 1.031152462414877
Energy: 0.9672951497563921
Energy: 1.023454107985034
Energy: 0.9573650429486066
Energy: 0.9437973287572833
Energy: 1.00519233407462
Energy: 0.9698942806675694
Energy: 0.9584269387550227
Energy: 0.9571389902998381
Energy: 0.9430256586762058
Energy: 0.9775682826152052
Energy: 0.9983238198117171
Energy: 0.9819743010495885
Energy: 0.9556887614585033
Energy: 0.9561527582146058
Energy: 0.9510658701638902
Energy: 1.008018782950716
Energy: 0.9818963095281487
Energy: 0.9565031999720455
Energy: 0.9612705751866757
Energy: 0.9508513928528584
Energy: 0.9944696858058913
Energy: 0.9995071627530288
Energy: 0.958301774866853
Energy: 0.9562383307967076
Energy: 0.9569783483285329
Energy: 0.9746121116906191
Energy: 1.0047625252390193
Energy: 0.9610079232643745
Energy: 0.9561412858537164
Energy: 0.9572311633944354
Energy: 1.0044741878736
Energy: 1.0425136030929252
Energy: 0.9826245730282721
Energy: 0.9798087900226455
Energy: 1.00854791100037
Energy: 0.9983322743115033
Energy: 1.012608429971763
Energy: 0.9939517489891386
Energy: 0.9672726064629434
Energy: 1.0095498987667595
Energy: 1.0032461167361193
Energy: 0.9890478175365761
Energy: 1.058934491796697
Energy: 0.9994775931360108
Energy: 0.9347610510444054
Energy: 0.9634098691642445
Energy: 0.9855837160601074
Energy: 1.0566176344391316
Energy: 1.0008918233859907
Energy: 0.9362586826551221
Energy: 1.0590937825647004
Energy: 0.9395747852628207
Energy: 0.9984876330988665
Energy: 0.9985160955428918
Energy: 0.9892018139344395
Energy: 1.0870287112482637
Energy: 0.9631440593071475
Energy: 1.004101900924523
Energy: 0.9976261806472866
Energy: 0.9868536916201469
Energy: 1.0126070682593664
Energy: 1.0269686170227434
Energy: 0.9961412841498481
Energy: 0.9960673099747368
Energy: 1.0074613918775446
Energy: 1.0417139769766808
Energy: 1.003869271276712
Energy: 0.9953310489115225
Energy: 0.9955897132718757
Energy: 0.9921143545691234
Energy: 1.0427907751042653
Energy: 1.0414440510461513
Energy: 0.9994103716909833
Energy: 1.0187413200799182
Energy: 0.9952042314269554
Energy: 1.0035566714869262
Energy: 0.9958214566608289
Energy: 0.9972185301582964
Energy: 0.98436888637855
Energy: 0.9949041597542893
Energy: 1.0042908252979488
Energy: 0.9995125863992992
Energy: 1.0594201862314714
Energy: 1.0263299813652345
Energy: 1.0051254399270186
Energy: 1.011576044097693
Energy: 1.0008833366903687
Energy: 1.0597688000441081
Energy: 1.0096628011956739
Energy: 1.0218283931369943
Energy: 0.9837299167754114
Energy: 1.0182216846726833
Energy: 1.005978376553628
Energy: 0.9971673308723268
Energy: 1.000955859468969
Energy: 0.9822019609763132
Energy: 1.0060932359393338
Energy: 0.9392670803330508
Energy: 0.9961978620312668
Energy: 0.9998885180500567
Energy: 1.017870246123212
Energy: 1.00371756456625
Energy: 0.9753379945701902
Energy: 1.0091307246810077
Energy: 1.0268643419259094
Energy: 1.009183266521729
Energy: 1.002757852465293
Energy: 0.9533470749060919
Energy: 1.0071455882802955
Energy: 1.0047434505113981
Energy: 1.0376110166150274
Energy: 1.020822992660507
Energy: 1.0413783258917981
Energy: 1.0205764845209733
Energy: 1.0215297304823128
Energy: 1.0652892966102416
Energy: 0.9535951893460966
Energy: 1.0407732345256109
Energy: 1.0409569533457577
Energy: 1.022645556244046
Energy: 1.0669456417889978
Energy: 0.9991234397401327
Energy: 0.9869639228087326
Energy: 0.9601502832270251
Energy: 1.0048899345897822
Energy: 1.0242176149904456
Energy: 0.9415038450958311
Energy: 0.9571458379187616
Energy: 0.9556033970430049
Energy: 1.007866283972947
Energy: 1.0042517030871967
Energy: 0.9842700063814988
Energy: 0.9549296751742319
Energy: 0.9749665324490919
Energy: 0.9721095161622288
Energy: 0.9571555643727456
Energy: 0.9858593605343015
Energy: 0.9486618389486059
Energy: 0.9709788929686701
Energy: 0.9760886641664995
Energy: 1.0183528509078577

minimum gb energy = 0.9242909543214474 eV
minimum distance =  2.4258489357925 Angstroms
sigma value = 165


