Model name: model_name=EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.639085099101067
cohesive_energy=3.2833744382290693
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.6525650891392998e-19, 2.0798976409597799e-19, 2.4851361769973997e-19, 2.83413831318162e-19, 3.1394971578556796e-19, 3.3924007395325803e-19, 3.60683606022714e-19, 3.8026060231356e-19, 3.9913904959198197e-19, 4.17573693942786e-19, 4.35237691332636e-19, 4.51512601580808e-19, 4.65839265042036e-19, 4.77964537808148e-19, 4.88035820129472e-19, 4.96532162819574e-19, 5.03874938333196e-19, 5.1016187944501195e-19, 5.1534812520927e-19, 5.19412847329728e-19, 5.224121219885759e-19, 5.2444848849039e-19, 5.256292926696479e-19, 5.260138150618079e-19, 5.25630894846282e-19, 5.24353960068984e-19, 5.21713572976152e-19, 5.1724029581402395e-19, 5.105624236035119e-19, 5.01306649188894e-19, 4.89117289357422e-19, 4.73717167551414e-19, 4.54998937936392e-19, 4.3300425710483994e-19, 4.07683457581104e-19, 3.7877698675047594e-19, 3.45722480614422e-19, 3.0754100924956794e-19, 2.62777796272242e-19, 2.0922664445742599e-19, 1.4343870838277158e-19, 6.110493399113579e-20, -4.4746390122669e-20, -1.89358052019192e-19, -4.0485401364545996e-19, -7.605612590429699e-19, -1.415377258065306e-18, -2.74755668788026e-18, -5.5916445179590196e-18, -1.1628261552478859e-17, -2.5767326151631798e-17, -6.40369172313558e-17, -1.9111243543342197e-16]
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: 0.014137044964953334
Energy: 0.018954758045048002
Energy: 0.1112465958342844
Energy: 0.11104148376863214
Energy: 0.01854620920800758
Energy: 0.0155064697982787
Energy: 0.11017952012421331
Energy: 0.11163322649000317
Energy: 0.11075725040855178
Energy: 0.017553555889711248
Energy: 0.01467944046414398
Energy: 0.10990425768572609
Energy: 0.11051785367570774
Energy: 0.7623353749505036
Energy: 0.11196697251722065
Energy: 0.11026374689003964
Energy: 0.10982265039762185
Energy: 0.11019672057792664
Energy: 0.7618808662671137
Energy: 0.11140739265595331
Energy: 0.11102577483554261
Energy: 0.017357899505675404
Energy: 0.014551731246577982
Energy: 0.1102509487027198
Energy: 0.7622821435173308
Energy: 0.11116908484016709
Energy: 0.016964215565567948
Energy: 0.014447004902907436
Energy: 0.10993485346314816
Energy: 0.11047371760999113
Energy: 0.11045843542795626
Energy: 0.015638284092811438
Energy: 0.015468988395616095
Energy: 0.10975735791629736
Energy: 0.11002467248649181
Energy: 0.11097074563128084
Energy: 0.01627355546205519
Energy: 0.014696433327532763
Energy: 0.10958942106699998
Energy: 0.11053392164545077
Energy: 0.11046650790177613
Energy: 0.1108183246423086
Energy: 0.10979695525164417
Energy: 0.016174393702383404
Energy: 0.014873975846175792
Energy: 0.109777156895502
Energy: 0.11126114765682563
Energy: 0.111173004911633
Energy: 0.016452512015904464
Energy: 0.10947899955971095
Energy: 0.1097706313449418
Energy: 0.7653540574360554
Energy: 0.11099094512956884
Energy: 0.015253542813409494
Energy: 0.014599782510328417
Energy: 0.10975421361627281
Energy: 0.7647121194369316
Energy: 0.11146925993336171
Energy: 0.01573589244611882
Energy: 0.014639335880948106
Energy: 0.014722109875294606
Energy: 0.10963368038516819
Energy: 0.11040215461068903
Energy: 0.11143356905868257
Energy: 0.1119165935185733
Energy: 0.014670097146055279
Energy: 0.1096493319780301
Energy: 0.10999620768259066
Energy: 0.112052064777626
Energy: 0.11154849426287898

minimum gb energy = 0.014137044964953334 eV
minimum distance =  2.53901390271182 Angstroms
sigma value = 3


