Model name: model_name=EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8667457550764093
cohesive_energy=4.280654192612446
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.571113633420008e-19, 2.36614251839022e-19, 3.00082877018298e-19, 3.52973932059906e-19, 3.9965014393822797e-19, 4.44849148960002e-19, 4.880021744201579e-19, 5.23532043455742e-19, 5.49652329119844e-19, 5.693190473021939e-19, 5.85661248968994e-19, 6.0008724738153e-19, 6.129687475188899e-19, 6.245012149304219e-19, 6.34977847940148e-19, 6.44696651401992e-19, 6.53789003799942e-19, 6.62141150592984e-19, 6.6948552828324e-19, 6.755385516064919e-19, 6.80152820312412e-19, 6.83349162697242e-19, 6.85193268002976e-19, 6.857828690042879e-19, 6.851708375301e-19, 6.832225907431559e-19, 6.79696199971722e-19, 6.74282445125436e-19, 6.66595201635504e-19, 6.561329882154839e-19, 6.42275762508018e-19, 6.242993406745379e-19, 6.01362579982194e-19, 5.72478539624442e-19, 5.36458404538854e-19, 4.918377852819539e-19, 4.36780587431178e-19, 3.68915589568206e-19, 2.85121751610006e-19, 1.81207779482034e-19, 5.15705410598652e-20, -1.110366085720824e-19, -3.1575857320535396e-19, -5.74593412781322e-19, -9.0530189615853e-19, -1.335660959640636e-18, -1.91359170635058e-18, -2.7264720433768195e-18, -3.87986298042708e-18, -5.538195905448779e-18]
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: 0.013126983895168491
Energy: 0.013423131424023469
Energy: 0.30740219684278863
Energy: 0.30759076024889886
Energy: 0.3075095480087308
Energy: 0.013177623849428244
Energy: 0.01342313142449445
Energy: 1.263132926882494
Energy: 0.30734699812016514
Energy: 0.30745269940734804
Energy: 0.3076668421744147
Energy: 0.3074876801825111
Energy: 0.30740219684425696
Energy: 0.30734699812016514
Energy: 1.2644171419749222
Energy: 0.01373016647195159
Energy: 0.3076562851234499
Energy: 0.3076179966117649
Energy: 0.30759076024936993
Energy: 0.30745269940734804
Energy: 0.013730166472450272
Energy: 0.013306021725525643
Energy: 0.3078457784706078
Energy: 0.30747863150266463
Energy: 0.30750954800972813
Energy: 0.3076668421763817
Energy: 0.3076562851234499
Energy: 0.3078457784706078
Energy: 1.2647086873000704
Energy: 0.30749882029374676
Energy: 0.013177623848929561
Energy: 0.30748768018300976
Energy: 0.30761799662930195
Energy: 0.3074786315031633
Energy: 0.30749882029374676
Energy: 0.01344800926658663

minimum gb energy = 0.013126983895168491 eV
minimum distance =  2.48130729892139 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.5481986617381347
Energy: 1.6557949563867616
Energy: 1.6233253901034574
Energy: 1.7000072438417972
Energy: 1.6236424495258157
Energy: 1.6557373163620248
Energy: 1.556654251898668
Energy: 1.679510489349208
Energy: 1.624584890500157
Energy: 1.5623617160260732
Energy: 1.6225665978120127
Energy: 1.6242092117804108
Energy: 1.562822315450455
Energy: 1.6228107438340986
Energy: 1.6869221521625979
Energy: 1.5566024233516143
Energy: 1.624135119502194
Energy: 1.622384498337037
Energy: 1.6967650345454641
Energy: 1.6213268561777492
Energy: 1.7003725518869646
Energy: 1.5574688117757782
Energy: 1.6213317828819498
Energy: 1.6212176677393066
Energy: 1.566882440118919
Energy: 1.6219000329703348
Energy: 1.6212391718125336
Energy: 1.5634287343922086
Energy: 1.6889744110225113
Energy: 1.622583203831336
Energy: 1.5650616449192392
Energy: 1.6961748973365185
Energy: 1.696904672203068
Energy: 1.714237517187398
Energy: 1.6977689761228867
Energy: 1.6970994290887773
Energy: 1.5693358218326623
Energy: 1.6962399499929306
Energy: 1.6979343611435038
Energy: 1.8355079345983645
Energy: 1.6976851574895258
Energy: 1.6964793764356503
Energy: 1.5717116043968733
Energy: 1.5736620492465503
Energy: 1.7184890603583318
Energy: 1.563667624463387
Energy: 1.8298231683214765
Energy: 1.5734452482984664
Energy: 1.5575871189638206
Energy: 1.6968081693457162
Energy: 1.6976144448061508
Energy: 1.707490184723901
Energy: 1.6977309538661172
Energy: 1.5637393674651354
Energy: 1.5617315948168233
Energy: 1.6966761003221293
Energy: 1.6964578986201706
Energy: 1.711811827961456
Energy: 1.6975269708630332
Energy: 1.7260977441287813
Energy: 1.5636414066913058
Energy: 1.7140240190370892
Energy: 1.6224195569163624
Energy: 1.5654204492119277
Energy: 1.6219062145193095
Energy: 1.715221965844822
Energy: 1.6978271140683596
Energy: 1.6211064237203412
Energy: 1.6432120726596597
Energy: 1.5564146596399482
Energy: 1.6221288663646534
Energy: 1.6217003807783692
Energy: 1.7191809574554007
Energy: 1.6212378135577379
Energy: 1.6432674149106727
Energy: 1.5557901941375523
Energy: 1.6220451309260229
Energy: 1.6225651742463392
Energy: 1.5628508118872413
Energy: 1.6214236124086092
Energy: 1.6220393134065383
Energy: 1.5655488867070382
Energy: 1.6223799882041758
Energy: 1.6212227274301472
Energy: 1.5551972679012445
Energy: 1.6220680127566305
Energy: 1.6211264602818496
Energy: 1.7095550863070719
Energy: 1.6213012476998951
Energy: 1.7011182980031383
Energy: 1.5554223215458087
Energy: 1.6237009614416245
Energy: 1.6214928009659704
Energy: 1.697894049333309
Energy: 1.6215218449486029
Energy: 1.6213424099884226
Energy: 1.5625403650939784
Energy: 1.6220193284606657
Energy: 1.563852459726174
Energy: 1.5630726126026568
Energy: 1.6970214568927764
Energy: 1.6245028478364703
Energy: 1.7080160516386234
Energy: 1.700767530518292
Energy: 1.6973229110280168
Energy: 1.6971258642169238
Energy: 1.697428873415389
Energy: 1.6992923650028664
Energy: 1.7073213204467608
Energy: 1.697400554998409
Energy: 1.563215218795918
Energy: 1.564709401457659
Energy: 1.6970324793535136
Energy: 1.828118178584414
Energy: 1.7174367247300844
Energy: 1.6969830891731756
Energy: 1.5656374190632611
Energy: 1.56437391908662
Energy: 1.6970710912351796
Energy: 1.6234777083651004
Energy: 1.700577358274396
Energy: 1.6976443240637429
Energy: 1.7256575512082664
Energy: 1.5582031261867537
Energy: 1.6964031303935145
Energy: 1.6963379574797683
Energy: 1.5621104431155919
Energy: 1.6217011305128106
Energy: 1.698899730405886
Energy: 1.5586582628245254
Energy: 1.6975028767059368
Energy: 1.623101094303197
Energy: 1.5567299982166931
Energy: 1.6875116503770573
Energy: 1.6212704646241312
Energy: 1.7131409308400414
Energy: 1.6223442444681733
Energy: 1.6239114816193776

minimum gb energy = 1.5551972679012445 eV
minimum distance =  2.28734305828271 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 3.1459703229830285
Energy: 1.744624015166876
Energy: 1.7014278034658015
Energy: 1.7246345892972759
Energy: 1.701366439322951
Energy: 1.764102026661831
Energy: 1.7860066255161031
Energy: 1.749843433851359
Energy: 1.701253065697123
Energy: 1.748649402775391
Energy: 1.7006819304707717
Energy: 1.7502733658627514
Energy: 1.8662163528639129
Energy: 1.7500706312400969
Energy: 1.8202966910589569
Energy: 1.6469988235254631
Energy: 1.7507172031307552
Energy: 1.7527504287757207
Energy: 1.879094904315573
Energy: 1.7495325248330738
Energy: 1.750268789078021
Energy: 1.6451382469992917
Energy: 1.7497025166146343
Energy: 1.7498702222232367
Energy: 1.8971893942102986
Energy: 1.7508666566865292
Energy: 1.7032808138122313
Energy: 1.8657440335882975
Energy: 1.7954330065580515
Energy: 1.800599080279187
Energy: 1.730356916346824
Energy: 1.8158167796906286
Energy: 1.6996415315517552
Energy: 1.7410389089421827
Energy: 1.8179941227406793
Energy: 1.8160791615288527
Energy: 1.7298126504279623
Energy: 1.8169101192980197
Energy: 1.8161599252355023
Energy: 1.8146519492590436
Energy: 1.8164773971707997
Energy: 1.8173902352141253
Energy: 1.7629264123752326
Energy: 1.7003325029313523
Energy: 1.7003770782119703
Energy: 1.7009078559316715
Energy: 1.8170140732266749
Energy: 1.6996898315789808
Energy: 1.649867495814179
Energy: 1.7503687565738708
Energy: 1.7504115684068684
Energy: 1.887318651073288
Energy: 1.7499579840159554
Energy: 1.7785736587938112
Energy: 1.8020910934183045
Energy: 1.7498813078216549
Energy: 1.7500994059769914
Energy: 1.8965738803692347
Energy: 1.7494261603814747
Energy: 1.7493920397710438
Energy: 1.7298638762999636
Energy: 1.804949478209875
Energy: 1.7502007204513184
Energy: 1.8637986813032486
Energy: 1.7492640318904304
Energy: 1.702615810081872
Energy: 1.7233220324678165
Energy: 1.7006994935032447
Energy: 1.6999002988572072
Energy: 1.6415885492891102
Energy: 1.7009564215235953
Energy: 1.702785652908107
Energy: 1.719003567579906
Energy: 1.6998108881064578
Energy: 1.7002083059126514
Energy: 1.641105407665492
Energy: 1.6999406170675153
Energy: 1.7000038550390717
Energy: 1.756310559779865
Energy: 1.6520548135327282
Energy: 1.7512602301898024
Energy: 1.8636922522607016
Energy: 1.7497623942896496
Energy: 1.723681718388536
Energy: 1.726160931849298
Energy: 1.7838427223468654
Energy: 1.7850230278173147
Energy: 1.8970788854069405
Energy: 1.7855329271900693
Energy: 1.7841783663200455
Energy: 1.6533178795719952
Energy: 1.7845891358818917
Energy: 1.7859441850005615
Energy: 1.895786578275285
Energy: 1.785425955579173
Energy: 1.6496866317787742
Energy: 1.6525413958520205
Energy: 1.6525407355407289
Energy: 1.75795467630647
Energy: 1.9024765421043333
Energy: 1.7852801644339396
Energy: 1.6522252068508492
Energy: 1.650860927109424
Energy: 1.7835567380488657
Energy: 1.7842811998900558
Energy: 1.9320115709618344
Energy: 1.7845041824060197
Energy: 1.8155149542500981
Energy: 1.6481185270277288
Energy: 1.7837296717209017
Energy: 1.7503711640693378
Energy: 1.897181872063312
Energy: 1.7842779817664152
Energy: 1.7844421742303125
Energy: 1.7239128363708547
Energy: 1.6987071839148284
Energy: 1.7495575944575035
Energy: 1.8669173420168967
Energy: 1.7499857438075077
Energy: 1.7272117460073106
Energy: 1.7157338306052472
Energy: 1.6990070607296668
Energy: 1.737280310436897
Energy: 1.6420266001010688
Energy: 1.6994621370216365
Energy: 1.7003421304897866
Energy: 1.7319427107922833
Energy: 1.700432849902709
Energy: 1.7513664580061257
Energy: 1.642940831612486
Energy: 1.7020545884488598
Energy: 1.700120025969934
Energy: 1.7741092169154262
Energy: 1.820875023176836
Energy: 1.7553905158820666
Energy: 1.8687570824052337
Energy: 1.7556863713643012
Energy: 1.7765778903182914
Energy: 1.8334584170968817
Energy: 1.7526473570493186
Energy: 1.7504754294046267
Energy: 1.8947949030930835
Energy: 1.7508476557464894
Energy: 1.7920774932644148
Energy: 1.8626919373300583
Energy: 1.799847928055432
Energy: 1.7555572772997599
Energy: 1.8979217708164402
Energy: 1.7509320410181406
Energy: 1.7765869948831798
Energy: 1.7308693146969696
Energy: 1.6995253109092712
Energy: 1.81596702186948
Energy: 1.7303268205805957
Energy: 1.8153657194134003
Energy: 1.699980876702229
Energy: 1.7846439396605818
Energy: 1.8154041574282045
Energy: 1.8154754414902883
Energy: 1.735696267047658
Energy: 1.815012974389881
Energy: 1.8153216431993617
Energy: 1.730765612694391
Energy: 1.8160608180650788
Energy: 1.7016188258002871
Energy: 1.7364553163526752
Energy: 1.8161228255146185
Energy: 1.6999625573032808
Energy: 1.884724972533044
Energy: 1.7573130815550866
Energy: 1.7794817618194676
Energy: 1.7217629747277208
Energy: 1.7522501362298128
Energy: 1.7938177126283874
Energy: 1.8848505864069414
Energy: 1.756742360383289
Energy: 1.752491848145087
Energy: 1.642382966060315
Energy: 1.7512193620322183
Energy: 1.7575048124540054
Energy: 1.8751131831869254
Energy: 1.7531616033684085
Energy: 1.7812036402721765
Energy: 1.7754297640176908
Energy: 1.7502523006877955
Energy: 1.7579467617906401
Energy: 1.7249694263236457
Energy: 1.7018395567906175
Energy: 1.6987425481027412
Energy: 1.7393155450542186
Energy: 1.6989792781795394
Energy: 1.773872375881587
Energy: 1.6433146731581314
Energy: 1.702833270395117
Energy: 1.6991772428464906
Energy: 1.7216993698092027
Energy: 1.700187364962764
Energy: 1.7513945789084855
Energy: 1.8674508833423162
Energy: 1.7503221736465446
Energy: 1.722227570788065
Energy: 1.736046587795618
Energy: 1.7009055676286884
Energy: 1.75168725983362
Energy: 1.914661356182034
Energy: 1.7847089777788678
Energy: 1.7840043840572604
Energy: 1.7295039841088904
Energy: 1.7836126191310622
Energy: 1.7507267786906275
Energy: 1.881557583815051
Energy: 1.7853139196160046
Energy: 1.7838319048307718
Energy: 1.6531611848101053
Energy: 1.7838773192759771
Energy: 1.7832342447832266
Energy: 1.8703877336516135
Energy: 1.8701732434390443
Energy: 1.6531157522615494
Energy: 1.6527106292524396
Energy: 1.6527087006140428
Energy: 1.8806430703370105
Energy: 1.8807587096096015
Energy: 1.7885689922212806
Energy: 1.7842443133899455
Energy: 1.649725432606804
Energy: 1.7838457523887574
Energy: 1.7846160177585528
Energy: 1.9127132630163541
Energy: 1.7854482113403178
Energy: 1.783849446247861
Energy: 1.6516252457097427
Energy: 1.7836280633741632
Energy: 1.7502639454312177
Energy: 1.867657729534635
Energy: 1.749852977524541
Energy: 1.7222530326762835
Energy: 1.7227066736622643
Energy: 1.7214495280242896
Energy: 1.7506507381244736
Energy: 1.6418425840641673
Energy: 1.7007480284212502
Energy: 1.7016662773683051
Energy: 1.7187339015313563
Energy: 1.7019110033817846
Energy: 1.7551650451974588