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

Energy: 1.196803249954917
Energy: 0.896759252734125
Energy: 0.9055397545067976
Energy: 0.9445397231633759
Energy: 0.8998951188762292
Energy: 1.1951662892147974
Energy: 0.9061333975355541
Energy: 0.9055770866649059
Energy: 0.9445682099217527
Energy: 0.8972931305039338
Energy: 0.9458296058320061
Energy: 0.9454976436215624
Energy: 0.9494747741760002
Energy: 0.9376827069620054
Energy: 0.9387614173351814
Energy: 0.9466889918043403
Energy: 0.9457607912383487
Energy: 0.9485149970190044
Energy: 0.9386406401987809
Energy: 0.9804690833679038
Energy: 0.9438599947890721
Energy: 0.9848329394415579
Energy: 0.909290694574333
Energy: 0.9550118745690667
Energy: 0.983169211135161
Energy: 0.942952224573855
Energy: 1.0182809782693527
Energy: 0.9490882436021305
Energy: 0.9548384012135274
Energy: 0.9759717000209887
Energy: 0.9658709538617443
Energy: 0.9440920967633831
Energy: 0.9493667017775436
Energy: 0.9543246550841716
Energy: 0.8966178019161571
Energy: 0.9968236168238543
Energy: 0.9440455298928013
Energy: 0.9488068291178595
Energy: 0.9547766243432422
Energy: 0.9357068646371486
Energy: 0.9509039605441548
Energy: 0.9424960221735009
Energy: 0.9396292751981445
Energy: 0.9336099379627768
Energy: 0.9391032543889406
Energy: 0.9493472129998889
Energy: 0.9407961113512577
Energy: 0.9390862076349075
Energy: 0.9344413407372167
Energy: 0.9393699898832364
Energy: 1.0152914871470138
Energy: 0.94582298068477
Energy: 0.9067702585339065
Energy: 0.8975303412791962
Energy: 0.9397091144494532
Energy: 1.0154878729045476
Energy: 0.9450606988599928
Energy: 0.9070170785429454
Energy: 0.8957887666243639
Energy: 0.9395648991231201
Energy: 0.94945494304839
Energy: 0.9394708440055584
Energy: 0.9444186248000512
Energy: 0.9080559372903676
Energy: 0.9440607558141456
Energy: 0.9817596043746849
Energy: 0.9533120050852548
Energy: 0.9436020326989237
Energy: 0.9094067286882374
Energy: 0.9441263197695187
Energy: 0.9506850188731217
Energy: 0.9368733173668335
Energy: 0.9375704850482741
Energy: 0.936606083877728
Energy: 0.9395162989151565
Energy: 0.9375903687178023
Energy: 0.9360913027443609
Energy: 0.938465360751867
Energy: 0.935167345840594
Energy: 0.8962532104018233
Energy: 0.8990872685572923
Energy: 0.9401029989788228
Energy: 0.9059373523901254
Energy: 0.9345667754427597
Energy: 0.940751242419053
Energy: 0.8985839370555931
Energy: 0.9383335138783273
Energy: 0.9059979408615367
Energy: 0.9345296395751918
Energy: 0.9597781702149764
Energy: 0.9372942606796937
Energy: 0.9454128201211635
Energy: 0.9432578497090964
Energy: 0.9392984278391495
Energy: 0.9386526956735843
Energy: 0.9819020301937736
Energy: 0.9448650440341023
Energy: 0.9443101281985572
Energy: 0.9392804038818511
Energy: 0.9395290344903275
Energy: 0.9473685734861462
Energy: 0.9449772328799022
Energy: 0.9500880359494901
Energy: 0.9486147157286351
Energy: 0.9734945270240825
Energy: 0.9492173940426848
Energy: 0.9446468133243754
Energy: 0.9499451946586872
Energy: 0.9485490858045718
Energy: 0.8970545752469036
Energy: 0.9456619794410269
Energy: 0.9374876469949687
Energy: 0.9508625612586463
Energy: 0.9383155865031848
Energy: 0.9497582430580016
Energy: 0.9498863885752575
Energy: 0.9436941341801133
Energy: 0.9503825029939712
Energy: 0.9376736656993346
Energy: 0.9857046056999208
Energy: 0.9934900461381599
Energy: 0.9390460267645014
Energy: 0.9377584314432577
Energy: 0.9396430422573292
Energy: 0.9061494412244452
Energy: 1.014520091927038
Energy: 0.9406048211535142
Energy: 0.93829811248286
Energy: 0.9448296564740394
Energy: 0.9144538183036459
Energy: 0.9394539131984889
Energy: 0.942697555255882
Energy: 0.93896656853689
Energy: 0.8979462924902113
Energy: 0.9355578652658993
Energy: 0.9844244455478443
Energy: 0.9414143459381118
Energy: 0.914640916861762
Energy: 0.8998496172695187
Energy: 0.9358482471680823
Energy: 0.9467545580687579
Energy: 0.9386994761982945
Energy: 0.9461660876107045
Energy: 0.9064880302646846
Energy: 0.9445584331535929
Energy: 0.9455711178269115
Energy: 0.9388916897497323
Energy: 0.9467933446803392
Energy: 0.9070488450037479
Energy: 0.9439075135638911

minimum gb energy = 0.8957887666243639 eV
minimum distance =  2.44522654156563 Angstroms
sigma value = 41