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

Energy: 1.1746237546775231
Energy: 0.9792353172620362
Energy: 0.9583994474207942
Energy: 0.9588125208016849
Energy: 1.0098069043565925
Energy: 1.0707315347945976
Energy: 0.947302068654042
Energy: 0.9594689535036844
Energy: 0.9600083283753034
Energy: 1.0325240560914641
Energy: 0.8454062646318591
Energy: 1.027090688066869
Energy: 0.9599472759731373
Energy: 0.9594563859742583
Energy: 0.7591883885512141
Energy: 0.7579319234680715
Energy: 1.0019315960893855
Energy: 0.9659790947353821
Energy: 0.8564308038042967
Energy: 0.9467354780642999
Energy: 0.9359944090532165
Energy: 0.9909319852096724
Energy: 0.8597345932916233
Energy: 0.9484228600977237
Energy: 0.9485011184186504
Energy: 0.756507431017286
Energy: 0.9909577325778898
Energy: 0.8596851428658889
Energy: 0.9313071731712869
Energy: 0.9368898023760904
Energy: 0.9311857563899061
Energy: 0.9665159617243257
Energy: 1.0946305723912686
Energy: 0.7568034775584953
Energy: 0.7781657562854205
Energy: 0.7567151613744668
Energy: 0.9698633785867701
Energy: 1.0969844841452299
Energy: 0.9324849666594892
Energy: 0.9366357712329424
Energy: 1.065872927140525
Energy: 1.0344011425902893
Energy: 1.0372581729058368
Energy: 1.0234328784244133
Energy: 0.9109468423724477
Energy: 0.9875683213815507
Energy: 0.9981677415930276
Energy: 0.9369410165384656
Energy: 1.0758470745365718
Energy: 0.7974652356088758
Energy: 1.0132459525846333
Energy: 0.9810533327485741
Energy: 1.0401491231363675
Energy: 0.9001782803091831
Energy: 1.0365115291921922
Energy: 1.0131348391712367
Energy: 0.981974021919685
Energy: 0.9495088328882726
Energy: 0.7950140248568737
Energy: 1.052069366712162
Energy: 1.0142646380373026
Energy: 1.0274788757687237
Energy: 1.1001817738943165
Energy: 0.9035994747270267
Energy: 0.9748028642380369
Energy: 1.0200161941181785
Energy: 0.9713958247891379
Energy: 1.0601128632520178
Energy: 0.7994754283728845
Energy: 0.9736030529012321
Energy: 1.015515620165602
Energy: 0.9711854317547338
Energy: 0.979775464292664
Energy: 0.9400967874350388
Energy: 0.9727128591434463
Energy: 1.0109758474544208
Energy: 0.9704967996342526
Energy: 1.0575058894079563
Energy: 0.7251583902050592
Energy: 0.9711748742858367
Energy: 1.022062721777153
Energy: 0.8682259825733971
Energy: 0.8108637126937291
Energy: 1.0697614685263956
Energy: 1.035821479404335
Energy: 1.0126845433101745
Energy: 0.8451714666467514
Energy: 0.7278505936422762
Energy: 0.9760324723361241
Energy: 0.9782181320133195
Energy: 0.8640378750695884
Energy: 0.9042400945164144
Energy: 0.9006036418104839
Energy: 0.8958950787561577
Energy: 1.0983935425046543
Energy: 0.9124728064209596
Energy: 0.9495987207931051
Energy: 0.8011423183448391
Energy: 0.7963224000816124
Energy: 1.0981382268498356
Energy: 1.0302747792829485
Energy: 0.9177204901467928
Energy: 0.9004711050726908
Energy: 0.9018679996865768
Energy: 0.9818278677667623
Energy: 1.0290789588810205
Energy: 0.7979256159146605
Energy: 0.9159404728109554
Energy: 0.7982573183186464
Energy: 1.0976189433232881
Energy: 0.9376482701206059
Energy: 0.7974778544133907
Energy: 0.9445029724661544
Energy: 1.0826377526359074
Energy: 1.0252469940422628
Energy: 1.0377197018270445
Energy: 0.9002661212444385
Energy: 1.028152797450544
Energy: 0.9944449096807767
Energy: 0.9979443948309906
Energy: 0.8005284909037257
Energy: 0.9484922365127074
Energy: 1.0534767929022557
Energy: 1.0476160847562777
Energy: 1.0007238782744214
Energy: 0.9088431808819939
Energy: 0.8997903208515406
Energy: 1.0381044060610494
Energy: 1.049029118222977
Energy: 1.000683206142007
Energy: 0.799363845175759
Energy: 0.8058919438969177
Energy: 0.973521726189653
Energy: 0.9779873594796334
Energy: 1.0042448151282144
Energy: 0.8005560148959426
Energy: 0.9482531491735022
Energy: 0.9761089948991427
Energy: 0.9821216019569413
Energy: 0.9935444146603302
Energy: 1.071242934401938
Energy: 0.9720315687831035
Energy: 0.9700836802540027
Energy: 0.971152077459809
Energy: 0.979512263368442
Energy: 1.1415705141727448
Energy: 0.9730643966444019
Energy: 0.9729592438140062
Energy: 0.97172851366093
Energy: 0.9701806267360658
Energy: 0.7257638792254172
Energy: 1.0274704876455194
Energy: 0.9776638122114667
Energy: 0.9714549705995387
Energy: 0.9069815517174589
Energy: 0.8025200348588766
Energy: 1.0246634276461457
Energy: 0.9763108327609862
Energy: 0.9723386827916444
Energy: 0.8017666748918983
Energy: 0.8001394940255304
Energy: 0.8586680423442961
Energy: 0.8660072872719801
Energy: 0.9139551160329998
Energy: 0.9394345591861551
Energy: 0.9067719214430375
Energy: 0.8586041637070273
Energy: 0.8845994734202449
Energy: 0.9109867003042362
Energy: 0.7967959342130174
Energy: 0.797599607637325
Energy: 0.8930462807550389
Energy: 1.0967028753609185
Energy: 0.9072571709847954
Energy: 0.7973939838231787
Energy: 0.8989145913073767
Energy: 0.8863073420727738
Energy: 0.980982677494351
Energy: 0.7976973123589595
Energy: 0.796819962680752
Energy: 0.9688154822170093
Energy: 1.0317949277423242
Energy: 0.9363772821826915
Energy: 1.0732646214834234
Energy: 0.8248571295761282
Energy: 1.0612244170068106
Energy: 1.039610124394628
Energy: 1.0354332832712423
Energy: 1.0629170226679554
Energy: 0.7577255222549849
Energy: 1.0116986843806843
Energy: 0.9842554796237066
Energy: 0.9401378905043026
Energy: 0.796174686985563
Energy: 1.0520765097619909
Energy: 1.0115478514337723
Energy: 1.0244474293312549
Energy: 1.0500855730690497
Energy: 0.9687663293837084
Energy: 1.0380415874187876
Energy: 1.020578846797508
Energy: 0.9845665179248858
Energy: 1.0234346132561123
Energy: 0.8011120748814264
Energy: 0.9785328529660066
Energy: 1.0142581740409768
Energy: 1.0154587162739337
Energy: 1.076171429533431
Energy: 0.9030820556286857
Energy: 0.978242604412752
Energy: 1.0152547946923491
Energy: 0.9693661088414969
Energy: 0.9719539982082404
Energy: 0.7301864459488722
Energy: 0.9717603905069663
Energy: 1.0146121175532925
Energy: 0.969797212275136
Energy: 1.018700471257326
Energy: 1.093697572234049
Energy: 0.9715679068668376
Energy: 1.0119319495821728
Energy: 0.859484687542052
Energy: 0.7273986463023335
Energy: 0.9714485995924621
Energy: 0.968631828606631
Energy: 0.9711516451492265
Energy: 0.8680303604198272
Energy: 0.7851414018942754
Energy: 1.090668801608446
Energy: 0.9737448550269324
Energy: 0.8544053269786386
Energy: 0.9471281128193085
Energy: 0.7988956230210991
Energy: 0.8901901453976504
Energy: 1.0987938429664883
Energy: 0.8882793632799371
Energy: 0.9000712634755845
Energy: 0.9015531847863809
Energy: 0.903354461523004
Energy: 1.0975042139526838
Energy: 0.9359256093884283
Energy: 0.7959673539629841
Energy: 0.9179697981840919
Energy: 0.7954108168009013
Energy: 0.9817247565100184
Energy: 0.8971840114216109
Energy: 0.9067371800973498
Energy: 0.8983807610436538
Energy: 0.895569589664607
Energy: 1.0990655116634847
Energy: 1.0931389299751824
Energy: 0.9516867470641012
Energy: 0.8035818219570633
Energy: 0.9483535051148296
Energy: 0.954864321699037
Energy: 0.9528646934546008
Energy: 0.7622259304437612
Energy: 0.9455376601451968
Energy: 1.0843843990011806
Energy: 1.031684849422062
Energy: 0.93272538196793
Energy: 0.9703620204256038
Energy: 1.0612086903306885
Energy: 1.0248007333942994
Energy: 1.0113706395871753
Energy: 0.7594304709319726
Energy: 0.9479863794055251
Energy: 0.8968584107530995
Energy: 1.0257206636006964
Energy: 1.011447401199152
Energy: 0.9361442937566895
Energy: 0.9442328901420703
Energy: 1.0050020600556908
Energy: 0.9687844465895948
Energy: 0.9469880010298191
Energy: 0.7611662850633695
Energy: 0.8819832102933257
Energy: 0.9578425562164374
Energy: 1.0350560303880962
Energy: 1.0597957268124567
Energy: 1.1777250414788951
Energy: 0.9597452302971414
Energy: 0.96075519749164
Energy: 0.9588932850316887
Energy: 0.9724376924341405
Energy: 1.0743925102268912
Energy: 0.9490277738885284
Energy: 0.9968744734065301
Energy: 0.958629679336637
Energy: 0.9790360194047817

minimum gb energy = 0.7251583902050592 eV
minimum distance =  2.08827649632939 Angstroms
sigma value = 75


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

Energy: 1.5998605077884203
Energy: 1.0200670813359067
Energy: 0.9464157359312267
Energy: 1.0627717613324532
Energy: 1.0229318864130765
Energy: 1.0229986285996984
Energy: 1.0263935000890152
Energy: 0.9568785977933651
Energy: 1.0604806595783596
Energy: 1.0802069222942097
Energy: 1.0387172349831748
Energy: 1.0776459225051749
Energy: 0.9467477811691859
Energy: 1.0490856858942295
Energy: 0.9258312412270326
Energy: 1.0334410079328131
Energy: 1.0328181446753792
Energy: 0.9560752603856107
Energy: 0.9746993382820057
Energy: 0.9994898860647229
Energy: 1.0065824598794164
Energy: 1.089132479970057
Energy: 1.214804211579229
Energy: 1.01524491119968
Energy: 0.9640557666596712
Energy: 0.9439745545422221
Energy: 1.0890837756752543
Energy: 1.2142453845263168
Energy: 1.0038580117312252
Energy: 0.9866051211817909
Energy: 0.9473280338403843
Energy: 1.0831702553392586
Energy: 1.0619448803174765
Energy: 0.9398330748823337
Energy: 0.9828964226240872
Energy: 0.9224787161538143
Energy: 0.9833153792497296
Energy: 1.0608132096257574
Energy: 1.0110064305029478
Energy: 0.9827353863864553
Energy: 1.0622310879693415
Energy: 0.937011248399336
Energy: 1.1172420073630098
Energy: 1.0913764950776932
Energy: 1.0430854173154203
Energy: 1.1072713636686764
Energy: 0.9471327353882424
Energy: 1.0793708992139117
Energy: 1.104016309995469
Energy: 1.044296451041271
Energy: 1.0329384647026891
Energy: 1.0619920202492823
Energy: 1.0495418553814457
Energy: 0.9800276204640263
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Energy: 1.0347536799244093
Energy: 1.079389457743664
Energy: 1.0494182874585378
Energy: 0.9819269443782433
Energy: 1.0605460818773291
Energy: 0.949590275986317
Energy: 1.0827651306673562
Energy: 1.062884013987303
Energy: 0.9629260597203284
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Energy: 0.9781205088366703
Energy: 1.0455407010745157
Energy: 1.0377640972502282
Energy: 1.0970849844437582
Energy: 0.990080581461212
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Energy: 1.1101198708165334
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Energy: 0.984523695283643
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Energy: 1.110093651612514
Energy: 0.9041222185383221
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Energy: 0.9786075216021262
Energy: 0.9651675231143837
Energy: 0.9299800038877706
Energy: 0.9562760079836323
Energy: 1.0975912336487161
Energy: 0.9757731001281533
Energy: 1.047701205992391
Energy: 1.0349672441675661
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Energy: 1.0667815641705647
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Energy: 1.0461141931565672
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Energy: 1.0677066841550649
Energy: 1.2316281429656013
Energy: 1.0550312068056884
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Energy: 1.0405613847513142
Energy: 1.1141161160861273
Energy: 1.0668602414606754
Energy: 0.9377626796267645
Energy: 1.0554825424554544
Energy: 1.0613490021958574
Energy: 1.1061555173375088
Energy: 0.9787535277018242
Energy: 0.9366818815914749
Energy: 1.0226244547244825
Energy: 1.0253238826287423
Energy: 1.0942291998722224
Energy: 0.9669413957517891
Energy: 0.9638047846096656
Energy: 1.0516805225322066
Energy: 1.0515132096661215
Energy: 1.0983006217955236
Energy: 1.0255861526926382
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Energy: 0.971722698579492
Energy: 1.1087300133320415
Energy: 1.0030709204784611
Energy: 0.9273966223105302
Energy: 0.9809302411479015
Energy: 1.0004080345065944
Energy: 1.22457264187733
Energy: 1.0297938050429913
Energy: 0.973219878196569
Energy: 0.9558656293883903
Energy: 1.053481426959838
Energy: 0.9803779240565346
Energy: 1.0441616430619092
Energy: 0.9181786012474376
Energy: 0.9261728842688464
Energy: 1.0528450352796803
Energy: 0.9317255321929068
Energy: 1.0945728595409674
Energy: 1.227510557408566
Energy: 1.0815226239300193
Energy: 1.0863055411286806
Energy: 0.9390790976958387
Energy: 1.083699884207364
Energy: 1.2302192512100918
Energy: 1.0591735938106568
Energy: 1.069909476935389
Energy: 0.9355003411989048
Energy: 1.0650942374439398
Energy: 1.0955914548189496
Energy: 1.0732716193431784
Energy: 0.9380484729001978
Energy: 1.0642760534796472
Energy: 0.9676174857264974
Energy: 1.0899350141321276
Energy: 1.0622667012153728
Energy: 0.9366786374569966
Energy: 1.044162022513684
Energy: 0.9611372567908536
Energy: 0.9971787818114934
Energy: 0.9862520329008919
Energy: 0.9570784545102095
Energy: 1.048267261599877
Energy: 1.0878950813391788
Energy: 0.9841698245371435
Energy: 1.0043616541348113
Energy: 0.9304038685060971
Energy: 1.0462471230746293
Energy: 1.09077442234177
Energy: 1.0252510971973487
Energy: 0.9673355992755951
Energy: 0.9802146942309425
Energy: 1.0415442793442715
Energy: 1.2261011291661075
Energy: 1.0331301469965506
Energy: 0.9671930727227279
Energy: 0.980452344311532
Energy: 0.9911710129388022
Energy: 1.2259990823662785
Energy: 1.0934587235097044
Energy: 0.9763874505400211
Energy: 0.9562297495165035
Energy: 1.0944927875111836
Energy: 0.9854536993745624
Energy: 1.0900478433553678
Energy: 0.9909343066435174
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minimum gb energy = 0.8947799032372681 eV
minimum distance =  2.07158924273537 Angstroms
sigma value = 105