minimum gb energy = 1.641105407665492 eV
minimum distance =  2.27554007495462 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.9683681830574202
Energy: 1.8466034703957297
Energy: 1.799675544848685
Energy: 1.906924639813179
Energy: 1.7994599470858235
Energy: 1.8475882971080302
Energy: 1.680912606925747
Energy: 1.8541031570254134
Energy: 1.7989285212495927
Energy: 1.791786317075805
Energy: 1.7994484403186566
Energy: 1.793847185797321
Energy: 1.9722084927872567
Energy: 1.7910743797957256
Energy: 1.852844444738574
Energy: 1.8991760600224588
Energy: 1.7940405941840263
Energy: 1.790773029928555
Energy: 1.893480801609577
Energy: 1.7914390699653404
Energy: 1.7893724021870814
Energy: 1.8847280423882908
Energy: 1.7897897958269309
Energy: 1.791452140764588
Energy: 1.9086731084168371
Energy: 1.793512807658314
Energy: 1.7938184436684836
Energy: 1.9040783365631202
Energy: 1.8388791728506968
Energy: 1.793498919929006
Energy: 1.8962080346522363
Energy: 1.843869762750027
Energy: 1.791068004340302
Energy: 1.9240384928069927
Energy: 1.842470584922165
Energy: 1.8419787820066797
Energy: 1.8962435696492868
Energy: 1.8438245316704605
Energy: 1.8437551079717933
Energy: 2.07761468967565
Energy: 1.844224340441125
Energy: 1.8425559792946917
Energy: 1.9754743265832142
Energy: 1.801640487601773
Energy: 1.7933748940673504
Energy: 1.922325934903478
Energy: 1.8424487208423734
Energy: 1.8017361197241055
Energy: 1.681691454458766
Energy: 1.7982859839377396
Energy: 1.793403013740895
Energy: 1.8941539325305476
Energy: 1.7918283741785233
Energy: 1.673792980834132
Energy: 1.6830061396407863
Energy: 1.7892196909901383
Energy: 1.7904525814388497
Energy: 1.9048634966431863
Energy: 1.79047794282472
Energy: 1.8258447027291336
Energy: 1.8988488425009022
Energy: 1.7935662065887727
Energy: 1.7973681040077385
Energy: 1.9150514755888268
Energy: 1.794751527956181
Energy: 1.7888230268301821
Energy: 1.9074192063673872
Energy: 1.788472352894862
Energy: 1.7896035154214536
Energy: 1.8944001508714472
Energy: 1.7886130532762317
Energy: 1.7887597176806644
Energy: 1.8882290429144877
Energy: 1.7886793644358585
Energy: 1.7978127084375197
Energy: 1.8942953253819264
Energy: 1.7892643423724648
Energy: 1.788551430528389
Energy: 1.9718012197553798
Energy: 1.7945611874197147
Energy: 1.7943359370660388
Energy: 1.926729044549601
Energy: 1.7944495662836806
Energy: 1.7894287032297342
Energy: 1.8980180048011492
Energy: 1.8415719942090218
Energy: 1.8410426921541392
Energy: 2.0995160909968744
Energy: 1.8415783481257095
Energy: 1.8413585030642001
Energy: 1.9094980493551832
Energy: 1.8409825089245013
Energy: 1.841334376454466
Energy: 2.0960870303695707
Energy: 1.841607966487734
Energy: 1.7897519391407721
Energy: 1.9050053719267541
Energy: 1.7940484527948999
Energy: 1.7947076270423867
Energy: 1.9232247544543914
Energy: 1.7938046936172296
Energy: 1.7942310336111107
Energy: 1.6823805924675417
Energy: 1.7894335036204516
Energy: 1.78854354354918
Energy: 1.8831381195065935
Energy: 1.7892706392726503
Energy: 1.8263088188267214

minimum gb energy = 1.673792980834132 eV
minimum distance =  2.28019406142321 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.733818036664028
Energy: 1.9675826214797567
Energy: 1.9022906356186564
Energy: 1.9119688989244843
Energy: 1.9027014270908023
Energy: 1.97001200731964
Energy: 1.8036366425918484
Energy: 1.941752403423158
Energy: 1.9032699609371866
Energy: 1.8036479847893343
Energy: 1.9006277724004876
Energy: 1.9416791244410436
Energy: 1.8733532904882177
Energy: 1.9400437068623384
Energy: 1.9713167301709005
Energy: 1.810869390057083
Energy: 1.9402359572113181
Energy: 1.9394588518630766
Energy: 1.9320235080900632
Energy: 1.9415160788831716
Energy: 1.9405643478880779
Energy: 1.9521054723187063
Energy: 1.9412477291140682
Energy: 1.942930904636422
Energy: 1.873764500327053
Energy: 1.950722109647624
Energy: 1.9677382163447308
Energy: 1.8040871713460283
Energy: 1.9672098511525746
Energy: 1.9422417861828332
Energy: 1.873773360875937
Energy: 1.9474845102862524
Energy: 1.9631811552930862
Energy: 1.807695761960786
Energy: 1.9418884178991331
Energy: 1.9521771085920963
Energy: 1.8724389719333918
Energy: 1.9532820345330222
Energy: 1.9108021388668845
Energy: 1.90362524429538
Energy: 1.953715049473869
Energy: 1.9537945192731057
Energy: 1.8764805222263488
Energy: 1.9419031636026696
Energy: 1.9022470113187389
Energy: 1.8085238758542967
Energy: 1.951546238995036
Energy: 1.9398425469046359
Energy: 1.7985375541594892
Energy: 1.970195265733384
Energy: 1.9024580660576815
Energy: 1.810568416364646
Energy: 1.9008117202982884
Energy: 1.9401170143138562
Energy: 1.809523055510021
Energy: 1.9001953071474629
Energy: 1.900938869300063
Energy: 1.9092560718060532
Energy: 1.8985155424477953
Energy: 1.9427610003231957
Energy: 1.8734707400400885
Energy: 1.9526617649521767
Energy: 1.9023921673617399
Energy: 1.8752864702262497
Energy: 1.9019884430207328
Energy: 1.9523171665874517
Energy: 1.815311983484083
Energy: 1.9065986100404497
Energy: 1.9072009700178356
Energy: 1.8724238783501026
Energy: 1.907185833438698
Energy: 1.9405575730195026
Energy: 2.2057447351654225
Energy: 1.9083927857026526
Energy: 1.90862918950991
Energy: 1.8750248835738432
Energy: 1.90833745185262
Energy: 1.908955093960254
Energy: 1.8742493523345585
Energy: 1.9417986793613107
Energy: 1.9426198306909621
Energy: 1.8744184401343698
Energy: 1.9425505579428102
Energy: 1.9019246238191612
Energy: 1.917161713955829
Energy: 1.8995919653583235
Energy: 1.9420662345505713
Energy: 1.8015239805348888
Energy: 1.9059354952414014
Energy: 1.9010474432232307
Energy: 1.873283490365715
Energy: 1.8993428658378988
Energy: 1.9554553950652185
Energy: 1.7932709584623359
Energy: 1.9020056933734584
Energy: 1.9002604363431332
Energy: 1.8082365715123485
Energy: 1.9023848094124989
Energy: 1.9525889691929998
Energy: 1.9213164429753258
Energy: 1.9515380891560636
Energy: 1.9015567299811282
Energy: 1.8620601507783954
Energy: 1.9401055906771496
Energy: 1.9406064731029264
Energy: 1.81676106670438
Energy: 1.9401249812881047
Energy: 1.9443354299662858
Energy: 1.8619404425921622
Energy: 1.940185083397658
Energy: 1.9409391607979687
Energy: 2.123583996295612
Energy: 1.9398138684851653
Energy: 1.9713770024553126
Energy: 1.807631247554959
Energy: 1.9724015677190685
Energy: 1.9018121737281728
Energy: 1.8170390282987612
Energy: 1.8940328150284569
Energy: 1.8039468818923192
Energy: 1.7969531678902089
Energy: 1.9405514785783362
Energy: 1.9400378202369504
Energy: 2.129321087962813
Energy: 1.9400208624272393
Energy: 1.9600529558821982
Energy: 1.7961933374039571
Energy: 1.9409772366301548
Energy: 1.9426179175435614
Energy: 1.8164251514894114
Energy: 1.941616672074806
Energy: 1.898428669820566
Energy: 1.8060419725090855
Energy: 1.901976571709396
Energy: 1.9537849703221508
Energy: 1.9165855226743098
Energy: 1.9534751902994967
Energy: 1.9019201587617982
Energy: 1.8718880011604624
Energy: 1.9006467254453756
Energy: 1.9417729282827427
Energy: 1.7962451457446902
Energy: 1.9008387179057444
Energy: 1.902025981945004
Energy: 1.9157742138797942
Energy: 1.9005656300348601
Energy: 2.045973707930322
Energy: 1.7977270222367983
Energy: 1.9010150806730959
Energy: 1.9003186581109524
Energy: 1.8753868620788183
Energy: 1.9013246633186789
Energy: 1.9471296922558967
Energy: 1.8744049101744114
Energy: 1.9442987897998962
Energy: 1.9012011212569362
Energy: 1.8676530798771234
Energy: 1.9074927689342638
Energy: 1.9080010025999337
Energy: 1.8727977931146038
Energy: 1.9079589542764992
Energy: 1.9057823378623764
Energy: 1.8721008010724314
Energy: 1.9069670914951824
Energy: 1.90741495677908
Energy: 1.9047524142016254
Energy: 1.9058951303469203
Energy: 1.9089118221333865
Energy: 1.8743552910546666
Energy: 1.9514200713848078
Energy: 1.9008283142038518
Energy: 1.8805306235215902
Energy: 1.9628818791020584
Energy: 1.9094396641045324
Energy: 1.788406487068332
Energy: 1.9018210055468872
Energy: 1.901100092155687
Energy: 1.9159555697523258
Energy: 1.9014499549713086
Energy: 1.953531148823298

minimum gb energy = 1.788406487068332 eV
minimum distance =  2.24258444044528 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 2.2629526833989027
Energy: 1.8258969335240058
Energy: 1.8645890533076193
Energy: 1.7732446971176063
Energy: 1.8646507962236276
Energy: 1.8252418914010942
Energy: 1.7515050974778472
Energy: 1.8240683725776825
Energy: 1.8701933911517277
Energy: 1.7811160366888958
Energy: 1.870516543829842
Energy: 1.862140952066198
Energy: 1.7765569212674688
Energy: 1.8574663029430227
Energy: 1.8250276350375205
Energy: 1.7640249362615381
Energy: 1.856136817863448
Energy: 1.8547503319904914
Energy: 1.9107853073194325
Energy: 1.8582846093501209
Energy: 1.856996802824659
Energy: 1.7729644612334297
Energy: 1.8570277127665291
Energy: 1.8573744300175425
Energy: 1.7776562595492813
Energy: 1.8580996954897477
Energy: 1.8171520257473315
Energy: 1.7760314526901397
Energy: 1.816139547410092
Energy: 1.8639111795913281
Energy: 1.7846598525939876
Energy: 1.8658643538177182
Energy: 1.8238629767402394
Energy: 1.7700346693087472
Energy: 1.8242197793479478
Energy: 1.8666489405771851
Energy: 1.7722650195810428
Energy: 1.863798367319669
Energy: 1.8253082717906735
Energy: 2.260486450389023
Energy: 1.8651395742009202
Energy: 1.8654083941696258
Energy: 1.7809936092268368
Energy: 1.8695191565060414
Energy: 1.863815905201905
Energy: 1.777655622457728
Energy: 1.8241547699425011
Energy: 1.7761813425973847
Energy: 1.7639321173206741
Energy: 1.8561440395902247
Energy: 1.85587475741834
Energy: 1.776428822208266
Energy: 1.8572519131462197
Energy: 1.8249685796752648
Energy: 1.7493667935340271
Energy: 1.857021956050107
Energy: 1.8578391402796943
Energy: 1.778860916119584
Energy: 1.8581445229632998
Energy: 1.8570889978894967
Energy: 1.7759007095798938
Energy: 1.8161440941530553
Energy: 1.8593160558024926
Energy: 1.777771544853869
Energy: 1.8575098367820773
Energy: 1.8555792126569555
Energy: 1.7687215804000718
Energy: 1.8245085462335355
Energy: 1.865260635992902
Energy: 1.7838507975029338
Energy: 1.8711802905699353
Energy: 1.8630471992774444

