Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_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=3.8900000602006912
cohesive_energy=3.8903059725131426
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=[1.464560876375838e-19, 2.1023761791347998e-19, 2.61484839728604e-19, 3.0524028360314396e-19, 3.43665285816366e-19, 3.7793103748772395e-19, 4.0875691592588397e-19, 4.36621971944412e-19, 4.618706735196179e-19, 4.8475456238304e-19, 5.05473910613928e-19, 5.24180924992512e-19, 5.41002177472878e-19, 5.56045013889504e-19, 5.69395951780626e-19, 5.81130293448042e-19, 5.913121259571119e-19, 6.000023320199279e-19, 6.07247374758876e-19, 6.130937172963419e-19, 6.175830162248099e-19, 6.207489172535939e-19, 6.22626668268642e-19, 6.23246710626e-19, 6.2256738773318395e-19, 6.20341964388558e-19, 6.1624359655878595e-19, 6.09874944438636e-19, 6.00748946331372e-19, 5.882695925291459e-19, 5.71699881780318e-19, 5.50121766873606e-19, 5.22394498045602e-19, 4.87072911972438e-19, 4.421158356223979e-19, 3.83266285678944e-19, 3.0412196431261195e-19, 1.97376946072362e-19, 5.430273287382539e-20, -1.3753532835713518e-19, -3.9941141961976194e-19, -7.68536894327022e-19, -1.2946820878728179e-18, -2.04884745779286e-18, -3.1351392374112e-18, -4.690820705492519e-18, -6.9108607366282794e-18, -1.005931406186802e-17, -1.44783895884678e-17, -2.04871928366214e-17, -2.8018063887075e-17, -3.9319016774994e-17, -5.71614966418716e-17, -8.78274778519584e-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: 0.014660631849042212
Energy: 0.10664177253986803
Energy: 0.1091379623223264
Energy: 0.10866676941118462
Energy: 0.01783239414603096
Energy: 0.015976403019364906
Energy: 0.10634352014379664
Energy: 0.10971774387602322
Energy: 0.10809659504558627
Energy: 0.017381550534871778
Energy: 0.10714330018294654
Energy: 0.10662121870009963
Energy: 0.1067073263668246
Energy: 0.10883808659388586
Energy: 0.10892391469546618
Energy: 0.10750522979964745
Energy: 0.10673003399724981
Energy: 0.10653008407019236
Energy: 0.10894189230478055
Energy: 0.10861166731747478
Energy: 0.1092667653549826
Energy: 0.017842030855893073
Energy: 0.015052082972382861
Energy: 0.10713857746021134
Energy: 0.10800548829783961
Energy: 0.10914616453726374
Energy: 0.017077318127815544
Energy: 0.015003178069707924
Energy: 0.10697488196481349
Energy: 0.10890491989630614
Energy: 0.10791734315558371
Energy: 0.01608423886894714
Energy: 0.015822682318418324
Energy: 0.10628125377597485
Energy: 0.10726979805275756
Energy: 0.1091490669470127
Energy: 0.015662460980880873
Energy: 0.01531863033975518
Energy: 0.10593059035442846
Energy: 0.10709721355318982
Energy: 0.10779451208436644
Energy: 0.10807992320916417
Energy: 0.1064012557071585
Energy: 0.016192438763660975
Energy: 0.016034055943243156
Energy: 0.10723567209136396
Energy: 0.1087304348663075
Energy: 0.10917708586989126
Energy: 0.01695325230864903
Energy: 0.10642191259170886
Energy: 0.1061076752045956
Energy: 0.10710335970782751
Energy: 0.10811296948326535
Energy: 0.0155841842641757
Energy: 0.017758190408806843
Energy: 0.10624541223716263
Energy: 0.1065433545455692
Energy: 0.10843796198310351
Energy: 0.01593427254985421
Energy: 0.014915994677435707
Energy: 0.014909110666016056
Energy: 0.10885950049525228
Energy: 0.10805446207547521
Energy: 0.1076032937337107
Energy: 0.10694295810275775
Energy: 0.0187696532582817
Energy: 0.10693904064934362
Energy: 0.10772233981699936
Energy: 0.1083933153797969
Energy: 0.10896177222638474

minimum gb energy = 0.014660631849042212 eV
minimum distance =  2.71556354231335 Angstroms
sigma value = 3


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

Energy: 1.3805141745385057
Energy: 1.0279466812917921
Energy: 1.052134940985241
Energy: 1.0483641589284267
Energy: 1.0538171865968464
Energy: 1.0518467088469328
Energy: 1.0299222253704474
Energy: 1.0539363437898803
Energy: 1.0529949187921863
Energy: 1.031627978015226
Energy: 0.9924784783752867
Energy: 1.069900617394597
Energy: 1.0517536494448845
Energy: 0.9310839689582755
Energy: 0.8049451397149445
Energy: 0.8040036595605993
Energy: 1.103564659191861
Energy: 1.051620100867609
Energy: 0.9297128025484248
Energy: 0.8927184149750542
Energy: 1.0074074829863326
Energy: 1.0391823663437443
Energy: 0.953116442267836
Energy: 0.8704686116262401
Energy: 0.8029904635372249
Energy: 0.8032004741929349
Energy: 1.0858046926064597
Energy: 0.9328696903301882
Energy: 0.8585135165943479
Energy: 0.9666419273099581
Energy: 0.9048720516752693
Energy: 1.0525017971745532
Energy: 0.8940696276887097
Energy: 0.8029295897614784
Energy: 0.8044818742626388
Energy: 0.8032930180331083
Energy: 1.0545953540738884
Energy: 0.8973241328802904
Energy: 0.9406818015028983
Energy: 0.9666180814092946
Energy: 1.0573702556876556
Energy: 1.0728721139699462
Energy: 1.0797702765081458
Energy: 0.8580170269730112
Energy: 0.9575422093467513
Energy: 1.1073320019061361
Energy: 1.069768574521704
Energy: 1.0822337290577095
Energy: 0.8578881658142783
Energy: 0.937352268815369
Energy: 1.0298595686358523
Energy: 1.0692051443007586
Energy: 0.9601697832800372
Energy: 0.9238500833796066
Energy: 1.066839471337065
Energy: 1.0292447027044749
Energy: 1.0679726536075174
Energy: 1.1058116713803907
Energy: 0.9228726090279998
Energy: 1.019739106342654
Energy: 1.0793766217765843
Energy: 0.9924114884266374
Energy: 1.003683568815579
Energy: 0.9302208417060783
Energy: 1.063772030271704
Energy: 1.1794545229641016
Energy: 1.1317270737587244
Energy: 1.0062269075901684
Energy: 0.8632325347028654
Energy: 1.063523429906595
Energy: 1.0794915648029386
Energy: 1.073034846997004
Energy: 1.0834327858240338
Energy: 1.0837662554153515
Energy: 1.0743879393523081
Energy: 1.0780533774404741
Energy: 1.0646491766566335
Energy: 1.0705740320479236
Energy: 1.0711987562059802
Energy: 1.072852987326469
Energy: 1.124450441403523
Energy: 0.945702644962796
Energy: 0.9286949330192769
Energy: 1.0829317570483832
Energy: 1.058717719846462
Energy: 1.1248579548540798
Energy: 0.8594321495568732
Energy: 0.8147006359134453
Energy: 1.0895461623972968
Energy: 1.0593047260185546
Energy: 1.0405617052196658
Energy: 0.9316697246299449
Energy: 0.9274941050424246
Energy: 0.9620907455080859
Energy: 0.9278262623593971
Energy: 0.9786638601367577
Energy: 0.8686377940800015
Energy: 0.8574230549541986
Energy: 0.9769497993742565
Energy: 1.0043450114528836
Energy: 1.0533923123798612
Energy: 0.9249758310454392
Energy: 0.9351575158062043
Energy: 0.930936651730982
Energy: 0.9402294973316322
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Energy: 0.9414152623082721
Energy: 0.995491038168425
Energy: 0.8919015156072008
Energy: 0.9290158416140875
Energy: 1.027325401034676
Energy: 0.8646803775065479
Energy: 0.9800119801020176
Energy: 1.1127731238211378
Energy: 1.0760379655082053
Energy: 1.1215952176338224
Energy: 0.8682323442157764
Energy: 0.8074310733963836
Energy: 1.1606075388232946
Energy: 1.0819116687001422
Energy: 1.0947840640583006
Energy: 0.9808609974057814
Energy: 1.0290658079337274
Energy: 1.072197834235752
Energy: 1.0296519358095368
Energy: 0.8799386005019301
Energy: 0.9721191966964096
Energy: 1.0311142362677927
Energy: 1.0688075128731354
Energy: 1.080799792891996
Energy: 0.9143768387152124
Energy: 0.8652552134536265
Energy: 1.1251782124227812
Energy: 1.0623133666285407
Energy: 1.1156068387889586
Energy: 0.876955308186742
Energy: 0.8675606448562594
Energy: 1.1252045685992664
Energy: 1.0587997182878788
Energy: 1.196183968964879
Energy: 1.3369058945697057
Energy: 1.064624981438628
Energy: 1.0768449325514298
Energy: 1.0630587692390079
Energy: 1.0507598742079987
Energy: 1.0526098143064955
Energy: 1.0659708427411236
Energy: 1.0773658453797046
Energy: 1.0778932384696343
Energy: 1.0785551679035188
Energy: 0.8712084830946757
Energy: 1.0743969773379074
Energy: 1.0809350534915843
Energy: 1.1255455741516571
Energy: 0.8606415970007968
Energy: 0.7752301840922318
Energy: 1.0673961380145032
Energy: 1.0780828883312532
Energy: 1.1348767882928068
Energy: 0.8659997171780045
Energy: 0.8086819663831208
Energy: 1.0876598004761608
Energy: 0.9295270566643358
Energy: 0.9349567347205874
Energy: 0.8593871828590924
Energy: 0.8920606574111252
Energy: 0.9289760507816609
Energy: 0.9317945236777225
Energy: 0.876188687767056
Energy: 0.9772259168782484
Energy: 0.8793737355472746
Energy: 0.896895906126141
Energy: 0.8945851027382765
Energy: 0.8738880159954537
Energy: 0.8762807022651847
Energy: 0.8745918378750236
Energy: 0.9287836294794249
Energy: 0.8962787281224851
Energy: 0.9761546052145958
Energy: 0.8759186313106722
Energy: 1.1468638042986588
Energy: 1.080518989418709
Energy: 1.0454779849048386
Energy: 1.0852738718006092
Energy: 0.8554532670361242
Energy: 1.0538186039507564
Energy: 1.0976596653798727
Energy: 1.0866215810416566
Energy: 0.9830344985730582
Energy: 0.8812309785221663
Energy: 1.0659119195883175
Energy: 1.0304303350888564
Energy: 1.080934035667424
Energy: 0.9420003529379863
Energy: 1.0694926366108146
Energy: 1.0670864407113725
Energy: 1.0307647250927683
Energy: 1.0887717924303506
Energy: 1.0254739593318558
Energy: 1.0190875997212883
Energy: 1.0801517885997187
Energy: 1.1160454494231915
Energy: 1.0187474165760937
Energy: 0.8618544532493649
Energy: 1.0399990654104339
Energy: 1.082256880212367
Energy: 1.11943169094646
Energy: 0.8668755719225949
Energy: 0.9300481495100856
Energy: 1.1950430831937988
Energy: 1.1641918677942769
Energy: 1.0616870440093973
Energy: 1.0074189493955739
Energy: 0.8906546444072222
Energy: 1.07433406674608
Energy: 1.0807502524343044
Energy: 1.0628663210974698
Energy: 0.8924086689640832
Energy: 1.0254231039558466
Energy: 1.0729466193941075
Energy: 1.1226240914661083
Energy: 0.9379606210768328
Energy: 0.8141846916750463
Energy: 1.1216409509159289
Energy: 1.0258660239545065
Energy: 1.1222229520251559
Energy: 0.9459370954973269
Energy: 0.8168778274325912
Energy: 1.0888518258359074
Energy: 1.0593652428305314
Energy: 0.9724105141887075
Energy: 0.8644842327500789
Energy: 0.9249938144151045
Energy: 0.9642653082076886
Energy: 0.9312559602466097
Energy: 1.008204912625961
Energy: 0.8928587941411914
Energy: 0.8579198322235337
Energy: 0.9243498848219521
Energy: 0.9387655105683617
Energy: 0.9306022112877714
Energy: 0.925253360119915
Energy: 0.85959777038275
Energy: 0.9278404761535858
Energy: 0.9387575370408268
Energy: 0.9319652361580693
Energy: 0.9309481729834742
Energy: 0.9422100592303934
Energy: 0.8738897153350266
Energy: 0.9966993658047666
Energy: 1.0483174581944643
Energy: 0.9329609672340649
Energy: 0.8682988062776889
Energy: 1.1129184042552007
Energy: 1.0458119889010895
Energy: 1.0459243685872541
Energy: 0.8094641690937316
Energy: 0.9321785108066597
Energy: 1.138326641779129
Energy: 1.0534700009916704
Energy: 1.108450491977914
Energy: 1.0211485258429238
Energy: 1.0497657931181985
Energy: 1.0792511053642588
Energy: 1.0828080017532218
Energy: 1.0135673596995645
Energy: 1.044739380221087
Energy: 0.9608038059384478
Energy: 1.031462461414054
Energy: 1.0646763421339256
Energy: 0.9146182602954536
Energy: 0.971834761740008
Energy: 1.0981611583136581
Energy: 1.0313178636531004
Energy: 0.9956064871716702
Energy: 0.8083460355462287
Energy: 0.8059890306822793
Energy: 1.10367830130418
Energy: 1.031324190383208
Energy: 1.1062836895827637
Energy: 1.1375842289490126
Energy: 1.0293509698321555
Energy: 1.0545061329629732
Energy: 1.0260495047407527
Energy: 1.0509078028317231
Energy: 1.051602194594631
Energy: 1.0277150060044407
Energy: 1.0531037518114608
Energy: 1.0511866173791036
Energy: 1.0314699544162989

