Model name: model_name=MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001
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=3.613315634429455
cohesive_energy=3.5402784386781683
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=[1.74472228912698e-19, 2.4303577578809396e-19, 2.9282982339618e-19, 3.3400576288998e-19, 3.68277923267874e-19, 3.9739267706092194e-19, 4.2244591308677993e-19, 4.4418745001016e-19, 4.631524148268179e-19, 4.79744556048522e-19, 4.942762981189019e-19, 5.0699277406296e-19, 5.180958581365799e-19, 5.27750574533064e-19, 5.36094710442936e-19, 5.432452247604779e-19, 5.4930145243699795e-19, 5.54351513187366e-19, 5.584707093133799e-19, 5.61724730057034e-19, 5.641712537771519e-19, 5.658647544792899e-19, 5.668500931092e-19, 5.67170528436e-19, 5.66829264812958e-19, 5.65726967288766e-19, 5.637354617327039e-19, 5.60702541364542e-19, 5.564503645779059e-19, 5.50761035350572e-19, 5.433798075977339e-19, 5.339974612290299e-19, 5.22242291265372e-19, 5.076624838959719e-19, 4.89703686005466e-19, 4.676817681711359e-19, 4.40753985483498e-19, 4.0785969701084397e-19, 3.6765948308715e-19, 3.18447025597206e-19, 2.58019331669262e-19, 1.83498892068654e-19, 9.107316727711559e-20, -2.4398746870869e-20, -1.7002298440007997e-19, -3.5654037724719e-19, -6.016269391268039e-19, -9.36537931814994e-19, -1.421004102403914e-18, -2.1790243093053598e-18, -3.49252075739124e-18, -6.071015766851819e-18, -1.19204344834551e-17, -2.75082512821362e-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: 0.015463000273089113
Energy: 0.12857337694261092
Energy: 0.12893286115831182
Energy: 0.1283201483686674
Energy: 0.01981029204035204
Energy: 0.016822134548463805
Energy: 0.12801858530451027
Energy: 0.12962261330841926
Energy: 0.12773473094804932
Energy: 0.020096467294874795
Energy: 0.12690461125628133
Energy: 0.12665595804505703
Energy: 0.12854364327744172
Energy: 0.12978220379397554
Energy: 0.1298273198280643
Energy: 0.12731500900256965
Energy: 0.12675361733070747
Energy: 0.12823751472100242
Energy: 0.13008585819391233
Energy: 0.12918432285364836
Energy: 0.13000894194987753
Energy: 0.019696264847201782
Energy: 0.015882516944045764
Energy: 0.12718370741788945
Energy: 0.1283681220394202
Energy: 0.12923648728616952
Energy: 0.018693916999680153
Energy: 0.015952933155831555
Energy: 0.12672851933405102
Energy: 0.12933753378687848
Energy: 0.12849905803799655
Energy: 0.017841745120901885
Energy: 0.017033250763927192
Energy: 0.12661620647992555
Energy: 0.1266766395067557
Energy: 0.12929790278269396
Energy: 0.017926389882773383
Energy: 0.016032195122274596
Energy: 0.1266304135030887
Energy: 0.12647902129099073
Energy: 0.12795860569833292
Energy: 0.12755195492203758
Energy: 0.130423825350128
Energy: 0.017456588954500873
Energy: 0.01648548350117628
Energy: 0.12746669232355615
Energy: 0.1283210560067975
Energy: 0.1296698323131361
Energy: 0.01863161779409529
Energy: 0.13165309722563395
Energy: 0.12981929831259661
Energy: 0.12722866304201103
Energy: 0.12814597327599864
Energy: 0.016673982897860706
Energy: 0.016015742193149312
Energy: 0.1305005859885228
Energy: 0.1267358028626724
Energy: 0.12877192695556045
Energy: 0.017170337950020403
Energy: 0.016158886230093247
Energy: 0.016202368046962894
Energy: 0.13075506542536774
Energy: 0.12878497019399288
Energy: 0.12987542058799045
Energy: 0.13150078793593534
Energy: 0.01620517907932211
Energy: 0.1318553266674044
Energy: 0.12779699067767333
Energy: 0.1283422802927833
Energy: 0.1307317967434139

minimum gb energy = 0.015463000273089113 eV
minimum distance =  2.51832407739933 Angstroms
sigma value = 3


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

Energy: 1.490658671274446
Energy: 0.8693400044240503
Energy: 0.8723977615899036
Energy: 0.872308756178829
Energy: 0.8431291699891407
Energy: 1.0421361227792194
Energy: 0.8691064918597585
Energy: 0.8719881920918862
Energy: 0.8734219952803912
Energy: 0.8432771720505221
Energy: 0.8623813203253544
Energy: 0.8882007400604098
Energy: 0.8718245704328244
Energy: 0.9681984400300631
Energy: 0.9266614263776385
Energy: 0.8541112732613485
Energy: 0.8738729791217549
Energy: 0.8718110039579173
Energy: 0.8721717669677572
Energy: 0.9626282288143055
Energy: 0.8623450905051052
Energy: 0.8967356243950875
Energy: 0.7596540875914755
Energy: 0.8587623382925721
Energy: 0.9383142796667536
Energy: 0.8623281583612803
Energy: 0.7563469276321706
Energy: 0.7607039900202485
Energy: 0.8627317418504246
Energy: 0.8941586381808692
Energy: 0.8624496531762608
Energy: 0.9616940712084893
Energy: 0.7958078695442491
Energy: 0.8590307169047878
Energy: 0.8939604263474871
Energy: 0.8626758833209561
Energy: 0.8747823125549181
Energy: 0.7590571595226621
Energy: 0.8621564489569475
Energy: 0.8937315397709109
Energy: 0.8717490262283099
Energy: 0.845923148577431
Energy: 0.9158929999200625
Energy: 0.8338610075427335
Energy: 0.8278294010011664
Energy: 0.8714419909599335
Energy: 0.8451948339141802
Energy: 0.9157652636532408
Energy: 0.9180267515045398
Energy: 0.8271222846697395
Energy: 0.9245853321485215
Energy: 0.8475615425179215
Energy: 0.9155149294996701
Energy: 0.7998275124955304
Energy: 0.9154029663542915
Energy: 0.8474362248088473
Energy: 0.846339096193093
Energy: 0.915518456345535
Energy: 0.8004042109623611
Energy: 0.9159833759124499
Energy: 1.036045428528897
Energy: 0.8724055604428006
Energy: 0.8304318421469638
Energy: 0.799312535561742
Energy: 0.8718596283573572
Energy: 0.8724076812353165
Energy: 0.9712353884535487
Energy: 0.873604817621119
Energy: 0.7996773013424652
Energy: 0.8723806319900794
Energy: 1.1083641437693714
Energy: 0.8723593062918226
Energy: 0.9519944429902045
Energy: 0.869252592745085
Energy: 0.8716792854957677
Energy: 0.89510686753186
Energy: 0.873445440911438
Energy: 0.9055901029068865
Energy: 0.8691880827893035
Energy: 0.8721803744798768
Energy: 0.9583782641479842
Energy: 0.7992081558716554
Energy: 0.799284366453663
Energy: 0.8720685693268125
Energy: 0.8717901055986337
Energy: 0.9591810357555394
Energy: 0.7947119820173217
Energy: 0.8455850090188054
Energy: 0.798017029077067
Energy: 0.8711744762938468
Energy: 0.9323023612685133
Energy: 0.8339801526534912
Energy: 0.7990706506215118
Energy: 0.8310563266325118
Energy: 0.7956678204940443
Energy: 0.8633566640736207
Energy: 0.8337527153507875
Energy: 0.7996854258346694
Energy: 0.8264689902533936
Energy: 0.7581308840526404
Energy: 0.8723667820598462
Energy: 0.8341087499971022
Energy: 0.8330355250108854
Energy: 0.8325853054384215
Energy: 0.7568903872409048
Energy: 0.8811619718244206
Energy: 0.8334387809073626
Energy: 0.8347333401845973
Energy: 0.8326987009067937
Energy: 0.8104827891496901
Energy: 0.9183058261297989
Energy: 0.7981649317060174
Energy: 0.9843198349648098
Energy: 0.9988309193374887
Energy: 1.0035991851058317
Energy: 0.795215506604265
Energy: 0.7972291703531428
Energy: 1.0058393979600169
Energy: 1.100742831652497
Energy: 1.0031553223298495
Energy: 0.9362212449586204
Energy: 0.8335868701438632
Energy: 0.9179457131920444
Energy: 0.9326743591429093
Energy: 0.9366636845133489
Energy: 0.9364765424177474
Energy: 0.8358559607016891
Energy: 0.9178512140039408
Energy: 0.9093922760160559
Energy: 0.9354747364711169
Energy: 0.7960632763194968
Energy: 0.797803139726244
Energy: 0.9524849532371686
Energy: 0.8670721080477336
Energy: 0.9070567989983088
Energy: 0.7957228296024462
Energy: 0.7980054525134962
Energy: 0.9521808707022058
Energy: 0.8672306085836151
Energy: 0.9082739860232865
Energy: 0.8818390912932166
Energy: 0.8647360611188638
Energy: 0.8666313238574447
Energy: 0.8667005144041017
Energy: 0.8648566188217716
Energy: 1.405359463341389
Energy: 0.864927177879556
Energy: 0.8673566171373798
Energy: 0.866762836578021
Energy: 0.8646056740297081
Energy: 0.7960558038866321
Energy: 0.9410124210878722
Energy: 0.8673938834632124
Energy: 0.9580260019886483
Energy: 0.7998872798174459
Energy: 0.8282110362965355
Energy: 0.8685327269440546
Energy: 0.8687253531687081
Energy: 0.8677408431832365
Energy: 0.7991726881515956
Energy: 0.8348309343640669
Energy: 0.7560147168804278
Energy: 0.7614703331463797
Energy: 0.8333225725837856
Energy: 0.8338987492925827
Energy: 0.8650050644438941
Energy: 0.757328627857824
Energy: 0.7595037622058329
Energy: 0.7964482139751106
Energy: 0.8055417652868051
Energy: 0.8363763044633715
Energy: 0.7619620322275025
Energy: 0.759092001837719
Energy: 0.8327784005653667
Energy: 0.8240684632959268
Energy: 0.8369538725302111
Energy: 0.762044767031964
Energy: 0.759720135390484
Energy: 0.8367637914776875
Energy: 0.9384270431053625
Energy: 0.8720866519887441
Energy: 0.9594773083043421
Energy: 0.9158184423388605
Energy: 0.8418848291561705
Energy: 0.8428871197993814
Energy: 0.8715567435035071
Energy: 0.8694741538222086
Energy: 0.9163594800060378
Energy: 0.8394635937211066
Energy: 0.8434328801528777
Energy: 0.9355276251213052
Energy: 0.8471060105074993
Energy: 0.9163667856105242
Energy: 0.7997131478530202
Energy: 0.9164274475693382
Energy: 0.9367795813148561
Energy: 0.8459050030001531
Energy: 0.9161296862914841
Energy: 0.9007013507477758
Energy: 0.9173045772524022
Energy: 0.956478850069296
Energy: 0.9644121702918353
Energy: 0.8264059141957173
Energy: 0.7992126395761595
Energy: 0.8716666608412568
Energy: 0.8863645912874702
Energy: 1.0993362250199228
Energy: 0.826585217473348
Energy: 0.7994242934632629
Energy: 0.8723406348074414
Energy: 1.0494338995108912
Energy: 0.8720628830302163
Energy: 0.8696302211074846
Energy: 0.8227800254916079
Energy: 0.8716607107745562
Energy: 0.8719806077624342
Energy: 0.87310034357329
Energy: 0.8689806051163634
Energy: 0.8712668648779789
Energy: 0.8713776243787422
Energy: 1.0353442845538943
Energy: 0.8734250113442578
Energy: 0.7994383845514316
Energy: 0.8701180013141959
Energy: 0.8715337461872108
Energy: 1.035941790563265
Energy: 0.8728314428781465
Energy: 0.7996673696085669
Energy: 0.8727422653898683
Energy: 0.8709150633155781
Energy: 0.8003062111916575
Energy: 0.8353979900439518
Energy: 0.7988069180443084
Energy: 0.8301995306911537
Energy: 0.756904058603655
Energy: 0.864996266913609
Energy: 0.8345336581167729
Energy: 0.7994998857560424
Energy: 0.8302328223791529
Energy: 0.8097543648706838
Energy: 0.7993168964105708
Energy: 0.8340509736860209
Energy: 0.8338896318511668
Energy: 0.8649628559332669
Energy: 0.7591671114978528
Energy: 0.8253013113577964
Energy: 0.7996945021774906
Energy: 0.8338852677843266
Energy: 0.8655914781671733
Energy: 0.809193112697181
Energy: 1.0460041489542715
Energy: 0.800143083037468
Energy: 0.8158256852511685
Energy: 1.0126933999301253
Energy: 0.8649018209128426
Energy: 0.8625158491013561
Energy: 0.9409398663137011
Energy: 0.8829952412980793
Energy: 0.9564752204794253
Energy: 0.8650571424751847
Energy: 0.9436114934926269
Energy: 1.1892760648149097
Energy: 0.9435003906241741
Energy: 0.8915589097867286
Energy: 0.9366378463582931
Energy: 0.9432789091096458
Energy: 0.8601162284365107
Energy: 0.9432423084754331
Energy: 0.8476272431155285
Energy: 0.9353624055474925
Energy: 0.8540110082143751
Energy: 0.9088900915158681
Energy: 0.9579537976243533
Energy: 0.8656353093796811
Energy: 0.9300020036451822
Energy: 0.8541082744550834
Energy: 0.9093916709303407
Energy: 0.9560957482357516
Energy: 0.8643756038505941
Energy: 0.9045681040298147
Energy: 0.8527648447070453
Energy: 0.8687957351450685
Energy: 0.87229415448361
Energy: 0.8726201697154384
Energy: 0.8433657450334742
Energy: 0.9014904590019756
Energy: 0.8691714731968734
Energy: 0.8718793263804431
Energy: 0.8736785238943297
Energy: 0.8440676596177746