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

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Energy: 1.0803609595539163
Energy: 0.9536621089536729
Energy: 1.0138661668095679
Energy: 1.0805439505314942
Energy: 1.0138589958170074
Energy: 1.075490262650501
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Energy: 1.017800732111595
Energy: 1.079946062693779
Energy: 1.0417080718594685
Energy: 1.0354487189116999
Energy: 1.0751592684089812
Energy: 1.0129866013914741
Energy: 1.0403204049705739
Energy: 1.0414381754365891
Energy: 1.0359309949543887
Energy: 1.074867022762862
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Energy: 1.0409021644673284
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Energy: 0.9847092660911175
Energy: 0.9789545572693393
Energy: 1.070747120016916
Energy: 1.0429904000705033
Energy: 0.9850883469443157
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Energy: 1.000162620275013
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Energy: 0.9994719098352353
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Energy: 0.9536452144525512
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Energy: 1.003258349609937
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Energy: 0.9252702142805496
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Energy: 1.001730582168906
Energy: 0.986859349908046
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Energy: 1.0786794867493872
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Energy: 1.0790039462288612
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Energy: 1.0434997556402255
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Energy: 1.0731871944152436
Energy: 0.9418431992768532
Energy: 1.0624102957300106
Energy: 1.0436840944902968
Energy: 1.0630714144819498
Energy: 1.0195879054422967
Energy: 1.0314707112907882
Energy: 1.0534403793886689
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Energy: 1.0491583393441406
Energy: 1.0216412000013806
Energy: 1.0311874245645667
Energy: 1.0516910495634293
Energy: 1.062908132697029
Energy: 0.9446350460370382
Energy: 0.925094824080234
Energy: 1.0419274788835593
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Energy: 0.9822413397049552
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Energy: 0.9405877368621359
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Energy: 0.9813591885792168
Energy: 0.9501013951164367
Energy: 0.9449511862256573
Energy: 0.9442831793759929
Energy: 0.9486886011197585
Energy: 1.0546722126057124
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Energy: 0.9462540799424531
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Energy: 0.946873663807847
Energy: 1.0381238216007191
Energy: 1.0413619061154662
Energy: 0.9486318526807299
Energy: 0.953092183234543
Energy: 0.9409163780709632
Energy: 1.0181750868663815
Energy: 1.0406210673746639
Energy: 0.946993285591537
Energy: 0.9547399498674497
Energy: 0.9506172259510448
Energy: 1.0003950600936637
Energy: 1.0414704110065542
Energy: 1.1280431102038613
Energy: 0.9972253068426857
Energy: 1.0752592346635372
Energy: 0.986460181209418
Energy: 1.041295622863541
Energy: 1.1169371238287007
Energy: 1.0265159007525324
Energy: 1.0730114212281503
Energy: 0.986935435388474
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Energy: 1.040001214036698
Energy: 1.0439635398065268
Energy: 1.0174200971944354
Energy: 1.081361015134467
Energy: 0.9697102152131516
Energy: 1.0391608334505267
Energy: 1.0429558619161599
Energy: 1.0173984274600678
Energy: 1.0518687943756275
Energy: 0.9852230345771242
Energy: 1.0462204358651301
Energy: 0.9855168215943697
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Energy: 1.0232358803138777
Energy: 0.921877495080777
Energy: 1.015804251188151
Energy: 0.9859186471479385
Energy: 0.9566483743331543
Energy: 0.9891894072602865
Energy: 1.0710986088562076
Energy: 1.0026134442350325
Energy: 0.9850362622436295
Energy: 1.0396762498944025
Energy: 1.0025728348210243
Energy: 1.050396442382669
Energy: 1.0031171364606408
Energy: 0.9852254917184365
Energy: 0.989756372476243
Energy: 1.0025476382356402
Energy: 1.0426514118071473
Energy: 0.9872345869880443
Energy: 0.9765409671431841
Energy: 0.985490144270146
Energy: 1.0423564075552898
Energy: 1.0394967456808741
Energy: 0.9835926176280223
Energy: 0.923059943417445
Energy: 0.9861013985263535
Energy: 1.0416018386413017
Energy: 0.9831392496800544
Energy: 0.9905557066925277
Energy: 1.0686682324317582
Energy: 1.0154063637474664
Energy: 1.0735693797626915
Energy: 0.9880963989297723
Energy: 1.0203105928411453
Energy: 1.0110138178301389
Energy: 1.0536600995838707
Energy: 1.0781938499824235
Energy: 1.085996951768671
Energy: 1.003003206548331
Energy: 0.9875835369300652
Energy: 0.9870970316489263
Energy: 1.1996767075658075
Energy: 1.0209563007541422
Energy: 0.9562105185398506
Energy: 0.9832978043724042
Energy: 0.9830055332162567
Energy: 1.0740419134320363
Energy: 1.0791310692712919
Energy: 0.973079896161216
Energy: 1.0405214772496447
Energy: 1.0383247100642743
Energy: 0.98203933887554
Energy: 1.0581245678120375
Energy: 0.9391253751772939
Energy: 1.015857171018679
Energy: 1.0412538704071517
Energy: 0.9992491435667771
Energy: 1.0232342888378891
Energy: 1.0791125608210796
Energy: 1.038216501386175
Energy: 1.0157256622047866
Energy: 1.0828235872025547
Energy: 1.0102230486813442
Energy: 1.0791004226108554
Energy: 1.0459024931673389
Energy: 1.0154188303457126
Energy: 1.0382133191387959
Energy: 1.035726923296891
Energy: 1.0737127497868437
Energy: 0.9347974031356554
Energy: 0.9831684082386236
Energy: 0.9810154446121981
Energy: 0.9416969458340798
Energy: 1.0476066878443195
Energy: 0.9516766811317083
Energy: 0.9974397059076608
Energy: 1.0451786951534234
Energy: 1.0802532783015462
Energy: 0.9481957358147428
Energy: 0.976467606122734
Energy: 0.9630498468875975
Energy: 0.9532591278215929
Energy: 1.0567316459088831
Energy: 0.9270801205964389
Energy: 0.963058579213145
Energy: 0.9495098457103835
Energy: 1.0319932089484376

minimum gb energy = 0.901240708918411 eV
minimum distance =  2.25175795693854 Angstroms
sigma value = 165