minimum gb energy = 0.7752301840922318 eV
minimum distance =  2.45472120920127 Angstroms
sigma value = 75


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

Energy: 1.9068853269083048
Energy: 1.1782663039062118
Energy: 1.0045446083143608
Energy: 1.0158627074148465
Energy: 1.1322381842138405
Energy: 0.9898690474489051
Energy: 1.1498001879158886
Energy: 1.0108443023880724
Energy: 1.019647826177967
Energy: 1.1484940886111974
Energy: 1.0654538843219998
Energy: 0.9462859825069025
Energy: 0.9544136367890727
Energy: 1.0179229929763582
Energy: 0.948763371094741
Energy: 0.9744443461686536
Energy: 0.9358445156172424
Energy: 0.9767286098105266
Energy: 1.0169599669584362
Energy: 0.9547708426782272
Energy: 1.0740229957911347
Energy: 1.068471958753333
Energy: 1.018600591818788
Energy: 1.0223503222873584
Energy: 1.0386732993819663
Energy: 0.9733454943294898
Energy: 1.0711644627923629
Energy: 1.0453616103406222
Energy: 1.0639568469115437
Energy: 1.038000227807174
Energy: 0.9481715637204704
Energy: 0.9449053139871374
Energy: 0.953014910311896
Energy: 0.9742107867565015
Energy: 1.0435571199768463
Energy: 0.9502593580400628
Energy: 0.943108117230155
Energy: 0.9370290106327724
Energy: 1.0215692239894585
Energy: 1.0419374668739068
Energy: 0.9478465534323613
Energy: 0.9754080863445097
Energy: 0.9639550734765673
Energy: 0.9510048089493477
Energy: 0.939516900398436
Energy: 0.9468876911694732
Energy: 0.9836421787289963
Energy: 1.1388573860918885
Energy: 1.013379009664922
Energy: 0.974248629372713
Energy: 0.9743358147880906
Energy: 0.973031013903063
Energy: 1.1533661223800975
Energy: 1.025808832274454
Energy: 1.0149638707233215
Energy: 0.9936761158242883
Energy: 1.0127864389527061
Energy: 0.9603412251006052
Energy: 1.04498223968901
Energy: 0.992117810833043
Energy: 0.9503910172025368
Energy: 1.0393552769579009
Energy: 0.9506886788965012
Energy: 0.9687357038273455
Energy: 1.036581229548894
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Energy: 1.0089673489544442
Energy: 0.9474332043531168
Energy: 0.9933470036631081
Energy: 0.9926456591142195
Energy: 1.0413232854263286
Energy: 1.0297482132747506
Energy: 1.239424610405293
Energy: 1.2254994140493243
Energy: 0.9434924504256362
Energy: 1.043377197443106
Energy: 1.0554986746371127
Energy: 1.1433111929867483
Energy: 1.2256228899732045
Energy: 0.9850228405333539
Energy: 1.0409131800338733
Energy: 1.0217317604575906
Energy: 0.9367868793401958
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Energy: 0.9492662607888792
Energy: 1.039681061736024
Energy: 0.9657748140903423
Energy: 1.0197543169449328
Energy: 0.9464265676297444
Energy: 0.9998213255844326
Energy: 0.9475619201628321
Energy: 1.01773755764901
Energy: 0.9947935331798553
Energy: 1.1791063120835874
Energy: 1.0775442805328008
Energy: 0.9602594401715518
Energy: 0.993262840752883
Energy: 1.0027036857158387
Energy: 1.2063497820068134
Energy: 1.0517524225917068
Energy: 1.0657239401328085
Energy: 0.9838449869457122
Energy: 0.9805881403237526
Energy: 1.0035493052659623
Energy: 1.062370291169307
Energy: 1.0413013401960904
Energy: 0.9739354809637685
Energy: 0.9763022093861036
Energy: 1.019477786345058
Energy: 1.0686794744430204
Energy: 0.9483361708193987
Energy: 0.9443959280276498
Energy: 1.1043657396240534
Energy: 0.9852130744795027
Energy: 1.0246287057113228
Energy: 1.0104179032574927
Energy: 0.9887815260845471
Energy: 1.0957446535117459
Energy: 0.9443308245524092
Energy: 1.0604235989009445
Energy: 0.9790166473828515
Energy: 1.045426911199608
Energy: 1.036082249296159
Energy: 1.0133552406835287
Energy: 1.040206094536665
Energy: 0.9508563575019786
Energy: 1.038925371379307
Energy: 1.08254675302883
Energy: 1.0011362572895999
Energy: 1.0468144765238163
Energy: 1.0011484616438087
Energy: 0.981281171006782
Energy: 0.9538057630449857
Energy: 0.9504736247660633
Energy: 1.021089538923967
Energy: 0.945754274792759
Energy: 0.947200621272627
Energy: 0.9895195830298918
Energy: 0.947990918097852
Energy: 0.9594452302669741
Energy: 1.0970438056441039
Energy: 1.13346386832816
Energy: 1.0060487025401912
Energy: 1.0007163041279628
Energy: 1.2084602091830752
Energy: 1.047440615918949
Energy: 0.9769238374287403
Energy: 0.9811487925473266
Energy: 0.9950089795568599
Energy: 1.2431618709225443
Energy: 1.0713778964445158
Energy: 1.024276909455733
Energy: 0.9964200150908472
Energy: 0.9927751744752998
Energy: 0.9593717818680229
Energy: 1.0519649455247733
Energy: 1.0268439176807773
Energy: 0.9889019307770159
Energy: 0.9686314244436124
Energy: 1.0124504468954831
Energy: 1.0352788583618693
Energy: 0.9488251959931582
Energy: 0.9522635465526886
Energy: 1.031704409979364
Energy: 1.0521215878611574
Energy: 1.0313224283320555
Energy: 0.9484461953507384
Energy: 0.9822909913668381
Energy: 0.9787278753945996
Energy: 1.0167152666786814
Energy: 1.0407335788961116
Energy: 1.0328098291895011
Energy: 1.0839310987788053
Energy: 1.0873207774524454
Energy: 0.9786222555370545
Energy: 1.0642372583550441
Energy: 1.0263489740118288
Energy: 1.0334648814746787
Energy: 1.1209322837986413
Energy: 0.9916846215425119
Energy: 1.000572174291437
Energy: 0.9916755692483555
Energy: 0.9467964699899178
Energy: 1.0231542080160483
Energy: 0.9527726543047002
Energy: 0.9602801101606998
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minimum gb energy = 0.9269785598254559 eV
minimum distance =  2.53141790476452 Angstroms
sigma value = 105