minimum gb energy = 0.7560147168804278 eV
minimum distance =  2.35885516266767 Angstroms
sigma value = 75


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

Energy: 1.9580161138268048
Energy: 1.0193198232493896
Energy: 1.0183564847689
Energy: 1.0213047188040882
Energy: 0.9976426263814322
Energy: 1.0157816924804133
Energy: 1.0214226392195798
Energy: 0.958583664007635
Energy: 1.0076960550566822
Energy: 1.0239956163584178
Energy: 1.029100636723436
Energy: 1.1110173552984797
Energy: 0.9487018658592877
Energy: 1.0558260958119556
Energy: 0.9343893965551815
Energy: 1.0275141204758589
Energy: 1.0016873227343115
Energy: 0.9295387151973649
Energy: 0.9822933644235671
Energy: 0.9462319098387839
Energy: 1.0335607580530963
Energy: 1.1081564851765517
Energy: 1.0770606704220125
Energy: 0.9603465026143579
Energy: 1.000537401775374
Energy: 0.9695549327362677
Energy: 1.1106210937438463
Energy: 1.0919038586515395
Energy: 1.0223583600114694
Energy: 0.9560251194369115
Energy: 1.0078196427278252
Energy: 0.9700972554151026
Energy: 1.0306548097233283
Energy: 0.9706664681922362
Energy: 0.9833973381879305
Energy: 1.0031680237540865
Energy: 0.9703987948128852
Energy: 0.9448816752289673
Energy: 0.9976076844119961
Energy: 0.9910633585575156
Energy: 1.0016574465933639
Energy: 0.9850980277149813
Energy: 1.0157701357447873
Energy: 1.1177596426410903
Energy: 1.0224560578790274
Energy: 1.0720158746360815
Energy: 0.9621052731159858
Energy: 1.0060850809110176
Energy: 0.9676942945190196
Energy: 1.0644240629757784
Energy: 1.037156416539824
Energy: 1.024298675956381
Energy: 1.0256961462384429
Energy: 0.9559770733056178
Energy: 1.0108774928296025
Energy: 1.0121997143584924
Energy: 1.0067225276432175
Energy: 1.0072254639202058
Energy: 1.0034069579401244
Energy: 0.9925067508507501
Energy: 0.9404652061551881
Energy: 0.9593433180942889
Energy: 0.9779547259383997
Energy: 0.9443676815183364
Energy: 0.9493539282036035
Energy: 0.9585081765949947
Energy: 0.9924194515229755
Energy: 0.9900560815380262
Energy: 0.9422225738636566
Energy: 0.9704691896275913
Energy: 1.0018099898794968
Energy: 1.0522085016411111
Energy: 1.106658225614037
Energy: 1.0851404276826906
Energy: 0.977212484837701
Energy: 0.9828869029824268
Energy: 1.0189574183983725
Energy: 1.0994620823632648
Energy: 1.0914644814829804
Energy: 1.011409278381434
Energy: 0.985874935680838
Energy: 1.0087799538323632
Energy: 0.953368050310006
Energy: 1.16551543763877
Energy: 0.9502831258351515
Energy: 1.0015361985226992
Energy: 1.0536791983207288
Energy: 0.9597917143795959
Energy: 1.0297906965878993
Energy: 0.9463553758124766
Energy: 1.0504231819700902
Energy: 0.9880573107540039
Energy: 0.9621553024147448
Energy: 1.0680633434124993
Energy: 1.0980883913466113
Energy: 1.0240627421817496
Energy: 0.9937438923271933
Energy: 0.9597959036816738
Energy: 1.033293837561489
Energy: 1.0509701532249172
Energy: 1.0588063810927946
Energy: 1.0360135574789708
Energy: 1.0522415727412318
Energy: 1.0572738852717949
Energy: 1.0791586233144645
Energy: 1.003148452725974
Energy: 1.02399943061065
Energy: 1.0005006702845998
Energy: 1.0423916471061545
Energy: 1.084415645155708
Energy: 0.9891474082245331
Energy: 0.9913951528624153
Energy: 1.0715867153158185
Energy: 1.0223324505109455
Energy: 1.0028958127307253
Energy: 0.9360861423747583
Energy: 0.9634567049051065
Energy: 0.9868141501404534
Energy: 1.0569726246664104
Energy: 1.0641131602964888
Energy: 0.9927601214439766
Energy: 0.9847290716267427
Energy: 1.051630247585371
Energy: 1.12776383867047
Energy: 1.0462437656062538
Energy: 0.9816180459653507
Energy: 0.9823227217262942
Energy: 1.001873954264991
Energy: 1.4216161673362995
Energy: 1.0471551830764751
Energy: 1.0041946263332944
Energy: 0.9758490395039287
Energy: 1.0911430143952665
Energy: 0.9712737412569776
Energy: 1.012446671592945
Energy: 0.9386512004319688
Energy: 0.9858747549590713
Energy: 1.0103579567793617
Energy: 0.9831548425417233
Energy: 1.0107760949743638
Energy: 1.0803379911639404
Energy: 1.0319909960065001
Energy: 1.0337697474288474
Energy: 1.0122887306081354
Energy: 1.0771638107119106
Energy: 1.1040449442252727
Energy: 1.0326473599151045
Energy: 0.9976059056649303
Energy: 1.0296439489046014
Energy: 1.0684071947275502
Energy: 1.0488476643108087
Energy: 1.1075427287709811
Energy: 0.9449473504112114
Energy: 1.0083699269419426
Energy: 1.089428043384726
Energy: 1.0997429670702326
Energy: 1.0168424469394672
Energy: 0.9703289920425174
Energy: 1.0072098554867412
Energy: 0.9797430529807701
Energy: 0.9851033325532683
Energy: 0.9211224780567837
Energy: 0.9264423973572454
Energy: 1.0476271000091828
Energy: 0.9579671536418448
Energy: 0.9764235431343142
Energy: 0.9788284646918048
Energy: 0.9665043014811274
Energy: 0.9538319583685224
Energy: 0.9590007036959903
Energy: 1.0850148568516287
Energy: 1.018107628538573
Energy: 1.0371844264524352
Energy: 1.0455124926142128
Energy: 1.092215292307887
Energy: 1.0841478353014002
Energy: 1.021287048156506
Energy: 1.02306705079868
Energy: 1.0585891220061494
Energy: 1.0919668792619426
Energy: 1.0362133651457164
Energy: 0.9576504965274159
Energy: 0.9684269045947657
Energy: 1.0529843222808908
Energy: 0.950535075678989
Energy: 1.0229793729449554
Energy: 0.9283323402762841
Energy: 0.969367237759755
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minimum gb energy = 0.9111609585337254 eV
minimum distance =  2.24915466743466 Angstroms
sigma value = 105