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

Energy: 1.1259683514923118
Energy: 0.8168034967539299
Energy: 0.8231984886687073
Energy: 0.8269944829991376
Energy: 0.8180436449226337
Energy: 0.9779064100142005
Energy: 0.8322923557595998
Energy: 0.8232268243027466
Energy: 0.8278979274462583
Energy: 0.8161298568501805
Energy: 0.8881357392617405
Energy: 0.8319766408393396
Energy: 0.8165409128415708
Energy: 0.8172509916383424
Energy: 0.8256287419816175
Energy: 0.8968231710364895
Energy: 0.8312341262198396
Energy: 0.817812323984902
Energy: 0.8173285538386813
Energy: 0.8483597871370334
Energy: 0.8395068237562522
Energy: 0.8367913589069423
Energy: 0.8419058928178008
Energy: 0.862015595815649
Energy: 0.8143730205645182
Energy: 0.8388606710366833
Energy: 0.8386705289018016
Energy: 0.8375478152933319
Energy: 0.8715082945868983
Energy: 0.8141464703619613
Energy: 0.8440397033811698
Energy: 0.8191670802937852
Energy: 0.839245691784968
Energy: 0.878830985964801
Energy: 0.9924505649354998
Energy: 0.8445050935092782
Energy: 0.8180979959941012
Energy: 0.8383832875616438
Energy: 0.8784552406453402
Energy: 0.9925581943350718
Energy: 0.8156189003824899
Energy: 0.8224343543084774
Energy: 0.8387749655387636
Energy: 0.8491377868193651
Energy: 0.8556968074834252
Energy: 0.8159030368764898
Energy: 0.8394495382011682
Energy: 0.8392340894981447
Energy: 0.8495851037077686
Energy: 0.855569346009416
Energy: 0.8485688649013335
Energy: 1.0221012049717273
Energy: 0.8386241349558217
Energy: 0.8556188478396206
Energy: 0.9150387840798059
Energy: 0.8492636419888987
Energy: 0.9522387309207154
Energy: 0.8399077531114316
Energy: 0.8472535587347507
Energy: 0.9197158959017923
Energy: 0.8615411377101485
Energy: 0.850315620188276
Energy: 0.8398386927233609
Energy: 0.8137066258427202
Energy: 0.8161667481574294
Energy: 0.8556420814979002
Energy: 0.8485470365449546
Energy: 0.8394704835664257
Energy: 0.9128595856116603
Energy: 0.8677647170310889
Energy: 0.9309767591412756
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Energy: 0.8233074604110315
Energy: 0.85102106105134
Energy: 0.9916412342649659
Energy: 0.8363538501606917
Energy: 0.8387311010807549
Energy: 0.8168796921357295
Energy: 0.851957466034907
Energy: 0.9298956251154897
Energy: 0.8678377581519777
Energy: 0.9733355250699869
Energy: 0.8143720053212887
Energy: 0.8372218812023118
Energy: 0.8594054555425218
Energy: 0.8400278436002374
Energy: 0.9744075166310738
Energy: 0.837151715889217
Energy: 0.8367406921469602
Energy: 0.8244232408329181
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Energy: 0.8164781893888897
Energy: 0.829486250994216
Energy: 0.8219508061888364
Energy: 0.8374512702548933
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Energy: 0.8160093513588448
Energy: 0.8305092658864115
Energy: 0.850063896381702
Energy: 0.8145734629149117
Energy: 0.8168595544356717
Energy: 0.8293560763738496
Energy: 0.8172416216158072
Energy: 0.9296704391161666
Energy: 0.8162771932152701
Energy: 0.8167434611987443
Energy: 0.829041562965947
Energy: 0.8187705448541314
Energy: 0.9879686683111844
Energy: 0.8378162349853036
Energy: 0.8164210127155475
Energy: 0.9088894633618539
Energy: 0.8181690646103462
Energy: 0.8829032556837088
Energy: 0.8173690730400063
Energy: 0.8172290388802955
Energy: 0.9127032792080978
Energy: 0.8345192348878091
Energy: 0.883623148931405
Energy: 0.8161334472098675
Energy: 0.8957594504274291
Energy: 0.8172550201042017
Energy: 0.8863003477207727
Energy: 0.8484172474829201
Energy: 0.8161613436731833
Energy: 0.8961363956859606
Energy: 0.8169550040767151
Energy: 0.9112605587988009
Energy: 0.8485155719801132
Energy: 0.8320686945588361
Energy: 0.8161108881802154
Energy: 0.8417197170259841
Energy: 0.8869812105778756
Energy: 0.8480061506797749
Energy: 0.8308121245478866
Energy: 0.8160069631081177
Energy: 0.8395697805036911
Energy: 0.8871934855351028
Energy: 0.8534457322954905
Energy: 0.8277497550884577
Energy: 0.820883788365824
Energy: 0.8175837332416356
Energy: 0.8495582791832864
Energy: 0.8374864845860244
Energy: 0.8286239583741437
Energy: 0.8177810401060019
Energy: 0.835334994164627
Energy: 0.8732916769165834
Energy: 0.8364445354681325
Energy: 1.0091144022754384
Energy: 0.8368477261090367
Energy: 0.8486789437386946
Energy: 0.844860317900799
Energy: 0.8378968973618142
Energy: 0.8987440457209742
Energy: 0.8361716034150817
Energy: 0.8480786900729953
Energy: 0.8449623045416901
Energy: 0.8374589306427788
Energy: 0.8413220651580643
Energy: 0.8381223134687803
Energy: 0.8227551255487917
Energy: 0.8471522247604064
Energy: 0.8371429597897229
Energy: 0.840802573082822
Energy: 0.8380976570897437
Energy: 0.8222278955400197
Energy: 0.8497522690891225
Energy: 0.8239756670714226
Energy: 0.837435410631109
Energy: 0.8369220530171991
Energy: 0.8394756957529815
Energy: 0.9190182607280727
Energy: 0.8399375421354961
Energy: 0.8379675096101388
Energy: 0.8367058896965782
Energy: 0.8381531237961317
Energy: 0.901641069563289
Energy: 0.9106654657619876
Energy: 0.8505303677208564
Energy: 0.8143099680954565
Energy: 0.8451830352666401
Energy: 0.9153349522889304
Energy: 0.9838483585088473
Energy: 0.837588727937268
Energy: 0.9122425466680241
Energy: 0.8457868361861276
Energy: 0.9168921438055443
Energy: 0.9912935702810936
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Energy: 0.8364283305077885
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Energy: 0.8466063128014496
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Energy: 0.8512046871064762
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Energy: 0.8156841681808025
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Energy: 0.901198084897039
Energy: 0.815898338368276
Energy: 0.892094721512658
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Energy: 0.8161293576337516
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Energy: 0.9099379696063511
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Energy: 0.8374086164797728
Energy: 0.8739291693306463
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Energy: 0.8377533076390544
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Energy: 0.8160421733886026
Energy: 0.8549464719032458
Energy: 0.8150652370247168
Energy: 0.8484372576619145
Energy: 0.8247459924960768
Energy: 0.8678671333015062
Energy: 0.8502047506095687
Energy: 0.8771722170275114
Energy: 0.9008427744765254
Energy: 0.8622514520033091
Energy: 0.8379186974087733
Energy: 0.8384626723335845
Energy: 0.8761445836095236
Energy: 0.9025128859206002
Energy: 0.854084002387939
Energy: 0.852982685865275
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Energy: 0.8180481103145772
Energy: 0.8552521579771668
Energy: 0.8680595460033703
Energy: 0.8777853781819659
Energy: 0.8278274732006501
Energy: 0.8188653566682381
Energy: 0.8543942870372855
Energy: 0.8670974829894222
Energy: 0.8389683360806358
Energy: 0.8416740737489138
Energy: 0.8366320025129392
Energy: 0.8500817497354416
Energy: 0.8492318928586238
Energy: 0.8662522538811696
Energy: 0.9711542829552632
Energy: 0.8374510227015033
Energy: 0.8510194498553004
Energy: 0.8497421648624645
Energy: 0.840520102550081
Energy: 0.9752038652938038
Energy: 0.8370566504886353
Energy: 0.8707550893586079
Energy: 0.8179718937797905
Energy: 0.8160274565019745
Energy: 0.8175671877616691
Energy: 0.8374065369989376
Energy: 0.8510632674935092
Energy: 0.8182010596416981
Energy: 0.8148805062682719
Energy: 0.8175801820660195
Energy: 0.813510897558911
Energy: 0.8623774622190672
Energy: 0.8268997452473971
Energy: 0.8280428849368996
Energy: 0.8423328657617346
Energy: 0.8133529788179111
Energy: 0.8869631474173791
Energy: 0.8265527315407841
Energy: 0.8268608563629093
Energy: 0.8402633683619588
Energy: 0.8244098874419475
Energy: 0.9015131137351398
Energy: 0.8295009717755353
Energy: 0.8279039971784538
Energy: 0.816879214488306
Energy: 0.825066454835214
Energy: 0.8873186142310574
Energy: 0.8291078876238964
Energy: 0.8263490703042035
Energy: 0.8172000335904801
Energy: 0.8159235338373793
Energy: 0.8176133750744384
Energy: 0.8956985215081352
Energy: 0.8983743375024783
Energy: 0.8367208316817333
Energy: 0.9275633410740042
Energy: 0.8160971510008606
Energy: 0.8983954857215052
Energy: 0.8161317693226874
Energy: 0.8468092207107661

minimum gb energy = 0.8133529788179111 eV
minimum distance =  2.53578561485828 Angstroms
sigma value = 185