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

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Energy: 0.9882924737982212
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Energy: 1.0257505271152745
Energy: 1.034867567884767
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Energy: 1.014947976940652
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Energy: 1.0018563648872543
Energy: 1.0053203399705075
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Energy: 1.0410650714383558
Energy: 1.01608068148066
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Energy: 1.0108677306859357
Energy: 1.0563644158569563
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Energy: 1.0575756007671295
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Energy: 1.0870605317059379
Energy: 1.058483344192714
Energy: 1.0400253504009067
Energy: 1.0585224145612973
Energy: 1.0439874951140196
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Energy: 1.0579267323402808
Energy: 1.0617091133818537
Energy: 1.0584882832700664
Energy: 1.0373712876997516
Energy: 1.0902210950789557
Energy: 1.0864280866861835
Energy: 1.0568146678490045
Energy: 1.0569601311459305
Energy: 1.0570419243841873
Energy: 1.0577199470869652
Energy: 1.046385862628924
Energy: 1.0550268332164867
Energy: 0.9914939147243774
Energy: 1.0610587238662448
Energy: 1.0885713648171553
Energy: 1.0919307893748975
Energy: 1.0590982616775912
Energy: 1.0881529666273873
Energy: 1.0564191698543817
Energy: 1.056459500769232
Energy: 1.0442547789387295
Energy: 1.0801843449922508
Energy: 1.072050911179687
Energy: 1.097024288262919
Energy: 1.040229112335957
Energy: 1.0878002519330623
Energy: 1.0059906905188032
Energy: 1.0573487055263602
Energy: 1.0625910908991287
Energy: 1.0005310148195425
Energy: 1.0477379520916366
Energy: 0.9631459108309852
Energy: 1.0544936783912706
Energy: 1.0543053928676795
Energy: 1.0414041982258622
Energy: 1.017393200233693
Energy: 1.0151081969487867
Energy: 1.0621029359453025
Energy: 1.0454861229707686
Energy: 0.9859162892215443
Energy: 1.0579468874315086
Energy: 1.0135876036333793
Energy: 1.055311932481454
Energy: 1.0539356135524305
Energy: 1.0234379062996974
Energy: 1.0208156971610312
Energy: 1.0573108646117406
Energy: 1.04609444576237
Energy: 1.0561995503313362
Energy: 1.0571204886481176
Energy: 1.0048989089072062
Energy: 1.0571125238814874
Energy: 1.062881885015145
Energy: 1.0559356159219626
Energy: 1.0976876078949296
Energy: 1.0562404243044052
Energy: 1.0237432015854593
Energy: 1.0041879695872862
Energy: 1.0100863533087356
Energy: 1.0446954151193188
Energy: 0.9649512543556745
Energy: 1.009405099234023
Energy: 1.0101711912936446
Energy: 1.003434543675962
Energy: 1.0552525205003571
Energy: 1.0331170967274923
Energy: 1.000844437742776
Energy: 1.010728170568348
Energy: 1.0003870077681978
Energy: 1.0065649032422608
Energy: 1.0028726699473018
Energy: 1.0016679260038344
Energy: 1.0064272661196159
Energy: 1.0012403310510094
Energy: 1.0722068587938585

minimum gb energy = 0.9496963411307267 eV
minimum distance =  2.48923635498273 Angstroms
sigma value = 165


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

Energy: 1.39528660999305
Energy: 0.9800481013096496
Energy: 0.9930507714214126
Energy: 1.036008350638087
Energy: 0.9382735302450825
Energy: 1.3091218708075854
Energy: 0.9927428944005218
Energy: 0.9979317782146824
Energy: 1.041677197600008
Energy: 0.9789315198757793
Energy: 1.0338162802344575
Energy: 1.0459799248914738
Energy: 1.031917839134667
Energy: 1.0310090976909665
Energy: 1.022965130410686
Energy: 1.006083364488781
Energy: 0.97777661607372
Energy: 1.0402408040610553
Energy: 1.0392287601390735
Energy: 1.0830498830358974
Energy: 1.0314420591022224
Energy: 1.0476694988644946
Energy: 0.9902887238742744
Energy: 1.035783270066355
Energy: 1.0319574200236918
Energy: 0.9779578644669816
Energy: 0.9940226594610811
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Energy: 1.0753099089459592
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Energy: 1.0313598796145282
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Energy: 0.9744511387123794
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Energy: 1.0751748673166828
Energy: 1.0697544301586581
Energy: 0.9367407638710608
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Energy: 1.0744619498746484
Energy: 1.021330281218129
Energy: 0.9392576204201328
Energy: 0.9736294337310143
Energy: 1.0312396857718222
Energy: 1.068717234300574
Energy: 1.0191852894948097
Energy: 1.0506265297676511
Energy: 0.986325257591651
Energy: 1.0719783716434919
Energy: 1.0747766340653402
Energy: 1.0515419712395244
Energy: 1.052678040172526
Energy: 0.9893007550240466
Energy: 1.0669027997153824
Energy: 1.0733991363504238
Energy: 1.0637520519642474
Energy: 1.083212462182947
Energy: 1.0725734237844982
Energy: 0.9887199302135148
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Energy: 1.03026091078259
Energy: 1.0752854704864505
Energy: 1.0529043940470002
Energy: 1.0118814775399805
Energy: 1.0353872322007263
Energy: 1.0783313190695227
Energy: 1.0375781585072117
Energy: 1.0715826210342285
Energy: 1.029918275988932
Energy: 0.9743966551796426
Energy: 0.9946904269209189
Energy: 1.0422237311285594
Energy: 1.0223219058730006
Energy: 1.0405870976905573
Energy: 1.0407553266590484
Energy: 1.0383150022045728
Energy: 1.0477537193127606
Energy: 0.9948313732487467
Energy: 0.9743917267123865
Energy: 0.9752327112368526
Energy: 0.9913615049387747
Energy: 1.0330276110234784
Energy: 1.0236575195204143
Energy: 1.0452009795499277
Energy: 1.049002758538316
Energy: 1.0035939898187887
Energy: 0.9732628955333567
Energy: 1.009652719556577
Energy: 1.0324903183628436
Energy: 0.9858312037408701
Energy: 0.972476123315934
Energy: 1.0219442645024794
Energy: 1.0262253253335951
Energy: 1.0087526771129036
Energy: 0.986072460992645
Energy: 0.9815858562875523
Energy: 0.9782487966363989
Energy: 1.038762837469768
Energy: 1.0379219128000543
Energy: 0.9929856686628399
Energy: 1.0035274183445235
Energy: 0.9962885276822961
Energy: 1.0209988040282667
Energy: 1.042225988055717
Energy: 1.00254509290175
Energy: 1.0509177849648523

minimum gb energy = 0.9367407638710608 eV
minimum distance =  2.52417819157561 Angstroms
sigma value = 41