minimum gb energy = 1.7493667935340271 eV
minimum distance =  2.28415231379651 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.933226216768668
Energy: 1.9545835026292295
Energy: 1.8342858932070594
Energy: 1.8421180897629688
Energy: 1.8643479954365163
Energy: 2.000525774669918
Energy: 1.8356640506823867
Energy: 1.9919241274558415
Energy: 1.8572297234731032
Energy: 1.8138599841961156
Energy: 1.8567728820164457
Energy: 1.992720656480639
Energy: 1.81344081787189
Energy: 1.9938437053608882
Energy: 2.0349251809722104
Energy: 1.8120762216710395
Energy: 1.9904283931746982
Energy: 1.8621675692834747
Energy: 1.7608511520630612
Energy: 1.999054446914504
Energy: 1.9909726765897031
Energy: 1.8756679146061161
Energy: 1.9921399974880667
Energy: 2.0607600811276363
Energy: 1.8115723100485797
Energy: 2.034286411644674
Energy: 1.9977935935339504
Energy: 1.8110757784967801
Energy: 1.9925633356423653
Energy: 1.8642311287782272
Energy: 1.8173727127206505
Energy: 1.857015401077362
Energy: 1.99153139828676
Energy: 1.8462024202178724
Energy: 1.9911590767019072
Energy: 1.856961499675951
Energy: 1.8100466425411637
Energy: 1.8652528916352282
Energy: 1.9782264801575442
Energy: 2.0070879585960157
Energy: 1.86191656559955
Energy: 1.8066764559930548
Energy: 1.7856715388695632
Energy: 1.8576559821503547
Energy: 1.9913003867566652
Energy: 1.846536637047244
Energy: 2.09225742977752
Energy: 1.8028620183787534
Energy: 1.808962918827078
Energy: 2.0342624136847736
Energy: 2.0789599801520717
Energy: 1.8117959597101607
Energy: 2.075235735979588
Energy: 1.931742279693068
Energy: 1.8082891595349084
Energy: 2.0345130176376798
Energy: 1.9937636410601187
Energy: 1.9030218565342247
Energy: 1.9952909050140875
Energy: 1.932107747691081
Energy: 1.8045473430674404
Energy: 1.9954868243721504
Energy: 2.0098727830656262
Energy: 1.8356872922369842
Energy: 1.9934462240641304
Energy: 1.8052823067758994
Energy: 1.8068463358509224
Energy: 1.9978939789451289
Energy: 1.9726346963902526
Energy: 1.8102416183065446
Energy: 1.9730465558468993
Energy: 1.9978761779455516
Energy: 1.7994758521778924
Energy: 1.9807608547684046
Energy: 1.9404655384431768
Energy: 1.846939588048567
Energy: 1.9799349691371428
Energy: 1.9998156046743676
Energy: 1.8076841585476038
Energy: 2.0758494513254107
Energy: 1.9250602601491649
Energy: 1.8507659897164828
Energy: 1.9725611761891275
Energy: 2.0002547255661156
Energy: 1.7612594831735258
Energy: 2.080576099761722
Energy: 1.9494932503167568
Energy: 1.8489885009854303
Energy: 2.0225750844167307
Energy: 1.900505132256373
Energy: 1.8341022606440167
Energy: 1.9732778751656463
Energy: 1.9911871390438596
Energy: 1.849473859583807
Energy: 1.972640989401897
Energy: 1.9874387441178447
Energy: 1.748445220271413
Energy: 1.9734087594472094
Energy: 1.9722278208573898
Energy: 1.8484237911597827
Energy: 1.9728428976213206
Energy: 1.9972478500508415
Energy: 1.7544298031401606
Energy: 1.9971918061350362
Energy: 1.978390475272946
Energy: 1.811657036374526
Energy: 1.9953951447555245
Energy: 1.7529553695261997
Energy: 1.8097053697159426
Energy: 1.997871487650765
Energy: 1.99716936323558
Energy: 1.9810418483896763
Energy: 1.997238264925403
Energy: 1.9954116617646356
Energy: 1.809436022190772
Energy: 1.9967116110089713
Energy: 2.0100099526760657
Energy: 1.8137047590314668
Energy: 1.9938100000348853
Energy: 2.031360097540777
Energy: 1.8054317052841315
Energy: 1.8062039741465032
Energy: 1.9929356290963476
Energy: 1.8109126423103392
Energy: 1.9926104448586364
Energy: 1.805905392612215
Energy: 1.7929850176663036
Energy: 1.8594401800083682
Energy: 1.9452007560922395
Energy: 1.7344362539062008
Energy: 1.8589566756202351
Energy: 1.8045049981243748
Energy: 1.8081467914925902
Energy: 1.855813654319487
Energy: 2.094927796947067
Energy: 1.7371849471647283
Energy: 1.854581533531212
Energy: 1.8566768270684086
Energy: 1.809350066343353
Energy: 2.0329855619477044
Energy: 1.9915650901709352
Energy: 1.808540188999885
Energy: 1.9919747495749043
Energy: 1.8621668109873426
Energy: 1.8090597836552211
Energy: 1.9906410664101832
Energy: 2.0369779175701432
Energy: 1.8098262416360316
Energy: 1.9903102150529244
Energy: 2.026705606801053
Energy: 1.8111419434483058
Energy: 1.991888529805808
Energy: 2.0255830707194886
Energy: 1.7461794210849446
Energy: 1.9908635031753725
Energy: 1.8625522697061139
Energy: 1.8071571909937463
Energy: 1.9932668385403254
Energy: 1.8631414371066446
Energy: 1.8128195190205902
Energy: 1.8638894140347086
Energy: 1.9310688816689334
Energy: 1.7962584612425376
Energy: 1.8582451813478669
Energy: 1.859294138839503
Energy: 1.806409117746424
Energy: 1.8583773739251614
Energy: 1.9704087534082098
Energy: 1.7973747003893883
Energy: 1.8592895311129043
Energy: 1.8541952049367278
Energy: 1.781026561771612
Energy: 1.8542563462690664
Energy: 2.0020237547812125
Energy: 1.8094309556296655
Energy: 2.085080293232606
Energy: 1.8075733201858615
Energy: 1.8110466946490626
Energy: 2.062482890084228
Energy: 1.971241885576367
Energy: 1.8360596451210778
Energy: 1.9931956946699931
Energy: 2.0219396591875034
Energy: 1.806290545892124
Energy: 1.9944258497561906
Energy: 2.0068722963425314
Energy: 1.835878851821663
Energy: 1.998835512446918
Energy: 2.037484552826057
Energy: 1.8077757719506016
Energy: 1.996991252734153
Energy: 1.990059909702756
Energy: 1.8097221787162758
Energy: 1.9743494900996803
Energy: 1.9976910487338244
Energy: 1.759932820108993
Energy: 1.9958659635306681
Energy: 1.9742278286222945
Energy: 1.8456093916932033
Energy: 1.9753304422057474
Energy: 1.9733480298158654
Energy: 1.8554362265892093
Energy: 1.972433589891709
Energy: 1.9010660365830852
Energy: 1.8871363127144158
Energy: 1.9728684094756734
Energy: 1.9732520435359022
Energy: 1.7989514821825305
Energy: 1.97471537276115
Energy: 1.9250261121902368
Energy: 1.8422932643390648
Energy: 2.0388149022930415
Energy: 1.9913889901055486
Energy: 1.749499973573697
Energy: 2.1829895030907167
Energy: 1.847085572006768
Energy: 1.889967472943919
Energy: 1.9743073272505651
Energy: 2.0023092395250917
Energy: 1.746141826697011
Energy: 1.9741669824592643
Energy: 1.9386249506335809
Energy: 1.8448351432247658
Energy: 1.9758465268000103
Energy: 1.9893933117673503
Energy: 1.9439057878453634
Energy: 1.9730443513656908
Energy: 1.9010251662768047
Energy: 1.8123086024492048
Energy: 1.9739482400666075
Energy: 1.9948188890237601
Energy: 1.7574970807933916
Energy: 1.995261977674255
Energy: 1.8607481233881882
Energy: 1.7995659004497533
Energy: 1.9984263463812342
Energy: 1.9973087738916326
Energy: 1.8105488085976245
Energy: 1.999103824167195
Energy: 1.9930494931482914
Energy: 1.8128272039039075
Energy: 1.9933012291162315
Energy: 1.9952238876362631
Energy: 1.806308219992351
Energy: 1.9938803350928411
Energy: 2.0070474291387304
Energy: 1.8075164021281844
Energy: 2.0756337187067473
Energy: 1.8068596596693403
Energy: 1.812264279563653
Energy: 2.028281778145135
Energy: 1.856590278623559
Energy: 1.7378378244194834
Energy: 1.9877593990336462
Energy: 1.7837437845678665
Energy: 1.7828273123458411
Energy: 1.8557522351872282
Energy: 1.9924435837134649

minimum gb energy = 1.7344362539062008 eV
minimum distance =  2.27010854330167 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 3.2950410696732044
Energy: 1.96369060662288
Energy: 1.6628433324991703
Energy: 1.6653876257614215
Energy: 1.8704055378775748
Energy: 1.9646120988125495
Energy: 1.5553495180170034
Energy: 1.9717782612547512
Energy: 1.7923324364580793
Energy: 1.5674326374786072
Energy: 1.7941201751698301
Energy: 1.9594854860525504
Energy: 1.5674015735521178
Energy: 1.9718325592014971
Energy: 1.9870233118774296
Energy: 1.5775027887688662
Energy: 1.9700157010488595
Energy: 1.7966744673451276
Energy: 1.5561086697244617
Energy: 1.8616321096868258
Energy: 1.9702986235040718
Energy: 1.5740822017461842
Energy: 1.9709556928690362
Energy: 1.5589124749245418
Energy: 1.557677290910382
Energy: 1.858648452471563
Energy: 1.971395689532884
Energy: 1.5679373418149676
Energy: 1.9702047132302722
Energy: 1.8160264789534073
Energy: 1.5669312951481007
Energy: 1.7943500762153717
Energy: 1.9774760596352234
Energy: 1.5779451947522047
Energy: 1.7966968651078776
Energy: 1.796728382686661
Energy: 1.6263172704273274
Energy: 1.8102127556471392
Energy: 1.8104550233921302
Energy: 1.8501486718911515
Energy: 1.8105201880365955
Energy: 1.6259165293900975
Energy: 1.650714256007114
Energy: 1.7933730012684632
Energy: 1.9583832368355831
Energy: 1.5757690620124993
Energy: 1.7980260465591258
Energy: 1.7981208508882156
Energy: 1.6468391398914113
Energy: 1.628051270973627
Energy: 1.972364478142365
Energy: 1.5740723754036912
Energy: 1.9595540241049236
Energy: 1.6222550595868537
Energy: 1.6483262669539056
Energy: 1.6519004108977235
Energy: 1.952017169576913
Energy: 1.5601604306858754
Energy: 1.7972177884061897
Energy: 1.626855781497554
Energy: 1.5730170870113853
Energy: 1.7952074996461727
Energy: 1.9498642781749
Energy: 1.558738295096225
Energy: 1.7941437425750268
Energy: 1.5671417437415822
Energy: 1.5783111217911083
Energy: 1.9742502195061578
Energy: 1.9501779524165475
Energy: 1.5658195539581976
Energy: 1.9715438862073311
Energy: 1.7979391712233583
Energy: 1.5760783468057267
Energy: 1.9714571488172212
Energy: 1.8588610769403888
Energy: 1.575574499524992
Energy: 1.970962228984537
Energy: 1.9717485381746327
Energy: 1.5758180090998668
Energy: 1.9700456892648504
Energy: 1.8644755818038177
Energy: 1.5554818963217196
Energy: 1.9698136747399253
Energy: 1.9743091983372498
Energy: 1.573709698811778
Energy: 1.972101160584687
Energy: 1.7984167275966745
Energy: 1.5735922229255954
Energy: 1.7997556725726813
Energy: 1.9519560632111828
Energy: 1.5487834888922485
Energy: 1.79673331919026
Energy: 1.8010024126381559
Energy: 1.5757636005038622
Energy: 1.8018704469872744
Energy: 1.8494666224060776
Energy: 1.548093981246295
Energy: 1.794348261966323
Energy: 1.7933030023904535
Energy: 1.6520825413125457
Energy: 1.7980838416138953
Energy: 1.9738742881801112
Energy: 1.5680301058558068
Energy: 1.9853280856784319
Energy: 1.6280934086758034
Energy: 1.6250451249791926
Energy: 1.802200629135953
Energy: 1.9504416635361626
Energy: 1.5554714940170027
Energy: 1.952038208994884
Energy: 1.6566121232967201
Energy: 1.6508537767146176
Energy: 1.793246526602136
Energy: 1.9715078141393847

minimum gb energy = 1.548093981246295 eV
minimum distance =  2.24562734802429 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.5394629455325914
Energy: 1.4167995580811976
Energy: 1.4373929873361593
Energy: 1.4398126057558556
Energy: 1.4331358598033928
Energy: 1.4166415108802057
Energy: 1.3983399922569013
Energy: 1.8955032659409312
Energy: 1.6085874837480574
Energy: 1.4087607277818708
Energy: 1.6091226581765328
Energy: 1.8911963133182998
Energy: 1.4116826148233212
Energy: 1.899250341102232
Energy: 1.6177655818456977
Energy: 1.433430397228487
Energy: 1.8545636649922421
Energy: 1.8439621279164458
Energy: 1.3976958246242976
Energy: 1.851674226219917
Energy: 1.692976897519858
Energy: 1.4328116269994808
Energy: 1.8543590094611682
Energy: 1.9124761251093199
Energy: 1.3985874588076541
Energy: 1.8602542608916948
Energy: 1.6911894406696564
Energy: 1.4776016627220745
Energy: 1.8488693574467197
Energy: 1.7853910866511729
Energy: 1.4082608065110456
Energy: 1.8447721401653052
Energy: 1.8451890349469977
Energy: 1.4348234675890652
Energy: 1.8144608732850027
Energy: 1.6929753954210895
Energy: 1.4134404634434934
Energy: 1.6858810625939067
Energy: 1.692063990008917
Energy: 1.4328198529582072
Energy: 1.6917689054904435
Energy: 1.6874397200858782
Energy: 1.5348240378961833
Energy: 1.7582318439047926
Energy: 1.8491617163447012
Energy: 1.6314670235908413
Energy: 1.8495899356231091
Energy: 1.758201900276013
Energy: 1.4147584427641469
Energy: 1.6126371194761036
Energy: 1.8950315425476327
Energy: 1.4124615732293766
Energy: 1.8618776696596437
Energy: 1.613109518029706
Energy: 1.4122616378517696
Energy: 1.4362715454551767
Energy: 1.6156090007141748
Energy: 1.7129879902666025
Energy: 1.6161763461868683
Energy: 1.4111425545641183
Energy: 1.4389149734243487
Energy: 1.611745055159486
Energy: 1.6105831921458356
Energy: 1.3941061005294266
Energy: 1.6112580481990568
Energy: 1.4367300305723005
Energy: 1.4309576073421182
Energy: 1.433409945074885
Energy: 1.8943888573953982
Energy: 1.6780528561436767
Energy: 1.8174365684432177
Energy: 1.4332090426679258
Energy: 1.4680585428555393
Energy: 1.4740428925873137
Energy: 1.8438815916474702
Energy: 1.4035992141682807
Energy: 1.6096972030612828
Energy: 1.4729571035325066
Energy: 1.4161974124421264
Energy: 1.4146759447199186
Energy: 1.4023198111608035
Energy: 1.391502818406202
Energy: 1.4358135391884073
Energy: 1.4158095085432787
Energy: 1.4123577142297365
Energy: 1.6107996821820154
Energy: 1.8947131260452372
Energy: 1.6162515720323354
Energy: 1.8746417553232433
Energy: 1.6148152943991938
Energy: 1.416762148399655
Energy: 1.8526477360496454
Energy: 1.8924280588349398
Energy: 1.6837944230605815
Energy: 1.849755481037574
Energy: 1.6924220324846966
Energy: 1.4142075054046845
Energy: 1.6925634246508925
Energy: 1.9023535845997188
Energy: 1.404537714205351
Energy: 1.6937844738223373
Energy: 1.6151175528931423
Energy: 1.4082566884244965
Energy: 1.8511691102671999
Energy: 1.8448563147457315
Energy: 1.4678605453919613
Energy: 1.8598711900880016
Energy: 1.8518163371493492
Energy: 1.4136447629832336
Energy: 1.8134255857086072
Energy: 1.6928446123006773
Energy: 1.6130115601326063
Energy: 1.848906520286782
Energy: 1.8464260949194786
Energy: 1.3939173651015675
Energy: 1.7033229939391163
Energy: 1.6865892338439024
Energy: 1.6138212350806065
Energy: 1.693614621255906
Energy: 1.852964507165263
Energy: 1.4116762391040967
Energy: 1.8493525089498273
Energy: 1.7038285806247042
Energy: 1.3994314492486002
Energy: 1.6878079518328617
Energy: 1.8944494501918903
Energy: 1.4170685364304516
Energy: 1.9052966558764441
Energy: 1.610869443861486
Energy: 1.4090313821382552
Energy: 1.6106876826781265
Energy: 1.891351613039155
Energy: 1.3975743857538339
Energy: 1.4351596270458489
Energy: 1.4133146746087955
Energy: 1.4168051519574214
Energy: 1.4368701651695213
Energy: 1.7105229080245727
Energy: 1.3973961973893405
Energy: 1.6100139191463327
Energy: 1.6096630620639703
Energy: 1.4703657429817691
Energy: 1.6089659415293271
Energy: 1.8972124452549208
Energy: 1.4098702906581702
Energy: 1.8536093719060258
Energy: 1.4331345107970357
Energy: 1.431191432309849
Energy: 1.432857089387975
Energy: 1.8965506657683797
Energy: 1.4002570061061237
Energy: 1.6104263915210695
Energy: 1.4389974874959417
Energy: 1.4456013141271211
Energy: 1.4385312468171054
Energy: 1.8452157258424986