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

Energy: 1.1891789817109963
Energy: 0.9146106232859438
Energy: 0.9245539647178148
Energy: 0.94192652609073
Energy: 0.8841627955472738
Energy: 1.1228607362280183
Energy: 0.9179748826505806
Energy: 0.9307658820520309
Energy: 0.9572498586304099
Energy: 0.9140817631348969
Energy: 1.0011926715699135
Energy: 0.9595186902729546
Energy: 0.9422042091473475
Energy: 0.942140265919268
Energy: 0.9295535192347426
Energy: 0.9543531402409191
Energy: 0.9030060261894272
Energy: 0.9552281059422159
Energy: 0.9594461761040417
Energy: 1.0003344976482529
Energy: 0.9724262785267423
Energy: 1.0234600106030838
Energy: 1.0300729334053274
Energy: 0.9825715900763049
Energy: 0.9754381379371623
Energy: 0.976707258171217
Energy: 1.0350737012594213
Energy: 1.0182074076178727
Energy: 0.9909777823842018
Energy: 0.9754123517805579
Energy: 0.9770757358714658
Energy: 0.9416589261063515
Energy: 0.9759871358146893
Energy: 0.9761930544028556
Energy: 0.91175881592123
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Energy: 0.9633320468111828
Energy: 1.0141804154194751
Energy: 0.9294754162541706
Energy: 0.9587991036259774
Energy: 0.9809200995518558
Energy: 0.9389007218065804
Energy: 0.9752151171317545
Energy: 0.9540565349938314
Energy: 0.8996700641410245
Energy: 0.970163845143365
Energy: 0.9391935519702939
Energy: 0.9685014516966218
Energy: 0.9567977300501066
Energy: 0.9495754717782302
Energy: 0.9760160359590184
Energy: 0.9047044582959362
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Energy: 0.914859685434709
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Energy: 0.9659599527314432
Energy: 0.9136876848640136
Energy: 0.9744436992474418
Energy: 0.9802793355680359
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Energy: 0.963856549943676
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Energy: 0.9826465314781452
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Energy: 0.9877837339417868
Energy: 0.9569788555256524
Energy: 1.0667545656585535
Energy: 1.0249322686817193
Energy: 0.8897374504461936
Energy: 0.9836094517321416
Energy: 0.9592071167030627
Energy: 0.9701317866759489
Energy: 0.982709674799465
Energy: 0.9844509556067209
Energy: 0.9611863904638159
Energy: 0.954253049811179
Energy: 0.9712989891867403
Energy: 0.9961668568544882
Energy: 0.984619670682366
Energy: 0.9597972463600666
Energy: 0.9694537578623967
Energy: 0.9683291630582852
Energy: 0.9793328531093329
Energy: 1.0686279438549493
Energy: 0.9742751555064331
Energy: 0.9703447296164996
Energy: 0.9955644163372157
Energy: 0.9724444898318628
Energy: 0.9317149932796813
Energy: 0.9806958896040047
Energy: 0.9684581461684123
Energy: 0.9953277271354956
Energy: 0.9716295890844066
Energy: 0.9849591750469587
Energy: 1.0101049799937494
Energy: 0.9793255999786192
Energy: 1.0015190786057555
Energy: 1.087188906769407
Energy: 1.0015088200691307
Energy: 0.9974700879471042
Energy: 1.0141277190073033
Energy: 1.009994026589475
Energy: 1.1905688936315955
Energy: 0.994286002934385
Energy: 0.9956088568216815
Energy: 0.9832460287995817
Energy: 0.9710944973510682
Energy: 0.9553864036383183
Energy: 1.0035988660427841
Energy: 0.9303503551038533
Energy: 0.981937979684077
Energy: 0.9755016970893977
Energy: 0.9789063161513073
Energy: 1.024471386984231
Energy: 0.9388702945302962
Energy: 0.9019337794209467
Energy: 0.9525736695684439
Energy: 0.9822182911247093
Energy: 0.9049481983267165
Energy: 0.9734216035631377
Energy: 0.9645690980341474
Energy: 0.9566342775572707
Energy: 0.9309505354571205
Energy: 0.90161417057277
Energy: 0.9038024197543381
Energy: 0.9748890193013429
Energy: 0.9096255016108281
Energy: 0.9637224061010784
Energy: 0.9287969038114553
Energy: 0.9029839813044298
Energy: 0.9679056512388862
Energy: 0.9129197001276809
Energy: 0.9467670288108854
Energy: 0.9490286257342947
Energy: 0.9885016336128862
Energy: 0.9724929824643193
Energy: 0.9253392134296203
Energy: 0.9977689041602882
Energy: 0.9547131265816045
Energy: 0.9626577543180276
Energy: 0.9540968870965398
Energy: 0.9312178735817691
Energy: 0.9707606643198698

minimum gb energy = 0.8841627955472738 eV
minimum distance =  2.20004610226567 Angstroms
sigma value = 41


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

Energy: 0.8488666072564326
Energy: 0.8566040492365327
Energy: 0.8289466825219538
Energy: 0.8146152084707524
Energy: 0.807205239954266
Energy: 0.7904785516790345
Energy: 0.8438160703804901
Energy: 0.857874428197981
Energy: 0.832462526458636
Energy: 0.8683293606189595
Energy: 0.904529960824932
Energy: 0.8801658481107094
Energy: 0.814833103979456
Energy: 0.8167236354967939
Energy: 0.793300641833494
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Energy: 0.8268040304492644
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Energy: 0.8354562247493463
Energy: 0.8534180228133922
Energy: 0.8486203306871956
Energy: 0.8894708120555458
Energy: 0.9193284452173293
Energy: 0.8848845652943899
Energy: 0.8977544596506798
Energy: 0.8474114961922072
Energy: 0.8824687742644602
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Energy: 0.8877448803634029
Energy: 0.8362671827949802
Energy: 0.8866919766906532
Energy: 0.857750016362651
Energy: 0.8713211581909243
Energy: 0.8660033161093779
Energy: 1.0062438572395977
Energy: 0.8906363865405742
Energy: 0.8353648582587818
Energy: 0.865395836180512
Energy: 0.8618467224845814
Energy: 0.9398958906256984
Energy: 0.8865300476982696
Energy: 0.8681458956206488
Energy: 0.8694382865352625
Energy: 0.8760241975898437
Energy: 0.8735206142231465
Energy: 0.8883710083057251
Energy: 0.8610138462596387
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Energy: 0.8609414783593774
Energy: 0.9254537381099925
Energy: 0.9251524032618264
Energy: 0.8559900113048071
Energy: 0.912917926039762
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Energy: 0.8839960996575514
Energy: 0.9204419562352184
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Energy: 0.8974992360137292
Energy: 0.8847023728550085
Energy: 0.8881661529626629
Energy: 0.8480277010600394
Energy: 0.8882108241803125
Energy: 0.8522392994970669
Energy: 0.8230227626892939
Energy: 0.8365808279522251
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Energy: 0.8890134863853935
Energy: 0.8523252184735802
Energy: 0.9223098570602345
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Energy: 0.81317519730741
Energy: 0.8495338112943475
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Energy: 1.1252055553695433
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Energy: 0.8374101592633665
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Energy: 0.8789542742133539
Energy: 0.8148546339804705
Energy: 0.8707187749670561
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Energy: 0.8850108338367567
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Energy: 0.8475399621563958
Energy: 0.8743186308888451
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Energy: 0.8543175591609962
Energy: 0.8541416410484151
Energy: 0.8469863551041652
Energy: 0.9100199276767622
Energy: 0.8139485482400618
Energy: 0.9009903999590227
Energy: 0.866753829895462
Energy: 0.8590933484274375
Energy: 0.8469823402391409
Energy: 0.8326699393540619
Energy: 0.9113521492328028
Energy: 0.8351962961863199
Energy: 0.8789434660889043
Energy: 0.8254240458819785
Energy: 0.853069375885945
Energy: 0.8325939230908709
Energy: 0.8781815580741822
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Energy: 0.8552708905834404
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Energy: 0.8235807570355325
Energy: 0.8582043271919688
Energy: 0.8458721533088533
Energy: 0.7909284100657992
Energy: 0.8537749735353519
Energy: 0.8327432811547477
Energy: 0.830788446678986
Energy: 1.0176324051075047
Energy: 0.8815850876084604
Energy: 0.8137608352712309
Energy: 0.8237879667182928
Energy: 0.8121632529715468
Energy: 0.879387213581535
Energy: 0.852015035506347
Energy: 0.8685356318121721
Energy: 0.8945246654454186
Energy: 0.9005062869090057
Energy: 0.8589178554453033
Energy: 0.8750399395914374
Energy: 0.9207106220153897
Energy: 0.8909008864939866
Energy: 0.8467644371331492
Energy: 0.8599586092016162
Energy: 0.8824182336257258
Energy: 0.8646105943878221
Energy: 0.8646505328100029
Energy: 0.8401180879920417
Energy: 0.8588011543339507
Energy: 0.8477954303406569
Energy: 0.8680673335426518
Energy: 0.8644335574730997
Energy: 0.8382460142700906
Energy: 0.8643490667168668
Energy: 0.8567120984759757
Energy: 0.8657287875106233
Energy: 0.8670898930596724
Energy: 0.9828704282033182
Energy: 0.9004920613353409
Energy: 0.857507590853403
Energy: 0.8673171042354993
Energy: 0.8687762709894702
Energy: 0.979419216178623
Energy: 0.880923649416919
Energy: 0.9111813432464592
Energy: 0.889621196588182
Energy: 0.9032721789771964
Energy: 0.8872105869424219
Energy: 0.9174501206033548
Energy: 0.9115539415265025
Energy: 0.9000261108434029
Energy: 0.8714400507221677
Energy: 0.890299673715726
Energy: 0.9165856622225628
Energy: 0.8583702943117569
Energy: 0.8836460130163977
Energy: 0.8533503597948148
Energy: 0.8791423008054348
Energy: 0.9178082745629618
Energy: 0.897547733637097
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Energy: 0.8519335845398915
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Energy: 0.8969958640309521
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Energy: 0.8142364326752742
Energy: 0.8922654143248099
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Energy: 0.8681676097799943
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Energy: 0.8540602961528602
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Energy: 0.9238971526764879
Energy: 0.8920625804055989
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Energy: 0.8522927854274787
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Energy: 0.8404200854664218
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Energy: 0.8517504210385999
Energy: 0.8824950339098235
Energy: 0.852097748863166
Energy: 0.8890100754764937
Energy: 0.8365027094353817
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Energy: 0.8804963498195282
Energy: 0.8506482769516927
Energy: 0.8872150746394322
Energy: 0.8863020377170602
Energy: 0.9856110217479701
Energy: 0.8867852807345922
Energy: 0.8619050728974865
Energy: 0.835357730407847
Energy: 0.8373718923862545
Energy: 0.8371376087921009
Energy: 0.851388088083378
Energy: 1.1249212361418972
Energy: 0.847172490973204
Energy: 0.8401086549365283
Energy: 0.8351768804736099
Energy: 0.867135946933438
Energy: 0.8602037124538918
Energy: 0.8361281922856526
Energy: 0.8502462260148907
Energy: 0.882203271797889
Energy: 0.8924573384640022
Energy: 0.815074714544546
Energy: 0.8395193098693041
Energy: 0.8519662366009785
Energy: 0.8398982362026287
Energy: 0.8353707871228299
Energy: 0.9212150380811118
Energy: 0.8490018659857275
Energy: 0.8692943711546949
Energy: 0.8283874574661986
Energy: 0.8700195568618905
Energy: 0.8706534283955975
Energy: 0.8448387049409984
Energy: 0.873924983629946
Energy: 0.8388208649723088
Energy: 0.8624075868440017
Energy: 0.832493766869932
Energy: 0.9102919543270863
Energy: 0.9087202451354778
Energy: 0.8558132305147608
Energy: 1.049276850579016
Energy: 0.7946145107671972
Energy: 0.8911316356276556
Energy: 0.814446998295759
Energy: 0.8643940799504982