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

Energy: 0.970404824520954
Energy: 0.8774255527983249
Energy: 0.873285156408123
Energy: 0.8700393483321287
Energy: 0.8539030014739728
Energy: 1.2368374801709507
Energy: 0.8803676691982081
Energy: 0.8764184247506174
Energy: 0.8887704249020868
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Energy: 0.9421709889825997
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Energy: 0.9101807724457672
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Energy: 0.9065999097433999
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Energy: 0.9123888671153093
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Energy: 0.9387866824842956
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Energy: 0.9548635142237998
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Energy: 0.9098360253841615
Energy: 0.9293377847681964
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Energy: 0.9110043728286289
Energy: 0.9119036245708582
Energy: 0.9120850627166301
Energy: 0.9204937840257819
Energy: 0.9114589656485994
Energy: 0.8725200181789488
Energy: 0.9596404266986722
Energy: 0.9372321251698461
Energy: 0.9194487229524954
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Energy: 0.8966860589052783
Energy: 0.9115375322710723
Energy: 0.9208363687379011
Energy: 0.9099194975221551
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Energy: 0.8914297088894795
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Energy: 0.9221573212953916
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Energy: 0.8927196045678867
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Energy: 0.8976387489054759
Energy: 0.8897969818906575
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Energy: 0.9141172426323033
Energy: 0.8782226567753911
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Energy: 0.9107873399364251
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Energy: 0.8780914024936464
Energy: 0.93417922074017
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Energy: 0.9009212612989684
Energy: 0.9040904109232413
Energy: 0.9018495267652069
Energy: 0.9338023611682349
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Energy: 0.9009203743567792
Energy: 0.8893797219603526
Energy: 0.8990969408423191
Energy: 0.9139981814355934
Energy: 0.9136120519685016
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Energy: 0.8867595767409636
Energy: 0.9117570603732998
Energy: 0.9540671079286664
Energy: 0.8653007642544316
Energy: 0.8637179106404197
Energy: 0.8867469838522017
Energy: 0.8933296201103859
Energy: 0.9062949751631153
Energy: 0.8807205036138687
Energy: 0.8846614792721695
Energy: 0.8628863294707732
Energy: 0.8670907401770571
Energy: 0.8818534810468203
Energy: 0.8767294177763619
Energy: 0.8699529517180576
Energy: 0.8765702764592836
Energy: 0.8675774358498752
Energy: 0.9156131400486052
Energy: 0.8744502350437666
Energy: 0.890196039391682
Energy: 0.8845936158504789
Energy: 0.8823658375502588
Energy: 0.9649530187935911
Energy: 0.8858803963885804
Energy: 0.8826230451245541
Energy: 0.8716361751418253
Energy: 0.8893009721166575
Energy: 0.9176720374563354
Energy: 0.8877246964704925
Energy: 0.8893361751697436
Energy: 0.8915919505979875
Energy: 0.897090511011007
Energy: 0.8944107675940915
Energy: 0.8898561807682643
Energy: 0.8924215307505808
Energy: 0.9269416034425992
Energy: 0.9272552202026276
Energy: 0.8710083686298348
Energy: 0.8767527056604183
Energy: 0.8794520962454765
Energy: 0.9111165316435312

minimum gb energy = 0.8539030014739728 eV
minimum distance =  2.54386072804144 Angstroms
sigma value = 185


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

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Energy: 0.6608779618927392
Energy: 0.6525457263181161
Energy: 0.41334827001839464
Energy: 0.6219808842383322
Energy: 0.6483980208587004
Energy: 0.40260429887462607
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Energy: 0.7462959055931568
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Energy: 0.4126718344891657
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Energy: 0.39436042128008747
Energy: 0.5412323620677638
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Energy: 0.3932280529039362
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Energy: 0.4793622585678376
Energy: 0.5185014998630848
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Energy: 0.7123541620863247
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Energy: 0.6563506731775769
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Energy: 0.3932026526672142
Energy: 0.39415959049175714
Energy: 0.5901633234083858
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Energy: 0.7011657518819794
Energy: 0.490251876984406
Energy: 0.6067006354440625
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Energy: 0.695419058801607
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Energy: 0.7722944075038506
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Energy: 0.598116269322913
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Energy: 0.839643288357502
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Energy: 0.5666217002773699
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Energy: 0.39370847796162073
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Energy: 0.6681152807586591
Energy: 0.5950440793703137
Energy: 0.5130621603743194
Energy: 0.398203496616122
Energy: 0.5021257995150581
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Energy: 0.5733000330459691
Energy: 0.4126409646529829
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Energy: 0.43950074120821475
Energy: 0.6394431822672021
Energy: 0.6452033054049039
Energy: 0.41192887237863074
Energy: 0.6872293247686929
Energy: 0.5744759972928799
Energy: 0.40198825420773904
Energy: 0.6491399133094202
Energy: 0.5613532769395008
Energy: 0.6046516077536562
Energy: 0.5088818059645767
Energy: 0.7215767387980259
Energy: 0.5906435730509885
Energy: 0.6865936760458292
Energy: 0.6848068817793038
Energy: 0.5795920910133093
Energy: 0.49733980789174015
Energy: 0.591690992180348
Energy: 0.492271821800319
Energy: 0.5795771510833324
Energy: 0.6436502630108869
Energy: 0.5717351352106645
Energy: 0.4127309572177144
Energy: 0.5732305796846406
Energy: 0.39346559173697904
Energy: 0.5027524112751605
Energy: 0.6544587309517255
Energy: 0.6369715982696158
Energy: 0.7935479401767545
Energy: 0.5970916789308894
Energy: 0.48659459007607453
Energy: 0.4020709554569707
Energy: 0.7057963075410466
Energy: 0.6244470298101871
Energy: 0.412388473554563
Energy: 0.5838275360212171
Energy: 0.40171308209782663
Energy: 0.7925877152683

minimum gb energy = 0.39269275616533006 eV
minimum distance =  2.51666512180417 Angstroms
sigma value = 33


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

Energy: 0.8350880251377398
Energy: 0.8207460363236387
Energy: 0.8461249283783874
Energy: 0.8430674675901628
Energy: 0.7987326030775371
Energy: 0.7961563478248974
Energy: 0.8149433148750967
Energy: 0.8411717225089307
Energy: 0.8288861038527724
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Energy: 0.8240979049878081
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Energy: 0.8244864098114408
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Energy: 0.8263823602556832
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Energy: 0.8400453662969706
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Energy: 0.8319181131839483
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Energy: 0.8178626363593692
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Energy: 0.8499745234927587
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Energy: 0.8083451946431152
Energy: 0.8035680031962441
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Energy: 0.8312819751647015
Energy: 0.8581922715655553
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Energy: 0.8099022662459585
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Energy: 0.810442745868091
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Energy: 0.8328522556184326
Energy: 0.8327173418970559
Energy: 0.8068905426777968
Energy: 0.80725100828661
Energy: 0.8103411383591723
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Energy: 0.8280266551993245
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Energy: 0.8109914934792567
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Energy: 0.8065959067859274
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Energy: 0.8244019415001704
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Energy: 0.8207082775660015
Energy: 0.8258382001889017
Energy: 0.8321058739164453
Energy: 0.8467421627636555
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Energy: 0.8226036930817375
Energy: 0.8170589687077443
Energy: 0.8364733150937298
Energy: 0.853158482271283
Energy: 0.802738853183636
Energy: 0.8269974162746402
Energy: 0.8423306279495314
Energy: 0.8204951050709778
Energy: 0.819722305657015
Energy: 0.8035637156184945
Energy: 0.8236200708885816
Energy: 0.8755815612352029
Energy: 0.817326796872131
Energy: 0.8181089802838076
Energy: 0.8109009654188901
Energy: 0.8097998543721397
Energy: 0.85701455846428
Energy: 0.8416976603811942
Energy: 0.8146449633243721
Energy: 0.8035544841854075
Energy: 0.8001934583273016
Energy: 0.8684676790067689
Energy: 0.8167417375984204
Energy: 0.8183230235103373
Energy: 0.8016705678256503
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Energy: 0.8394640058870333
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Energy: 0.8322755579514883
Energy: 0.8155336449888492
Energy: 0.8206744469595569
Energy: 0.840573320174064
Energy: 0.8276892202516348

minimum gb energy = 0.7955275112616449 eV
minimum distance =  2.52515584575918 Angstroms
sigma value = 219


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

Energy: 1.5193208380017957
Energy: 1.0396666868394808
Energy: 1.0690636389386252
Energy: 1.0459199975122169
Energy: 1.031430374635663
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Energy: 1.0365706488644992
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Energy: 1.0377431398999877
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Energy: 1.067099393507378
Energy: 1.0355018412198562
Energy: 1.0463326220233344
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Energy: 1.0412847438808932
Energy: 1.06231562437698
Energy: 1.040088206898001
Energy: 1.062080029279668
Energy: 1.0682604972969492
Energy: 1.0400303492770746
Energy: 1.0389285460742552
Energy: 1.0354508261042188
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Energy: 1.0677321524468664
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Energy: 1.0391815443085841
Energy: 1.0419965190587528
Energy: 1.036828688383605
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Energy: 1.0369240491719045
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Energy: 1.0278626070926324
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Energy: 1.0385044223460385
Energy: 1.062783086914593
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Energy: 1.0515460479441368
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Energy: 1.0617952006088696
Energy: 1.0382248320150829
Energy: 1.0427092148248593
Energy: 1.0378212831596625
Energy: 1.0391531054196363
Energy: 1.036981780883371
Energy: 1.0407746596324317
Energy: 1.0433189364209374
Energy: 1.0357574406276633
Energy: 1.0651465821655803
Energy: 1.0548417748582672
Energy: 1.0384724284564173
Energy: 1.0378400888296513
Energy: 1.0350342364933984
Energy: 1.0419464530186493
Energy: 1.0389790522959834
Energy: 1.0372765618858495
Energy: 1.0384470501327203
Energy: 1.03419237467472
Energy: 1.0677722797751037
Energy: 1.0525482666074029
Energy: 1.0390598090612717
Energy: 1.0323255200140862
Energy: 1.0526468924429209
Energy: 1.0380646660696142
Energy: 1.0377688692945544
Energy: 1.0383476468462252
Energy: 1.033920097965879
Energy: 1.0529854549310564
Energy: 1.0374756843591457
Energy: 1.0393452302203952
Energy: 1.0375145540353088

minimum gb energy = 1.0276133901887092 eV
minimum distance =  2.53399642974191 Angstroms
sigma value = 15