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

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Energy: 1.0304555367699408
Energy: 1.0214842930516308
Energy: 0.9985975909314356
Energy: 0.9612779782044778
Energy: 1.0301083536648985
Energy: 1.1923131358077421
Energy: 1.0671828117194024
Energy: 1.031892356085471
Energy: 1.0433709016214177
Energy: 0.9798965724109469
Energy: 1.0654632348672037
Energy: 1.062540975436157
Energy: 1.03070149535623
Energy: 1.0501026763816124
Energy: 1.0027438208990376
Energy: 1.0667105352101178
Energy: 1.028987613818164
Energy: 1.0151618507460514
Energy: 0.9900750890146257
Energy: 1.030501266178836
Energy: 1.0445813631417682
Energy: 1.025757308639293
Energy: 0.9934657064043413
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Energy: 1.0585579525483142
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Energy: 1.0192392064767148
Energy: 0.9913978319924865
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Energy: 0.9883372996718685
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Energy: 1.0157980433991836
Energy: 0.9668513606553386
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Energy: 0.9430991509888027
Energy: 1.0545662537198564
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Energy: 1.0386421757534812
Energy: 0.9427265276581103
Energy: 1.0209158735476613
Energy: 1.1594272224582924
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Energy: 1.0043064766010152
Energy: 1.0142210902196342
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Energy: 1.0191852606668506
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Energy: 1.0263375595016633
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Energy: 1.039005990065315
Energy: 1.0237809086684226
Energy: 0.954306166165419
Energy: 1.0046034279549751
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Energy: 1.02587229648638
Energy: 0.9736294780684416
Energy: 1.0357547194379533
Energy: 1.0026434041850822
Energy: 1.0349129457085058
Energy: 1.0298414164480165
Energy: 0.952397922244324
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Energy: 1.0242875847828072
Energy: 1.035760003215626
Energy: 1.0390149175508052
Energy: 0.9911892850611714
Energy: 1.0368013561501985
Energy: 1.0027245895015533
Energy: 1.0332460693662582
Energy: 1.0130579146549
Energy: 1.0124354317125959
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Energy: 1.0538320989538152
Energy: 1.0269987112189143
Energy: 1.0152386022147462
Energy: 1.0119385248912158
Energy: 1.0271018965425858
Energy: 1.025848262839496
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Energy: 0.9751362759972318
Energy: 1.0227558641489292
Energy: 1.0208000138773634
Energy: 1.0113126900575653
Energy: 0.9450065041773938
Energy: 0.9865800852720009
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Energy: 1.032382010997046
Energy: 0.9393698177486165
Energy: 0.9629752195948955
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Energy: 1.0238205896185812
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Energy: 0.9589563767550563
Energy: 0.9390220626777377
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Energy: 1.0338439176219896
Energy: 0.9394573825972582
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Energy: 0.9427127894926243
Energy: 0.9455888013505793
Energy: 1.0250108394400468
Energy: 0.9399896992765605
Energy: 0.9813669748362821
Energy: 0.9647248549234504
Energy: 0.976734823398869
Energy: 1.039558863659364
Energy: 1.0633777900226833
Energy: 1.0298883394479805
Energy: 0.9921860779918532
Energy: 0.9566382252905097
Energy: 1.0215002949766576
Energy: 1.0546381608063549
Energy: 1.058183687014108
Energy: 1.0047507726605083
Energy: 0.9725150489059557
Energy: 1.0103307021227055
Energy: 1.0635545538669342
Energy: 1.0151625568607736
Energy: 1.0305747332551878
Energy: 1.0383382778919932
Energy: 1.0346839780646098
Energy: 1.063672783206492
Energy: 1.0168256777005165
Energy: 1.0304044554882668
Energy: 1.0383360772435704
Energy: 1.0427287183309493
Energy: 1.0344708633089539
Energy: 0.9859903369870019
Energy: 0.9538647334600383
Energy: 1.0681350036000026
Energy: 1.0021078678245423
Energy: 1.0280748649338673
Energy: 0.991662885695418
Energy: 0.9698087309635101
Energy: 1.0320300436725183
Energy: 1.0244246684290412
Energy: 0.9825745378027753
Energy: 0.9745322166544957
Energy: 0.9758430589942367
Energy: 0.952643315025751
Energy: 1.049176206910082
Energy: 0.9827800762164532
Energy: 0.97868846369799
Energy: 0.9680567419260837
Energy: 0.9587253745834077
Energy: 1.0368884663899383
Energy: 1.038292831717757
Energy: 0.9519316136560823
Energy: 0.9783797794001763
Energy: 1.0345644760956076
Energy: 0.9617504779756268
Energy: 1.0653438144500313
Energy: 0.9677995881382134
Energy: 0.981948875246583
Energy: 1.0349806376136268
Energy: 0.9984787940437941
Energy: 1.067892562047846
Energy: 1.018889422326183
Energy: 0.9964552976095754
Energy: 1.014986210202207
Energy: 1.0328926696675838
Energy: 1.0845656431172597
Energy: 1.012567309028343
Energy: 1.0023193277368734
Energy: 1.0148179050579937
Energy: 1.0508853230431747
Energy: 1.001016672443349
Energy: 1.0664035641318064
Energy: 1.0507470083940758
Energy: 1.0011040471638923
Energy: 1.00093236472864
Energy: 0.9688982288961193
Energy: 1.0654678759118863
Energy: 1.049136579368324
Energy: 0.9981467025470265
Energy: 1.0227247305723985
Energy: 0.9894321530371769
Energy: 1.0489036906552858
Energy: 1.0271670409923748
Energy: 0.9406965460844342
Energy: 1.0466509273956033
Energy: 0.9470643843552552
Energy: 1.0461850714320824
Energy: 1.024310546634238
Energy: 0.9619019732681348
Energy: 1.0558766981460461
Energy: 1.0382264319869552
Energy: 0.9960707987252188
Energy: 1.0039299184004873
Energy: 1.0001825852507926
Energy: 1.0120830093489654
Energy: 1.0482529941898866
Energy: 1.008402730397671
Energy: 1.0140435429568164
Energy: 0.9932331511895119
Energy: 1.0128752867125246
Energy: 1.0289458671679654
Energy: 1.0243495125526194
Energy: 0.9952780078851553
Energy: 1.0038333719283017
Energy: 1.0450094630080913
Energy: 1.0168539550861266
Energy: 1.012950524510817
Energy: 0.941764356539819
Energy: 1.0073461197269535
Energy: 1.0538341207152297
Energy: 1.0494374167852147
Energy: 1.0262328983908042
Energy: 1.0580851448766875
Energy: 1.0076631627361652
Energy: 1.0159181029687967
Energy: 1.0122131678522088
Energy: 1.0514613581005037
Energy: 1.0174071625086973
Energy: 1.06014581347947
Energy: 0.983272962833749
Energy: 1.0451674677701
Energy: 1.0131287002148264
Energy: 1.0252372830981813
Energy: 1.0353233208840478
Energy: 0.9828595658004768
Energy: 1.0165362182769049
Energy: 0.9661322707890444
Energy: 1.0132509443224647
Energy: 1.0140887281951854
Energy: 1.0252498819356188
Energy: 1.0439102598473788
Energy: 0.975716471647607
Energy: 1.0435934881129019
Energy: 1.0153649100181505
Energy: 0.9829434485820558
Energy: 1.0060812141872217
Energy: 0.9967427800556533
Energy: 1.0302819194125514
Energy: 1.0402182050473217
Energy: 1.0142899106760737
Energy: 1.0210877565533862
Energy: 1.0297019307688475
Energy: 1.006092696749708
Energy: 1.049726760026041
Energy: 1.0080878507861275
Energy: 1.0119143351248745
Energy: 1.025333164314368
Energy: 1.0378670764986682
Energy: 1.0559922756917013
Energy: 1.025133837357806
Energy: 1.0265266970781282
Energy: 1.0765962711331267
Energy: 0.965934034151083
Energy: 0.9809267526078503
Energy: 1.010833959050702
Energy: 0.9838429960375523
Energy: 0.9887724869216021
Energy: 0.9787565281079242
Energy: 0.9690644655427809
Energy: 1.0486551179580357
Energy: 1.0247641546354809
Energy: 0.938899070173777
Energy: 0.960457582449145
Energy: 0.9387568457784591
Energy: 0.938665615590289
Energy: 0.9349731212151264
Energy: 0.9387898858838346
Energy: 0.9508279947016279
Energy: 0.9531675294042906
Energy: 1.02608048339456

minimum gb energy = 0.9349731212151264 eV
minimum distance =  2.28785640374742 Angstroms
sigma value = 165