minimum gb energy = 0.7904785516790345 eV
minimum distance =  2.31213402374431 Angstroms
sigma value = 185


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

Energy: 0.3719406177072347
Energy: 0.4114240823440124
Energy: 0.4411549777246576
Energy: 0.43190878930411397
Energy: 0.37345852432161175
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Energy: 0.4383057956560015
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Energy: 0.4127562041635491
Energy: 0.3917291871596148
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Energy: 0.42675434068919244
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Energy: 0.3738293754191745
Energy: 0.3730128104069341
Energy: 0.4137694661531035
Energy: 0.3910864936375326
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Energy: 0.3732676359136683
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Energy: 0.4139818308516689
Energy: 0.4198154671177292
Energy: 0.4114567824008926
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Energy: 0.41405858113842514
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Energy: 0.3731174792692539
Energy: 0.3730634166778709
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Energy: 0.44199313556001546
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Energy: 0.3730614593568825
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Energy: 0.410130445376881
Energy: 0.4175359651051419
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Energy: 0.39515573187127145
Energy: 0.413875171758561
Energy: 0.41033128630613475
Energy: 0.38353654209154375
Energy: 0.43337543743928525
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Energy: 0.4195117453407998
Energy: 0.3742588609853538
Energy: 0.39023777255409986
Energy: 0.45299031477374313
Energy: 0.4403149963448515
Energy: 0.4315342353270383
Energy: 0.378309971686963
Energy: 0.3905378534409425
Energy: 0.4534166780566538
Energy: 0.3964765046813402
Energy: 0.4114440732645574
Energy: 0.373023787597786
Energy: 0.41332996177604153
Energy: 0.4139539932386531
Energy: 0.43149435642796247
Energy: 0.37622816445680035
Energy: 0.3730496499347685
Energy: 0.413508391880349
Energy: 0.4176520563532536
Energy: 0.4320008196027032
Energy: 0.4142136526936422
Energy: 0.39587844571245523
Energy: 0.4348906733356384
Energy: 0.39247491598861983
Energy: 0.4132433634639493
Energy: 0.4139119286227495
Energy: 0.3929109831268442
Energy: 0.4338336728705475
Energy: 0.39061852041094336
Energy: 0.4126613051584748
Energy: 0.3740901295786844
Energy: 0.43704837145401787
Energy: 0.39471334101725164
Energy: 0.41280079887637344
Energy: 0.41351606124190693
Energy: 0.3742804097312368
Energy: 0.43653995929377654
Energy: 0.392325971826585
Energy: 0.4531900029699656
Energy: 0.37327507033100715

minimum gb energy = 0.3719406177072347 eV
minimum distance =  2.44807345589156 Angstroms
sigma value = 33


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

Energy: 0.7990712173237989
Energy: 0.775082753592129
Energy: 0.7535573925281628
Energy: 0.7853867823931651
Energy: 0.7294804177659246
Energy: 0.7305198854568695
Energy: 0.7342789368398959
Energy: 0.7688059596186525
Energy: 0.7866224979347177
Energy: 0.7746875235565306
Energy: 0.746764100599312
Energy: 0.7610528104502752
Energy: 0.7684129789948173
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Energy: 0.7534517920308591
Energy: 0.7639205318811663
Energy: 0.7623390778741862
Energy: 0.7677752486345818
Energy: 0.7661661221457998
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Energy: 0.7435713142707953
Energy: 0.7603520006711169
Energy: 0.7658105813040175
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Energy: 0.7550440373868703
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Energy: 0.799302432510927
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Energy: 0.820351384066908
Energy: 0.7637547821798393
Energy: 0.7811268403967369
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Energy: 0.7857144999104047
Energy: 0.796441282261246
Energy: 0.802197527040439
Energy: 0.744862749241135
Energy: 0.7640287890619424
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Energy: 0.7836174923355124
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Energy: 0.7715086210401595
Energy: 0.7792950363089299
Energy: 0.7859968936959283
Energy: 0.7613103266091175
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Energy: 0.8543268665828969
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Energy: 0.7813816749930768
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Energy: 0.8032773034058639
Energy: 0.7949675700956194
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Energy: 0.7578897413139043
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Energy: 0.7602495954611591
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Energy: 0.7577972659885021
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Energy: 0.7608697695517833
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Energy: 0.7834591185084842
Energy: 0.7844925136908676
Energy: 0.7615475356339101
Energy: 0.7602853167715194
Energy: 0.793731284610509
Energy: 0.783725838493841
Energy: 0.7822211419087672
Energy: 0.7616179778223579
Energy: 0.8456623456328749
Energy: 0.8008878453317619
Energy: 0.7299562841909524
Energy: 0.7588619166611581
Energy: 0.7906408053713684
Energy: 0.7875837860600206
Energy: 0.760809646747876
Energy: 0.7748022015893207
Energy: 0.7584935758043668
Energy: 0.7992036204767056
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Energy: 0.7299588363820376
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Energy: 0.7637629021784982
Energy: 0.7905875348820678
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Energy: 0.7564524542419816
Energy: 0.7771162374711679
Energy: 0.754991607173599
Energy: 0.7970065821311528
Energy: 0.8259817317848231
Energy: 0.7726380859544225
Energy: 0.7454817097307388
Energy: 0.767678164269387
Energy: 0.7577326193427397
Energy: 0.7575345474232844
Energy: 0.7726592765108005
Energy: 0.7631700365179973
Energy: 0.7995104622730214
Energy: 0.7574049776698971
Energy: 0.7602612791188056
Energy: 0.7776331035455399
Energy: 0.7559240199616066
Energy: 0.7981356979830674
Energy: 0.7575004981224958
Energy: 0.7342026060208475
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Energy: 0.7611379752990926
Energy: 0.8128362496238927
Energy: 0.760004952913909
Energy: 0.7582692755556643
Energy: 0.7780094240401437
Energy: 0.7571613449150477
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Energy: 0.7342949075778497
Energy: 0.76856056233705
Energy: 0.7535802312055037
Energy: 0.7722171377808627

minimum gb energy = 0.7291699165318319 eV
minimum distance =  2.25048970064318 Angstroms
sigma value = 219