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

Energy: 1.7585756138162747
Energy: 1.1624345305517378
Energy: 1.1852313519335094
Energy: 1.1795911069175904
Energy: 1.1790963493826714
Energy: 1.1375748243860404
Energy: 1.1664991767368744
Energy: 1.1799702119064417
Energy: 1.1807714991289189
Energy: 1.175804068007621
Energy: 1.1699447333079205
Energy: 1.1550534362270608
Energy: 1.164196897561722
Energy: 1.169249452647619
Energy: 1.1587619864696044
Energy: 1.2122270772638002
Energy: 1.1551398109520903
Energy: 1.1621586416746674
Energy: 1.163132488729277
Energy: 1.1616968204980758
Energy: 1.1910357585058182
Energy: 1.1558856148853722
Energy: 1.1676998028139658
Energy: 1.1605609156143044
Energy: 1.1627958045919784
Energy: 1.1951073379841697
Energy: 1.1555630747844738
Energy: 1.1685514920903552
Energy: 1.1917239877367913
Energy: 1.1759708046624975
Energy: 1.1480576717464261
Energy: 1.2013668868921117
Energy: 1.1486894014497069
Energy: 1.1910526669904782
Energy: 1.132350259336004
Energy: 1.1480411662698333
Energy: 1.136600776335624
Energy: 1.1342062368382104
Energy: 1.1592195674368704
Energy: 1.1298484230241386
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minimum gb energy = 1.1274416370820832 eV
minimum distance =  2.50137189055349 Angstroms
sigma value = 293


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

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Energy: 1.1580283680360348
Energy: 1.1358012759105174
Energy: 1.221708466092368
Energy: 1.189763892605838
Energy: 1.1788330546305215
Energy: 1.1596741923684304
Energy: 1.1489751312899255
Energy: 1.177912231056798
Energy: 1.189361275580626
Energy: 1.179767777711592
Energy: 1.1592320634680362
Energy: 1.148549486105392
Energy: 1.1774915464120947
Energy: 1.4210102808240692
Energy: 1.1608585699306482
Energy: 1.1493045687616243
Energy: 1.160084290560025
Energy: 1.1752078829515074
Energy: 1.0982262094171147
Energy: 1.1617329517449435
Energy: 1.1483497439974082
Energy: 1.162204734220079
Energy: 1.1653379008397764
Energy: 1.1837524810664277
Energy: 1.133046079957374
Energy: 1.1453767762072815
Energy: 1.1493571235221047
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Energy: 1.1589318621081874
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Energy: 1.1284446310414495
Energy: 1.1042410189061262
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Energy: 1.1536788218763587
Energy: 1.1418126847985846
Energy: 1.103959775100608
Energy: 1.1432007780071107
Energy: 1.1498400166082403
Energy: 1.1345394051939763
Energy: 1.141639144542645
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Energy: 1.1314188605766347
Energy: 1.15086733096505
Energy: 1.1457697775641882
Energy: 1.1421788382525888
Energy: 1.1574592175401552
Energy: 1.160921268638297
Energy: 1.1528056480466555
Energy: 1.148065441833232
Energy: 1.1283630460317178
Energy: 1.1242271026835806
Energy: 1.1689969237773814
Energy: 1.1483696125065466
Energy: 1.1606075357110124
Energy: 1.128384768225051
Energy: 1.1397991472510904
Energy: 1.1691064442465038
Energy: 1.1492836159474316
Energy: 1.1509396301221893
Energy: 1.1760888056719019
Energy: 1.178685614334694
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Energy: 1.1937067117292046
Energy: 1.1850470992443438
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Energy: 1.1505106981174347
Energy: 1.1789764444456183
Energy: 1.1790333077833988
Energy: 1.1769201583276583
Energy: 1.1354098447555105
Energy: 1.1652174155901225
Energy: 1.1342343985698287
Energy: 1.1778173219859156
Energy: 1.1776752979149772
Energy: 1.1713748213485677
Energy: 1.2124988171803504
Energy: 1.3137202751794594
Energy: 1.1461027981931133
Energy: 1.1887716478657049
Energy: 1.1860952331355907
Energy: 1.1338674261981363
Energy: 1.1513560619765317
Energy: 1.1454330503992796
Energy: 1.153982090032312
Energy: 1.176558939744412
Energy: 1.1336369975319012
Energy: 1.1471444214261857
Energy: 1.1593834396923026
Energy: 1.0967591701014698
Energy: 1.0959005378764262
Energy: 1.1546507000758595
Energy: 1.1467529760604973
Energy: 1.1686856446659692
Energy: 1.1244275029175816
Energy: 1.0957510964363069
Energy: 1.1551015191780516
Energy: 1.1501329984352404
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Energy: 1.135710054930865
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Energy: 1.1609850385291072
Energy: 1.1444754076654775
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Energy: 1.133566786036619
Energy: 1.1513757089893837
Energy: 1.1425488804862045
Energy: 1.1541171910844437
Energy: 1.182856254959409
Energy: 1.1331331981116872
Energy: 1.1517722723251758
Energy: 1.1428363489381352
Energy: 1.154518617012108
Energy: 1.1623469756497726
Energy: 1.1520798492170392
Energy: 1.103683133683423
Energy: 1.1581597804940615
Energy: 1.145515266132084
Energy: 1.1542110062190782
Energy: 1.1717214815186612
Energy: 1.1661057266370771
Energy: 1.1538059927669218
Energy: 1.1705880562464648
Energy: 1.1836462839834587
Energy: 1.4235561084145725
Energy: 1.1915912454602833
Energy: 1.1488383491024534
Energy: 1.1335287907192662
Energy: 1.1840101201761306
Energy: 1.1036968547818686
Energy: 1.1889174145481531
Energy: 1.1493135405585555
Energy: 1.1425109680151462
Energy: 1.1861235615634067
Energy: 1.1012699895712583
Energy: 1.1576469914023901
Energy: 1.150971702095228
Energy: 1.1407930189682998
Energy: 1.1774707257792587
Energy: 1.1366315383914831
Energy: 1.1507693973513335
Energy: 1.1504059084497942
Energy: 1.1343957496893826
Energy: 1.1800194971038929
Energy: 1.1764771469896056
Energy: 1.1501312996461739
Energy: 1.1695440084109423
Energy: 1.1705052179448063
Energy: 1.1407940267181425
Energy: 1.128978408517741
Energy: 1.1520994882304307
Energy: 1.1714203304139135
Energy: 1.1696359236144172
Energy: 1.1276485381732608
Energy: 1.1290277725827729
Energy: 1.1502322320283354
Energy: 1.1914599102145063
Energy: 1.1317229583131916
Energy: 1.1583045408011055
Energy: 1.177021312768113
Energy: 1.1849091287009723
Energy: 1.1933480039373157
Energy: 1.1767135519329412
Energy: 1.1521450290556623
Energy: 1.176992693009686
Energy: 1.1580391434649369
Energy: 1.1355419507780187
Energy: 1.15511678740936
Energy: 1.1361906578144672
Energy: 1.144091906048162
Energy: 1.1615234409339614
Energy: 1.157657182275045
Energy: 1.1403189658442274
Energy: 1.1359693884409634
Energy: 1.1447618374294437
Energy: 1.0973710572571436
Energy: 1.203078461455469
Energy: 1.1592534570204218
Energy: 1.1510566947602547
Energy: 1.1972861825660215
Energy: 1.1700201575336873
Energy: 1.1673126379200014
Energy: 1.1587745096037632
Energy: 1.1496742014752592
Energy: 1.1547594417476237

minimum gb energy = 1.0957510964363069 eV
minimum distance =  2.50878580732497 Angstroms
sigma value = 293