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

Energy: 0.6682642825476637
Energy: 0.6256269515922773
Energy: 0.6592889868577683
Energy: 0.746974197344866
Energy: 0.507761340402966
Energy: 0.5056950139239066
Energy: 0.7735172105599644
Energy: 0.6958671368006902
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Energy: 0.6255804105348284
Energy: 0.5068144381134091
Energy: 0.6933850111847407
Energy: 0.7329036889627487
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Energy: 0.6152706999673292
Energy: 0.5540079934092792
Energy: 0.6895775352485838
Energy: 0.7794625567481845
Energy: 0.6390583149738256
Energy: 0.63884312432746
Energy: 0.6053385749874554
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Energy: 0.625783791573469
Energy: 0.5908806465843127
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Energy: 0.5763007825319986
Energy: 0.6597865429975849
Energy: 0.6480645699606966
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Energy: 0.45532006022049215
Energy: 0.45470438678243524
Energy: 0.6632926167454885
Energy: 0.7012802047129012
Energy: 0.5645801150479851
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Energy: 0.5056796510749652
Energy: 0.6365611805893104
Energy: 0.7201639442874868
Energy: 0.6541561163155499
Energy: 0.4600075782292755
Energy: 0.6616983041322279
Energy: 0.6317186778241113
Energy: 0.6698548707513378
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Energy: 0.5766438318680855
Energy: 0.6172398478668033
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Energy: 0.6465270343029647
Energy: 0.6723829503788389
Energy: 0.6331963029405254
Energy: 0.6594012682470018
Energy: 0.656767153603579
Energy: 0.6410995567568384
Energy: 0.4631412035607421
Energy: 0.4680616966117682
Energy: 0.618032299644387
Energy: 0.7563140875650061
Energy: 0.698376030038733
Energy: 0.5490879758216807
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Energy: 0.6823406235427888
Energy: 0.602862960823979
Energy: 0.6050270175394791
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Energy: 0.6497266865707302
Energy: 0.5570946969971412
Energy: 0.5470306736473517
Energy: 0.6645660741015499
Energy: 0.6106480392016602
Energy: 0.6058669756583778
Energy: 0.5825199395828633
Energy: 0.6017180333974748
Energy: 0.6066560063803491
Energy: 0.7140060702270622
Energy: 0.6371596131627417
Energy: 0.6378893273125467
Energy: 0.6265000560958591
Energy: 0.6562291358981447
Energy: 0.6116090503874142
Energy: 0.62033249937865
Energy: 0.4615695037963052
Energy: 0.4628516316791574
Energy: 0.573349532497004
Energy: 0.6337383525994784
Energy: 0.6531173784138544
Energy: 0.3748626039167459
Energy: 0.37578147436089065
Energy: 0.6465247700200049
Energy: 0.5729652219964455
Energy: 0.606250594110438
Energy: 0.4527009739645646
Energy: 0.5959417545717985
Energy: 0.6621364359376003
Energy: 0.5729358445892864
Energy: 0.6210249669248561
Energy: 0.37609826396407575
Energy: 0.6942806451449205
Energy: 0.649703377016679
Energy: 0.5922005923723195
Energy: 0.585962360859731
Energy: 0.410949163305973
Energy: 0.630945077625468
Energy: 0.6304183461786761
Energy: 0.6152383984209806
Energy: 0.40267306269955017
Energy: 0.4109035676206885
Energy: 0.6211222840867634
Energy: 0.6236109815089516
Energy: 0.5881578929762712
Energy: 0.4199602714746272
Energy: 0.418609225748791
Energy: 0.5943727001886083
Energy: 0.6803474657621738
Energy: 0.58722591067348
Energy: 0.41969713140457554
Energy: 0.41849313780597397
Energy: 0.6088285271938846
Energy: 0.5831836827496456
Energy: 0.6525472445355153
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Energy: 0.6269540783159603
Energy: 0.570055419556538
Energy: 0.55248171144713
Energy: 0.6024711303434392
Energy: 0.6457599923887434
Energy: 0.5751909174463182
Energy: 0.5494360385659257
Energy: 0.6349325675033493
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Energy: 0.37583970707696623
Energy: 0.593282503827649
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Energy: 0.6350977035636111
Energy: 0.33235661019550383
Energy: 0.3329159409859758
Energy: 0.5710631404843676
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Energy: 0.6975328352255677
Energy: 0.36780693002178433
Energy: 0.37557528380773003
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Energy: 0.7606399533256747
Energy: 0.5312067736878052
Energy: 0.36320864918456064
Energy: 0.33268056918757094
Energy: 0.6152789358488671
Energy: 0.7520316473810625
Energy: 0.6556321228628053
Energy: 0.6740308709894894
Energy: 0.5701273442061694
Energy: 0.6443144865317264
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Energy: 0.68632245765794
Energy: 0.7098431956967745
Energy: 0.6074641871104791
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Energy: 0.7752768258860845
Energy: 0.6834281708288188
Energy: 0.42210244786298057
Energy: 0.7407468063355543
Energy: 0.691157209796459
Energy: 0.6518724788202732
Energy: 0.4178317417583859
Energy: 0.42288509095036847
Energy: 0.7048682277744127
Energy: 0.6904014358734806
Energy: 0.6895905204526209
Energy: 0.41770093013816567
Energy: 0.4318059490872595
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Energy: 0.6427243198011218
Energy: 0.6463634798392099
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Energy: 0.6462497967067538
Energy: 0.8219494337036067
Energy: 0.7336559683494837
Energy: 0.5450081885261984
Energy: 0.6590395082221621
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Energy: 0.5907163848305333
Energy: 0.5426870168485123
Energy: 0.33359349806701405
Energy: 0.6681798744982022
Energy: 0.6576838857198635
Energy: 0.6695806681045042
Energy: 0.5407727978411285
Energy: 0.366512260032787
Energy: 0.37540337422211073
Energy: 0.5966768251940768
Energy: 0.6612223363000163
Energy: 0.5312240490804583
Energy: 0.3320696838872722
Energy: 0.3327043822196354
Energy: 0.5372507811699355
Energy: 0.6750997829356775
Energy: 0.3757943525054054
Energy: 0.3742468348115582
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Energy: 0.6981898641903571
Energy: 0.5850619308629244
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Energy: 0.5540519745544931
Energy: 0.5379949559792231
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Energy: 0.6106811492167579
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Energy: 0.4205079386203995
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Energy: 0.6350775609225402
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Energy: 0.5871721887278933
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Energy: 0.47263323956092584
Energy: 0.6395041196474113
Energy: 0.6821637326726322
Energy: 0.6412347477870844
Energy: 0.4035022318171747
Energy: 0.37587527269908455
Energy: 0.6013451002681879
Energy: 0.7017635051534444
Energy: 0.6205634227930928
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Energy: 0.46620517873332057
Energy: 0.6010893095457516
Energy: 0.676169881248346
Energy: 0.6255647860075142
Energy: 0.597155748253085
Energy: 0.6453937989072447
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Energy: 0.6636942714115983
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Energy: 0.5939620030496674
Energy: 0.5920658722725234
Energy: 0.614404324989678
Energy: 0.5441853095022553
Energy: 0.5461297963563259
Energy: 0.5464264811210641
Energy: 0.6744643830865404
Energy: 0.6285811388268998
Energy: 0.6050614526861391
Energy: 0.46176691205786025
Energy: 0.4623480297134002
Energy: 0.6340855545525905
Energy: 0.6375435392010501
Energy: 0.6599143630706208
Energy: 0.6281216160784798
Energy: 0.50201976678729
Energy: 0.6514584294332226
Energy: 0.7262679088922084
Energy: 0.6612857156365941
Energy: 0.5288234855677082
Energy: 0.6111986991533148
Energy: 0.6499584219636001
Energy: 0.660069344158563
Energy: 0.6553626370390074
Energy: 0.4405479400894787
Energy: 0.6973380348413131
Energy: 0.6516056777127084
Energy: 0.6756087057302372
Energy: 0.6233345290358101
Energy: 0.48977515908234964
Energy: 0.5317592113662057
Energy: 0.745958992790461
Energy: 0.6607895336038679
Energy: 0.4583210710785208
Energy: 0.4576484100781311
Energy: 0.6528226882243477
Energy: 0.7603884309431513
Energy: 0.5911773001364473
Energy: 0.5143154367083689
Energy: 0.5059720767711516
Energy: 0.6102734988307164
Energy: 0.7830455228544838
Energy: 0.6510091307015613
Energy: 0.6711212527708744
Energy: 0.6665901411662077
Energy: 0.7187576119472376
Energy: 0.7817167455229462
Energy: 0.684189215555099
Energy: 0.5313747504320447
Energy: 0.5323456920504162
Energy: 0.5383321185640327
Energy: 0.6480524291381796
Energy: 0.6709521416495248
Energy: 0.6392871945750218
Energy: 0.5536730097588992
Energy: 0.7211418304628759
Energy: 0.6342579018318605
Energy: 0.63081681842728
Energy: 0.5134107564139482
Energy: 0.5471267781652295
Energy: 0.636090993225626
Energy: 0.7013477248305252
Energy: 0.6256200840290584

minimum gb energy = 0.3320696838872722 eV
minimum distance =  2.50909843730182 Angstroms
sigma value = 33