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

Energy: 1.3133498411924631
Energy: 0.9227169799786035
Energy: 0.9201979048863986
Energy: 0.9649417789053921
Energy: 0.8839490634707174
Energy: 1.2171503244943696
Energy: 0.932329752571632
Energy: 0.9221745212930214
Energy: 0.9946899119924703
Energy: 0.9591916013325223
Energy: 0.9203539340385642
Energy: 0.9850093873872702
Energy: 0.9784446178752196
Energy: 0.9686276610669684
Energy: 0.9816300162084713
Energy: 0.9214325289037396
Energy: 0.921886481733598
Energy: 0.9881158223167261
Energy: 0.9690480802145636
Energy: 1.0595156397622763
Energy: 0.9766058865753395
Energy: 1.0324391411736535
Energy: 1.0095269457093456
Energy: 0.9369418561348463
Energy: 0.9920991271539508
Energy: 0.9673011726581235
Energy: 0.9355788652627567
Energy: 0.9409387758319686
Energy: 0.9124857065174705
Energy: 0.9922970420243236
Energy: 1.0241726976126724
Energy: 0.9625722241156439
Energy: 1.0002921989668379
Energy: 0.9653609299934108
Energy: 0.9908455616951686
Energy: 1.0660728521031748
Energy: 0.9704617957743347
Energy: 0.9434254464517157
Energy: 0.9371030759380177
Energy: 0.9896839759525161
Energy: 1.0197478200463137
Energy: 1.0124086084923396
Energy: 0.9822270484842023
Energy: 0.9809381391309353
Energy: 0.9229405004969358
Energy: 0.9620464494278925
Energy: 1.0121224587950428
Energy: 0.9398964918577332
Energy: 0.9215953072674077
Energy: 0.9819863399851121
Energy: 0.9563362350354706
Energy: 0.9603964336222895
Energy: 0.9239340578189434
Energy: 0.9336221277822471
Energy: 0.9256256837751972
Energy: 0.9566808047932216
Energy: 0.9595495335763176
Energy: 0.9198519494790554
Energy: 0.9323824565641682
Energy: 0.9280611497120149
Energy: 0.9231927456279334
Energy: 1.0161545469510647
Energy: 1.020063432002946
Energy: 0.9740855814072039
Energy: 0.9193459504288419
Energy: 0.9235299598094809
Energy: 0.9667511399134369
Energy: 1.0427787494638434
Energy: 0.9234533893422932
Energy: 0.9209874457511873
Energy: 0.9856608430010185
Energy: 0.9811127541185252
Energy: 1.0448705405108647
Energy: 1.0442020823247515
Energy: 0.9255258428543847
Energy: 0.887827185455354
Energy: 1.0070501013663167
Energy: 1.0461359422701937
Energy: 1.0457312481810697
Energy: 0.8884714169537566
Energy: 0.8872354499326149
Energy: 0.9233505902335701
Energy: 0.9752907568350304
Energy: 1.0242813361361462
Energy: 1.023310489461928
Energy: 0.8881890330565336
Energy: 0.91825102219306
Energy: 0.9760949525646828
Energy: 1.023061490682676
Energy: 0.9784171986900793
Energy: 0.9903543470454663
Energy: 0.9517211803370061
Energy: 1.0252144133567325
Energy: 1.0311681026612158
Energy: 1.017961160034343
Energy: 0.9474496898534066
Energy: 0.9180721877705025
Energy: 1.023259969006823
Energy: 1.027134560157275
Energy: 1.0197151648185816
Energy: 1.0367554309564453
Energy: 0.9800352965771806
Energy: 0.954197402924094
Energy: 1.0629093304385893
Energy: 0.98976484538411
Energy: 0.9731203636037775
Energy: 0.9861267328884988
Energy: 0.9474936683241069
Energy: 1.076407770616935
Energy: 0.9923486512058718
Energy: 1.023348978422334
Energy: 1.0506077391086923
Energy: 0.9501028277585407
Energy: 0.9346944356355613
Energy: 0.9465508703298355
Energy: 1.0524185606710983
Energy: 0.9757449055840626
Energy: 0.9877913496014148
Energy: 0.9871734361995448
Energy: 0.9887952494757292
Energy: 0.9620297395539791
Energy: 1.0394654842870001
Energy: 0.9248321626937928
Energy: 0.9216781740362553
Energy: 0.9136710142793408
Energy: 1.023616015986096
Energy: 0.9904405615632176
Energy: 0.9839496532645652
Energy: 1.0000605577385804
Energy: 0.9220249818270841
Energy: 1.0015269058669807
Energy: 0.9459487967410917
Energy: 0.917297650787077
Energy: 0.9295593417368379
Energy: 0.9232897507021062
Energy: 1.0044828932559577
Energy: 0.9467104907033324
Energy: 0.9445906352427523
Energy: 0.9307064670314862
Energy: 0.9587792123194903
Energy: 0.9249305545018164
Energy: 1.1048813139828224
Energy: 0.9648634215596665
Energy: 0.9163015107242153
Energy: 0.9215809387507667
Energy: 0.8827265652968963
Energy: 0.9840009175207851
Energy: 0.9874322135487322
Energy: 0.9191705091315213
Energy: 0.9850381298265338

minimum gb energy = 0.8827265652968963 eV
minimum distance =  2.29123687144915 Angstroms
sigma value = 41


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

Energy: 1.1533536578421264
Energy: 0.7819563431827807
Energy: 0.7819501656270211
Energy: 0.779949168960739
Energy: 0.7624587845290604
Energy: 0.8459100274619337
Energy: 0.7903517022191847
Energy: 0.7847581954042495
Energy: 0.7812446451926855
Energy: 0.8809792507962547
Energy: 0.8892302365458092
Energy: 0.8134023418022275
Energy: 0.8052777499009689
Energy: 0.8088458242245231
Energy: 0.8576593192533223
Energy: 0.8721165139236218
Energy: 0.785039204563516
Energy: 0.8173835753223423
Energy: 0.8186306940418829
Energy: 0.857795229443332
Energy: 0.8339715999196412
Energy: 0.8576898318414481
Energy: 0.8114901733663482
Energy: 0.8379268320322786
Energy: 0.8442181483446081
Energy: 0.8450646837387188
Energy: 0.8347554936498952
Energy: 0.8367602642304127
Energy: 0.828893989892779
Energy: 0.8275902160775236
Energy: 0.871351782152598
Energy: 0.8039601014371219
Energy: 0.8140951572418149
Energy: 0.8435220725879663
Energy: 0.9757200308489327
Energy: 0.8706233057743581
Energy: 0.8175850025958855
Energy: 0.8410306893937509
Energy: 0.8206685205315594
Energy: 1.0221910985850782
Energy: 0.8553623384084422
Energy: 0.8499626429430998
Energy: 0.8613951796482149
Energy: 0.8669361362030384
Energy: 0.8706418719696029
Energy: 0.8368093988260829
Energy: 0.8334468706253572
Energy: 0.8339461727685238
Energy: 0.8734936125160739
Energy: 0.8947089629321268
Energy: 0.8716032920788577
Energy: 0.9215997808465145
Energy: 0.8487816750146442
Energy: 0.794421394067866
Energy: 0.8875406048821277
Energy: 0.8789340366318354
Energy: 0.9149764776379977
Energy: 0.8922974666458252
Energy: 0.9871293876562904
Energy: 0.8840829136097429
Energy: 0.883957722733664
Energy: 0.879200299090385
Energy: 0.8617021548814142
Energy: 0.8616929732142531
Energy: 0.8224824884950616
Energy: 0.8667362480098136
Energy: 0.858320447949774
Energy: 0.8452099528871895
Energy: 0.9778961639969659
Energy: 0.871735126628644
Energy: 0.9275062353558886
Energy: 0.8178341147511735
Energy: 0.8529112023617871
Energy: 0.8122963296143402
Energy: 0.8304128020715608
Energy: 0.96037308068617
Energy: 0.8252730625233545
Energy: 0.8611926267483656
Energy: 0.8098907564890634
Energy: 0.8384822741622822
Energy: 0.907602079392809
Energy: 0.8387292432994254
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Energy: 0.8461476057451597
Energy: 0.8255620616594199
Energy: 0.822210586817552
Energy: 0.8322703002533249
Energy: 0.8246588583273768
Energy: 0.8556582834170129
Energy: 0.8180611125879751
Energy: 0.8890590479767454
Energy: 0.8120390128212127
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Energy: 0.8384741177934248
Energy: 0.8897966067674746
Energy: 0.8791538412639666
Energy: 0.81635171697541
Energy: 0.7853464145753002
Energy: 0.8430667758204322
Energy: 0.8227177162016444
Energy: 0.8155328740900885
Energy: 0.7866339200803792
Energy: 0.8297698881417876
Energy: 0.804482745930621
Energy: 0.9600255915664506
Energy: 0.8228232445020129
Energy: 0.7841464014316187
Energy: 0.8034890283896705
Energy: 0.821442686622071
Energy: 0.9819893198382218
Energy: 0.8395252688305312
Energy: 0.8224618971889197
Energy: 0.8188511799258119
Energy: 0.8087623251968798
Energy: 0.874873978657723
Energy: 0.8370613860190013
Energy: 0.8313748466048619
Energy: 0.8224306674726204
Energy: 0.8096988848423096
Energy: 0.8752931036685457
Energy: 0.8275832974056386
Energy: 0.8967441814961549
Energy: 0.7875896233932952
Energy: 0.8472699967240924
Energy: 0.8666852707869499
Energy: 0.8294850050497102
Energy: 0.7998354845346759
Energy: 0.7856655591273557
Energy: 0.850077037798695
Energy: 0.867040794291635
Energy: 0.8015189834519936
Energy: 0.8325760127210878
Energy: 0.8254830166548832
Energy: 0.8659672012443049
Energy: 0.8299957396386587
Energy: 0.8018347562501116
Energy: 0.8337021626533476
Energy: 0.8054699046576098
Energy: 1.186559031920747
Energy: 0.8295840884851718
Energy: 0.8068024086643905
Energy: 0.8345219775587205
Energy: 0.8360371498715338
Energy: 0.9097417388482201
Energy: 0.8644512184823695
Energy: 0.8035987134978683
Energy: 0.8341778090417397
Energy: 0.8376905098614166
Energy: 0.8301028352023448
Energy: 0.8237351649853041
Energy: 0.8387468574323713
Energy: 0.8676959732444445
Energy: 0.8487914348686241
Energy: 0.853524685926017
Energy: 0.8657715391542968
Energy: 0.8228244563064705
Energy: 0.8637343325976587
Energy: 0.8480529409794848
Energy: 0.8538114020034077
Energy: 0.8646054898590477
Energy: 0.8094618655776152
Energy: 0.8562276906994
Energy: 0.8457457521416397
Energy: 0.8473735274259262
Energy: 0.8701135284984629
Energy: 0.7898442642740805
Energy: 0.8554346856622931
Energy: 0.8443531907904622
Energy: 0.8510205473666261
Energy: 0.9119849115378664
Energy: 0.8533901852381836
Energy: 0.8764791044235591
Energy: 0.9011248406336864
Energy: 0.8815171739683633
Energy: 0.943755667812709
Energy: 0.8540580438992753
Energy: 0.8775886906624497
Energy: 0.8719957889489622
Energy: 0.8634122866902744
Energy: 0.9205518280931727
Energy: 0.8929143670040998
Energy: 0.8798462817677837
Energy: 0.829342302277834
Energy: 0.892873793755734
Energy: 0.9336488173808876
Energy: 0.9086670739879665
Energy: 0.7866008190869361
Energy: 0.8861492095688641
Energy: 0.8929790679019537
Energy: 0.9603319515586596
Energy: 0.863113070037247
Energy: 0.8577508587683764
Energy: 0.7936104412357834
Energy: 0.884395104078646
Energy: 0.8532773759730855
Energy: 0.8622198898913331
Energy: 0.8631475086064788
Energy: 0.8201186859374865
Energy: 0.8845252967190436
Energy: 0.8580030866412853
Energy: 0.8033179475069979
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Energy: 0.8099097537443557
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Energy: 0.810774782345049
Energy: 0.9081712101125933
Energy: 0.8069152052028866
Energy: 0.8118416230256634
Energy: 0.8027866251587136
Energy: 0.786803296007567
Energy: 0.8670314879866673
Energy: 0.8041733684195191
Energy: 0.814748590559967
Energy: 0.8266409805990377
Energy: 0.787263617823236
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Energy: 0.8019272873717898
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Energy: 0.7998812970688285
Energy: 0.8519283275406796
Energy: 0.8448633925536543
Energy: 0.8226015945246579
Energy: 0.8950217971062387
Energy: 0.80027258365033
Energy: 0.8499465361749364
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Energy: 0.8265958851489293
Energy: 0.894036153786146
Energy: 0.7999741562523839
Energy: 0.8717197422501342
Energy: 0.8310055407415846
Energy: 0.8037848154298234
Energy: 0.8313959442198171
Energy: 0.800572697023993
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Energy: 0.8208417485415745
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Energy: 0.8671900344332539
Energy: 0.9876650435476905
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Energy: 0.8550047911388584
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Energy: 0.8600826674280906
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Energy: 0.7963704201581888
Energy: 0.8772496533033322
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Energy: 0.8575631330262883
Energy: 0.8534570001586611
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Energy: 0.8124794776491198
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Energy: 0.8309572754124922
Energy: 0.8840242464580585
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Energy: 0.8705073795523737
Energy: 0.8274805626531585
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Energy: 0.8097636433870992
Energy: 0.8562897416650972
Energy: 0.8740630041823662
Energy: 0.9790803104059815
Energy: 0.8714455438541071
Energy: 0.8519331258498387
Energy: 0.8439791069691172
Energy: 0.8635433252757295
Energy: 0.7959146438420637
Energy: 0.8652113236798891
Energy: 0.8245722481363386
Energy: 0.8444908921678765
Energy: 0.8602562515426082
Energy: 0.8262830071760543
Energy: 0.8793732871632411
Energy: 0.8392102054097564
Energy: 0.8614088577659222
Energy: 0.8548437913713209
Energy: 0.8034237096004077
Energy: 0.8698487344739322
Energy: 0.8619417814146331
Energy: 0.8594184526278724
Energy: 0.8579078042181988
Energy: 0.8281932246178841
Energy: 0.8814494589570093
Energy: 0.8636202071093769
Energy: 0.8095039107769925
Energy: 0.8179648494936509
Energy: 0.8260594833404495
Energy: 0.8701612039938911
Energy: 0.8689761369076607
Energy: 0.8295032647112562
Energy: 0.8371965723610981
Energy: 0.865455548432765
Energy: 0.8384679637786515
Energy: 0.8553925682554979
Energy: 0.8309931025925764
Energy: 0.9527140578105026
Energy: 0.8400498922384747
Energy: 0.8557906364552255
Energy: 0.868149864769485
Energy: 0.8352078959662481
Energy: 0.9528532460607151
Energy: 0.8711912470796649
Energy: 0.887002772535097
Energy: 0.786367836645427
Energy: 0.8126681509627821
Energy: 0.8123848221592743
Energy: 0.8553862350275214
Energy: 0.8629436543462674
Energy: 0.8047248548194331
Energy: 0.8148035923097952
Energy: 0.8103458234288844
Energy: 0.8076341281492384
Energy: 0.9099454995378724
Energy: 0.8001480275519205
Energy: 0.799656402163157
Energy: 0.7793368931449699
Energy: 0.8155706411730121
Energy: 0.8998254418597145
Energy: 0.7813967057050664
Energy: 0.8244664195177805
Energy: 0.7976885645390499
Energy: 0.8510378615603582
Energy: 0.8763943103463622
Energy: 0.8072706763049176
Energy: 0.7815288954682124
Energy: 0.7923728392402863
Energy: 0.8453276393751852
Energy: 0.8645864286018342
Energy: 0.8181069105761977
Energy: 0.8003451499237935
Energy: 0.8167049583331631
Energy: 0.84356129895847
Energy: 0.7758829536044948
Energy: 0.8182435898596141
Energy: 0.8181470505802926
Energy: 0.7849489954627434
Energy: 0.9825362479144228
Energy: 0.7782724841924458
Energy: 0.8040755641565189
Energy: 0.8033902765576948
Energy: 0.8206040236401536