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

Energy: 1.3389112757285213
Energy: 0.9489096920897592
Energy: 0.9945412499194916
Energy: 0.9565109193322064
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Energy: 0.959432530826008
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Energy: 0.9427122860589621
Energy: 0.9368360143550857
Energy: 0.9591895356718054
Energy: 0.9440399731914083
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Energy: 0.9419970176475279
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Energy: 1.0568408042703248
Energy: 0.9889719534641627
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Energy: 0.9501935942601448
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Energy: 0.9588342265072857
Energy: 0.984347132520213
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Energy: 0.9418624033090938
Energy: 0.9591536043935431
Energy: 0.9839591184973764
Energy: 0.9384942604701867
Energy: 0.9188642252322915
Energy: 0.9192427702734685
Energy: 0.9404043588579207
Energy: 1.0044941793832358
Energy: 0.9396236144444321
Energy: 1.1801739004415137
Energy: 0.9185736313241625
Energy: 0.9400060547740683
Energy: 0.9846245190450686
Energy: 0.9387807389867447
Energy: 0.9387483159865299
Energy: 0.9491029808604254
Energy: 0.9441572266346799
Energy: 0.9420533899476574
Energy: 0.938852546221525
Energy: 0.9385671041493806
Energy: 0.9493239411439234
Energy: 0.9441153358941279
Energy: 0.9417400200211743
Energy: 0.9389826156133004
Energy: 0.9193741866309035
Energy: 0.9400883545264438
Energy: 0.9439826307444148
Energy: 1.0056423723367578
Energy: 0.9398743303405658
Energy: 0.9200825874091071
Energy: 0.9401922127712
Energy: 0.9437573078603684
Energy: 0.9694558720403701
Energy: 0.9385456185258341

minimum gb energy = 0.9185736313241625 eV
minimum distance =  2.30718613623878 Angstroms
sigma value = 15


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

Energy: 1.5440693609893723
Energy: 1.0376934294136246
Energy: 1.096646307257502
Energy: 1.0985016858470014
Energy: 1.0560671664611188
Energy: 1.0671976117813629
Energy: 1.1026025812333693
Energy: 1.097384399438903
Energy: 1.0820971257053327
Energy: 1.0558459399130644
Energy: 1.111261689519891
Energy: 1.0791651938485733
Energy: 1.0588997720872582
Energy: 1.061693729771451
Energy: 1.1155946358580804
Energy: 1.1280867429395047
Energy: 1.07858228065338
Energy: 1.056758100538345
Energy: 1.0581111331456035
Energy: 1.0793003965605807
Energy: 1.1019357480083924
Energy: 1.0812237616786415
Energy: 1.079718293677285
Energy: 1.0500220899603367
Energy: 1.0984091589323208
Energy: 1.1039887387611085
Energy: 1.0799788687083585
Energy: 1.07962032400747
Energy: 1.0784745478071789
Energy: 1.098475278155213
Energy: 1.1698474850772882
Energy: 1.117171296573324
Energy: 1.1430678310553701
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minimum gb energy = 1.0346500725039027 eV
minimum distance =  2.29967392071667 Angstroms
sigma value = 293


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

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Energy: 1.0779562022505698
Energy: 1.1236142231390904
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Energy: 1.1345948557482362
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Energy: 1.145300406714409
Energy: 1.1450148926283972
Energy: 1.1305391615472302
Energy: 1.1483572343950554
Energy: 1.1367498275857966
Energy: 1.0574205378473933
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Energy: 1.0294119181562458
Energy: 1.0258086173248804
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Energy: 1.1057576704573535
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Energy: 1.0673802085207604
Energy: 1.1135762906300044
Energy: 1.1399863882790682
Energy: 1.1417414692756196
Energy: 1.1052732542044525
Energy: 1.067263673323939
Energy: 1.1485476645856554
Energy: 1.0975804517283632
Energy: 1.0673952300849496
Energy: 1.1268962827167326
Energy: 1.0280783710264907
Energy: 1.096425444427614
Energy: 1.0798482752444893
Energy: 1.1302892811313958
Energy: 1.1272826938861087
Energy: 1.148506295594881
Energy: 1.1408050852843445
Energy: 1.0697421994384264
Energy: 1.0676971394234824
Energy: 1.105380531411977
Energy: 1.0292677616686323
Energy: 1.0577557082806963
Energy: 1.0696692713281082
Energy: 1.0680305918247877
Energy: 1.1042292970466832
Energy: 1.029191486875113
Energy: 1.0759768218311692
Energy: 1.0559661185702702
Energy: 1.0663685533899236
Energy: 1.1286380400792555
Energy: 1.117215567499851
Energy: 1.0597565502421586
Energy: 1.058379042392666
Energy: 1.0667878833640203
Energy: 1.134118044044823
Energy: 1.1169656749445975
Energy: 1.0793841952377436
Energy: 1.107924256835609
Energy: 1.0776213216270485
Energy: 1.101086068654569
Energy: 1.1012730663920693
Energy: 1.0795429857703802
Energy: 1.107771151824758
Energy: 1.0774360299237948
Energy: 1.10061541708557
Energy: 1.1002331054823424
Energy: 1.0798720993993323
Energy: 1.0798075342610614
Energy: 1.0868661295581121
Energy: 1.0685616210880997
Energy: 1.1358183684297611
Energy: 1.103323826425726
Energy: 1.0816068645427968
Energy: 1.07771799900183
Energy: 1.1410277917620273
Energy: 1.1299624074576877
Energy: 1.1347251452593226
Energy: 1.1229923260541383
Energy: 1.1569219721669286
Energy: 1.1347817634361494
Energy: 1.1298955876009495
Energy: 1.13507374135802
Energy: 1.1237986029731095
Energy: 1.1575989105500457
Energy: 1.1346636335262184
Energy: 1.1284553410950742
Energy: 1.0261939739402481
Energy: 1.0778008740180252
Energy: 1.1344278288557872
Energy: 1.0580866117429222
Energy: 1.1318677589476145
Energy: 1.1480098195772013
Energy: 1.0778209901368052
Energy: 1.1343664675071632
Energy: 1.0612052418517655
Energy: 1.1483392786443203

minimum gb energy = 1.0258086173248804 eV
minimum distance =  2.26008589429124 Angstroms
sigma value = 293


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

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Energy: 1.0160826771514777
Energy: 1.10352811709588
Energy: 1.0291280501039788
Energy: 1.0163021630018414
Energy: 1.0192614209700448
Energy: 1.028726083932619
Energy: 1.1041001300989863
Energy: 1.028514982726831
Energy: 1.0165316043857755
Energy: 1.02250261104307
Energy: 1.02725461795191
Energy: 1.027131220992292
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Energy: 1.0168394647532382
Energy: 1.0281440456182465
Energy: 1.0282225440611845
Energy: 1.0286431608111042
Energy: 1.029215429049048
Energy: 1.0252928968980182
Energy: 1.0257711965248233
Energy: 1.1143230179423411
Energy: 1.0287244563139073
Energy: 1.0287811043439932
Energy: 1.0256265329928227
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Energy: 1.1055698663326765
Energy: 1.10480585488144
Energy: 1.0209764392996103
Energy: 1.016895404752127
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Energy: 1.0161456566595137
Energy: 1.1041173964206743
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Energy: 1.111461237427191
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Energy: 1.0181095429507137
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Energy: 1.0284285902676475
Energy: 1.116310126172621
Energy: 1.028347916927833
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Energy: 1.019875747178382
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Energy: 1.0277379745479471
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Energy: 1.0252920142415851
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Energy: 1.0303355826599834
Energy: 1.0269755249970358
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Energy: 1.1055882180510868
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Energy: 1.0212789173146837
Energy: 1.0169775752292671
Energy: 1.027534536553092
Energy: 1.1056802534692844
Energy: 1.104393222403957
Energy: 1.0204419179823394
Energy: 1.0166027559251478
Energy: 1.0284857252941932
Energy: 1.105648507637258
Energy: 1.0285976955486134
Energy: 1.0169685315470067
Energy: 1.0200021100536452
Energy: 1.1094136455088366
Energy: 1.0276674728902602
Energy: 1.0280447527095453
Energy: 1.016862666880724
Energy: 1.0208202871660865
Energy: 1.0269723945684635
Energy: 1.028490176398406
Energy: 1.028584123980055
Energy: 1.1050037210710373
Energy: 1.0283107688817328
Energy: 1.0261614223924553
Energy: 1.016766181579756
Energy: 1.0290615716819482
Energy: 1.1040330820198136
Energy: 1.028415594044964
Energy: 1.025225690229603
Energy: 1.0162377188369611
Energy: 1.1043181840078562
Energy: 1.0191938167223114
Energy: 1.028065768621718
Energy: 1.028388144775899
Energy: 1.1114362120875738
Energy: 1.1041674576734888
Energy: 1.018113853201469
Energy: 1.0279407239192575
Energy: 1.0285024919929977
Energy: 1.1110612149326486
Energy: 1.0284098186269874
Energy: 1.1137058621557874
Energy: 1.0258618561243575
Energy: 1.020001079155189
Energy: 1.0167569299968937
Energy: 1.0288468560846402
Energy: 1.1148631995887712
Energy: 1.0250584445665882
Energy: 1.0194258145938309
Energy: 1.0169610489101928
Energy: 1.0263382747962295
Energy: 1.0171079985981581
Energy: 1.027396698338486
Energy: 1.017514307945294
Energy: 1.1129828558159702
Energy: 1.02677503338258
Energy: 1.0276300104931257
Energy: 1.0274443848902548
Energy: 1.0164459154354673
Energy: 1.0276608997164722
Energy: 1.0254704442317835
Energy: 1.025482825864926
Energy: 1.1148292578668955
Energy: 1.0287418457022943
Energy: 1.0294940407683675
Energy: 1.025234832358723
Energy: 1.0252074666196325
Energy: 1.1161680372558365
Energy: 1.029111287657874
Energy: 1.0298323693367633
Energy: 1.0219672006731757
Energy: 1.0279231210168043
Energy: 1.0292163965538188
Energy: 1.1046028127494616
Energy: 1.1139383092121569
Energy: 1.0211018334554265
Energy: 1.0279223705537701
Energy: 1.0187780768544248
Energy: 1.104285503026201
Energy: 1.1139278593458246

minimum gb energy = 1.0160826771514777 eV
minimum distance =  2.25317553820934 Angstroms
sigma value = 15