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

Energy: 0.7785220562410398
Energy: 0.7504769391567515
Energy: 0.789101593681509
Energy: 0.7867586519018265
Energy: 0.738461564176118
Energy: 0.7396695342647084
Energy: 0.7571581896632711
Energy: 0.7910615863715843
Energy: 0.7663492082647835
Energy: 0.7565217477210621
Energy: 0.7500410726848304
Energy: 0.7668022191455601
Energy: 0.7682889341323718
Energy: 0.7676126014321802
Energy: 0.7632264651547563
Energy: 0.7451549979756413
Energy: 0.7602105272602553
Energy: 0.7754153220749359
Energy: 0.7617330906932821
Energy: 0.7672528406580656
Energy: 0.7502447037440393
Energy: 0.7703610916074357
Energy: 0.764082875093351
Energy: 0.7941123525618934
Energy: 0.7437617120574453
Energy: 0.7718136221247734
Energy: 0.7625701276415267
Energy: 0.7619921651069335
Energy: 0.7978280074757169
Energy: 0.7435431727087142
Energy: 0.7886409164587973
Energy: 0.7635580727040369
Energy: 0.7839157035880251
Energy: 0.7623390660509148
Energy: 0.748955601661667
Energy: 0.7446644615129632
Energy: 0.764326951965632
Energy: 0.7782741905655421
Energy: 0.782509832087311
Energy: 0.7520222054486565
Energy: 0.7653665633901475
Energy: 0.7639129042658462
Energy: 0.7633052768377988
Energy: 0.7528416776020747
Energy: 0.7442753255803227
Energy: 0.7673369406432332
Energy: 0.7906454831046137
Energy: 0.7642273802185018
Energy: 0.7533286423505243
Energy: 0.752337947897493
Energy: 0.7674329171526149
Energy: 0.7656392655660789
Energy: 0.7960092432520504
Energy: 0.7738964229753976
Energy: 0.7522876591387642
Energy: 0.7682093331614013
Energy: 0.768857778477446
Energy: 0.7959664821082991
Energy: 0.7512165096731903
Energy: 0.7528161405552969
Energy: 0.7846651115518118
Energy: 0.7715022099371902
Energy: 0.7852254787025704
Energy: 0.7511373121165184
Energy: 0.7647675282150048
Energy: 0.8001944307566687
Energy: 0.772148847080191
Energy: 0.7525339553674847
Energy: 0.7514593118008218
Energy: 0.762858823594872
Energy: 0.7530124025183565
Energy: 0.7681590737396791
Energy: 0.7489514987544912
Energy: 0.752295576544113
Energy: 0.752366287725196
Energy: 0.7526847645629879
Energy: 0.7682433910665557
Energy: 0.7489373943823747
Energy: 0.752604498968208
Energy: 0.7527905187831628
Energy: 0.7523940479808765
Energy: 0.7781827060735694
Energy: 0.7458470600232887
Energy: 0.7632515382410746
Energy: 0.7744500000515475
Energy: 0.7521642030407492
Energy: 0.7499017987726816
Energy: 0.7623178295180074
Energy: 0.7610746359181565
Energy: 0.776063741264132
Energy: 0.772091799588263
Energy: 0.752285472758139
Energy: 0.7612824268227876
Energy: 0.7496827046428024
Energy: 0.7530230449309685
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Energy: 0.750469728493583
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Energy: 0.7552558187844038
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Energy: 0.7569811612054421
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Energy: 0.7644005025663771
Energy: 0.7424586273022421

minimum gb energy = 0.7377806155854643 eV
minimum distance =  2.49861004496995 Angstroms
sigma value = 219


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

Energy: 0.9836989732424888
Energy: 0.9509779719941307
Energy: 1.0186516123142095
Energy: 0.9913722966977659
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Energy: 0.9451170221811198
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Energy: 0.9699565521866307
Energy: 0.975293161934515
Energy: 0.9704204175653458
Energy: 0.9859313439970138
Energy: 0.9683979844320014
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Energy: 0.9719246468047043
Energy: 0.9857663057748962
Energy: 0.9698537737010153
Energy: 0.9522316967710971
Energy: 0.9756067894729032
Energy: 0.9696818632840623
Energy: 0.973200575848614
Energy: 0.9721130634341394
Energy: 0.9532213374060016
Energy: 0.9757369101155103
Energy: 0.9713770462451797
Energy: 0.9706125803159007
Energy: 0.9700493491059824

minimum gb energy = 0.9419981446198279 eV
minimum distance =  2.47404049744213 Angstroms
sigma value = 15


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

Energy: 1.2347860494403073
Energy: 1.0772900466634339
Energy: 1.1598046182275836
Energy: 1.10453206069532
Energy: 1.0928765563243714
Energy: 1.095323545142586
Energy: 1.0903598282832008
Energy: 1.1187650474137438
Energy: 1.1005322956583183
Energy: 1.0923764324304737
Energy: 1.146596955234445
Energy: 1.0891338370694468
Energy: 1.096192162576671
Energy: 1.1016184751962041
Energy: 1.098812079996719
Energy: 1.1335105761200075
Energy: 1.0952590331937608
Energy: 1.0935780167545153
Energy: 1.0976935262622796
Energy: 1.114598264760031
Energy: 1.1250582038721788
Energy: 1.1093349060154156
Energy: 1.1078771896836999
Energy: 1.120000142465762
Energy: 1.089832233036055
Energy: 1.112726660280262
Energy: 1.1091573291430186
Energy: 1.1001679481379913
Energy: 1.1223622222892717
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minimum gb energy = 1.062380932636836 eV
minimum distance =  2.43893184961102 Angstroms
sigma value = 293


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

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Energy: 1.1658581025188066
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Energy: 1.105952345990254
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Energy: 1.1646120828302036
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Energy: 1.1017542541012462
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Energy: 1.142195480206581
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Energy: 1.0880419179183998
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Energy: 1.1216084655680465
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Energy: 1.1031970722861366
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Energy: 1.1126277817706693
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Energy: 1.0925679352505322
Energy: 1.0985105789911442
Energy: 1.0796042095269962
Energy: 1.1136280637783051
Energy: 1.0871459765614064
Energy: 1.0958654335467695
Energy: 1.097659094074359
Energy: 1.0816794613749137
Energy: 1.0662444353473572
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Energy: 1.091922771359544
Energy: 1.115440109255848
Energy: 1.0492630159289704
Energy: 1.1118177309599095
Energy: 1.1022178218285485
Energy: 1.1221261720267726
Energy: 1.1146132839731389
Energy: 1.0479913693801821
Energy: 1.1415526771454678
Energy: 1.0903675269991506
Energy: 1.0883885641510511
Energy: 1.1001903615193993
Energy: 1.1329414361974848
Energy: 1.1187146111700945
Energy: 1.0915780298259508
Energy: 1.088520536321927
Energy: 1.1162711518026494
Energy: 1.047971237685159
Energy: 1.1001755394678971
Energy: 1.0867315127527548
Energy: 1.0916718786985675
Energy: 1.112731987318336
Energy: 1.0795621266169089
Energy: 1.0996382609249797
Energy: 1.087110556665435
Energy: 1.090655144131617
Energy: 1.1139459006335544
Energy: 1.1168079545793128
Energy: 1.1309346824337798
Energy: 1.0898591413303838
Energy: 1.1169310666369359
Energy: 1.069535219819165
Energy: 1.0842451751344468
Energy: 1.1008759239922494
Energy: 1.1236032984363924
Energy: 1.1036571865909675
Energy: 1.11722866745126
Energy: 1.0847113825147159
Energy: 1.102301896422792
Energy: 1.1167760980884356
Energy: 1.1037424017506146
Energy: 1.114279913272829
Energy: 1.1113075533712784
Energy: 1.1237634258367628
Energy: 1.1199484579490364
Energy: 1.1463361556587548
Energy: 1.1146349387575294
Energy: 1.111875414302245
Energy: 1.1020758582742702
Energy: 1.0860784352407449
Energy: 1.1657443548043511
Energy: 1.102530065809803
Energy: 1.1121956255527414
Energy: 1.1012010068329061
Energy: 1.0844057409326828
Energy: 1.1655548220127805
Energy: 1.1021458545100236
Energy: 1.11278953944726
Energy: 1.0433357240890009
Energy: 1.1105802502642739
Energy: 1.100291361165958
Energy: 1.0935911552039614
Energy: 1.1146784644300294
Energy: 1.115426661325521
Energy: 1.1089123983818057
Energy: 1.0993631274817162
Energy: 1.0952119639321996
Energy: 1.1008222595039057