minimum gb energy = 1.391502818406202 eV
minimum distance =  2.23243090070951 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.3575728725118497
Energy: 1.2844888451689696
Energy: 1.316405361182583
Energy: 1.3132191849799895
Energy: 1.3155769812189415
Energy: 1.3088671718891456
Energy: 1.509719734490155
Energy: 1.676990152702908
Energy: 1.3303855220234333
Energy: 1.5248104980638881
Energy: 1.4576620576151038
Energy: 1.6744443766368562
Energy: 1.3169256504322582
Energy: 1.6738470150861615
Energy: 1.4638123917674488
Energy: 1.4602093684578359
Energy: 1.6754989768341821
Energy: 1.7340979439346307
Energy: 1.2743259153819213
Energy: 1.6748849342200032
Energy: 1.3300757337283642
Energy: 1.4598984297596398
Energy: 1.463073029984904
Energy: 1.7246859633345568
Energy: 1.274641306304481
Energy: 1.676268814805764
Energy: 1.286004932829114
Energy: 1.330704020408916
Energy: 1.6759329947455648
Energy: 1.731883801864105
Energy: 1.5341229216419936
Energy: 1.7335067063835152
Energy: 1.6811796506391405
Energy: 1.7822684385178411
Energy: 1.732211920710869
Energy: 1.7338614068005198
Energy: 1.526973892232615
Energy: 1.7277288724386277
Energy: 1.7272517588683627
Energy: 1.732002344922449
Energy: 1.727309513527572
Energy: 1.7002812799926406
Energy: 1.7449993408828128
Energy: 1.72738395640509
Energy: 1.73986049681458
Energy: 1.6787192543243
Energy: 1.7406878554993652
Energy: 1.7187514562296147
Energy: 1.525797472557293
Energy: 1.680930479141017
Energy: 1.7338653689081376
Energy: 1.7808954227053466
Energy: 1.7344883677125318
Energy: 1.6817955061113743
Energy: 1.5215720428552555
Energy: 1.2859820461929012
Energy: 1.4608742230349212
Energy: 1.5808199032934647
Energy: 1.3302766618029436
Energy: 1.5464282525426807
Energy: 1.5270123839016363
Energy: 1.3301192220448839
Energy: 1.6742334679573658
Energy: 1.5837455974696901
Energy: 1.6749725545661236
Energy: 1.4627929476954307
Energy: 1.5249310182910718
Energy: 1.3155033260305793
Energy: 1.7341229850958952
Energy: 1.726958514266619
Energy: 1.6781307375293775
Energy: 1.460609773258068
Energy: 1.280284233220654
Energy: 1.458829612586343
Energy: 1.4598922310973559
Energy: 1.5447746056728064
Energy: 1.4575070441045193
Energy: 1.3159264816724054
Energy: 1.3100780855227474
Energy: 1.3115550237893427
Energy: 1.3117655385784583
Energy: 1.5793743567278415
Energy: 1.313624625565777
Energy: 1.3113650967425095
Energy: 1.327881733992652
Energy: 1.4595215134268382
Energy: 1.675565086869684
Energy: 1.7247494586689183
Energy: 1.4607736678525072
Energy: 1.315833760101391
Energy: 1.329457424044407
Energy: 1.315696270236823
Energy: 1.6762195930457724
Energy: 1.7250493105172846
Energy: 1.6759320138417857
Energy: 1.327618347064389
Energy: 1.3103554049476478
Energy: 1.3116186032620634
Energy: 1.2735250218615113
Energy: 1.740836503483169
Energy: 1.312752483818856
Energy: 1.3109364861441228
Energy: 1.2809076083088553
Energy: 1.316768704288183
Energy: 1.675077841491538
Energy: 1.5013981941960448
Energy: 1.4581194673662532
Energy: 1.3171833590471278
Energy: 1.5231267934786095
Energy: 1.3157667982413548
Energy: 1.7344254870364022
Energy: 1.7272476448934673
Energy: 1.7180409342196357
Energy: 1.3316795649474622
Energy: 1.5229941260380813
Energy: 1.6755658757950112
Energy: 1.6801436398524976
Energy: 1.7165055157076625
Energy: 1.6745757271834674
Energy: 1.4612686691954453
Energy: 1.5210214832235627
Energy: 1.2859448030929017
Energy: 1.7192970955258609
Energy: 1.7180638122285765
Energy: 1.4617095047403237
Energy: 1.459976421124967
Energy: 1.2890328188642681
Energy: 1.680839157743248
Energy: 1.7341262969506843
Energy: 1.746110009408871
Energy: 1.7342150386267559
Energy: 1.681436626020517
Energy: 1.7602386994070556
Energy: 1.7269028445247094
Energy: 1.7402410209082573
Energy: 1.6771283087691145
Energy: 1.7454923085794292
Energy: 1.730757982866818
Energy: 1.7584138636511808
Energy: 1.7395618856380521
Energy: 1.731847266374629
Energy: 1.6096191833971178
Energy: 1.7275613462051433
Energy: 1.7483479901248482
Energy: 1.3143253370084516
Energy: 1.7269435233256567
Energy: 1.6813516504418176
Energy: 1.6744511011628058
Energy: 1.732320782360981
Energy: 1.734290093374136
Energy: 1.4991539059680736
Energy: 1.5908610626391653
Energy: 1.2860628487001922
Energy: 1.4593292176144979
Energy: 1.460986237762062
Energy: 1.6821753495818381
Energy: 1.4990927424802134
Energy: 1.3293502716947194
Energy: 1.3293442604311119
Energy: 1.460556002255713
Energy: 1.3301769987861882
Energy: 1.6793895226836784
Energy: 1.3176728785348568
Energy: 1.67411329400755
Energy: 1.3299576464920009
Energy: 1.3307544495543255
Energy: 1.4611320509415993
Energy: 1.7346724816405985
Energy: 1.527800239416644
Energy: 1.46001730854723
Energy: 1.4577505300385487
Energy: 1.5237428580234929
Energy: 1.4578770611526237
Energy: 1.6743493544148422
Energy: 1.5004065809937641
Energy: 1.3120198385776507
Energy: 1.2860195270968116
Energy: 1.2867569022967866
Energy: 1.3111249389140611
Energy: 1.2992202337685865
Energy: 1.5266365418253496
Energy: 1.4586794775191172
Energy: 1.4574762509038535
Energy: 1.3313043872299775
Energy: 1.457653361101277
Energy: 1.6743101867762298
Energy: 1.3178210238404615
Energy: 1.3122724229582103
Energy: 1.3122862122669676
Energy: 1.3126849184994362
Energy: 1.3128868120508086
Energy: 1.725918042168055
Energy: 1.7633002660667967
Energy: 1.4604972456244905
Energy: 1.3142949534077224
Energy: 1.3128725861518333
Energy: 1.315340724150677
Energy: 1.5015609401453134

minimum gb energy = 1.2735250218615113 eV
minimum distance =  2.21196547831492 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.577245351397417
Energy: 1.1155345230291256
Energy: 1.1364602908496724
Energy: 1.2075895213581942
Energy: 1.1361051674557547
Energy: 1.1428078521847382
Energy: 1.1118510622007682
Energy: 1.4200331790352112
Energy: 1.1444398222837537
Energy: 1.2800389104727943
Energy: 1.1452112754087975
Energy: 1.4281458667897713
Energy: 1.4344048065606496
Energy: 1.4263591867561487
Energy: 1.1381708040367557
Energy: 1.1329728742217384
Energy: 1.4111961997579017
Energy: 1.4650042585866818
Energy: 1.7980759490553178
Energy: 1.1351575986665647
Energy: 1.1358102378660875
Energy: 1.1338226619226162
Energy: 1.1364388405697592
Energy: 1.4611561964600808
Energy: 1.2974215732034697
Energy: 1.133961698609808
Energy: 1.1358579804167457
Energy: 1.340198810681324
Energy: 1.1358639220813207
Energy: 1.4711539899794155
Energy: 1.4584233992662328
Energy: 1.480573426971884
Energy: 1.3433316151882273
Energy: 1.3343786217118248
Energy: 1.3309591135594012
Energy: 1.4826377829127784
Energy: 1.3385370182603287
Energy: 1.4840935300312246
Energy: 1.4837811619041141
Energy: 1.4667747960536073
Energy: 1.4826070429369982
Energy: 1.4900594308286097
Energy: 1.8915715181516535
Energy: 1.4634144760838543
Energy: 1.4705004832760042
Energy: 1.3276167039641846
Energy: 1.469852883007295
Energy: 1.4789774195151864
Energy: 1.3379154648180156
Energy: 1.4923112922155408
Energy: 1.4749010235467728
Energy: 1.4678864239534322
Energy: 1.4898732649030777
Energy: 1.493739970746681
Energy: 1.1257009249649625
Energy: 1.51352768819356
Energy: 1.4838697410138744
Energy: 1.4909156331035804
Energy: 1.483784905048091
Energy: 1.5448790355058
Energy: 1.4684275873801156
Energy: 1.4835334724999543
Energy: 1.48708767697262
Energy: 1.4916955896146102
Energy: 1.4867870566169124
Energy: 1.4846770934279345
Energy: 1.4584362404627442
Energy: 1.4862114321234365
Energy: 1.4836402230410055
Energy: 1.5233764471872069
Energy: 1.4847717764801895
Energy: 1.4907233765613874
Energy: 1.2845313934850524
Energy: 1.4797070316641652
Energy: 1.490120563321462
Energy: 1.4938667598778959
Energy: 1.4774278020091036
Energy: 1.4742616366560581
Energy: 1.5787961945394353
Energy: 1.4629946331438053
Energy: 1.4691213127007912
Energy: 1.4890983330234888
Energy: 1.467199897024912
Energy: 1.3332156843583025
Energy: 1.463028532335284
Energy: 1.4831145201080584
Energy: 1.5078898092745947
Energy: 1.4876604382102008
Energy: 1.5057260711371423
Energy: 1.4675471948832588
Energy: 1.120458740632039
Energy: 1.4311874459467242
Energy: 1.4427409646720486
Energy: 1.482273882955443
Energy: 1.4349038703816155
Energy: 1.4278519122907016
Energy: 1.2787494426928214
Energy: 1.1358015679864584
Energy: 1.475168279138953
Energy: 1.4782069115711285
Energy: 1.1354189704932325
Energy: 1.2511936698847472
Energy: 1.283957547158929
Energy: 1.134208437853679
Energy: 1.3313413929161697
Energy: 1.4909567026803268
Energy: 1.3310213791169934
Energy: 1.1336574104221253
Energy: 1.2825675469285398
Energy: 1.137799708897444
Energy: 1.4670444318388725
Energy: 1.4828564613783861
Energy: 1.134473659694458
Energy: 1.138748590848285
Energy: 1.283373171305013
Energy: 1.1353769478046605
Energy: 1.246803840298544
Energy: 1.4882229854830167
Energy: 1.1440873855440687
Energy: 1.1356094920145965
Energy: 1.1302434944177464
Energy: 1.1327112756742574
Energy: 1.1384779735364137
Energy: 1.4858457951607755
Energy: 1.1328618711936782
Energy: 1.131692650085928
Energy: 1.1408820242378601
Energy: 1.2484602744334101
Energy: 1.1336590091725323
Energy: 1.483605891925491
Energy: 1.1367194406240857
Energy: 1.1364025399141708
Energy: 1.1427992400210198
Energy: 1.144360437685107
Energy: 1.4188710558907436
Energy: 1.4830573755866565
Energy: 1.418942709006578
Energy: 1.1430346450658675
Energy: 1.1319419778506663
Energy: 1.132535573746796
Energy: 1.1090095152043162
Energy: 1.4597370686963467
Energy: 1.131686785455364
Energy: 1.1326165957634593
Energy: 1.2802135403189556
Energy: 1.144320576465498
Energy: 1.4235129715953718
Energy: 1.479780111032746
Energy: 1.1445298671168211
Energy: 1.1442050803022865
Energy: 1.2873088224413283
Energy: 1.1363905299671784
Energy: 1.4662792622507879
Energy: 1.4826861726590184
Energy: 1.1336904783462143
Energy: 1.1456087460161515
Energy: 1.2892405116202956
Energy: 1.1361588778648328
Energy: 1.3319374554598125
Energy: 1.4939647553243274
Energy: 1.3293283023404834
Energy: 1.1458800548818928
Energy: 1.2795662348330534
Energy: 1.1356334501409284
Energy: 1.4584745978297338
Energy: 1.4943869604169233
Energy: 1.1353646552211525
Energy: 1.125821655900496
Energy: 1.294975275208406
Energy: 1.336989194324155
Energy: 1.4697857916667612
Energy: 1.5111543429545953
Energy: 1.4438853309068809
Energy: 1.4312651573356814
Energy: 1.676660637734335
Energy: 1.5058364297420135
Energy: 1.5060760082356497
Energy: 1.4874068113142982
Energy: 1.504445401145526
Energy: 1.4809801744500386
Energy: 1.2943079366067796
Energy: 1.4298338952733747
Energy: 1.4818884363172904
Energy: 1.4883460148174301
Energy: 1.4631883275404032
Energy: 1.433781311645317
Energy: 1.285227281112843
Energy: 1.4781647413981693
Energy: 1.4922484959851343
Energy: 1.491366138540572
Energy: 1.4865389726782223
Energy: 1.4734504631661258
Energy: 1.157667855167986
Energy: 1.4837199247656376
Energy: 1.5103478498223943
Energy: 1.4745744918414545
Energy: 1.485273619771471
Energy: 1.4855122719847966
Energy: 1.4337118095741093
Energy: 1.4851815223718368
Energy: 1.4850986516774414
Energy: 1.4792016029872428
Energy: 1.4866807360341368
Energy: 1.4857578024059628
Energy: 1.5797127420209156
Energy: 1.4855557440042808
Energy: 1.485330957243498
Energy: 1.4794577276064902
Energy: 1.4842105899224372
Energy: 1.5447246458301869
Energy: 1.338076420823069
Energy: 1.4912039129389527
Energy: 1.4774703445466546
Energy: 1.4661003132042918
Energy: 1.4841173235449212
Energy: 1.4924784681255723
Energy: 1.5821455336501216
Energy: 1.4636487667046953
Energy: 1.4716230264756052
Energy: 1.3394999653661224
Energy: 1.4405763066213022
Energy: 1.4903974415997734
Energy: 1.3376809851876539
Energy: 1.5038503375522063
Energy: 1.4856837975529282
Energy: 1.1672236567781265
Energy: 1.505631093214512
Energy: 1.4903340292733913
Energy: 1.215945043837378
Energy: 1.4629457364547216
Energy: 1.43341129503225
Energy: 1.4719735572429158
Energy: 1.4316427300200554
Energy: 1.4698924576206363
Energy: 1.1172465338533908
Energy: 1.1360355921887468
Energy: 1.1363511184296178
Energy: 1.2481031479161724
Energy: 1.1351961665388957
Energy: 1.4794255781884322
Energy: 1.480537162360546
Energy: 1.1363243036090926
Energy: 1.13834251403547
Energy: 1.1344856707590403
Energy: 1.1452703702608618
Energy: 1.3310262879151102
Energy: 1.1255358222712608
Energy: 1.1344386617494322
Energy: 1.1359525937892454
Energy: 1.1407278814325965
Energy: 1.1355616778639128
Energy: 1.4676989561312823
Energy: 1.1149262702882128
Energy: 1.2478699952634493
Energy: 1.1439664095982358
Energy: 1.2794804982770582
Energy: 1.2476693659948916
Energy: 1.4238164402674942
Energy: 1.5774950552843217
Energy: 1.1317657072794807
Energy: 1.1325946561566673
Energy: 1.132103550259456
Energy: 1.1323709683331782
Energy: 1.4763333904703497
Energy: 1.4327405298910687
Energy: 1.416038406815458
Energy: 1.144195005365444
Energy: 1.1424533737478115
Energy: 1.2472917732597595
Energy: 1.4286450693921473
Energy: 1.1262961524724313
Energy: 1.409749626942058
Energy: 1.1433067444874847
Energy: 1.1416582324853495
Energy: 1.2493835005829472
Energy: 1.4263390311960087
Energy: 1.1102355160278903
Energy: 1.1323420642612407
Energy: 1.131557336464011
Energy: 1.1308477869759075
Energy: 1.1327349182250515
Energy: 1.4717600684265697