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

Energy: 1.0310535289911453
Energy: 1.130063096428869
Energy: 1.129141010160934
Energy: 1.1184500092328702
Energy: 1.1347669425663287
Energy: 1.0285096203546564
Energy: 1.1541794057999397
Energy: 1.1533185397627086
Energy: 1.0701773233355578
Energy: 1.0480689201626545
Energy: 0.9998352410296235
Energy: 1.0853802216677921
Energy: 1.0271195020736366
Energy: 1.0407023525965273
Energy: 1.1536793148996725
Energy: 1.0086675877558668
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Energy: 1.1016650955521374
Energy: 1.1375971254653792
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Energy: 1.0465067997009099
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Energy: 1.1002500343653496
Energy: 1.0792787711585878
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Energy: 1.115271581897458
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Energy: 1.1129227569896005
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Energy: 1.0166287235138924
Energy: 1.0025031366660127
Energy: 1.1036080510012716
Energy: 1.1259392024553105
Energy: 1.068434167175712
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Energy: 1.0289234058788104
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Energy: 1.0277150866643667
Energy: 1.0304778033407846
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Energy: 1.104497544427998
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Energy: 1.0399623262090625
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Energy: 1.1301467327548211
Energy: 1.0470199660975275
Energy: 1.1126727235152938
Energy: 1.156000497219268
Energy: 1.1303866227361117
Energy: 1.1383263104388095
Energy: 1.1108112062566267
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Energy: 1.1153380364136354
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Energy: 1.1018570092004343
Energy: 1.026616575490956
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Energy: 1.1383900689902726
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Energy: 1.1024011166187675
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Energy: 1.0221729308194956
Energy: 1.0072014437509353
Energy: 1.0192337426566833
Energy: 1.0198453910144618
Energy: 1.1222217895811668
Energy: 1.021604157005925
Energy: 1.0078256878465985
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Energy: 1.1127322379399909
Energy: 1.1478800415493775
Energy: 1.0086294220045295
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Energy: 1.0949661926821184
Energy: 1.1123050119118356
Energy: 1.1051154991059562
Energy: 1.0090403901699119
Energy: 1.0194557899462733
Energy: 1.1181240119450466
Energy: 1.0931682017283912
Energy: 1.0225483716856085
Energy: 1.030898032747886
Energy: 1.0497865953211822
Energy: 1.11938944179727
Energy: 1.0925994078239674
Energy: 1.0221088845130415
Energy: 1.2115530007407485
Energy: 1.0904860504969822
Energy: 1.0211327925350182
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Energy: 1.1042379520451684
Energy: 1.2002957049240977
Energy: 1.046314070265863
Energy: 1.0179436628498093
Energy: 1.0175277691964564
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Energy: 1.2004166344063472
Energy: 1.0467759610580252
Energy: 1.0358605968822427
Energy: 1.0161890577800707
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Energy: 1.1651116388742786
Energy: 1.0210287115109329
Energy: 1.0237550540127243
Energy: 1.0142447217787456
Energy: 1.009956120841003
Energy: 1.1138606223592291
Energy: 1.0184987840486186
Energy: 1.0262386120177847
Energy: 1.181193810651924
Energy: 1.129898933764677
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Energy: 1.1579307355781356
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Energy: 1.1056358357906713
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Energy: 1.1454977791199623
Energy: 0.9878867613834013
Energy: 1.0295542324835276
Energy: 1.1588268580764696
Energy: 1.1450361193276282
Energy: 1.1890936945427972
Energy: 1.0060922637007599
Energy: 1.0060890342342779
Energy: 1.0985996783859053
Energy: 1.0236524924967343
Energy: 1.1170578105566982
Energy: 1.1589795374732945
Energy: 1.0055919866749712
Energy: 1.100234994239187
Energy: 1.0224110902814425
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Energy: 1.1661843907183662
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Energy: 1.0725126779321508
Energy: 1.1051888015294586
Energy: 1.0460025794520167
Energy: 1.1293114873424002
Energy: 1.1114013942756662
Energy: 1.0955675707054924
Energy: 1.1047359542530706
Energy: 1.1022774432759694
Energy: 1.1297416952760582
Energy: 1.130511760450642
Energy: 1.1321493275911865
Energy: 1.2123375480683392
Energy: 1.1208448679029153
Energy: 1.1286120038914076
Energy: 1.1207485299769635
Energy: 1.138521800397719
Energy: 1.099042788445208
Energy: 1.117785235714558
Energy: 1.1300074183240552
Energy: 1.127213026545457
Energy: 1.1077939137250095
Energy: 1.1014176648854659
Energy: 1.0311701714773565
Energy: 1.1926476379716133
Energy: 1.150074435313896
Energy: 1.104099097619285
Energy: 1.1017396836103068
Energy: 1.0167104957112154
Energy: 1.2327189561231804
Energy: 1.1729280637803403
Energy: 1.0079601076470943
Energy: 1.0170216976828277
Energy: 1.1497697463018388
Energy: 1.2186294200771217
Energy: 1.1429834652171948
Energy: 1.0088927037442559
Energy: 1.0176929727725073
Energy: 1.150464277509091
Energy: 1.2588753832400463
Energy: 1.0178133939132687
Energy: 1.0089157128261237
Energy: 1.0162402428755322
Energy: 1.1657738693587847
Energy: 1.258977116622563
Energy: 1.016917801108322
Energy: 1.0080872989982554
Energy: 1.0161606091848556
Energy: 1.1658657363098912
Energy: 1.2410008257623588
Energy: 1.0202361139554315
Energy: 1.0084867976744223
Energy: 1.02083168456915
Energy: 1.0963067799361954
Energy: 1.1185885209758133
Energy: 1.0193965058421046
Energy: 1.0073843780393097
Energy: 1.0212428981679056
Energy: 1.096862347871359
Energy: 1.1239943395545657
Energy: 1.079143643839222
Energy: 1.0915223775672425
Energy: 1.1341992760770045
Energy: 1.1109501804972484
Energy: 1.1140463483460645
Energy: 1.0714670108925117
Energy: 1.0462226342993035
Energy: 1.134973071215348
Energy: 1.1034574692419457
Energy: 1.0988202029483503
Energy: 1.0471981232186243
Energy: 1.2047994011996142
Energy: 1.0707573214318615
Energy: 1.0141573321956
Energy: 1.0226032368161169
Energy: 1.0487537713269712
Energy: 1.2206829865970288
Energy: 1.0492535753307395
Energy: 1.0164595994870598
Energy: 1.0237841324060166
Energy: 1.1612705188298953
Energy: 1.1144336638887424
Energy: 1.0147037941309898
Energy: 1.0179109465530016
Energy: 1.0192311858331262
Energy: 1.146560605290182
Energy: 1.0937508597459182
Energy: 1.0151003566814074
Energy: 1.0151481495765209
Energy: 1.021274288777084
Energy: 1.1343315525508115
Energy: 1.113647324218668
Energy: 1.017003070842945
Energy: 1.0173338237273601
Energy: 1.103634458995396
Energy: 1.134826389936516
Energy: 1.1143795941924788
Energy: 1.0161599088050957
Energy: 1.0153541543209161
Energy: 1.1045056248337155
Energy: 1.161279879542027
Energy: 1.0035749277626826
Energy: 1.008926340391371
Energy: 1.0298951935931668
Energy: 1.1038746545783753
Energy: 1.164082063566716
Energy: 1.0034388808402308
Energy: 1.0065545352687382
Energy: 1.031197738514627
Energy: 1.1032121808167648
Energy: 1.0220656006611128
Energy: 1.1050397017746822
Energy: 1.1288238081355937
Energy: 1.0098982394875946
Energy: 1.1048536946222285
Energy: 1.0227713504222253
Energy: 1.1066526740847085
Energy: 1.1450313717910965
Energy: 1.018148245442374
Energy: 1.1053772840833282
Energy: 1.0819174225121184
Energy: 1.0827236370563886
Energy: 1.1299703554808131
Energy: 1.047410098684236
Energy: 1.1115812348773526
Energy: 1.082323267052436
Energy: 1.015433385648807
Energy: 1.1302278549813871
Energy: 1.0470277732084183
Energy: 1.1086315960910404
Energy: 1.1596720063208774
Energy: 1.1291888654133475
Energy: 1.129093952719754
Energy: 1.1101213492790702
Energy: 1.065149935108265
Energy: 1.160517709232174
Energy: 1.1293700650027478
Energy: 1.1310041946843763
Energy: 1.109690675425697
Energy: 1.0744134152737417
Energy: 1.095194259665146
Energy: 1.194892332314987
Energy: 1.1873603428106527
Energy: 1.1623707802006145
Energy: 1.1023152721406786
Energy: 1.0857949721713767
Energy: 1.189269680498914
Energy: 1.2136749073282207
Energy: 1.1607865597145923
Energy: 1.1378859452244292
Energy: 1.186548084161486
Energy: 1.2001573751610624
Energy: 1.2037392077416966
Energy: 1.1602704182102601
Energy: 1.0227243894825728
Energy: 1.1596232376684443
Energy: 1.200543172900176
Energy: 1.2022426852691248
Energy: 1.1603082015138917
Energy: 1.0238082673215836
Energy: 1.017756291532588
Energy: 1.135650765487539
Energy: 1.020846719720651
Energy: 1.0064197357437188
Energy: 1.0205787506563913
Energy: 1.0194057345841243
Energy: 1.1603635298866979
Energy: 1.021252339911782
Energy: 1.006864730824376
Energy: 1.0220319404356393
Energy: 1.0161292012603518
Energy: 1.10414716194052
Energy: 1.148279421403396
Energy: 1.007739851049215
Energy: 1.018215594903025
Energy: 1.07815477784204
Energy: 1.110723406003891
Energy: 1.1035909179151895
Energy: 1.0076863720791687
Energy: 1.0195118194693715
Energy: 1.119399737167299
Energy: 1.097125018422021
Energy: 1.0184250538350825
Energy: 1.0183452349855997
Energy: 1.0880232633097984
Energy: 1.114508010756556
Energy: 1.0962727092216635
Energy: 1.0160430756595096
Energy: 1.0167595802763938
Energy: 1.1069852192059875
Energy: 1.0140473124015623
Energy: 1.0067323192567295
Energy: 1.0625046590576772
Energy: 1.2005339655884244
Energy: 1.0463842737704898
Energy: 1.015489968966137
Energy: 1.016349040548967
Energy: 1.1265924990611906
Energy: 1.201126169161368
Energy: 1.0469030614730275
Energy: 1.0216197556659488
Energy: 1.0065173374823722
Energy: 1.0210534763595296
Energy: 1.1808608329458115
Energy: 1.0201590072361024
Energy: 1.0209067293988392
Energy: 1.012993191225479
Energy: 1.0222623730541172
Energy: 1.1359753060761573
Energy: 1.017225640425197
Energy: 1.0194805267923304
Energy: 1.0544233395865186
Energy: 1.1268849003031114
Energy: 1.129786627844236
Energy: 1.153979391718385
Energy: 1.0239981475958237
Energy: 1.0365787240735853
Energy: 1.1264811179017058
Energy: 1.0996822496838796
Energy: 1.180000716350456
Energy: 1.0285667145921495
Energy: 1.1640819434712533
Energy: 1.1010153546734582
Energy: 1.0926120526533005
Energy: 0.9922011447131055
Energy: 1.0289810059975997
Energy: 1.154413347153893
Energy: 1.3129907704051011
Energy: 1.1234547483512431
Energy: 0.9967801675270864