minimum gb energy = 1.0425378826286793 eV
minimum distance =  2.44419530794144 Angstroms
sigma value = 293


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

Energy: 1.0387205127684889
Energy: 1.0293931182398819
Energy: 1.1255045877526604
Energy: 1.0454622396471
Energy: 1.0292648300801504
Energy: 1.0381769089079693
Energy: 1.0455599448748127
Energy: 1.127095284445838
Energy: 1.0450952906183835
Energy: 1.0289468877911274
Energy: 1.0306908385443063
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Energy: 1.0363781575360214
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Energy: 1.120165951395041
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Energy: 1.0365347942062872
Energy: 1.0627544763213006
Energy: 1.0380102001312868
Energy: 1.0379763968974378
Energy: 1.0393592392754132
Energy: 1.046243518104575
Energy: 1.1210349304569331
Energy: 1.0369552528808526
Energy: 1.0377339705875108
Energy: 1.0391062380762304
Energy: 1.048428025437581
Energy: 1.1197954186571217
Energy: 1.1251218797500917
Energy: 1.0314411522894025
Energy: 1.0287838342645947
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Energy: 1.0389055415302757
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Energy: 1.0399916291754623
Energy: 1.0400637775663033
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Energy: 1.0463817200356686
Energy: 1.037516990987261
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Energy: 1.1223804118541227
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Energy: 1.035468780762296
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Energy: 1.0290251300527502
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Energy: 1.046608611931977
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Energy: 1.1253208476145944
Energy: 1.0295192255443608
Energy: 1.0287641803987329
Energy: 1.0467406716103225
Energy: 1.1202581643617726
Energy: 1.044540070846391
Energy: 1.0297878808539553
Energy: 1.0292957919612633
Energy: 1.0409388082355842
Energy: 1.0454480339755814
Energy: 1.0455080870206168
Energy: 1.028870096125863
Energy: 1.0302513022766735
Energy: 1.0400519171136813
Energy: 1.0371991270103844
Energy: 1.0378747830280912
Energy: 1.1268933640677732
Energy: 1.0450321931452637
Energy: 1.037750043090292
Energy: 1.0348861514838563
Energy: 1.0376073825894903
Energy: 1.123734186968862
Energy: 1.0447916744800991
Energy: 1.039299529677107
Energy: 1.0340878792909116
Energy: 1.0473780298468818
Energy: 1.0297182798619628
Energy: 1.0466063568064772
Energy: 1.0373725974319448
Energy: 1.0410023976119511
Energy: 1.0396399533944913
Energy: 1.0279480520263513
Energy: 1.0461120147559355
Energy: 1.037865832489661
Energy: 1.0394895888889328
Energy: 1.0635844047315721
Energy: 1.1220398639701294
Energy: 1.131489436764369
Energy: 1.0311009160538491
Energy: 1.0302416520292155
Energy: 1.0635113180089604
Energy: 1.119887384579778
Energy: 1.0468040040553905
Energy: 1.0401599711784986
Energy: 1.0296681233299063
Energy: 1.0377105769026882
Energy: 1.0294889410913899
Energy: 1.0358569298487745
Energy: 1.0291625158892561
Energy: 1.1209156597510448
Energy: 1.0373328283333028
Energy: 1.0362596435025935
Energy: 1.0360870017862447
Energy: 1.0293465807555313
Energy: 1.039407618425557
Energy: 1.0398251389782045
Energy: 1.0396604009575015
Energy: 1.124934611171998
Energy: 1.1289677028677236
Energy: 1.0443932650620384
Energy: 1.0469745915378443
Energy: 1.047104025402541
Energy: 1.1233675983797191
Energy: 1.0640886798900897
Energy: 1.0399917424801797
Energy: 1.0310631313436784
Energy: 1.0459405261319623
Energy: 1.0478563247332409
Energy: 1.0391654145406957
Energy: 1.121575254410775
Energy: 1.0299058484755241
Energy: 1.0471104768266835
Energy: 1.0362051814456346
Energy: 1.0389991099615032
Energy: 1.1230256498001092

minimum gb energy = 1.0279480520263513 eV
minimum distance =  2.46254399209808 Angstroms
sigma value = 15