minimum gb energy = 0.7624587845290604 eV
minimum distance =  2.24510859480804 Angstroms
sigma value = 185


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

Energy: 0.427343795678346
Energy: 0.5127989838613796
Energy: 0.5499130889044171
Energy: 0.5300376415796665
Energy: 0.33256481948361183
Energy: 0.3301578306767455
Energy: 0.56117477899819
Energy: 0.5391291341394294
Energy: 0.5383222043710908
Energy: 0.429137520507915
Energy: 0.5439092440248764
Energy: 0.5380738279405166
Energy: 0.5442977595615689
Energy: 0.5379146228155334
Energy: 0.5443480268680904
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Energy: 0.5339056996580794
Energy: 0.5529885861199058
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Energy: 0.5196587104111704
Energy: 0.52120306323001
Energy: 0.5383247180200758
Energy: 0.5502700619269502
Energy: 0.5239385880404396
Energy: 0.3340265103149739
Energy: 0.5392222014996495
Energy: 0.5596151262370835
Energy: 0.5600614050529212
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Energy: 0.33316388025436344
Energy: 0.3301860568233826
Energy: 0.5438628318005907
Energy: 0.5359387607032592
Energy: 0.5347603457215452
Energy: 0.3326147082979971
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Energy: 0.6015311885061708
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Energy: 0.3329806005935123
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Energy: 0.5532929650838371
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Energy: 0.5404107229381171
Energy: 0.5411779062235607
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Energy: 0.5970583090539748
Energy: 0.3319435072458468
Energy: 0.34877786560524543
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Energy: 0.38156709787111726
Energy: 0.5971210315717754
Energy: 0.5547732250443019
Energy: 0.537764282294284
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Energy: 0.333366868439994
Energy: 0.6048725639637945
Energy: 0.562379706607402
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Energy: 0.3810837721873358
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Energy: 0.5373120453215833
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Energy: 0.556542436566535
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Energy: 0.5358708548262449
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Energy: 0.5395569815680542
Energy: 0.5573680227941669
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Energy: 0.3300277783242246
Energy: 0.3322222670828297
Energy: 0.5362601172847355
Energy: 0.566096159961341
Energy: 0.5608560341638094
Energy: 0.3434759103523213
Energy: 0.5455450439731664
Energy: 0.5693475552608005
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Energy: 0.5571496419840172
Energy: 0.5691377594953909
Energy: 0.5417118602311282
Energy: 0.5455381153036764
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Energy: 0.5640075135126262
Energy: 0.5672098165804348
Energy: 0.5422247756495716
Energy: 0.3333096115981625
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Energy: 0.5633385864716741
Energy: 0.5697871275910394
Energy: 0.543654067794394
Energy: 0.3325604229212447
Energy: 0.33007121275581514
Energy: 0.5649452775077753
Energy: 0.5526550231973713
Energy: 0.5432368406497153
Energy: 0.3320702480648994
Energy: 0.3300773429472109
Energy: 0.5664481479126255
Energy: 0.545354942034832
Energy: 0.5618440767079412
Energy: 0.5428804095565878
Energy: 0.5426058864784666
Energy: 0.5436392104093511
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Energy: 0.5431765742792961
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Energy: 0.33269671940705947
Energy: 0.3320609628073672
Energy: 0.544528608433127
Energy: 0.5404547349783348
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Energy: 0.5408988348455309
Energy: 0.6104906386269469
Energy: 0.33357326998157405
Energy: 0.332323929150345
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Energy: 0.3492438687196273
Energy: 0.3323053480933017
Energy: 0.6046888600351793
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Energy: 0.5475740975147159
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Energy: 0.604768918549098
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Energy: 0.3319487520884681
Energy: 0.5683357568042926
Energy: 0.5482295136605901
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Energy: 0.3302649452429805
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Energy: 0.5606329601156745
Energy: 0.3302321303022844
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Energy: 0.5679982472010702
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Energy: 0.5433162400897253
Energy: 0.3481100552757755
Energy: 0.5680843695032243
Energy: 0.567502713956451
Energy: 0.5629414901424906
Energy: 0.5443825115364133
Energy: 0.5651441876249729
Energy: 0.6083408026060471
Energy: 0.5413430828193088
Energy: 0.5422115820027925
Energy: 0.3492907630925042
Energy: 0.5658064279356421
Energy: 0.5640778570471395
Energy: 0.5438466454750485
Energy: 0.5427073486675948
Energy: 0.3485921049579219
Energy: 0.3313166635248909
Energy: 0.5466010772260258
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Energy: 0.5455604924188218
Energy: 0.32989809988104996
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Energy: 0.5653770402264587
Energy: 0.5459073752029849
Energy: 0.3336224316766451
Energy: 0.32943914976919264
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Energy: 0.33423776881857437
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Energy: 0.5655797367481207
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Energy: 0.33237246159757006
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Energy: 0.6058885394588104
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Energy: 0.5332439138091313
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Energy: 0.5967975264865978
Energy: 0.534946024099711
Energy: 0.5414672341073974
Energy: 0.5402800583445586
Energy: 0.5125398611312258
Energy: 0.5928615678015711
Energy: 0.5308221598301487
Energy: 0.5169806891741897
Energy: 0.3791778189882516
Energy: 0.37931791273130844
Energy: 0.5578058962091959
Energy: 0.5349394489436125
Energy: 0.5309210088375372
Energy: 0.3301683766576652
Energy: 0.33087593416288513
Energy: 0.5364734238912724
Energy: 0.5501930401166797
Energy: 0.5425764623881019
Energy: 0.5201757744254969
Energy: 0.3793528429566549
Energy: 0.5184838093295536
Energy: 0.5549617258448669
Energy: 0.549357768118454
Energy: 0.537184887691808
Energy: 0.5377947325867508
Energy: 0.5375837785269453
Energy: 0.5558372143912812
Energy: 0.5107410570648021
Energy: 0.34895960427759626
Energy: 0.5439365760126581
Energy: 0.5556509499604507
Energy: 0.510347731371254
Energy: 0.535240130576834
Energy: 0.3406387897008948
Energy: 0.5530767880148973
Energy: 0.6048873039172314
Energy: 0.5354784708736999
Energy: 0.33479221077022825
Energy: 0.33347568963501656
Energy: 0.5418803310242571
Energy: 0.5628605995439028
Energy: 0.5361190612230871
Energy: 0.3339744892038856
Energy: 0.3302552687677209
Energy: 0.555824083516142
Energy: 0.5571662570651325
Energy: 0.5266345568180758
Energy: 0.5450291278117907
Energy: 0.5429196458787243
Energy: 0.5075546968198
Energy: 0.5374594650142723
Energy: 0.5564414219268745
Energy: 0.5388770899273972
Energy: 0.531782583613651
Energy: 0.5379861466141617
Energy: 0.5369328530597448
Energy: 0.5409047546588774
Energy: 0.432987343139417
Energy: 0.5230173249095196
Energy: 0.5205236332127681
Energy: 0.5461952075958205
Energy: 0.542073545849511
Energy: 0.33807031021196216
Energy: 0.5310997922092663
Energy: 0.5178479416212725
Energy: 0.5831680758248008
Energy: 0.4299034459402683

minimum gb energy = 0.32943914976919264 eV
minimum distance =  2.39650229038339 Angstroms
sigma value = 33