minimum gb energy = 1.1090095152043162 eV
minimum distance =  2.30211786260903 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.30641986391610665
Energy: 0.30664029489814065
Energy: 0.6202911679811339
Energy: 0.6637583653945759
Energy: 0.6198090962448587
Energy: 0.30666096827884887
Energy: 0.308383666267832
Energy: 0.5413474241962001
Energy: 0.5456554114880041
Energy: 0.5477977169733916
Energy: 0.5454592098252407
Energy: 0.5421924073109928
Energy: 1.7700858898230418
Energy: 0.5446774813954612
Energy: 0.548770105449773
Energy: 0.557305549560375
Energy: 0.5424203551318718
Energy: 0.5447026596187796
Energy: 0.31756413665596855
Energy: 0.5556013596865227
Energy: 0.5504627764016533
Energy: 0.6396421391521779
Energy: 0.5443307912708626
Energy: 0.30804536946055106
Energy: 0.3182944576066434
Energy: 0.5546857402641999
Energy: 0.5568429004978812
Energy: 0.5552050359863328
Energy: 0.5569803806271487
Energy: 0.31764237113154736
Energy: 1.810241326488883
Energy: 0.5443490648747237
Energy: 0.5480115610611599
Energy: 0.6479397640591669
Energy: 0.549162356819687
Energy: 0.5440592331388803
Energy: 0.30878470864809515
Energy: 0.542866335236813
Energy: 0.5471415303183595
Energy: 0.5565007925867772
Energy: 0.5468652636225416
Energy: 0.5453331730016638

minimum gb energy = 0.30641986391610665 eV
minimum distance =  2.43710432576466 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.8189389750844995
Energy: 1.1121389953226237
Energy: 1.1164062085835333
Energy: 1.2538834183656364
Energy: 1.120804879505135
Energy: 1.3892563699837355
Energy: 2.5601769945892525
Energy: 1.116582540852293
Energy: 1.112914084541911
Energy: 1.1177499202937773
Energy: 1.113188240851269
Energy: 1.2743759375671109
Energy: 1.609327857916771
Energy: 1.1181170454945315
Energy: 1.113589072497995
Energy: 1.114665409745797
Energy: 1.1147193707447314
Energy: 1.2782979667919374
Energy: 2.1208538300709674
Energy: 1.1169571383985213
Energy: 1.116178201177871
Energy: 1.118014174229041
Energy: 1.1176844092498521
Energy: 1.1995229990002683
Energy: 2.122489689032865
Energy: 1.1190420176343927
Energy: 1.1159497624324939
Energy: 1.261714781540706
Energy: 1.1165587295281425
Energy: 1.1993038562759706
Energy: 1.6271377985502753
Energy: 1.1160465515714675
Energy: 1.1148035688956466
Energy: 1.2593031301664075
Energy: 1.1138407166834925
Energy: 1.4024199728938402
Energy: 2.4455976708479787
Energy: 1.2754177656508623
Energy: 1.1806063730942282
Energy: 1.2622743573947226
Energy: 1.1992949016777719
Energy: 1.2742036348257078
Energy: 2.5603880094071645
Energy: 1.2789562239789118
Energy: 1.402085799158287
Energy: 1.2812336232663748
Energy: 1.276979932424495
Energy: 1.4062090441671637
Energy: 2.0205250232322367
Energy: 1.2741326862474385
Energy: 1.2737139555188142
Energy: 1.260333042723149
Energy: 1.2723851680678457
Energy: 1.2759327892930041
Energy: 1.6242442386252935
Energy: 1.4179996421177021
Energy: 1.276254118006259
Energy: 1.420694449604041
Energy: 1.2788570428918327
Energy: 1.4188898358447979
Energy: 1.633710932240584
Energy: 1.409208470504166
Energy: 1.4121048815435004
Energy: 1.42099516077938
Energy: 1.4107991109727236
Energy: 1.4091288327651856
Energy: 1.7077936148422224
Energy: 1.4095678448356472
Energy: 1.4127094089132362
Energy: 1.4093769627229011
Energy: 1.4105455970926442
Energy: 1.409549348506191
Energy: 1.6065639532698317
Energy: 1.4103076173122961
Energy: 1.4143544395056449
Energy: 1.405411030526799
Energy: 1.4152473875538836
Energy: 1.4341470482558252
Energy: 1.8291229674353338
Energy: 1.415895072188321
Energy: 1.4123157311064647
Energy: 1.4134389571731498
Energy: 1.4355882153252868
Energy: 1.4157759680984923
Energy: 2.139126739069773
Energy: 1.4176877783129649
Energy: 1.4323572465444636
Energy: 1.4093352183141221
Energy: 1.4331804954942526
Energy: 1.4177904727017752
Energy: 1.8208994684151478
Energy: 1.4197035127164843
Energy: 1.419928413150758
Energy: 1.4038382500117237
Energy: 1.4175777523437743
Energy: 1.4211373368868372
Energy: 1.6055005401947051
Energy: 1.3655618744641693
Energy: 1.4161652790798476
Energy: 1.4319589021016277
Energy: 1.4189646708685288
Energy: 1.408291728230909
Energy: 1.6141843581965978
Energy: 1.364383177934017
Energy: 1.4233285768606048
Energy: 1.4251280519722187
Energy: 1.360745652025679
Energy: 1.3650892257564882
Energy: 1.6114522895628973
Energy: 1.4055364471198042
Energy: 1.401645345993273
Energy: 1.410043549042228
Energy: 1.3600722951649653
Energy: 1.3610203371222358
Energy: 1.4417487556022957
Energy: 1.3597240217453117
Energy: 1.4019011216754083
Energy: 1.4094923860915882
Energy: 1.3598825502366687
Energy: 1.3732877402892734
Energy: 1.4555432905831822
Energy: 1.3351669001961404
Energy: 1.3699567196019364
Energy: 1.411313322015894
Energy: 1.3372053903439534
Energy: 1.3338895602430314
Energy: 1.6300363876679234
Energy: 1.3437701855790016
Energy: 1.4173196436250128
Energy: 1.4277286642751008
Energy: 1.3421614220291835
Energy: 1.341779059458388
Energy: 1.3678015255253977
Energy: 1.3419000813126116
Energy: 1.3886009105602715
Energy: 1.4210946264357398
Energy: 1.3375041612836676
Energy: 1.342953737411059
Energy: 1.3347510121674275
Energy: 1.1256973935715058
Energy: 1.4009133465115695
Energy: 1.4210369145654425
Energy: 1.3428757698298666
Energy: 1.18250368112829
Energy: 1.331043193915067
Energy: 1.103321992918999
Energy: 1.1122635197655109
Energy: 1.4175795087996974
Energy: 1.1098577757519243
Energy: 1.1029559573874677
Energy: 1.3340011866163721
Energy: 1.1175384146520084
Energy: 1.1228462561721093
Energy: 1.4152921027389245
Energy: 1.121532449972023
Energy: 1.1188656520057005
Energy: 1.1925102364731675
Energy: 1.1215065592365412
Energy: 1.1132674244841825
Energy: 1.4072620492365453
Energy: 1.1209861892863235
Energy: 1.1197426476579062
Energy: 1.1867429488432557
Energy: 1.1019895265173292
Energy: 1.117237010905654
Energy: 1.4140677733736342
Energy: 1.1089619378892681
Energy: 1.1008921690814846
Energy: 1.195875714773212
Energy: 1.180741837303842
Energy: 1.3998994208670024
Energy: 1.4179656198333463
Energy: 1.2010375140848892
Energy: 1.17760849654352
Energy: 1.1972338345387772
Energy: 1.1896864046867062
Energy: 1.2064870812580786
Energy: 1.410417983155811
Energy: 1.1921018122515186
Energy: 1.193054067586771
Energy: 1.2920827602533864
Energy: 1.202337919550666
Energy: 1.3472613069291752
Energy: 1.422091660065079
Energy: 1.202586877306264
Energy: 1.1994528376194478
Energy: 1.2843355991866923
Energy: 1.1877059309431783
Energy: 1.2184219665066693
Energy: 1.416562359253391
Energy: 1.1882285492002433
Energy: 1.1878685077674351
Energy: 1.2810077024696958
Energy: 1.2173178081400375
Energy: 1.2184147060933341
Energy: 1.4143141911112072
Energy: 1.2165134992672257
Energy: 1.212842662836494
Energy: 1.6046363568335773
Energy: 1.2129898860729478
Energy: 1.2186260826086832
Energy: 1.411514380133271
Energy: 1.2147705431165357
Energy: 1.213472183440626
Energy: 1.6049253646832113
Energy: 1.2121239443577936
Energy: 1.422179051450844
Energy: 1.4648418351512889
Energy: 1.2171411723544092
Energy: 1.2121125014494383
Energy: 1.6061098937045526
Energy: 1.223188899590901
Energy: 1.4099653121956235
Energy: 1.430630929042727
Energy: 1.4105478264493423
Energy: 1.2133090460678846
Energy: 1.594994607846539
Energy: 1.415882272001209
Energy: 1.4105273776492837
Energy: 1.4262747484730391
Energy: 1.4106134454010528
Energy: 1.428553999267368
Energy: 1.919009379561377
Energy: 1.421892399651191
Energy: 1.4158867290049917
Energy: 1.4166358754075927
Energy: 1.4293942973246228
Energy: 1.4139629425416953
Energy: 1.6306871430647414
Energy: 1.4110480392994493
Energy: 1.4193801704886013
Energy: 1.4205011346634433
Energy: 1.4233826484528322
Energy: 1.4095558115849227
Energy: 1.6106427862920192
Energy: 1.4168249052503505
Energy: 1.4175093468390243
Energy: 1.3566164243513699
Energy: 1.4193655292613783
Energy: 1.4180998414032175
Energy: 1.4244971598120366
Energy: 1.415530857867885
Energy: 1.4156298850097806
Energy: 1.4324567297734219
Energy: 1.419240041437103
Energy: 1.4151663274891022
Energy: 1.4246611639122928
Energy: 1.416093951234104
Energy: 1.4166380266163061
Energy: 1.4110711410297447
Energy: 1.4197659311311797
Energy: 1.4158364581107865
Energy: 1.6100951351982808
Energy: 1.421743733692923
Energy: 1.4126165111071256
Energy: 1.409646393160485
Energy: 1.4097717201084325
Energy: 1.4224873992873548
Energy: 2.0203946064250706
Energy: 1.4263052792954236
Energy: 1.4207000316699367
Energy: 1.3452014012724969
Energy: 1.4185698902195374
Energy: 1.4261472314965302
Energy: 2.372202849671643
Energy: 1.4122189418894748
Energy: 1.41077694631491
Energy: 1.421451624300294
Energy: 1.422062416006316
Energy: 1.4279232025677142
Energy: 2.0215947008066277
Energy: 1.4125645451162405
Energy: 1.33049669248835
Energy: 1.4205836938465244
Energy: 1.2817717404886613
Energy: 1.412855613203449
Energy: 1.6172913193879845
Energy: 1.2746718345102284
Energy: 1.2739797069255623
Energy: 1.262560732281191
Energy: 1.274045600984999
Energy: 1.3903779587497436
Energy: 1.854259640062353
Energy: 1.2776368763338528
Energy: 1.2764809776083785
Energy: 1.4192244474272926
Energy: 1.2802182662928967
Energy: 1.3846624682232296
Energy: 1.9159225281504075
Energy: 1.2766791341235255
Energy: 1.1155449347911226
Energy: 1.267922424153888
Energy: 1.2760015412869223
Energy: 1.3405715574852493
Energy: 1.789869338039072
Energy: 1.2779469249857331
Energy: 1.1144155271207796
Energy: 1.2638673764602908
Energy: 1.117033528670629
Energy: 1.2759072175472457
Energy: 2.5634337176732296
Energy: 1.1790870310862782
Energy: 1.11286120304042
Energy: 1.2622014159924688
Energy: 1.112824650142756
Energy: 1.2744834533169385