minimum gb energy = 0.9878867613834013 eV
minimum distance =  2.20857708248383 Angstroms
sigma value = 437


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

Energy: 1.307888049358264
Energy: 0.9326218953557153
Energy: 1.0752056856517995
Energy: 1.1696370224868669
Energy: 0.9327070886718718
Energy: 1.3086206795660371
Energy: 0.9393012708434728
Energy: 1.0765804033450128
Energy: 1.170658600760876
Energy: 1.1158162000033025
Energy: 1.0120134363385649
Energy: 1.141652257853087
Energy: 1.0941421379131155
Energy: 1.0934571085863958
Energy: 1.151121552613312
Energy: 1.0228297601717606
Energy: 1.1420568786911038
Energy: 1.0928316742275057
Energy: 1.147636968336823
Energy: 1.0420508126797456
Energy: 1.021012742425598
Energy: 1.0384202188716782
Energy: 1.056713245884265
Energy: 0.9888173562837794
Energy: 1.0128872610622102
Energy: 1.0189618651089816
Energy: 1.0271224423712233
Energy: 1.0570458208222906
Energy: 0.9868280282481978
Energy: 1.0126213821795031
Energy: 0.9863803209379395
Energy: 0.9831671125433229
Energy: 1.0713976947223258
Energy: 1.1181773195922895
Energy: 1.017411883313535
Energy: 0.9844244321744224
Energy: 0.9883658906999455
Energy: 1.070982798606872
Energy: 1.0393690598704153
Energy: 1.012631559328685
Energy: 1.1157171931477416
Energy: 1.1584639175498972
Energy: 1.0515737645777403
Energy: 1.0172127646359324
Energy: 1.002804644480807
Energy: 1.1168351669711853
Energy: 1.1548184471321146
Energy: 1.0497162651988938
Energy: 1.0173474116047696
Energy: 1.189308388532717
Energy: 1.0915043410812393
Energy: 0.982358600906845
Energy: 1.016820246409179
Energy: 1.1189877528695065
Energy: 1.3113899403112415
Energy: 1.0924918433766762
Energy: 0.9823230605617621
Energy: 1.0347613504020217
Energy: 1.1201507685051861
Energy: 1.3113771115741029
Energy: 1.0255659044701282
Energy: 1.0175428862529534
Energy: 1.0154920009035446
Energy: 1.0224615343262635
Energy: 1.1421879066439828
Energy: 1.0245661488900362
Energy: 1.016518473188801
Energy: 1.0154651143477131
Energy: 1.0854803004064777
Energy: 1.1423154583370017
Energy: 1.0264894481495064
Energy: 1.0177494217767273
Energy: 0.981497135868568
Energy: 1.208034375271999
Energy: 1.1444601783867037
Energy: 1.0273924488502935
Energy: 1.0168636689469015
Energy: 0.9820615250227201
Energy: 1.208205295917338
Energy: 1.1431981156590396
Energy: 0.9860876438758949
Energy: 1.0592451971075143
Energy: 1.1543642723989374
Energy: 1.0572095678684716
Energy: 0.9862261743166852
Energy: 0.9846628368480145
Energy: 1.0574726978240205
Energy: 1.1539395965350043
Energy: 1.0575537871807044
Energy: 0.9845920106800813
Energy: 1.0347663028110126
Energy: 1.0618470743284127
Energy: 0.9419736619029931
Energy: 1.1281376562414012
Energy: 1.1535680817717704
Energy: 1.119024849203339
Energy: 1.0639712223131021
Energy: 0.981646528279351
Energy: 1.1264582399186849
Energy: 1.1538121598727589
Energy: 0.9383195117524488
Energy: 0.9375402133923968
Energy: 1.1540533922803782
Energy: 1.0204780214536844
Energy: 0.9427895625696048
Energy: 0.9368088221768812
Energy: 0.9434869356866306
Energy: 1.153129188668128
Energy: 1.0207134624683991
Energy: 0.9834840684165341
Energy: 0.9534716641347689
Energy: 0.9397651516999526
Energy: 0.9409427938942092
Energy: 1.1919095454927746
Energy: 0.9410493015971336
Energy: 0.9389519302708088
Energy: 0.9367958376047031
Energy: 0.9377076741800007
Energy: 1.1519004800529982
Energy: 0.9403257113402924
Energy: 0.9401936249748699
Energy: 0.9815194378635651
Energy: 1.1502296041740374
Energy: 1.147952601773355
Energy: 1.1510414402380695
Energy: 0.9386213526654502
Energy: 0.9815732376477248
Energy: 1.1517598517670227
Energy: 1.1464248109213324
Energy: 1.1530820195125067
Energy: 1.0916546165976975
Energy: 1.0322964517387316
Energy: 1.1677156806686804
Energy: 0.9402307134662408
Energy: 0.9367642364283223
Energy: 1.1028366950523196
Energy: 1.0334786900672188
Energy: 1.102009451054284
Energy: 0.9397947447843142
Energy: 1.057142840563342

minimum gb energy = 0.9326218953557153 eV
minimum distance =  2.21113817658389 Angstroms
sigma value = 33