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

Energy: 0.8057445585446743
Energy: 0.7550451413505134
Energy: 0.7775759200677407
Energy: 0.7697810583273654
Energy: 0.7380761893034068
Energy: 0.7360854609311134
Energy: 0.7452904302595964
Energy: 0.7515286882958806
Energy: 0.7705999942538665
Energy: 0.7442497596633516
Energy: 0.7564352203177379
Energy: 0.7743546150465467
Energy: 0.7406774886745412
Energy: 0.7398811538831565
Energy: 0.7850357504840315
Energy: 0.7597455464395242
Energy: 0.732253540654378
Energy: 0.7553436660860114
Energy: 0.7324442238809005
Energy: 0.783899028101283
Energy: 0.7533131976545682
Energy: 0.7315094766426279
Energy: 0.7291529776433483
Energy: 0.7705474342344619
Energy: 0.7435983668951843
Energy: 0.7597829268663633
Energy: 0.7394968047135471
Energy: 0.7372028697309241
Energy: 0.759987719132049
Energy: 0.7426936205414031
Energy: 0.7843525978171133
Energy: 0.7632784869961844
Energy: 0.7472613791445564
Energy: 0.7554354617997999
Energy: 0.7432154310639181
Energy: 0.7979674747008069
Energy: 0.7597153769060415
Energy: 0.7612972894573634
Energy: 0.7587993330874016
Energy: 0.7446132749821825
Energy: 0.7543714114860158
Energy: 0.7474392827297689
Energy: 0.7618538774019336
Energy: 0.7539810751036483
Energy: 0.7674631392760849
Energy: 0.7572071172395269
Energy: 0.765209123011655
Energy: 0.7598391543678706
Energy: 0.7552074526689897
Energy: 0.7808025569682872
Energy: 0.7668028294027996
Energy: 0.7544033149295457
Energy: 0.8116924298356827
Energy: 0.75941533142639
Energy: 0.7436741210105423
Energy: 0.7655785199140469
Energy: 0.7636698020927993
Energy: 0.7697150142408142
Energy: 0.7782626696663596
Energy: 0.7442055928688956
Energy: 0.7677056280303975
Energy: 0.7531255901091813
Energy: 0.7573949276222077
Energy: 0.7440506285303017
Energy: 0.7613126671327154
Energy: 0.7992714320450828
Energy: 0.760675710556754
Energy: 0.7576480980588753
Energy: 0.7420140850383364
Energy: 0.72592953214678
Energy: 0.7575458594744865
Energy: 0.7653632996461732
Energy: 0.7518001937717198
Energy: 0.7694530725077563
Energy: 0.7541309144300308
Energy: 0.7575356905707319
Energy: 0.765324569453579
Energy: 0.7517560305814466
Energy: 0.7697826520912662
Energy: 0.7558911645463914
Energy: 0.7555088938903493
Energy: 0.778366832488057
Energy: 0.7432943542705058
Energy: 0.7440650905669604
Energy: 0.7688528941430722
Energy: 0.755101879480932
Energy: 0.7737693003226819
Energy: 0.743804571775384
Energy: 0.7437760202961877
Energy: 0.7567864563599206
Energy: 0.7783922482027447
Energy: 0.7546380536672127
Energy: 0.7506253120926902
Energy: 0.7532050524081456
Energy: 0.7575932936478089
Energy: 0.748142124600934
Energy: 0.7562889388749151
Energy: 0.7666772898632525
Energy: 0.7537989703058785
Energy: 0.7581930207285312
Energy: 0.7554483113669173
Energy: 0.7580874211416261
Energy: 0.7691097570777818
Energy: 0.7512141179378934
Energy: 0.7525058929871611
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Energy: 0.7729426568706143
Energy: 0.745764669527825

minimum gb energy = 0.7149047084144067 eV
minimum distance =  2.33745744238011 Angstroms
sigma value = 219


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

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Energy: 1.002465233452955
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Energy: 0.9250093559033115
Energy: 0.9547994022953904
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Energy: 0.9897211959744366
Energy: 1.0027260334560641
Energy: 1.0153849332078149
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Energy: 1.0148804639898288
Energy: 1.0023292349985058
Energy: 0.9541343363189555
Energy: 0.9522183819769884
Energy: 1.0025618832481904

minimum gb energy = 0.9233162877797686 eV
minimum distance =  2.33666158586195 Angstroms
sigma value = 15


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

Energy: 1.141281291994515
Energy: 1.1160504227600836
Energy: 1.1300937283664827
Energy: 1.1205949525282517
Energy: 1.1922606222557117
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Energy: 1.1268127954920435
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Energy: 1.0971845673133458
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Energy: 1.141100668409541
Energy: 1.1094587375753606
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Energy: 1.223466547980328
Energy: 1.160125003636816
Energy: 1.1709381255760147
Energy: 1.1080541772270895
Energy: 1.1173981507820434
Energy: 1.1389866906438697
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minimum gb energy = 1.066970379688817 eV
minimum distance =  2.30449754818382 Angstroms
sigma value = 293


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

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Energy: 1.1296996867953009
Energy: 1.1617295095379954
Energy: 1.1002316164691204
Energy: 1.1724174760848873
Energy: 1.1655175499528823
Energy: 1.170881785110357
Energy: 1.1922224617218553
Energy: 1.136327075177054
Energy: 1.1017620173811455
Energy: 1.0780171118046422
Energy: 1.0705520397550286
Energy: 1.1948545134451758
Energy: 1.1358497638017266
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Energy: 1.0735921171072618
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Energy: 1.1013557436343533
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Energy: 1.1019046788831268
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Energy: 1.0993357413284854
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Energy: 1.149877009544929
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Energy: 1.0962685354141843
Energy: 1.0950439705876414
Energy: 1.1268345087925937
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Energy: 1.141377807421464
Energy: 1.1693735537288017
Energy: 1.101802671132629
Energy: 1.1267472860088588
Energy: 1.105203018389803
Energy: 1.1698045812382973
Energy: 1.193012917167355
Energy: 1.1462176910932516
Energy: 1.1501487268841504
Energy: 1.0742179316693201
Energy: 1.128266303754538
Energy: 1.1921087485953747
Energy: 1.1507860792380156
Energy: 1.1508762604052147
Energy: 1.0755405483411968
Energy: 1.171748716350357
Energy: 1.1023666358960504
Energy: 1.1047647746743485
Energy: 1.1641780845011034
Energy: 1.0727519753670627
Energy: 1.1987613955696867
Energy: 1.101695223656869
Energy: 1.1072603540399757
Energy: 1.164712264556486
Energy: 1.0754954307962112
Energy: 1.1008842125672806
Energy: 1.0920873264071935
Energy: 1.100860474149521
Energy: 1.1630526897386115
Energy: 1.1003932819229247
Energy: 1.1003797741690222
Energy: 1.093848676190573
Energy: 1.1009361227653445
Energy: 1.162443226802355
Energy: 1.1485407593678811
Energy: 1.139999704234002
Energy: 1.1379835109762908
Energy: 1.1381535876601483
Energy: 1.0837286490740896
Energy: 1.1611759974959983
Energy: 1.1432789230429643
Energy: 1.104503794309523
Energy: 1.1385896403776898
Energy: 1.0822734833174474
Energy: 1.161012416980619
Energy: 1.1649508898431327
Energy: 1.1107802700519762
Energy: 1.1737334664720167
Energy: 1.104375888583954
Energy: 1.1625079280699875
Energy: 1.1271745140635687
Energy: 1.110065233814111
Energy: 1.1740304141790432
Energy: 1.1808884663320096
Energy: 1.1629295725528583
Energy: 1.162120051188747
Energy: 1.1054011113170348
Energy: 1.094352784568304
Energy: 1.1799015343456987
Energy: 1.1628362757092958
Energy: 1.1783554446714282
Energy: 1.171985971872989
Energy: 1.0938283659397894
Energy: 1.179295172688385
Energy: 1.1626244105431596
Energy: 1.2239648059246855
Energy: 1.1618057327477753
Energy: 1.1629305806504646
Energy: 1.097587539647516
Energy: 1.165973721016089
Energy: 1.168587302484868
Energy: 1.1609423677663644
Energy: 1.1008755766247869
Energy: 1.0986218238222147
Energy: 1.170112138983536

minimum gb energy = 1.0680096928629699 eV
minimum distance =  2.33023140615281 Angstroms
sigma value = 293