minimum gb energy = 1.1008921690814846 eV
minimum distance =  2.29013603330573 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.1669116393661545
Energy: 1.2479788748628065
Energy: 1.2674054816058875
Energy: 1.2662286979162645
Energy: 1.2705842944368115
Energy: 1.6283237753154078
Energy: 1.5894173814423849
Energy: 1.257807428291054
Energy: 1.2571151894531574
Energy: 1.2574941687897594
Energy: 1.2605408500005342
Energy: 1.4747607281239916
Energy: 1.7488968775750315
Energy: 1.2591940640345034
Energy: 1.259782894721769
Energy: 1.2600495413739308
Energy: 1.2602959966829053
Energy: 1.4695745358829087
Energy: 1.9412072324947072
Energy: 1.2637109380812677
Energy: 1.2589090373582912
Energy: 1.2707542841276431
Energy: 1.2589142492648027
Energy: 1.3721618881249653
Energy: 2.0850269682137506
Energy: 1.2645391100170045
Energy: 1.261585371134977
Energy: 1.2660331521599557
Energy: 1.2673449610930365
Energy: 1.3728348694821166
Energy: 1.781648934421775
Energy: 1.2628077717873434
Energy: 1.2539381248745733
Energy: 1.26509640794137
Energy: 1.2579782191403366
Energy: 1.4758279095162494
Energy: 2.04691706195296
Energy: 1.476025508424293
Energy: 1.2576929377382053
Energy: 1.263429007958909
Energy: 1.274983134994095
Energy: 1.4744561453451326
Energy: 1.896131216455957
Energy: 1.619007891248776
Energy: 1.4828805140229853
Energy: 1.4210962477378242
Energy: 1.637785237907368
Energy: 1.622906401569867
Energy: 1.7289062193786895
Energy: 1.4743026619717883
Energy: 1.4734846756331454
Energy: 1.5730517264697061
Energy: 1.4738926602412703
Energy: 1.4755369336081703
Energy: 1.781093937165484
Energy: 1.6326217058928356
Energy: 1.478011415722022
Energy: 1.7068460011988085
Energy: 1.4784987058631118
Energy: 1.6296506888653077
Energy: 1.5776275506372652
Energy: 1.5800971882175154
Energy: 1.4753290819631735
Energy: 1.7233084553334228
Energy: 1.6273943438596683
Energy: 1.580767824134293
Energy: 1.784406678104012
Energy: 1.580396642297447
Energy: 1.625992527596
Energy: 1.635528559605266
Energy: 1.626477414331601
Energy: 1.5791060115173525
Energy: 1.7255829319652858
Energy: 1.5823649791647891
Energy: 1.6268095364876136
Energy: 1.37464170436904
Energy: 1.6270929042494682
Energy: 1.5492185698060668
Energy: 1.728842926999877
Energy: 1.5484909127366608
Energy: 1.5816683088880257
Energy: 1.6161492822102308
Energy: 1.5512117745569363
Energy: 1.5483693073681284
Energy: 1.7469402862106789
Energy: 1.5499670615533092
Energy: 1.5503450622276926
Energy: 1.6327461047791536
Energy: 1.5518506457754204
Energy: 1.5510048142482202
Energy: 1.5733158241870058
Energy: 1.5613176485768325
Energy: 1.5553853116601404
Energy: 1.3803582463436441
Energy: 1.5519721964789093
Energy: 1.6211670212947396
Energy: 1.5764243065066867
Energy: 1.2463767380865214
Energy: 1.6118837314124614
Energy: 1.6421922091572076
Energy: 1.5489452346620398
Energy: 1.2682568409147053
Energy: 1.5743301614970449
Energy: 1.2415875094116093
Energy: 1.481424851108028
Energy: 1.613199821120333
Energy: 1.2422259549722587
Energy: 1.2413546138636171
Energy: 1.5735834998146228
Energy: 1.249624028108871
Energy: 1.2503643562081013
Energy: 1.625451696771956
Energy: 1.2367542934151978
Energy: 1.2486449728568092
Energy: 1.3694730667598989
Energy: 1.2492516044479305
Energy: 1.241255513921359
Energy: 1.6106801854293344
Energy: 1.2428601234914967
Energy: 1.2498585360627148
Energy: 1.3711828256214802
Energy: 1.2410788271324915
Energy: 1.2478429821515238
Energy: 1.6241268750589208
Energy: 1.2404304214341775
Energy: 1.2403568133869156
Energy: 1.36878562288761
Energy: 1.2418566001996918
Energy: 1.6140647976445732
Energy: 1.6308791534444032
Energy: 1.372393140865498
Energy: 1.2500857365094165
Energy: 1.3746273837306089
Energy: 1.3734812732336272
Energy: 1.3682963392279344
Energy: 1.570476775678896
Energy: 1.372304157923721
Energy: 1.3726318558430446
Energy: 1.5005620457687083
Energy: 1.3715757846337402
Energy: 1.6158097465616756
Energy: 1.659501541755442
Energy: 1.3720824051534315
Energy: 1.3696019141531688
Energy: 1.5028342732490931
Energy: 1.3637877028253163
Energy: 1.367920698800831
Energy: 1.633818178124548
Energy: 1.3649997257168065
Energy: 1.364287109594477
Energy: 1.5008515092367323
Energy: 1.3679996865961064
Energy: 1.4026387808734293
Energy: 1.6312541309639663
Energy: 1.4029833374918685
Energy: 1.3650574281681047
Energy: 1.7190248785045827
Energy: 1.4024992224690587
Energy: 1.402281302756653
Energy: 1.6352665844263077
Energy: 1.4031370251381008
Energy: 1.4027616296529044
Energy: 1.60440443050073
Energy: 1.3672798352000284
Energy: 1.636881946263965
Energy: 1.672167813512406
Energy: 1.4009642507634834
Energy: 1.3669883568988443
Energy: 1.7311136279918946
Energy: 1.408932416831678
Energy: 1.6265962463409822
Energy: 1.6477928224386278
Energy: 1.627445221476842
Energy: 1.4005716397201717
Energy: 1.5041630718616796
Energy: 1.6322086532689437
Energy: 1.6312165590996202
Energy: 1.2531101494293468
Energy: 1.6298182075968506
Energy: 1.6317900868545243
Energy: 1.6033782317433432
Energy: 1.6280639653584228
Energy: 1.6520152272850614
Energy: 1.6179280231283968
Energy: 1.6280777503840826
Energy: 1.6203496380015312
Energy: 1.7456659363458644
Energy: 1.6274089129697111
Energy: 1.4804435084022713
Energy: 1.4842266543190987
Energy: 1.6515620080543194
Energy: 1.6274900127224277
Energy: 1.7267323612148895
Energy: 1.4779740661287752
Energy: 1.476593215293599
Energy: 1.2662777277545922
Energy: 1.4772176925853788
Energy: 1.6289526848711988
Energy: 1.8794576993595915
Energy: 1.479601829160893
Energy: 1.4796736904185848
Energy: 1.4720696889173126
Energy: 1.4795362000437662
Energy: 1.5525829461814877
Energy: 1.6083380785526022
Energy: 1.4810598089290687
Energy: 1.2610715479385515
Energy: 1.478711519010021
Energy: 1.4737443362351057
Energy: 1.553713211276589
Energy: 1.780115509442698
Energy: 1.4719728894640258
Energy: 1.2570479023655885
Energy: 1.4697984918297946
Energy: 1.2595785277361515
Energy: 1.4747533579982344
Energy: 1.505608194189075
Energy: 1.2632119451417423
Energy: 1.259154221211006
Energy: 1.4712883669867907
Energy: 1.2589225367192503
Energy: 1.4734370263432506
Energy: 1.868001642015754
Energy: 1.264040450129234
Energy: 1.261038799564744
Energy: 1.262573468159926
Energy: 1.265088263837316
Energy: 1.6157177567123118

minimum gb energy = 1.2367542934151978 eV
minimum distance =  2.30759517427821 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.9054459774825643
Energy: 1.346632111903415
Energy: 1.3662319077624359
Energy: 1.364857508719593
Energy: 1.364290857831736
Energy: 1.7905534144935287
Energy: 1.5144307316075356
Energy: 1.3655783541071929
Energy: 1.35779023451254
Energy: 1.363316320164206
Energy: 1.3575321475960698
Energy: 1.628004168840782
Energy: 1.6821319434729225
Energy: 1.358403729967506
Energy: 1.3656713588839244
Energy: 1.3657229176874863
Energy: 1.3655280058961312
Energy: 1.6268883132725764
Energy: 1.8116016873697196
Energy: 1.3613582954744512
Energy: 1.360798315174875
Energy: 1.3660537153540233
Energy: 1.359345436034225
Energy: 1.761292589876157
Energy: 1.4951410163510546
Energy: 1.3692152848456227
Energy: 1.365431006176524
Energy: 1.361432705597987
Energy: 1.359779802483232
Energy: 1.3377224119565214
Energy: 1.674159111621772
Energy: 1.3642074318783282
Energy: 1.3679500470274577
Energy: 1.5578075309772224
Energy: 1.3737969342861467
Energy: 1.8388020396003109
Energy: 1.678006910449092
Energy: 1.6285558876123511
Energy: 1.358586194675256
Energy: 1.3564138719265062
Energy: 1.3574464685860446
Energy: 1.6279089178701307
Energy: 1.47868168695637
Energy: 1.782174546501615
Energy: 1.6311378104788357
Energy: 1.3388010507417412
Energy: 1.794519410279882
Energy: 1.7382734554159234
Energy: 1.677933462296014
Energy: 1.3584458799431458
Energy: 1.6265538837499887
Energy: 1.4855745267101153
Energy: 1.626857126974439
Energy: 1.6031922459379853
Energy: 1.670978451559405
Energy: 1.7063587913239686
Energy: 1.6286892522743233
Energy: 1.337157180242497
Energy: 1.7798046386140018
Energy: 1.7078658994285714
Energy: 1.6700898896806098
Energy: 1.7065388202074194
Energy: 1.7111151006776653
Energy: 1.5878450916048874
Energy: 1.7058529503724533
Energy: 1.7063590539590126
Energy: 1.6710499245400232
Energy: 1.7057095548225905
Energy: 1.7052777003111363
Energy: 1.4962618732520696
Energy: 1.704475811936018
Energy: 1.7043656613092715
Energy: 1.4873037938509885
Energy: 1.3363538271851128
Energy: 1.771619230438194
Energy: 1.7831924386330527
Energy: 1.7062741518191586
Energy: 1.3476628682327139
Energy: 1.4813181272117542
Energy: 1.3398553457235722
Energy: 1.7695044129428794
Energy: 1.7633368377238876
Energy: 1.6262947073201668
Energy: 1.3360417856136952
Energy: 1.4781297136127796
Energy: 1.3392146829624398
Energy: 1.3354931809116453
Energy: 1.3359053701720904
Energy: 1.3349225515332983
Energy: 1.3449907131827745
Energy: 1.4676732274439168
Energy: 1.3391950316824384
Energy: 1.3427110704263163
Energy: 1.3599631062993025
Energy: 1.7472187690430092
Energy: 1.3402504123514192
Energy: 1.4974988045760613
Energy: 1.345841439153064
Energy: 1.339569609484063
Energy: 1.7349249092640648
Energy: 1.3299624152977612
Energy: 1.3458152416797704
Energy: 1.4960318615379613
Energy: 1.3369021048119554
Energy: 1.34512446921317
Energy: 1.728282424370756
Energy: 1.3369487981330528
Energy: 1.3356922440500836
Energy: 1.4896130723934606
Energy: 1.3303774506336288
Energy: 1.4884921652227139
Energy: 1.7761165799023209
Energy: 1.3290941047749334
Energy: 1.336755629210299
Energy: 1.673813571049367
Energy: 1.4958549508168089
Energy: 1.488469893910088
Energy: 1.3462108598409792
Energy: 1.4892873157145272
Energy: 1.4956079810240608
Energy: 1.6704618406179457
Energy: 1.3391793078375782
Energy: 1.327523140893471
Energy: 1.856245798642111
Energy: 1.3306306547287468
Energy: 1.3366075659975845
Energy: 1.6726949040880816
Energy: 1.499934685169746
Energy: 1.6286515856217272
Energy: 1.6174098342833627
Energy: 1.4890682863704958
Energy: 1.4992469961127937
Energy: 1.6909610251998919
Energy: 1.5596103663494845
Energy: 1.7898760605084119
Energy: 1.3472500541919108
Energy: 1.7960066753012336
Energy: 1.5264446127753302
Energy: 1.508560232079759
Energy: 1.6277819481344526
Energy: 1.4922668641655676
Energy: 1.3364469079756034
Energy: 1.6282623995307095
Energy: 1.3297516667204814
Energy: 1.6795034038669414
Energy: 1.6306604161908411
Energy: 1.704939345967203
Energy: 1.3585413476498827
Energy: 1.7837480896594755
Energy: 1.4883023118828977
Energy: 1.6748359053707762
Energy: 1.7957164509136956
Energy: 1.627568263479693
Energy: 1.360963112114025
Energy: 1.6278125758021493
Energy: 1.7789974126706873
Energy: 1.4864318234824554
Energy: 1.62842280315344
Energy: 1.6305780929923261
Energy: 1.6323471729942056
Energy: 1.7025253778637486
Energy: 1.62833078545624
Energy: 1.491874814306727
Energy: 1.6302328537387714
Energy: 1.3584126736162356
Energy: 1.3642791740699955
Energy: 1.6318377146798202
Energy: 1.7722003431661237
Energy: 1.6813235492608927
Energy: 1.6264302047209782
Energy: 1.365476861828138
Energy: 1.3585688521924815
Energy: 1.3599377313166452
Energy: 1.6269288917207327
Energy: 1.680100129404939
Energy: 1.3641527217173293
Energy: 1.3588585743612194
Energy: 1.366104951921956
Energy: 1.366163603113856
Energy: 1.3590315918667053
Energy: 1.4948224915352362
Energy: 1.3641140253345774
Energy: 1.3650446730099257
Energy: 1.3656697853022874
Energy: 1.368312106520169
Energy: 1.3435911413588912