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

Energy: 1.8584877525842292
Energy: 1.1711262052316522
Energy: 1.1253905272499645
Energy: 1.0452570211503232
Energy: 1.0487408382258028
Energy: 1.0461478914433833
Energy: 1.1742957902466469
Energy: 1.1301106079086152
Energy: 1.0607582400974864
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Energy: 1.0228582840315548
Energy: 1.1343430073716223
Energy: 1.1016904113333548
Energy: 1.0993458591449023
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Energy: 1.0460200533933002
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Energy: 1.0948663418362543
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Energy: 1.2165571340656218
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Energy: 1.2294162407501075
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Energy: 1.0480213172234858
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Energy: 1.1827216554657172
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Energy: 1.0931383905020213
Energy: 1.198533388910787
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Energy: 1.0881569736201648
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Energy: 1.0290822914062532
Energy: 1.0907921415064121
Energy: 1.0653549908003852
Energy: 1.0276358940096948
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Energy: 1.2732125442421738
Energy: 1.203123830505291
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Energy: 1.0277398572897938
Energy: 1.0658512276109846
Energy: 1.204711383135877
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Energy: 1.0495938176125466
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Energy: 1.0533243443672717
Energy: 1.056210462358239
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Energy: 1.0670183001752103
Energy: 1.136125234207559
Energy: 1.1775486822599848
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Energy: 1.0404380948208782
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Energy: 1.1303428125418957
Energy: 1.0517329748506794
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Energy: 1.1834157945837351
Energy: 1.0413243726802215
Energy: 1.0549173150430584
Energy: 1.0468135022817424
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Energy: 1.041395074137916
Energy: 1.0542550634983117
Energy: 1.0255021267503528
Energy: 1.1164614084940154
Energy: 1.0687703824284391
Energy: 1.0864429904190596
Energy: 1.089324835762747
Energy: 1.2530940397295605
Energy: 1.0474032481240838
Energy: 1.039868370683554
Energy: 1.0737921688932084
Energy: 1.1790400209546408
Energy: 1.2557283065912546
Energy: 1.0484769508409182
Energy: 1.0812315145915756
Energy: 1.0793322994601484
Energy: 1.0407510717546264
Energy: 1.1169726562589455
Energy: 1.0720617992841694
Energy: 1.0790599219863792
Energy: 1.0413460023457644
Energy: 1.0658307869866968
Energy: 1.070854632240858
Energy: 1.0728259775384923
Energy: 1.023659126305069
Energy: 1.053188036848881
Energy: 1.2170121945324834
Energy: 1.219069392069256
Energy: 1.09791051871589
Energy: 1.0251341060568855
Energy: 1.053059785488563
Energy: 1.22034336731628
Energy: 1.0715389053364253
Energy: 1.0875487829395027
Energy: 1.0543704473448268
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Energy: 1.1521288340551508
Energy: 1.0979424416632821
Energy: 1.0182975100204135
Energy: 1.0500547374581664
Energy: 1.19541760878935
Energy: 1.1555312151742543
Energy: 1.1349394519873544
Energy: 1.0505401848375673
Energy: 1.1242801674567058
Energy: 1.0800621683195997
Energy: 1.0656734488182327
Energy: 1.0955888544791867
Energy: 1.1919571068077675
Energy: 1.124472011460594
Energy: 1.0740489622254537
Energy: 1.0644220938680806
Energy: 1.0958397809560596
Energy: 1.1910199402025714
Energy: 1.176809968975587
Energy: 1.1117639583360381
Energy: 1.0952855788451576
Energy: 1.0494909895157705
Energy: 1.0407491394356725
Energy: 1.1771177460882556
Energy: 1.1160904701657632
Energy: 1.0722736768627363
Energy: 1.097125954217277
Energy: 1.2161207631141586
Energy: 1.1291648146581694
Energy: 1.1936303860405086
Energy: 1.1089281923584418
Energy: 1.187333465649202
Energy: 1.2130179588227863
Energy: 1.1079369943976274
Energy: 1.185089594266068
Energy: 1.1174959175458694
Energy: 1.1876360013924478
Energy: 1.2196274726202805
Energy: 1.2118407673006482
Energy: 1.11846156635118
Energy: 1.1173194687479846
Energy: 1.0486875167124527
Energy: 1.1466477588027981
Energy: 1.2097515831600574
Energy: 1.1309460287732673
Energy: 1.1167089194908681
Energy: 1.0489256723282718
Energy: 1.093378402104916
Energy: 1.2292175307220683
Energy: 1.0505534778259191
Energy: 1.0487439600189825
Energy: 1.2130457929464107
Energy: 1.254883392111005
Energy: 1.2237378889198776
Energy: 1.0493171684260252
Energy: 1.0495113407287329
Energy: 1.214515199965193
Energy: 1.2467494196086877
Energy: 1.0496461247079247
Energy: 1.0511372750057315
Energy: 1.0467323329567522
Energy: 1.1576540101067838
Energy: 1.137557460049899
Energy: 1.0485950814434446
Energy: 1.0506061672209241
Energy: 1.0471995714047633
Energy: 1.1723598640411337
Energy: 1.1196191067563732
Energy: 1.050555624231581
Energy: 1.048445137474901
Energy: 1.054220576347039
Energy: 1.0411039321543758
Energy: 1.158926384479717
Energy: 1.0494227164987808
Energy: 1.0510505302283957
Energy: 1.055700416873463
Energy: 1.0626138595020498
Energy: 1.1565474826170368
Energy: 1.050277265650954
Energy: 1.2129887039153295
Energy: 1.1821229924837684
Energy: 1.1435914111077305
Energy: 1.028217996613363
Energy: 1.111199163040811
Energy: 1.063543566099793
Energy: 1.1832340739504634
Energy: 1.1365130941073045
Energy: 1.0286310473263682
Energy: 1.1042406387230084
Energy: 1.0233981692263197
Energy: 1.0290356612918679
Energy: 1.0305237831021992
Energy: 1.0751092923565935
Energy: 1.1027651640545015
Energy: 1.0233594971054025
Energy: 1.0291399052846657
Energy: 1.0300009101952707
Energy: 1.0666890318169393
Energy: 1.117363513879675
Energy: 1.0523616920543883
Energy: 1.0625019154840363
Energy: 1.06496965957098
Energy: 1.029189682245923
Energy: 1.123438098019868
Energy: 1.0684974936300287
Energy: 1.056318412113819
Energy: 1.066797319346002
Energy: 1.0286635649137719
Energy: 1.2304553259808786
Energy: 1.117496900005317
Energy: 1.0614492235665562
Energy: 1.032907753003239
Energy: 1.1071475624800011
Energy: 1.2209303470653265
Energy: 1.1233615921834346
Energy: 1.029871202015532
Energy: 1.0279863473293775
Energy: 1.1053040633746989
Energy: 1.1243366996909554
Energy: 1.028031936414662
Energy: 1.0524512095575451
Energy: 1.0518142927959326
Energy: 1.1282062064083425
Energy: 1.1411206241018872
Energy: 1.0280575730342687
Energy: 1.0527975684200424
Energy: 1.052865001916682
Energy: 1.1059827281393733
Energy: 1.099393911413572
Energy: 1.1210359684564792
Energy: 1.181443593763699
Energy: 1.0748494148002707
Energy: 1.0672549958378996
Energy: 1.098853511584367
Energy: 1.1174342404716244
Energy: 1.062593607047329
Energy: 1.0686049281750218
Energy: 1.0862716772048586
Energy: 1.125642720846918
Energy: 1.1085688797758997
Energy: 1.2072504305440324
Energy: 1.08998531232116
Energy: 1.128817854541938
Energy: 1.0707023908482785
Energy: 1.1230180036863204
Energy: 1.210006670087517
Energy: 1.0917070661453943
Energy: 1.1299557250638308
Energy: 1.2143470140454078
Energy: 1.2016132713105354
Energy: 1.068021573842887
Energy: 1.200895928695212
Energy: 1.07605113400304
Energy: 1.2147013376305091
Energy: 1.2008045490808672
Energy: 1.0682790971380949
Energy: 1.172301266354972
Energy: 1.0764098797293384
Energy: 1.0340964636232122
Energy: 1.1781508905348423
Energy: 1.0982092853447531
Energy: 1.215602408431199
Energy: 1.1329731277118087
Energy: 1.0365560912439493
Energy: 1.1975238005590205
Energy: 1.0975656105534597
Energy: 1.1939842409923829
Energy: 1.1359185384703443
Energy: 1.1987443186095572
Energy: 1.255876826232749
Energy: 1.2317068013710457
Energy: 1.1656357210019739
Energy: 1.0455668209601876
Energy: 1.189229770385496
Energy: 1.255984204232855
Energy: 1.2311083489903436
Energy: 1.1039671093085435
Energy: 1.0453756672370869
Energy: 1.046353545954242
Energy: 1.164444448031555
Energy: 1.0511544099820211
Energy: 1.0481093797755228
Energy: 1.0540528495494532
Energy: 1.0472188979117798
Energy: 1.1789503565380675
Energy: 1.0462767988546209
Energy: 1.0489523737888575
Energy: 1.0509162851201252
Energy: 1.048917961073335
Energy: 1.1423583519818474
Energy: 1.150450998487583
Energy: 1.044456721827321
Energy: 1.0448738794714756
Energy: 1.1066674315912945
Energy: 1.1438116193871457
Energy: 1.0526992179153385
Energy: 1.0461194720379197
Energy: 1.0453823554097363
Energy: 1.137156717393688
Energy: 1.041197301648177
Energy: 1.0553188715170934
Energy: 1.1284508535945095
Energy: 1.1305762030148263
Energy: 1.126397290524451
Energy: 1.0411899982926143
Energy: 1.0522840780487386
Energy: 1.1405650885708727
Energy: 1.1156697183601436
Energy: 1.048181346873963
Energy: 1.0465516956669751
Energy: 1.1428966035934347
Energy: 1.2503136126050078
Energy: 1.0475384392467055
Energy: 1.0377471442998747
Energy: 1.0352780694345538
Energy: 1.1527701236853105
Energy: 1.2543556285512019
Energy: 1.0478957748337878
Energy: 1.0515121902064215
Energy: 1.0453684420192213
Energy: 1.049216862233207
Energy: 1.0645577868499956
Energy: 1.0528201291459864
Energy: 1.0533605021324488
Energy: 1.0536721144225683
Energy: 1.0547625381131758
Energy: 1.0485706494294156
Energy: 1.050619257811217
Energy: 1.0484522486108396
Energy: 1.0378007719788527
Energy: 1.2153135330696967
Energy: 1.2153561514625095
Energy: 1.1038092882913886
Energy: 1.0376860794216847
Energy: 1.0384329329733046
Energy: 1.2284491060348188
Energy: 1.1505106882037708
Energy: 1.0655184771508377
Energy: 1.1814648372227001
Energy: 1.2046088304261935
Energy: 1.115391243175534
Energy: 1.0860428918306622
Energy: 1.0218353648558702
Energy: 1.065070369074904
Energy: 1.1075994781433298
Energy: 1.15174956174805
Energy: 1.051667097536004
Energy: 1.026477825604789