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

Energy: 1.0873154953318105
Energy: 1.10327624275168
Energy: 1.171096144940366
Energy: 1.103812424587783
Energy: 1.0842052994226896
Energy: 1.085451462222996
Energy: 1.1038862956070994
Energy: 1.170886729527567
Energy: 1.1034367998911452
Energy: 1.0845190899091932
Energy: 1.1566342111185293
Energy: 1.094974967710408
Energy: 1.0939167138520278
Energy: 1.0925202044951976
Energy: 1.0961351204392864
Energy: 1.154654425023904
Energy: 1.0958735849260035
Energy: 1.083952720898729
Energy: 1.0937482034128878
Energy: 1.1058819417020385
Energy: 1.0960101200867147
Energy: 1.0960775068369029
Energy: 1.0964155415383054
Energy: 1.1037768649878656
Energy: 1.1589736983383443
Energy: 1.094559372925942
Energy: 1.0947546044883807
Energy: 1.0955615396312415
Energy: 1.1727963679947457
Energy: 1.1591787924859123
Energy: 1.1736531129440495
Energy: 1.0835449481572133
Energy: 1.0833483653078215
Energy: 1.0950474511669854
Energy: 1.174144019203382
Energy: 1.172669466680987
Energy: 1.083897077551396
Energy: 1.084243613951438
Energy: 1.0950591020369842
Energy: 1.0877436681074362
Energy: 1.0968474936667982
Energy: 1.0879208187109957
Energy: 1.0832170066916456
Energy: 1.1599766123615605
Energy: 1.1042714756572927
Energy: 1.0948412080090735
Energy: 1.0864099352268113
Energy: 1.0826664661336303
Energy: 1.0967648977274713
Energy: 1.0953440433218378
Energy: 1.0955452708635214
Energy: 1.1733037110783422
Energy: 1.1033457723011877
Energy: 1.0947489983015142
Energy: 1.0964495384704103
Energy: 1.0954421240389096
Energy: 1.1705368222405002
Energy: 1.1027187987364095
Energy: 1.0973707941196882
Energy: 1.095560279181307
Energy: 1.1074250499054203
Energy: 1.0824548410291834
Energy: 1.1070768385585255
Energy: 1.094570303737448
Energy: 1.0966958706442553
Energy: 1.1032888966878485
Energy: 1.0801704950277904
Energy: 1.1062592166213223
Energy: 1.094896138762347
Energy: 1.094982330765736
Energy: 1.1074349235078682
Energy: 1.1551477151350698
Energy: 1.103381511488772
Energy: 1.0840909991392966
Energy: 1.0840605457395454
Energy: 1.1347340713240937
Energy: 1.1562873103392892
Energy: 1.1025133661740583
Energy: 1.0864693165377968
Energy: 1.0840440412829841
Energy: 1.0950096108187515
Energy: 1.0837562502450466
Energy: 1.0944572932780983
Energy: 1.0829313848885775
Energy: 1.157091041861313
Energy: 1.095202847128073
Energy: 1.0937392513073834
Energy: 1.0949572950853754
Energy: 1.0824981603500612
Energy: 1.162566503874536
Energy: 1.097225976029262
Energy: 1.0966953905756769
Energy: 1.157575240499084
Energy: 1.1736376312989087
Energy: 1.1017725335111843
Energy: 1.1074643244939875
Energy: 1.1019679209559357
Energy: 1.1578349883252796
Energy: 1.1387982079341332
Energy: 1.096242430716093
Energy: 1.0838056075836642
Energy: 1.10631455470922
Energy: 1.099749239528222
Energy: 1.097732830222824
Energy: 1.1598350371646697
Energy: 1.0839260653779532
Energy: 1.1081362084170672
Energy: 1.0797950208837062
Energy: 1.1059105080802587
Energy: 1.1601940394973964
Energy: 1.0864341092252447
Energy: 1.1033332937471465
Energy: 1.1708620643638528
Energy: 1.1031203277838606
Energy: 1.0842805597559226
Energy: 1.0863240655622595
Energy: 1.103552979484549
Energy: 1.1718940244037894
Energy: 1.1033256713911104
Energy: 1.0838892075369913
Energy: 1.1567979539143296
Energy: 1.0949448176129184
Energy: 1.0934621092866033
Energy: 1.0926964615830121
Energy: 1.0959430717718373
Energy: 1.1546497104374902
Energy: 1.0957021186368316
Energy: 1.0862742325507369
Energy: 1.093213647557376
Energy: 1.1339395643501184
Energy: 1.096085143360698
Energy: 1.096655141697123
Energy: 1.096527433942885
Energy: 1.1742807599378515
Energy: 1.1592251503648738
Energy: 1.0940942800727775
Energy: 1.0957343970269582
Energy: 1.0956876454653883
Energy: 1.171058278283625
Energy: 1.1593020699533005
Energy: 1.1737405456257088
Energy: 1.0834603313688849
Energy: 1.083664617623059
Energy: 1.0952012919005414
Energy: 1.1744536473768394
Energy: 1.1729153680887476
Energy: 1.083667579119236
Energy: 1.0842134814127748
Energy: 1.094983318710861
Energy: 1.158709967756408
Energy: 1.0969628795740431
Energy: 1.0841619622820453
Energy: 1.083705732664446
Energy: 1.1624067247903638
Energy: 1.1043421800099085
Energy: 1.0950468036411884
Energy: 1.084001905375076
Energy: 1.0828399394765593
Energy: 1.0959096994391542
Energy: 1.0953600924726787
Energy: 1.0953307796536738
Energy: 1.1726019742758436
Energy: 1.1033082985012066
Energy: 1.0944214804229409
Energy: 1.0973394714576599
Energy: 1.0958106036907276
Energy: 1.1707217319831722
Energy: 1.103754028995232
Energy: 1.0966586234631006
Energy: 1.0958762003390148
Energy: 1.174221393577085
Energy: 1.08187410591409
Energy: 1.1076873378540313
Energy: 1.0952146394837334
Energy: 1.0967022339578016
Energy: 1.105609532124403
Energy: 1.080416117141716
Energy: 1.1067189563810063
Energy: 1.0947980672494737
Energy: 1.0963427987577288
Energy: 1.1072631573075742
Energy: 1.1546480189115451
Energy: 1.1033093687904818
Energy: 1.0839086289977702
Energy: 1.083929512418459
Energy: 1.1338734462672584
Energy: 1.1554293612345523
Energy: 1.102716628583317
Energy: 1.0853291970369936
Energy: 1.084296672643699
Energy: 1.094989507764454
Energy: 1.0837479411902828
Energy: 1.0948720804256598
Energy: 1.0829523324932189
Energy: 1.1595195335484525
Energy: 1.0952720581485134
Energy: 1.0928844666170332
Energy: 1.0932419306481742
Energy: 1.0826501165326694
Energy: 1.0968967159736598
Energy: 1.0970410098199705
Energy: 1.0968374694063945
Energy: 1.1565017536309394
Energy: 1.1751959148210542
Energy: 1.1016147232075075
Energy: 1.1010355905207476
Energy: 1.1014352911220144
Energy: 1.158329664336434
Energy: 1.1342235945602928
Energy: 1.0969238140319826
Energy: 1.0835934210551954
Energy: 1.1061771062329993
Energy: 1.0999659594798585
Energy: 1.099332633762511
Energy: 1.159504484656284
Energy: 1.0835860568326905
Energy: 1.1072215514682893
Energy: 1.0796470439406658
Energy: 1.1035627847886587
Energy: 1.1577778637814233

minimum gb energy = 1.0796470439406658 eV
minimum distance =  2.52344037753941 Angstroms
sigma value = 15