minimum gb energy = 1.327523140893471 eV
minimum distance =  2.30892807154834 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 2.494033753975661
Energy: 1.973420246726585
Energy: 1.4917683059688294
Energy: 1.491433699110079
Energy: 1.4853081744488204
Energy: 1.9720792605563982
Energy: 1.4824623744021619
Energy: 1.4872465716709422
Energy: 1.4849745039333289
Energy: 1.488331950060929
Energy: 1.4838705719941203
Energy: 1.973573540591241
Energy: 1.4831078338829078
Energy: 1.4861100615497758
Energy: 1.4838097730901392
Energy: 1.4827882670543981
Energy: 1.484283029325941
Energy: 1.9946857853171986
Energy: 1.478429917856764
Energy: 1.7548598108759397
Energy: 1.4857040594982864
Energy: 1.4896573809692901
Energy: 1.4853006876650532
Energy: 1.7601793056878214
Energy: 1.478268441542748
Energy: 1.7508585409585806
Energy: 1.4845331918034959
Energy: 1.487839285719849
Energy: 1.75271223914896
Energy: 1.7602456164470055
Energy: 1.4841278226955665
Energy: 1.7508044686824185
Energy: 1.4856694632428913
Energy: 1.485971937234536
Energy: 1.4873602665813053
Energy: 1.9738931781876128
Energy: 1.4901128729218047
Energy: 1.9758281944272231
Energy: 1.7521313460247663
Energy: 1.491024297327041
Energy: 1.7540268277058573
Energy: 1.7884073245086776
Energy: 1.4791311801859282
Energy: 1.9789670628945426
Energy: 1.795934791243818
Energy: 1.484771697344521
Energy: 1.7995016587557615
Energy: 1.755849734852198
Energy: 1.4886945616748497
Energy: 1.797355211493709
Energy: 1.4796970472255346
Energy: 1.4774935239351126
Energy: 1.975613925103
Energy: 1.7979783918066128
Energy: 1.4853485935823794
Energy: 1.7578757614023635
Energy: 1.974580724499101
Energy: 1.476024941975485
Energy: 1.7942423257020326
Energy: 1.4855538238237438
Energy: 1.491105358804818
Energy: 1.4882183494974575
Energy: 1.9939709774695595
Energy: 1.484973049528554
Energy: 1.7511356921318353
Energy: 1.4853936353635246
Energy: 1.4891353493445776
Energy: 1.4846029809820531
Energy: 1.7509694189511071
Energy: 1.4778558129582162
Energy: 1.7506195662694934
Energy: 1.485286613307969
Energy: 1.485373314728065
Energy: 1.48598751064845
Energy: 1.9635281750743472
Energy: 1.9672810727526842
Energy: 1.7563331964106321
Energy: 1.485465668457484
Energy: 1.4832369625214379
Energy: 1.4844683910365968
Energy: 1.9720436307933125
Energy: 1.4849725496215185
Energy: 1.4839474846108627
Energy: 1.484732115356051
Energy: 1.483671883033308
Energy: 1.4850471859892942
Energy: 2.028474673281034
Energy: 1.484026369288449
Energy: 1.4862990174200479
Energy: 1.4844493879122795
Energy: 1.489456480900625
Energy: 1.4857134634421332
Energy: 1.759883964394839
Energy: 1.478615580958779
Energy: 1.7530372281916806
Energy: 1.4855540382195813
Energy: 1.494212442857529
Energy: 1.4912784932917813
Energy: 1.754733726484262
Energy: 1.4846630397959584
Energy: 1.7541100621326304
Energy: 1.4870608290914957
Energy: 1.4934908529978617
Energy: 1.7507760404395776
Energy: 1.993147786539144
Energy: 1.4848082597432242
Energy: 1.7513930735871548
Energy: 1.487083726393214
Energy: 1.484712595468159
Energy: 1.758524203525092
Energy: 1.972572899707503
Energy: 1.7693131623685
Energy: 1.9741094772122594
Energy: 1.4840643442319588
Energy: 1.4838011210950115
Energy: 1.7874523030859815
Energy: 1.754910490524838
Energy: 1.7797195215467168
Energy: 1.974591003368674
Energy: 1.786760458506259
Energy: 1.4844153061490968
Energy: 1.7904132406772115
Energy: 1.7674999689229567
Energy: 1.4847101259164583
Energy: 1.794518266735248
Energy: 1.4761977797722576
Energy: 1.4883423980702128
Energy: 1.9742230413545305
Energy: 1.7527246508924685
Energy: 1.486862399766064
Energy: 1.7551512474355222
Energy: 1.9754258241953873
Energy: 1.4829308285836273
Energy: 1.9725588261778693
Energy: 1.4867879127215493
Energy: 1.484541138546933
Energy: 1.486452395917856
Energy: 2.0118171386750947
Energy: 1.4754060458084421
Energy: 1.756300700679078
Energy: 1.4849441377032309
Energy: 1.4876296726108562
Energy: 1.756052889393474
Energy: 1.95801234702574

minimum gb energy = 1.4754060458084421 eV
minimum distance =  2.31765091427363 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 3.245807561616625
Energy: 2.2968741032028217
Energy: 1.6695360345984565
Energy: 1.9058398080003711
Energy: 1.6773748535043305
Energy: 2.297003383506553
Energy: 1.6508857744332093
Energy: 1.6580525054548676
Energy: 1.6681059904575715
Energy: 1.6679460171218896
Energy: 1.6674286949713308
Energy: 1.657906126849158
Energy: 1.6796759081861525
Energy: 1.8139508002938463
Energy: 1.6589440514774811
Energy: 1.6616672992848378
Energy: 1.658207024978422
Energy: 2.0178153744745124
Energy: 1.6724914404669815
Energy: 1.6587996382810126
Energy: 1.6671979192068467
Energy: 1.6635249360742679
Energy: 1.6577426266510247
Energy: 1.8081557029828872
Energy: 1.6664052123323423
Energy: 1.8197478840627075
Energy: 1.6645903132477469
Energy: 1.682802715671688
Energy: 1.6602046703336386
Energy: 1.8160522524296594
Energy: 1.6787936991518162
Energy: 1.8145228082803344
Energy: 2.017543594391412
Energy: 1.6504148244785912
Energy: 2.0345171711158483
Energy: 1.6805500426749598
Energy: 1.709181144632468
Energy: 1.81572527092051
Energy: 2.0173161203388084
Energy: 1.7043470844942377
Energy: 1.8087565043240754
Energy: 1.664004287648074
Energy: 1.6847127521449121
Energy: 2.017748438287342
Energy: 2.0251319932081784
Energy: 1.6826557856658926
Energy: 2.0346826498111152
Energy: 1.6578717869720772
Energy: 1.6842879465693021
Energy: 2.0178258395827866
Energy: 1.8024162801904862
Energy: 1.650211109048744
Energy: 1.657519363495205
Energy: 1.6823397214685474
Energy: 1.6654717221903403
Energy: 1.659093201010669
Energy: 1.8146422290462487
Energy: 1.6486580647774411
Energy: 1.6599999943953883
Energy: 1.660065998752552
Energy: 1.6553627534164146
Energy: 1.657324875014278
Energy: 2.3061303127405295
Energy: 1.680634511919941
Energy: 1.656869946596917
Energy: 1.6572792610017844
Energy: 1.6661426780819728
Energy: 1.6578494233477103
Energy: 1.8192430823147099
Energy: 1.6680776485223587
Energy: 1.6603642032045764
Energy: 1.6619907361745467
Energy: 1.7031056706614993
Energy: 2.03707274767877
Energy: 1.8088782087244992
Energy: 1.6387207655646951
Energy: 1.6581081461035916
Energy: 1.7141560948326344
Energy: 1.6480012859911242
Energy: 2.035569342281078
Energy: 1.8151419510528437
Energy: 1.6814852718553048
Energy: 2.0346587502724183
Energy: 1.6482818766011484
Energy: 1.6827787451534229
Energy: 1.6633526965293988
Energy: 1.6576839154173832
Energy: 1.6890560633898482
Energy: 1.8081578730925518
Energy: 1.6588441693818397
Energy: 1.678471130653678
Energy: 1.81507921236364
Energy: 2.0196642358464887
Energy: 2.0180759255168397
Energy: 2.035002530098495
Energy: 1.680755727178489
Energy: 1.649535602528409
Energy: 1.8085277328246185
Energy: 2.0374316717334953
Energy: 1.7139968399202288
Energy: 1.6597000157153483
Energy: 1.6496824175165348

minimum gb energy = 1.6387207655646951 eV
minimum distance =  2.30212780653603 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 3.820704433232152
Energy: 1.6701977369069576
Energy: 1.6846991908257583
Energy: 1.9682548088873186
Energy: 1.6966182000163312
Energy: 1.6443267594116533
Energy: 1.7506281622410618
Energy: 1.6904317148166532
Energy: 1.6837278822323478
Energy: 1.6887870068143866
Energy: 1.6845650268144816
Energy: 1.9539911012242037
Energy: 1.6959539364452592
Energy: 1.9239800484876746
Energy: 1.6839977093389793
Energy: 1.689437755306141
Energy: 1.685264902525123
Energy: 1.624917856399688
Energy: 1.9606425987570328
Energy: 1.7717178002145255
Energy: 1.697906561087333
Energy: 1.700214852559094
Energy: 1.7090927979496873
Energy: 1.9204005672313371
Energy: 2.0014279238972694
Energy: 1.9209709815330949
Energy: 1.927436412445952
Energy: 1.708522132696144
Energy: 1.9207824282292976
Energy: 1.9222582000690092
Energy: 1.6873237636000924
Energy: 1.6955451717865029
Energy: 1.6209038851037427
Energy: 1.6171293072166875
Energy: 1.7551170913155891
Energy: 1.7031427057594064
Energy: 1.699692856724133
Energy: 1.68800339918948
Energy: 1.9274488714763018
Energy: 1.6901789617546867
Energy: 1.6981731364291983
Energy: 1.6874593704433931
Energy: 1.6992957769466213
Energy: 1.68068866055195
Energy: 1.7037372299001712
Energy: 1.6894871780261533
Energy: 1.681873300955642
Energy: 1.6806752877569529
Energy: 1.6825094393358109
Energy: 1.693911710417844
Energy: 1.6318057978067688
Energy: 1.684140222319513
Energy: 1.6993010308326124
Energy: 1.6871157605334801
Energy: 2.0329214633685435
Energy: 1.6885031360316758
Energy: 1.6911785988892702
Energy: 1.9826440248270243
Energy: 1.6917544943742573
Energy: 1.6884829346432815
Energy: 2.041069381478189
Energy: 1.6830244236765
Energy: 1.6270593945212937
Energy: 1.6863960223777854
Energy: 1.993170738459368
Energy: 1.6827056734875385
Energy: 2.0507675780560914
Energy: 1.7008108166139841
Energy: 1.6239970052221204
Energy: 1.656680697505343
Energy: 1.9131700521156392
Energy: 1.6846610657526642
Energy: 1.8257463085703813
Energy: 1.6301541523228487
Energy: 1.6199600722169185
Energy: 1.622846952269625
Energy: 1.6184166084580027
Energy: 1.684532354108857
Energy: 1.6113636462655512
Energy: 1.6365329755053852
Energy: 1.6287618997194562
Energy: 1.6253308019011683
Energy: 1.636547421221673
Energy: 1.6191561691060958
Energy: 2.093615984429462
Energy: 1.6351408361807038
Energy: 1.624863880013426
Energy: 1.6218371379534786
Energy: 1.6245514831047916
Energy: 2.1495303033200757
Energy: 1.8056448292258993
Energy: 1.6217903543239431
Energy: 1.6144568065389682
Energy: 1.6237645699698247
Energy: 1.6153508341353107
Energy: 1.675399889562815
Energy: 1.9825752926059654
Energy: 1.6238866738244981
Energy: 1.6207674190302528
Energy: 1.6216222346545957
Energy: 1.6273068701550102
Energy: 1.9159339072509747
Energy: 2.0035611067128203
Energy: 1.9258383259851457
Energy: 1.6312097749421308
Energy: 1.70225220692015
Energy: 1.6347268918028441
Energy: 1.915613015176056
Energy: 1.8211567740347592
Energy: 1.9733391932918953
Energy: 1.6176139344002975
Energy: 1.61141695603143
Energy: 1.6179633919821341
Energy: 1.685720480691179
Energy: 2.0316881643768276
Energy: 1.689605092837572
Energy: 1.6344412622324518
Energy: 1.9767974956173537
Energy: 1.973122697712924
Energy: 1.6914041484653526
Energy: 2.0239095209900624
Energy: 1.6804138604998746
Energy: 2.133809464389398
Energy: 1.6987587965187232
Energy: 1.6909112642713202
Energy: 1.680276649988797
Energy: 1.741686354498852
Energy: 1.6976001465818717
Energy: 1.6316240601015533
Energy: 1.7550446136741933
Energy: 1.6999868492491186
Energy: 1.6823134484950217
Energy: 1.6829685879038987
Energy: 1.6900164859099278
Energy: 1.69614367118548
Energy: 1.6136218867463197
Energy: 1.6914595255551608
Energy: 1.6899468210977777
Energy: 1.680425943779113
Energy: 1.6815823046498282
Energy: 1.7579888447221925
Energy: 1.7077860523995727
Energy: 1.6994827996643926
Energy: 1.6807167464393609
Energy: 1.6856058510095613
Energy: 1.688690119831319
Energy: 1.9260655107838531
Energy: 1.6267773433172013
Energy: 1.9202962640747776
Energy: 1.68454386509539
Energy: 1.6959055964816132
Energy: 2.0237592818860053
Energy: 1.7657400234333513
Energy: 1.6163248718474843
Energy: 1.7611181458084137
Energy: 1.7149732344986428
Energy: 1.6227822364743565
Energy: 1.765005216407097
Energy: 1.714888818077519
Energy: 1.71342109760979
Energy: 2.0234453745359877
Energy: 1.6226021734712515
Energy: 1.6175835279238422
Energy: 1.7734365829228738
Energy: 1.7030695207767397
Energy: 1.7221306160782
Energy: 1.7023480857094953
Energy: 1.928423055100156
Energy: 1.690517423725715
Energy: 1.7082140177950333
Energy: 1.682914064832309
Energy: 1.7059441509477338
Energy: 1.6813943050369582
Energy: 1.6304860041039022
Energy: 1.782756327783837
Energy: 1.6924123747749968
Energy: 1.6916105267447588
Energy: 1.6919608671657709
Energy: 1.6882935644021404
Energy: 1.910683249649658
Energy: 1.9787571082049829
Energy: 1.6983452621524449
Energy: 1.6910161619755568
Energy: 1.827938091544169
Energy: 1.6891965315374522
Energy: 1.9193323251933765
Energy: 1.6980858382651278
Energy: 1.6883126481243014
Energy: 1.6799444536661587
Energy: 1.6814002482379489
Energy: 1.6798167991093391
Energy: 1.6294481908467466
Energy: 1.977330170531636
Energy: 1.6375765086442005
Energy: 1.6900994754481433
Energy: 2.041010200760282
Energy: 1.698528651728264
Energy: 1.6340370562888396
Energy: 1.9665612410119078
Energy: 1.6170573261542807
Energy: 1.9726540035756506
Energy: 1.8211075537999653
Energy: 1.919435820575667
Energy: 1.6153696481167008
Energy: 1.7024679386905543
Energy: 1.6306979975657516
Energy: 2.1356168746101907
Energy: 1.6167575728291774
Energy: 1.6383759690451136
Energy: 1.6351747425813408
Energy: 1.6165876693700154
Energy: 1.6343216488064776
Energy: 1.9251629745284353
Energy: 1.6432383046402654
Energy: 1.6287597901334177
Energy: 1.6203525956697646
Energy: 1.6211033197716034
Energy: 1.6149949872516343
Energy: 1.6302825702808839
Energy: 1.796636544124838
Energy: 1.6148165613032697
Energy: 1.6147254520923366
Energy: 1.6341292971010246
Energy: 1.630528874136379
Energy: 1.924060874549947
Energy: 2.05528230472045
Energy: 1.6270157423418588
Energy: 1.6258211174674262
Energy: 1.634092628379255
Energy: 1.6606290814905649
Energy: 1.7692990778981734
Energy: 1.9210118599540669
Energy: 1.6282383818611719
Energy: 1.6518163697986552
Energy: 2.297330034453824
Energy: 1.626780136864623
Energy: 1.6168038722825044
Energy: 1.8074278951101843
Energy: 1.6271454846926106
Energy: 1.6191936913338412
Energy: 1.9733117758440664
Energy: 1.623038790316538
Energy: 1.7031115064090925
Energy: 2.029840323426922
Energy: 1.974660412006158
Energy: 1.6269292550901602
Energy: 1.6847316487618675
Energy: 1.9763542480484737
Energy: 1.6993868273420234
Energy: 1.6829181638556736
Energy: 1.6817166340034764
Energy: 1.6207257053852135
Energy: 2.0891308997955433
Energy: 1.6958186221199545
Energy: 1.6892009358176092
Energy: 2.031867493718947
Energy: 1.689313224284238
Energy: 1.6303019257905278