minimum gb energy = 1.0180125508028117 eV
minimum distance =  2.40869590602212 Angstroms
sigma value = 437


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

Energy: 1.4208644505274397
Energy: 1.0348924940522344
Energy: 1.1207535273798859
Energy: 1.0504042716091455
Energy: 1.0383226190321848
Energy: 1.0091635392245606
Energy: 1.0559687381402059
Energy: 1.1096902735298624
Energy: 1.0149748535006884
Energy: 1.15179660388252
Energy: 0.9682528272626559
Energy: 1.0880892802655973
Energy: 1.0031179582973089
Energy: 1.1582977034234656
Energy: 1.0914588752557883
Energy: 0.9875315842877658
Energy: 1.0171724372818258
Energy: 1.010875404325375
Energy: 1.0869496998341686
Energy: 0.9948583973021801
Energy: 1.0686055129239755
Energy: 1.0759756858685683
Energy: 1.0909435087413664
Energy: 0.9932049146652024
Energy: 1.000788735299881
Energy: 1.067698334217107
Energy: 1.0764165747100682
Energy: 1.0946845460141759
Energy: 0.9936088031801116
Energy: 1.0771850318979976
Energy: 0.9934819431466945
Energy: 0.9964366904908474
Energy: 1.1126128894293683
Energy: 1.0693505682542355
Energy: 1.0682738083481882
Energy: 0.9946509751643439
Energy: 0.9938976318842093
Energy: 1.0999364478163045
Energy: 1.0691094470824885
Energy: 1.0802948395527645
Energy: 0.9907868296602419
Energy: 1.0883094679176368
Energy: 0.9906361669450849
Energy: 1.0184706264837442
Energy: 1.0100371934928931
Energy: 0.9895136228541387
Energy: 1.0919775075340983
Energy: 0.9911345538541468
Energy: 1.0199503569464992
Energy: 1.014113652014072
Energy: 1.0026347742812585
Energy: 0.9929308872294849
Energy: 0.9737079432169171
Energy: 0.9862754701608571
Energy: 1.0094875597845
Energy: 1.0076817008367611
Energy: 0.9931340297516702
Energy: 0.9724774603752059
Energy: 0.9867060424515866
Energy: 1.010378721162763
Energy: 1.0814786561974996
Energy: 1.0599362543350872
Energy: 1.0629583535191773
Energy: 0.9952533636152289
Energy: 0.9922834788148366
Energy: 1.082200589402224
Energy: 1.0599684953335808
Energy: 1.064360792659873
Energy: 0.9952185560223835
Energy: 0.9999063421790473
Energy: 1.0761113325611356
Energy: 1.0775024363965537
Energy: 0.9938672022376772
Energy: 1.002691575056874
Energy: 1.0881956649381803
Energy: 1.0755841870010867
Energy: 1.0953614530099254
Energy: 0.9936717476153973
Energy: 0.9933238682207025
Energy: 1.086971452849308
Energy: 0.9913989042626465
Energy: 1.10701863751267
Energy: 1.0101782269228028
Energy: 1.0880163603228312
Energy: 0.9920787092124347
Energy: 0.990419967599379
Energy: 1.0993639643867408
Energy: 1.0102806519133842
Energy: 1.094168613762717
Energy: 0.991336251876087
Energy: 0.9753030747949378
Energy: 0.9908361215227399
Energy: 0.9970786674389935
Energy: 0.9705143881962525
Energy: 1.0091557837520884
Energy: 1.0684818782228502
Energy: 0.9902996306884614
Energy: 0.9964701559561581
Energy: 0.9702729951452801
Energy: 1.008276843862406
Energy: 0.9708004655061255
Energy: 0.9706332273458816
Energy: 1.0119448471321189
Energy: 1.0096735291676426
Energy: 0.9698866090094753
Energy: 0.9703364285986169
Energy: 0.9708363341260208
Energy: 1.0117518969569967
Energy: 1.010206622845627
Energy: 0.9919343199563921
Energy: 0.9707963365821507
Energy: 0.9723528921005637
Energy: 0.9711862389362849
Energy: 1.144982461241588
Energy: 0.9721088150784017
Energy: 0.9714699310087141
Energy: 0.9720993743789617
Energy: 0.9699920876301712
Energy: 1.067618635071297
Energy: 0.9721828131387648
Energy: 0.9716799039234519
Energy: 0.9750579485802187
Energy: 1.0138584187247686
Energy: 1.0822093022863664
Energy: 0.9839723778180475
Energy: 0.9775090215779105
Energy: 0.9963906466808481
Energy: 1.0813905410367652
Energy: 1.080716205789533
Energy: 0.9730779238512455
Energy: 1.178118052899213
Energy: 0.9731693246859974
Energy: 1.1325918983465804
Energy: 0.9706539256245534
Energy: 0.9704538184374629
Energy: 1.163732045198294
Energy: 0.9744166389422747
Energy: 1.2187763012601027
Energy: 0.9718008852382796
Energy: 1.004303678511742

minimum gb energy = 0.9682528272626559 eV
minimum distance =  2.51630534220824 Angstroms
sigma value = 33