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

Energy: 1.9935239494342403
Energy: 1.1453910849444646
Energy: 1.196316117877716
Energy: 1.1024817403569962
Energy: 1.105530319056157
Energy: 1.0998627963085303
Energy: 1.1715474849618255
Energy: 1.1682435255326193
Energy: 1.1180443857627402
Energy: 1.159398875231751
Energy: 1.1082320048208976
Energy: 1.163650854022348
Energy: 1.1775776753238127
Energy: 1.1764333696356752
Energy: 1.1411176115198494
Energy: 1.081595228175448
Energy: 1.1696257009713846
Energy: 1.1781939653479592
Energy: 1.1804284842385715
Energy: 1.1064324863832022
Energy: 1.2346781021253752
Energy: 1.1668155251299304
Energy: 1.1571688461409027
Energy: 1.1715195353896024
Energy: 1.1196750970319145
Energy: 1.23653735604175
Energy: 1.1310218621864816
Energy: 1.1563219377081582
Energy: 1.1585686145100826
Energy: 1.2685739893250865
Energy: 1.1818396376896658
Energy: 1.0968452817064795
Energy: 1.2179495996391023
Energy: 1.2444164392522767
Energy: 1.2737613482066557
Energy: 1.1780712673442018
Energy: 1.0983893370964224
Energy: 1.2209870922364343
Energy: 1.2360708570294194
Energy: 1.2697052364809869
Energy: 1.2447458110471916
Energy: 1.1095953293714511
Energy: 1.097929590363982
Energy: 1.1044382272103694
Energy: 1.0860173277472553
Energy: 1.2081046126744355
Energy: 1.1858554674183832
Energy: 1.1493005944628671
Energy: 1.1037466140130272
Energy: 1.0855117770250007
Energy: 1.0801704578044058
Energy: 1.1022545426513752
Energy: 1.102396603286894
Energy: 1.2430699613071052
Energy: 1.328585958804053
Energy: 1.1093959305544052
Energy: 1.1021377416674065
Energy: 1.1027555529833841
Energy: 1.2807342943108748
Energy: 1.3214175958691523
Energy: 1.1099750547610256
Energy: 1.1041169680411163
Energy: 1.1025904919966298
Energy: 1.1202373884120562
Energy: 1.1675887179882194
Energy: 1.1071176728525522
Energy: 1.102429390719369
Energy: 1.1026539590328954
Energy: 1.0951400939514104
Energy: 1.1962812739102648
Energy: 1.1040434473045777
Energy: 1.1083307800916078
Energy: 1.1663016370089065
Energy: 1.0996856619810074
Energy: 1.1949126521654314
Energy: 1.1042309834070154
Energy: 1.1035787903568717
Energy: 1.1243133306540598
Energy: 1.145003345688821
Energy: 1.164997788672012
Energy: 1.0997841288154544
Energy: 1.319155306138052
Energy: 1.191765734715488
Energy: 1.1449238450696837
Energy: 1.1049584719775112
Energy: 1.0995762154166369
Energy: 1.3176543921429473
Energy: 1.1829499542296924
Energy: 1.1995353721457873
Energy: 1.1102543958438846
Energy: 1.1967083260348546
Energy: 1.1692092762403545
Energy: 1.0970774007648585
Energy: 1.1348848997552416
Energy: 1.1353394425760963
Energy: 1.1367028083662731
Energy: 1.1641721967184415
Energy: 1.108495988688297
Energy: 1.1378039809420237
Energy: 1.1321151383821682
Energy: 1.1908913720789147
Energy: 1.1373861032472647
Energy: 1.126587201492512
Energy: 1.1380521427617267
Energy: 1.1122386414989498
Energy: 1.1969544506818726
Energy: 1.1286359584554322
Energy: 1.1263333611308914
Energy: 1.1278071756528008
Energy: 1.1064488957261596
Energy: 1.3370770680926456
Energy: 1.1541215690791782
Energy: 1.0754238942313163
Energy: 1.0751381185324438
Energy: 1.2487284050270036
Energy: 1.3207009135224037
Energy: 1.148896275318482
Energy: 1.089606064609231
Energy: 1.0782987077429558
Energy: 1.1526148759402295
Energy: 1.1708441945338743
Energy: 1.074919270104117
Energy: 1.1027337862519055
Energy: 1.104889647853159
Energy: 1.1183785390354515
Energy: 1.1773516379055944
Energy: 1.0744111731253563
Energy: 1.123564093991562
Energy: 1.1073148759890465
Energy: 1.190570386019763
Energy: 1.192084582069019
Energy: 1.164772292759964
Energy: 1.0746327292447397
Energy: 1.145591739842974
Energy: 1.122824300037282
Energy: 1.178395874522168
Energy: 1.1537960657841397
Energy: 1.0729933472935693
Energy: 1.1422379226517543
Energy: 1.1310651737338453
Energy: 1.128211190990949
Energy: 1.151089253940603
Energy: 1.2865028517760022
Energy: 1.1355647203044603
Energy: 1.1384443549487056
Energy: 1.1251935525758052
Energy: 1.0878947394907184
Energy: 1.2817686882141894
Energy: 1.1485025218369813
Energy: 1.1221653741158695
Energy: 1.1535519507678131
Energy: 1.2878633666054182
Energy: 1.0952522463056131
Energy: 1.1505232296417445
Energy: 1.1342842247339338
Energy: 1.1538371444033286
Energy: 1.2835245957456551
Energy: 1.0897921285188177
Energy: 1.1445212908481912
Energy: 1.0783294000596173
Energy: 1.0783974894608113
Energy: 1.1073805105317336
Energy: 1.2935263038112779
Energy: 1.2703241178200433
Energy: 1.1909197590815441
Energy: 1.0785198242887082
Energy: 1.1053847693212016
Energy: 1.306467861311329
Energy: 1.2611176398728419
Energy: 1.19540952180126
Energy: 1.107005454392729
Energy: 1.2731228870645352
Energy: 1.279148920030676
Energy: 1.1162590031441515
Energy: 1.1055922314208786
Energy: 1.2318017541000776
Energy: 1.2735158736219008
Energy: 1.2786063282326543
Energy: 1.112574900062203
Energy: 1.105805020358278
Energy: 1.1092593113029483
Energy: 1.1115621761444423
Energy: 1.1243024033158608
Energy: 1.1063406247377197
Energy: 1.1105952042880483
Energy: 1.1122308121466329
Energy: 1.0886712753575036
Energy: 1.109121051169246
Energy: 1.1141181380141827
Energy: 1.1131354962346158
Energy: 1.0833449598344385
Energy: 1.1859364192939705
Energy: 1.1627732205965209
Energy: 1.103013228967357
Energy: 1.1037825623406647
Energy: 1.0974711617917141
Energy: 1.1886440361835642
Energy: 1.1335397213534106
Energy: 1.1034453879250927
Energy: 1.1042219833492
Energy: 1.1456912287390653
Energy: 1.0985541108747692
Energy: 1.109058667982497
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Energy: 1.0976586095947232
Energy: 1.1104950081324794
Energy: 1.0825495280620976
Energy: 1.1786340370771173
Energy: 1.1043105519955811
Energy: 1.1254697134673564
Energy: 1.1287572021557708
Energy: 1.3175093097081276
Energy: 1.1002375190232003
Energy: 1.1027253246519253
Energy: 1.126536747377428
Energy: 1.1486566775774099
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Energy: 1.099900322259992
Energy: 1.137561358439633
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Energy: 1.085220059500152
Energy: 1.1449334939879579
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Energy: 1.1326324561208863
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Energy: 1.0849506934733355
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Energy: 1.1261000951841582
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Energy: 1.1117786611164255
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Energy: 1.257629692132702
Energy: 1.1195695744011356
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Energy: 1.1606224523233308
Energy: 1.1657744323061265
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Energy: 1.1414826413395884
Energy: 1.103090691153994
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Energy: 1.1400925541570086
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Energy: 1.1900133888358988
Energy: 1.1822630550320066
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Energy: 1.1364782510906144
Energy: 1.1916473375606522
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Energy: 1.245103404018386
Energy: 1.1577632173040688
Energy: 1.191155259592477
Energy: 1.1756777052308196
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Energy: 1.2441775922639888
Energy: 1.14518136471244
Energy: 1.1909420585528705
Energy: 1.15921866589711
Energy: 1.284382757311961
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Energy: 1.1264411916398414
Energy: 1.1634852064529948
Energy: 1.285463047171487
Energy: 1.2844844085410039
Energy: 1.1053293402175686
Energy: 1.127014528118788
Energy: 1.1803622022043978
Energy: 1.2843992596782052
Energy: 1.2888144048655519
Energy: 1.279559916731859
Energy: 1.1314320519794594
Energy: 1.1401159531924987
Energy: 1.104462123386181
Energy: 1.152450764423831
Energy: 1.2217115312431233
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Energy: 1.1400945650189482
Energy: 1.1055559313031844
Energy: 1.1519763021218252
Energy: 1.276634430058377
Energy: 1.103955440141159
Energy: 1.1051694225939424
Energy: 1.2759023197552837
Energy: 1.28277648817318
Energy: 1.2399289085896241
Energy: 1.1046426946126613
Energy: 1.1053764565863837
Energy: 1.2608880283688046
Energy: 1.2866507106073621
Energy: 1.104047969085507
Energy: 1.1072451518950372
Energy: 1.1026842262822625
Energy: 1.1377821110708985
Energy: 1.1726773188400406
Energy: 1.103874324963634
Energy: 1.1084187561411003
Energy: 1.1027987176237792
Energy: 1.1370461114415318
Energy: 1.190364714102561
Energy: 1.1053232167709797
Energy: 1.1054300635315173
Energy: 1.1098332137669202
Energy: 1.0991205920194553
Energy: 1.155695433994424
Energy: 1.1051434071974275
Energy: 1.1054775227113154
Energy: 1.1087438136192638
Energy: 1.0990683134241888
Energy: 1.1509552418427291
Energy: 1.113375421089332
Energy: 1.186704978237937
Energy: 1.157096522430141
Energy: 1.183690267616717
Energy: 1.096821448313938
Energy: 1.146996581494319
Energy: 1.1309594750833776
Energy: 1.1504295836090468
Energy: 1.1953879604346254
Energy: 1.0773038200218163
Energy: 1.1099632761298037
Energy: 1.079203041654914
Energy: 1.1246679296254347
Energy: 1.0872147946021415
Energy: 1.1282777048553543
Energy: 1.102119900230878
Energy: 1.0794457122778718
Energy: 1.155789390604494
Energy: 1.1028127302644017
Energy: 1.1348063327338196
Energy: 1.1741065420575416
Energy: 1.1140058676990516
Energy: 1.1236216426688788
Energy: 1.1287945486396376
Energy: 1.0899084639550893
Energy: 1.1764405745394624
Energy: 1.145244214010307
Energy: 1.1253987774151462
Energy: 1.1359257961831561
Energy: 1.0960188568681974
Energy: 1.3369470411802422
Energy: 1.1262720331624019
Energy: 1.0894512856016438
Energy: 1.086621927647219
Energy: 1.117534086715661
Energy: 1.3110049891186928
Energy: 1.1522500552803316
Energy: 1.0733173570770622
Energy: 1.075156432691866
Energy: 1.108826445595504
Energy: 1.1780648687484339
Energy: 1.0948957166446331
Energy: 1.103567529481309
Energy: 1.1039956359763103
Energy: 1.1634596584689607
Energy: 1.1751086974870817
Energy: 1.0764845986705216
Energy: 1.1070146303943598
Energy: 1.1069365875978985
Energy: 1.1533872985742544
Energy: 1.1834902516667294
Energy: 1.147681742821281
Energy: 1.2487235526620093
Energy: 1.1359848068818816
Energy: 1.1223105599304166
Energy: 1.1778789600783066
Energy: 1.14883603101168
Energy: 1.1113476607938324
Energy: 1.1207577021411281
Energy: 1.1229999176122254
Energy: 1.1597801337256342
Energy: 1.127811525603436
Energy: 1.2850993135144984
Energy: 1.1592180858781664
Energy: 1.1437117311065355
Energy: 1.142832848876571
Energy: 1.1680884842381603
Energy: 1.2876849158785224
Energy: 1.1441447881139315
Energy: 1.1443782361024843
Energy: 1.1569803732640942
Energy: 1.2841112996331794
Energy: 1.130002248819181
Energy: 1.2824236769704558
Energy: 1.13179518407119
Energy: 1.270606786074579
Energy: 1.2884861160168646
Energy: 1.1360251002935942
Energy: 1.2497884030187576
Energy: 1.0793259808188094
Energy: 1.150303211748278
Energy: 1.2064208658236626
Energy: 1.1527790189622518
Energy: 1.2386228659329512
Energy: 1.204496310346287
Energy: 1.078579719756735
Energy: 1.2025893647958472
Energy: 1.1423479414616051
Energy: 1.2560592305184186
Energy: 1.1432880661121751
Energy: 1.2200199987372085
Energy: 1.275126314907696
Energy: 1.275620215816041
Energy: 1.0951613706318377
Energy: 1.1057304040332112
Energy: 1.2734899575010268
Energy: 1.27510976562643
Energy: 1.273860544014031
Energy: 1.1577288946800544
Energy: 1.1021301798803587
Energy: 1.1075989882977015
Energy: 1.2684229482051668
Energy: 1.1183151807538443
Energy: 1.108283312694625
Energy: 1.1080038504902217
Energy: 1.109622783481512
Energy: 1.2393051822016823
Energy: 1.1075529959161066
Energy: 1.109977301089908
Energy: 1.1219798790138453
Energy: 1.1106682082332855
Energy: 1.1958325472612934
Energy: 1.1371024936840846
Energy: 1.1011900339738228
Energy: 1.1019323905999125
Energy: 1.1849811273701127
Energy: 1.1846191284315286
Energy: 1.1560942296862644
Energy: 1.1010900522153022
Energy: 1.1017837875023464
Energy: 1.168897648673158
Energy: 1.098387589908189
Energy: 1.1196331003550062
Energy: 1.1700197644354724
Energy: 1.1737449640421467
Energy: 1.1964425414855135
Energy: 1.0980654017255989
Energy: 1.1132384574492684
Energy: 1.1949202437875897
Energy: 1.2053737376040932
Energy: 1.1067738911213842
Energy: 1.1060920356031558
Energy: 1.1527378920525944
Energy: 1.3223819816870495
Energy: 1.1000804828992579
Energy: 1.0798607207712154
Energy: 1.1182900092747357
Energy: 1.1357026547429774
Energy: 1.3263596877560901
Energy: 1.0997608267246501
Energy: 1.1112700750188915
Energy: 1.11592052978985
Energy: 1.1090485396177934
Energy: 1.1125905860511807
Energy: 1.1039982438048466
Energy: 1.1190071544431446
Energy: 1.1200344748410411
Energy: 1.1282417521222519
Energy: 1.1455293893209009
Energy: 1.1151941681185524
Energy: 1.1061259910902828
Energy: 1.0845943266205962
Energy: 1.318280778723982
Energy: 1.3107624775710245
Energy: 1.1367739311654212
Energy: 1.0820792370506034
Energy: 1.106004985832114
Energy: 1.3180728047625865
Energy: 1.1805066127033637
Energy: 1.1501132456520293
Energy: 1.1606613226778082
Energy: 1.1633584889392818
Energy: 1.1803125792491451
Energy: 1.0997737244421413
Energy: 1.0734917057678077
Energy: 1.1049799639182891
Energy: 1.1622483389726577
Energy: 1.2423776954440577
Energy: 1.1570484844495037
Energy: 1.083007623382405