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

Energy: 1.0743343012636508
Energy: 1.1093878356963944
Energy: 1.2166929659845869
Energy: 1.1081917575687013
Energy: 1.1186364620743754
Energy: 1.0750072898793646
Energy: 1.1104996880040117
Energy: 1.212333738463937
Energy: 1.108602195065033
Energy: 1.0796704218668485
Energy: 1.1832967101634504
Energy: 1.1085776733129238
Energy: 1.0984800367445788
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Energy: 1.1092019484465268
Energy: 1.0807123243811332
Energy: 1.109934785247922
Energy: 1.1130833375759301
Energy: 1.1082610338301713
Energy: 1.1088202754122307
Energy: 1.1076641609351445
Energy: 1.1084022452499283
Energy: 1.174653942920688
Energy: 1.1089911727781043
Energy: 1.106751714433599
Energy: 1.1085582842116046
Energy: 1.203518897126405
Energy: 1.1757374089895547
Energy: 1.1876246619580102
Energy: 1.0762108016210181
Energy: 1.0779091918253627
Energy: 1.1105691202222547
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Energy: 1.1189124707713576
Energy: 1.216945919032179
Energy: 1.0801782796170831
Energy: 1.1112898776953637
Energy: 1.098270228371825
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Energy: 1.2163159572424038
Energy: 1.0785870065077516
Energy: 1.1126173105789936
Energy: 1.0987880104546712
Energy: 1.0969578523478123
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Energy: 1.172763216606419
Energy: 1.2045188314281283
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Energy: 1.0744352493598224
Energy: 1.1198770041658956
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Energy: 1.1109885446561476
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Energy: 1.098314555886505
Energy: 1.1010283375302514
Energy: 1.1111001389077315
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Energy: 1.1082541054172148
Energy: 1.1084317799082277
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Energy: 1.2063227541473354
Energy: 1.107407434068169
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Energy: 1.0769896920601074
Energy: 1.1049972099382044
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Energy: 1.0781943817023674
Energy: 1.1138829692249481
Energy: 1.0790544828493702
Energy: 1.131013881916781
Energy: 1.1786208953637594
Energy: 1.0745452385423802
Energy: 1.109263600632784
Energy: 1.213940332808349
Energy: 1.1082800472066467
Energy: 1.1191299569532882
Energy: 1.0754804638376185
Energy: 1.1098559627827496
Energy: 1.2099046278227847
Energy: 1.1084403208854552
Energy: 1.080187364996077
Energy: 1.183310479922589
Energy: 1.107926749620842
Energy: 1.1004395857581752
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Energy: 1.1095070182583227
Energy: 1.0805853791576905
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Energy: 1.1076423644271098
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Energy: 1.1079634461312462
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Energy: 1.1749355676227011
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Energy: 1.184794440756953
Energy: 1.0764641523135055
Energy: 1.0811965089678963
Energy: 1.1111510471062085
Energy: 1.1768182635134292
Energy: 1.2119430365509214
Energy: 1.0756298041892747
Energy: 1.0799807398780052
Energy: 1.1094907967754455
Energy: 1.1754878046659014
Energy: 1.1088303043948429
Energy: 1.1189122753229117
Energy: 1.075153469981127
Energy: 1.0994308071375072
Energy: 1.1091718740552923
Energy: 1.1096496684884736
Energy: 1.0806473731533706
Energy: 1.0763547215771
Energy: 1.098340655034853
Energy: 1.1027670290452232
Energy: 1.1101536025724579
Energy: 1.202160745125286
Energy: 1.1099698050693867
Energy: 1.1080961229411919
Energy: 1.0817361134767856
Energy: 1.1093520305738347
Energy: 1.2138192790790552
Energy: 1.1091124345206387
Energy: 1.107239190150929
Energy: 1.1189344766618745
Energy: 1.2128916996413623
Energy: 1.0809279356699752
Energy: 1.1113274635996246
Energy: 1.0977322320445853
Energy: 1.098046730449893
Energy: 1.2164896993253
Energy: 1.0789722871676857
Energy: 1.112707051650651
Energy: 1.0980659232420564
Energy: 1.0973639463190832
Energy: 1.111774050042474
Energy: 1.1732768059860406
Energy: 1.2042533151181012
Energy: 1.0752002806456749
Energy: 1.1190874845544565
Energy: 1.1114445637430828
Energy: 1.1722697617762095
Energy: 1.1081803339527538
Energy: 1.0745121084834122
Energy: 1.1204018773174773
Energy: 1.108544467315976
Energy: 1.0800744826836446
Energy: 1.1109024378616936
Energy: 1.0806428659522238
Energy: 1.179639442125341
Energy: 1.1005659793689868
Energy: 1.1007932094119706
Energy: 1.111671110481882
Energy: 1.0785783568610205
Energy: 1.1004208936065378
Energy: 1.1084666116095734
Energy: 1.1089007578068497
Energy: 1.1719886323588777
Energy: 1.112433101355279
Energy: 1.107663097347884
Energy: 1.1080653556001463
Energy: 1.1082089616203272
Energy: 1.1711502144581496
Energy: 1.1114239364879162
Energy: 1.1077245821678128
Energy: 1.0767926864037585
Energy: 1.1045312879253943
Energy: 1.1071935389271628
Energy: 1.2057862108838033
Energy: 1.1817597048428274
Energy: 1.0781378877478707
Energy: 1.1128891722988217
Energy: 1.0788345454558932
Energy: 1.2160183113207446
Energy: 1.179887351134269

minimum gb energy = 1.0743343012636508 eV
minimum distance =  2.29536053415955 Angstroms
sigma value = 15


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

Energy: 1.1497755025865923
Energy: 1.120546458121728
Energy: 1.0661140491427965
Energy: 1.0753005361127255
Energy: 1.1525200000091378
Energy: 1.1863813973221684
Energy: 1.1959193003309496
Energy: 1.1405964351303994
Energy: 1.2511674967811075
Energy: 1.171336330079464
Energy: 1.0834017773394766
Energy: 1.1133189964674493
Energy: 1.1347720762495028
Energy: 1.1332985060163325
Energy: 1.1972051652398574
Energy: 1.0551973183391603
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Energy: 1.1603863528687877
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Energy: 1.073469504668354
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Energy: 1.2538546113434956
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Energy: 1.080816788590088
Energy: 1.0560414235190454
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Energy: 1.0826187454584444
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Energy: 1.160022205951034
Energy: 1.146792337534506
Energy: 1.2139172532133482
Energy: 1.1806528019454028
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Energy: 1.2319229486017553
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Energy: 1.0963487135007575
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Energy: 1.2353824977910475
Energy: 1.212940540974263
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Energy: 1.093469761962753
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Energy: 1.2448854787302825
Energy: 1.2385521929229955
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Energy: 1.079052067900706
Energy: 1.063325647703731
Energy: 1.146931086913131
Energy: 1.1657834868294379
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Energy: 1.0688195410586674
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Energy: 1.0736165849364996
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Energy: 1.0751505269898736
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Energy: 1.1776739023774692
Energy: 1.15791825298581
Energy: 1.0700960772123507
Energy: 1.0718360690270485
Energy: 1.1801480002851006
Energy: 1.12646605179044
Energy: 1.0706547501168118
Energy: 1.1412758257909004
Energy: 1.131749231020148
Energy: 1.1544230051820732
Energy: 1.0839288783319632
Energy: 1.0701112706488967
Energy: 1.2662305695697122
Energy: 1.1462154671582845
Energy: 1.070802293446153
Energy: 1.0835276495205748
Energy: 1.1723331345136327
Energy: 1.2916097176911618
Energy: 1.047102319338282
Energy: 1.090171667314512
Energy: 1.1018257430624054
Energy: 1.1816703071603574
Energy: 1.2908369181326131
Energy: 1.0475299641624194
Energy: 1.0927074709571811
Energy: 1.0821415618776762
Energy: 1.0726196841875733
Energy: 1.1597006655808964
Energy: 1.104934783549142
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Energy: 1.0983661125728876
Energy: 1.117054003626053
Energy: 1.1106960338992873
Energy: 1.0803194868393668
Energy: 1.0695158289176656
Energy: 1.1666629874182803
Energy: 1.2487918988454576
Energy: 1.2502033283412644
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Energy: 1.0508480129246618
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Energy: 1.1594157796156312
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Energy: 1.1999861264866158
Energy: 1.1549009795168403
Energy: 1.1178711246350963
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Energy: 1.1792242518299647
Energy: 1.140429993916236
Energy: 1.0975363638125133
Energy: 1.1459347271431841
Energy: 1.1512182325642641
Energy: 1.1107017113539213
Energy: 1.1329920524514556
Energy: 1.1328271981331084
Energy: 1.1773491995761693
Energy: 1.0848825972270195
Energy: 1.1100670553973688
Energy: 1.1309791795390653
Energy: 1.1317112034729666
Energy: 1.1639611917951607
Energy: 1.2075929281593558
Energy: 1.12728417667962
Energy: 1.104746640218976
Energy: 1.169648426126958
Energy: 1.2419902890880135
Energy: 1.2141758890546352
Energy: 1.1256863345763004
Energy: 1.089877797105781
Energy: 1.1059741804973253
Energy: 1.2234135131496664
Energy: 1.0943201266287776
Energy: 1.2013254004349383
Energy: 1.1625740854350524
Energy: 1.214081318634952
Energy: 1.239833153767112
Energy: 1.1023748635857085
Energy: 1.2145821031816415
Energy: 1.140047758185104
Energy: 1.2088223576229375
Energy: 1.2339954908689634
Energy: 1.2575926160568704
Energy: 1.1734528639032762
Energy: 1.113487219361385
Energy: 1.1674958729184077
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Energy: 1.2313034161813996
Energy: 1.1449312017960729
Energy: 1.1124290315784258
Energy: 1.1475464956428145
Energy: 1.1569092046083256
Energy: 1.2168631664643943
Energy: 1.0688320086806338
Energy: 1.0747649197360645
Energy: 1.236331393027829
Energy: 1.2345958229102816
Energy: 1.231296967546797
Energy: 1.0717794892078
Energy: 1.0786117315844639
Energy: 1.2275724250187072
Energy: 1.4344312892060485
Energy: 1.0720981547892872
Energy: 1.0718327411694306
Energy: 1.0740485568584224
Energy: 1.090333993864197
Energy: 1.1394963312744681
Energy: 1.079569925035767
Energy: 1.0731242025395495
Energy: 1.0766083563983457
Energy: 1.1095468165141409
Energy: 1.1748606139628843
Energy: 1.096881755756801
Energy: 1.070054613507671
Energy: 1.072002134419633
Energy: 1.1154114116892397
Energy: 1.1786426414260864
Energy: 1.0715418774836674
Energy: 1.0689749887419804
Energy: 1.0753611739825346
Energy: 1.1559743060189374
Energy: 1.1828123824696346
Energy: 1.1662430714903258
Energy: 1.102617178843074
Energy: 1.1714968103183263
Energy: 1.1759365736519742
Energy: 1.1146707211109337
Energy: 1.127094935892815
Energy: 1.1296895446992432
Energy: 1.1844292047634806
Energy: 1.1554004350694864
Energy: 1.0734869850283895
Energy: 1.1438105658198676
Energy: 1.2529922322396738
Energy: 1.115043070328764
Energy: 1.0747681703235172
Energy: 1.0941544720390377
Energy: 1.1328321174311076
Energy: 1.2543564387057775
Energy: 1.1225654376508996
Energy: 1.0742481068731902
Energy: 1.1494697442052235
Energy: 1.2194609004881443
Energy: 1.148482117316202
Energy: 1.0986266649517198
Energy: 1.0927694791102989
Energy: 1.0948173631560365
Energy: 1.1733233299880852
Energy: 1.1641994978478578
Energy: 1.0912406736639961
Energy: 1.0943985998269985
Energy: 1.0907519185301917
Energy: 1.2615424343609585
Energy: 1.1687912719196871
Energy: 1.0592311266820238
Energy: 1.0558981770598488
Energy: 1.1053041916229422
Energy: 1.2614492603724632
Energy: 1.1575680534157264
Energy: 1.0619804739604997
Energy: 1.054549186121072
Energy: 1.1079499469351706
Energy: 1.163510808299273
Energy: 1.1265135576018972
Energy: 1.0479883952979128
Energy: 1.116861245387633
Energy: 1.179061156449143
Energy: 1.2120893996449709
Energy: 1.1170393406716708
Energy: 1.0480789416697847
Energy: 1.1150358341060786
Energy: 1.1745928689477272
Energy: 1.1329649415134686
Energy: 1.1328129741485904
Energy: 1.1997913601787433
Energy: 1.1008461939528056
Energy: 1.0890748780836916
Energy: 1.130764451349807
Energy: 1.1349142312553315
Energy: 1.1170902213168643
Energy: 1.1039861141930796
Energy: 1.0894824796073586
Energy: 1.0960146439877472
Energy: 1.1546021346174056
Energy: 1.2339127301523352
Energy: 1.2162633702061387
Energy: 1.1057122420921857
Energy: 1.097377291654388
Energy: 1.0708520989965804
Energy: 1.23255610745804
Energy: 1.1962059326126138
Energy: 1.1297432831166851
Energy: 1.2337316328000711
Energy: 1.237747289793178
Energy: 1.2328742691260781
Energy: 1.2109178704179813
Energy: 1.1173357329475047
Energy: 1.2435830295385655
Energy: 1.2336780103737213
Energy: 1.2310369798042426
Energy: 1.2157306584498593
Energy: 1.048292928085144
Energy: 1.1125290045064755
Energy: 1.1724401910865394
Energy: 1.132522418933955
Energy: 1.2299980595146744
Energy: 1.220499210917815
Energy: 1.111342048863233
Energy: 1.1244025656989705
Energy: 1.1065923451075694
Energy: 1.2435789149694536
Energy: 1.20992932896882
Energy: 1.2354458198499179
Energy: 1.217230298023696
Energy: 1.2302460615555595
Energy: 1.2344139632216544
Energy: 1.0719911374909548
Energy: 1.2189895550034664
Energy: 1.2178922650374058
Energy: 1.2307060148216493
Energy: 1.199481462875569
Energy: 1.0705340495468267
Energy: 1.0720068992496665
Energy: 1.0988882284992412
Energy: 1.0752813542419801
Energy: 1.0686015684204149
Energy: 1.0746308720889255
Energy: 1.0746688395806565
Energy: 1.0650802717583063
Energy: 1.070462213039084
Energy: 1.0669071838239805
Energy: 1.073615267856837
Energy: 1.0769662890791838
Energy: 1.1764460429598633
Energy: 1.1884934159524985
Energy: 1.0703510861387746
Energy: 1.0722191124344584
Energy: 1.1339506623255604
Energy: 1.1769936077124703
Energy: 1.1190599807162687
Energy: 1.0677720550092822
Energy: 1.07012412204479
Energy: 1.1725766022224717
Energy: 1.1486860297807782
Energy: 1.0919760690651423
Energy: 1.139749812587072
Energy: 1.119018202478703
Energy: 1.12707990490939
Energy: 1.1567278946689767
Energy: 1.0895164307735616
Energy: 1.1839816847581444
Energy: 1.150156170038538
Energy: 1.0558463693036784
Energy: 1.0797747190579712
Energy: 1.1475703481384412
Energy: 1.2987002074603358
Energy: 1.0893155919085602
Energy: 1.055500876670613
Energy: 1.0555438864273785
Energy: 1.1711304875655237
Energy: 1.294788519250126
Energy: 1.0868801711831335
Energy: 1.0897988106651877
Energy: 1.0816935003964283
Energy: 1.0839687190879403
Energy: 1.0769319213365895
Energy: 1.1035686858807012
Energy: 1.0946764065661745
Energy: 1.1040213193037824
Energy: 1.1118623864464776
Energy: 1.0722848666448166
Energy: 1.0796542993145177
Energy: 1.082010632598619
Energy: 1.051766343529508
Energy: 1.2486198031008535
Energy: 1.2484573854493726
Energy: 1.148135585687376
Energy: 1.0512373838278952
Energy: 1.0808755608270177
Energy: 1.2499873337199454
Energy: 1.122170433845729
Energy: 1.153341100844043
Energy: 1.131962409184201
Energy: 1.1534233341073508
Energy: 1.08863613275532
Energy: 1.109182160923129
Energy: 1.0446359122826359
Energy: 1.0873547530314571
Energy: 1.190468027077796
Energy: 1.1318832802944399
Energy: 1.1033729649440713
Energy: 1.0541839982445285