minimum gb energy = 1.0729933472935693 eV
minimum distance =  2.49460741947598 Angstroms
sigma value = 437


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

Energy: 1.5343770736675644
Energy: 1.0758842234500579
Energy: 1.1989978335338274
Energy: 1.0614416201270334
Energy: 1.0270224643568153
Energy: 1.103865794076573
Energy: 1.0752096587342799
Energy: 1.2020924650652958
Energy: 1.0612448851820266
Energy: 1.1483601526246727
Energy: 1.0159460215508815
Energy: 1.1655005670904972
Energy: 1.0105242840378972
Energy: 1.2241555470196455
Energy: 1.046220078804538
Energy: 1.0161713762613886
Energy: 1.0966025886553534
Energy: 1.0106378425807723
Energy: 1.1639491095885612
Energy: 1.0143573381126674
Energy: 1.1220476707083173
Energy: 1.1396450232470423
Energy: 1.1948408004507036
Energy: 1.047023883890909
Energy: 1.018486339506125
Energy: 1.120844515675543
Energy: 1.1395169302702854
Energy: 1.1617012723570872
Energy: 1.045185154195131
Energy: 1.1226404826768666
Energy: 1.0449666121296726
Energy: 1.0488232030113853
Energy: 1.087419075724554
Energy: 1.1211458757000408
Energy: 1.123415208932456
Energy: 1.0460505927760522
Energy: 1.045024518979323
Energy: 1.1552682957681577
Energy: 1.119656791551834
Energy: 1.0181388152603865
Energy: 1.0309617318251785
Energy: 1.1676048553170804
Energy: 1.04229843299175
Energy: 1.0402905074549096
Energy: 1.079188835008932
Energy: 1.0298046369839204
Energy: 1.0882630716024306
Energy: 1.0432224661318956
Energy: 1.0370887029018516
Energy: 1.0108164956686627
Energy: 1.0674033522880106
Energy: 1.0482096565740546
Energy: 1.013039801546954
Energy: 1.0328017016502509
Energy: 1.1016235185379348
Energy: 1.0695860717218555
Energy: 1.0458006167395584
Energy: 1.0126420862634757
Energy: 1.0331897199043327
Energy: 1.5352248106014386
Energy: 1.1325121598037207
Energy: 1.115866471068813
Energy: 1.1150876356641017
Energy: 1.045848337358038
Energy: 1.0617535363945243
Energy: 1.1237352938527192
Energy: 1.114501475974381
Energy: 1.1139125806855357
Energy: 1.046752870044276
Energy: 1.0638995352651235
Energy: 1.1336701805712375
Energy: 1.1202291853332365
Energy: 1.0444812314277288
Energy: 1.0364950944763207
Energy: 1.166000932820919
Energy: 1.13528557026326
Energy: 1.1189965688337087
Energy: 1.0448129234020684
Energy: 1.0376690208857358
Energy: 1.1651581133519882
Energy: 1.0435354587887662
Energy: 1.0910845168897676
Energy: 1.019080872891513
Energy: 1.1638849205120871
Energy: 1.0446408915988652
Energy: 1.0424341517858928
Energy: 1.0882959477999847
Energy: 1.0732261947963364
Energy: 1.0600687737921535
Energy: 1.0436732563756559
Energy: 1.0147141683918564
Energy: 1.041967327782504
Energy: 1.0168365778714248
Energy: 1.0164121076794275
Energy: 1.163328561093026
Energy: 1.1202719180356893
Energy: 1.0439183657888857
Energy: 1.0174132505708218
Energy: 1.0134749589517336
Energy: 1.071609876067742
Energy: 1.0160608697942013
Energy: 1.0130856279913198
Energy: 1.0163996370395956
Energy: 1.1010707444333452
Energy: 1.0105098194699598
Energy: 1.0164317817589847
Energy: 1.013426594301889
Energy: 1.0181277685116343
Energy: 1.1013698687924958
Energy: 1.0484413644921944
Energy: 1.018451653062656
Energy: 1.0181171810575256
Energy: 1.0169214557136856
Energy: 1.223493390535217
Energy: 1.0169732255222952
Energy: 1.0161945202566334
Energy: 1.0122565232668252
Energy: 1.0120206044311584
Energy: 1.1415387153215297
Energy: 1.015269823201106
Energy: 1.01533446824369
Energy: 1.0157127648323598
Energy: 1.0706822834820642
Energy: 1.0613768622959159
Energy: 1.0154384779826775
Energy: 1.0161421388889695
Energy: 1.0169396860816802
Energy: 1.0696546912894798
Energy: 1.0624878747148303
Energy: 1.0138076448602078
Energy: 1.0096876375767674
Energy: 1.0224873381982449
Energy: 1.0737803994373376
Energy: 1.0206984037123705
Energy: 1.0178118074242473
Energy: 1.0665758316587224
Energy: 1.0239136424902529
Energy: 1.1814127669614505
Energy: 1.016075464447137
Energy: 1.0658544397519212

minimum gb energy = 1.0096876375767674 eV
minimum distance =  2.55098278588992 Angstroms
sigma value = 33