minimum gb energy = 1.0446359122826359 eV
minimum distance =  2.27279196241143 Angstroms
sigma value = 437


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

Energy: 1.47217585210588
Energy: 1.0483296652928318
Energy: 1.115256245517685
Energy: 1.055821270263021
Energy: 1.1641465151073378
Energy: 1.4717201418739747
Energy: 1.0495120944526437
Energy: 1.1127338849272341
Energy: 1.0558425555537105
Energy: 1.0756001918072544
Energy: 0.9979059384660194
Energy: 1.0667631274092757
Energy: 1.052190580468906
Energy: 1.1934751627410727
Energy: 1.0260924236124367
Energy: 0.9973007187686166
Energy: 1.0666920806877922
Energy: 1.1961239355750612
Energy: 1.0946705730276574
Energy: 1.0258332526337135
Energy: 1.0729929659980455
Energy: 1.1292616163420912
Energy: 0.9950183199487929
Energy: 1.0384273560384139
Energy: 1.099973991102624
Energy: 1.0735008683554574
Energy: 1.0851871126942754
Energy: 0.9965192606905853
Energy: 1.0386431134427363
Energy: 1.0977376297108503
Energy: 1.0396017162405369
Energy: 1.0424898882695055
Energy: 1.0888998459862624
Energy: 1.0716575156657717
Energy: 1.0015863508458427
Energy: 1.0399922741398537
Energy: 1.0280870031822182
Energy: 1.0580311605397785
Energy: 1.0733360570116788
Energy: 1.001806476880241
Energy: 1.1868819843494383
Energy: 1.0585191943251757
Energy: 1.0242107986005415
Energy: 1.0548357697105315
Energy: 0.9889577056642905
Energy: 1.188182707980216
Energy: 1.0584952105028194
Energy: 1.0242943322699734
Energy: 1.055803199902999
Energy: 0.9968053144700741
Energy: 1.061218292089804
Energy: 1.0433698526410797
Energy: 0.9970124354269997
Energy: 1.2004291672654566
Energy: 0.9902736682190432
Energy: 1.0620887940221733
Energy: 1.0271552654591114
Energy: 0.9979232914821196
Energy: 1.065106874687679
Energy: 1.4761558260785432
Energy: 1.0752747728881604
Energy: 1.0720208665850528
Energy: 1.097304068527844
Energy: 1.1251935533051562
Energy: 0.9918693311213732
Energy: 1.0736095684694078
Energy: 1.072129935040978
Energy: 1.0709150388317434
Energy: 1.1150691102396064
Energy: 0.9925831831207876
Energy: 1.0687751436867294
Energy: 0.9972231170382087
Energy: 1.027504275689399
Energy: 1.212569363912155
Energy: 1.0678614778604263
Energy: 1.0878196210536344
Energy: 0.9972411896716168
Energy: 1.0281017350245663
Energy: 1.0932864035825325
Energy: 1.0677419915356512
Energy: 1.0374423250463751
Energy: 0.9943261484145394
Energy: 1.0873704837152292
Energy: 0.9978721282362236
Energy: 1.0390329550139636
Energy: 1.0382994763723248
Energy: 0.9928560265762325
Energy: 1.086974652339825
Energy: 0.999721604170494
Energy: 1.036722733211236
Energy: 1.0862579390415097
Energy: 1.1222658051769743
Energy: 0.9997361127081476
Energy: 1.1119403142115896
Energy: 1.0861804910061192
Energy: 1.1907800208559622
Energy: 1.0303994926712507
Energy: 1.0283797168680764
Energy: 1.1644860258505572
Energy: 1.0868111319220919
Energy: 0.9980444817757771
Energy: 0.9985208950262269
Energy: 1.0913953263277025
Energy: 0.991041593006597
Energy: 1.0027255641100032
Energy: 0.997612436891202
Energy: 0.9979871736485616
Energy: 1.0901057051433911
Energy: 0.9923900021509832
Energy: 1.0408647906206887
Energy: 1.002749151316105
Energy: 0.9999060957768419
Energy: 0.9976322771982792
Energy: 1.0498545890102993
Energy: 0.9989854127342588
Energy: 1.0030923373454812
Energy: 1.0000426506876394
Energy: 1.0797564411908245
Energy: 1.0499920579623843
Energy: 0.9992944671835252
Energy: 0.9986616394537549
Energy: 0.9968415491081843
Energy: 1.093853826688109
Energy: 1.0935007957579808
Energy: 1.0866453595861667
Energy: 0.9978112525564647
Energy: 0.9968988790904335
Energy: 1.0959731793983771
Energy: 1.0655723478984427
Energy: 1.087033504025122
Energy: 1.1928259384291042
Energy: 1.0885501178050339
Energy: 1.0496870225317543
Energy: 1.0964248700937187
Energy: 1.0039065370660634
Energy: 1.212748170732198
Energy: 1.0884490635231077
Energy: 1.115351699776246
Energy: 1.0978754493038068
Energy: 1.0321554853247654

minimum gb energy = 0.9889577056642905 eV
minimum distance =  2.29319547246124 Angstroms
sigma value = 33