minimum gb energy = 1.6113636462655512 eV
minimum distance =  2.30802828086068 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.8134691219644616
Energy: 1.5771091567710354
Energy: 1.6925764706020643
Energy: 1.6896072450196076
Energy: 1.6892573319706286
Energy: 1.5972471044260248
Energy: 1.8221452091557078
Energy: 1.6766385839702043
Energy: 1.674082180345332
Energy: 1.6803124417286837
Energy: 1.6750771226478482
Energy: 1.6691458682152136
Energy: 1.7005827996180862
Energy: 1.6769684055952145
Energy: 1.6748448437388808
Energy: 1.6793793366187169
Energy: 1.674813536091799
Energy: 1.6779758409614978
Energy: 2.2335296720505204
Energy: 1.6795823463801087
Energy: 1.67860266175582
Energy: 1.6805728539654667
Energy: 1.690278967931771
Energy: 1.9792296328603916
Energy: 1.6975423739555897
Energy: 1.9732377904133471
Energy: 1.9690538720807076
Energy: 1.5683615582335073
Energy: 1.6689248183876795
Energy: 1.975968061317621
Energy: 1.6890855531915105
Energy: 1.6937237690464724
Energy: 1.5652813995093406
Energy: 1.5714718967545678
Energy: 1.6812920978381447
Energy: 1.6944393226506596
Energy: 1.6809495515742614
Energy: 1.677044491542019
Energy: 1.6749608338439712
Energy: 1.7029326372555198
Energy: 1.6770121734289516
Energy: 1.6773355925474747
Energy: 1.6738988071363419
Energy: 1.6738051750767913
Energy: 1.674432163170007
Energy: 1.695818462060874
Energy: 1.6749147991436903
Energy: 1.6730507175076528
Energy: 1.6845529631583687
Energy: 1.6829998073447816
Energy: 1.9772890517928976
Energy: 1.6743960842465258
Energy: 1.6813787361878372
Energy: 1.6827184918688125
Energy: 1.7186747142134138
Energy: 1.6774839121419285
Energy: 1.6765831910357678
Energy: 1.6940137607614494
Energy: 1.6740643657935506
Energy: 1.6777051532634482
Energy: 1.7749028857164026
Energy: 1.673405482485756
Energy: 1.6820732589863738
Energy: 1.6976430387637123
Energy: 1.9194929751261567
Energy: 1.6743725311618711
Energy: 1.7314605861756929
Energy: 1.6781679090206851
Energy: 1.6749819722499706
Energy: 1.6813684719892943
Energy: 1.6760741831344628
Energy: 1.688125072188103
Energy: 1.69257011383622
Energy: 1.6734798168015455
Energy: 1.6747449851518972
Energy: 1.6783925657226324
Energy: 1.6740015201057914
Energy: 1.6805679206709738
Energy: 1.5666825581029191
Energy: 1.6755416489216586
Energy: 1.7128557797453434
Energy: 1.7193894574634243
Energy: 1.6831035865823325
Energy: 1.5666245410524182
Energy: 1.814673896415477
Energy: 1.6881990007197976
Energy: 1.6750112781395867
Energy: 1.684040757954956
Energy: 1.675603929713587
Energy: 1.676657998397043
Energy: 1.7004559554135241
Energy: 1.6753299297362705
Energy: 1.6738374725299807
Energy: 1.6752190736303403
Energy: 1.6742346815769593
Energy: 1.6991342184240177
Energy: 2.2335299025923914
Energy: 1.6787731286087846
Energy: 1.6763049430365784
Energy: 1.6969762291840846
Energy: 1.6857332942737735
Energy: 1.9776376238532558
Energy: 1.7172460255676008
Energy: 1.9740657479227641
Energy: 1.97035614360917
Energy: 1.7235805987296242
Energy: 1.670630225689079
Energy: 1.976802666138068
Energy: 1.6923533526292114
Energy: 1.6925435578558634
Energy: 1.5657956418330983
Energy: 1.5647257213774608
Energy: 1.6840670344090252
Energy: 1.6810756959481783
Energy: 1.699016369792846
Energy: 1.6785445699084232
Energy: 1.6710033520690748
Energy: 1.7229893982410212
Energy: 1.6786109713775976
Energy: 1.6791311367873294
Energy: 1.6729623542055057
Energy: 1.6734533553550024
Energy: 1.6739396949075858
Energy: 1.6972891745573868
Energy: 1.675997232406321
Energy: 1.6724669953441338
Energy: 1.6820704901137848
Energy: 1.682112006752255
Energy: 1.975571912724979
Energy: 1.6714564201259872
Energy: 1.6805159706851294
Energy: 1.682239383335085
Energy: 1.718149593270587
Energy: 1.6778899278333863
Energy: 1.6752419992825682
Energy: 1.700011407722399
Energy: 1.6741701295878946
Energy: 1.676996562971658
Energy: 1.8132197077941268
Energy: 1.6731112884528387
Energy: 1.8930888139214084
Energy: 1.6986905050180146
Energy: 1.9160951393333359
Energy: 1.6732798937735127
Energy: 1.7303525836401594
Energy: 1.679180603966999
Energy: 1.675321819815322
Energy: 1.7174818003282324
Energy: 1.677606027819294
Energy: 1.687343040616085
Energy: 1.70641044335251
Energy: 1.6733409820353726
Energy: 1.67416726344645
Energy: 1.6773646575028311
Energy: 1.6726689931795022
Energy: 1.6930200095793442
Energy: 1.56852133488137
Energy: 1.6753056959241124
Energy: 1.7134395972468073
Energy: 1.7170256921553433
Energy: 1.675996725278123
Energy: 1.5655802250297979

minimum gb energy = 1.5647257213774608 eV
minimum distance =  2.33970325729052 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 3.5367663425388987
Energy: 1.7648545520505736
Energy: 1.7757669768431985
Energy: 1.7702235182717718
Energy: 1.769932764294511
Energy: 2.3191989095115457
Energy: 1.8449443286239908
Energy: 1.7692754677326565
Energy: 1.7693161469518073
Energy: 1.7774269310994175
Energy: 1.7698155779561586
Energy: 1.76853895277021
Energy: 1.9208393132324133
Energy: 1.8482550241206688
Energy: 1.773528176677157
Energy: 1.775013816010303
Energy: 1.7752921340258832
Energy: 1.7687763523371196
Energy: 1.8450040944918569
Energy: 2.03359767594973
Energy: 1.7720182760904388
Energy: 1.771776714150503
Energy: 1.7748239784712285
Energy: 2.0367113450618524
Energy: 1.9422531363302216
Energy: 2.0338944988674377
Energy: 2.0318704877305955
Energy: 1.8622026069644109
Energy: 2.031568810208978
Energy: 1.6955320627825472
Energy: 1.6974932422283944
Energy: 1.7066525299103308
Energy: 2.2919053944834658
Energy: 1.7043072102428622
Energy: 2.050591801857163
Energy: 1.6962457145814325
Energy: 1.7009449418593707
Energy: 1.6991232340961129
Energy: 2.041104165502492
Energy: 1.7883597197956198
Energy: 1.6962264609422977
Energy: 1.700683953006017
Energy: 1.7086424075886213
Energy: 1.6970341782815177
Energy: 2.0371456557451544
Energy: 1.7739504430085276
Energy: 1.6949820904686173
Energy: 1.6969412708075147
Energy: 1.6975285969790554
Energy: 1.7055092802067626
Energy: 2.0383944813805503
Energy: 1.6904615420762201
Energy: 2.0350727849220984
Energy: 1.6961658759279592
Energy: 1.9027687464049008
Energy: 2.029867284518631
Energy: 2.0379654766114292
Energy: 1.9610916522699813
Energy: 2.0374097149768993
Energy: 1.6990251992497212
Energy: 1.843089660106217
Energy: 2.0343998876670635
Energy: 1.7692566663757088
Energy: 1.771335129969314
Energy: 1.781000753543815
Energy: 1.6916120985750738
Energy: 1.9174010114822084
Energy: 1.8488863726475735
Energy: 1.786338165021379
Energy: 1.7772733049697045
Energy: 1.7708218197762018
Energy: 1.7072467166164826
Energy: 1.696345991556845
Energy: 1.768551944152253
Energy: 1.7756844448667901
Energy: 1.782499963590829
Energy: 1.769430831355465
Energy: 2.090514560164315
Energy: 2.1907147719668045
Energy: 1.7717604814164196
Energy: 1.772442756986263
Energy: 1.768874489869075
Energy: 1.772026553209642
Energy: 2.0284242056108526
Energy: 1.77520765571666
Energy: 1.7684434337151178
Energy: 1.7826845247202214
Energy: 1.7818590518790898
Energy: 1.7704832985331918
Energy: 1.7669352757496608
Energy: 1.920589566407231
Energy: 2.016095658888276
Energy: 1.7684246914452153
Energy: 1.784819526030674
Energy: 1.7682649324837691
Energy: 1.771718967336243
Energy: 2.187177855834646
Energy: 1.7691709187868245
Energy: 1.7715013712335306
Energy: 1.921608821070807
Energy: 2.026570536164461
Energy: 1.771013636490162
Energy: 1.9251614611525
Energy: 1.7697553802903858
Energy: 1.7746124342840452
Energy: 1.8365054774626124
Energy: 1.7700314092408878
Energy: 1.7722130922931656
Energy: 1.769580126028632
Energy: 1.7700716409207966
Energy: 1.7650932703367719
Energy: 2.318624147761258
Energy: 1.7689246156413172
Energy: 1.7710148241045967
Energy: 1.788274006114129
Energy: 1.7694801272570029
Energy: 1.7695472491051625
Energy: 1.7022155499416396
Energy: 1.7695789775645816
Energy: 1.769842459223647
Energy: 1.7736863546184631
Energy: 1.776134044562487
Energy: 1.699507154403423
Energy: 1.920850531912797
Energy: 1.7748980825748328
Energy: 1.773417198295365
Energy: 1.7708225743061168
Energy: 1.7825631147175993
Energy: 2.0327900138553043
Energy: 1.6952705164241586
Energy: 2.031861487054107
Energy: 1.7686617073534414
Energy: 1.8642760428568137
Energy: 2.0320341417027095
Energy: 2.0393089647634746
Energy: 1.788157459864251
Energy: 2.037108824859448
Energy: 1.8564731773538312
Energy: 2.593152057350097
Energy: 2.0354555627504767
Energy: 1.6972939507587979
Energy: 1.6967558095618476
Energy: 1.7060645234284801
Energy: 2.291429686685686
Energy: 1.7863500085757993
Energy: 1.6983664362760929
Energy: 1.7019087350004027
Energy: 1.7129378235971104
Energy: 1.6973752259871921
Energy: 1.853980694847484
Energy: 1.7730515540173317
Energy: 1.6952262628738557
Energy: 1.6972081877984753
Energy: 1.710644152756512
Energy: 1.6967721572297905
Energy: 1.8373978757710783
Energy: 2.1807866351207066
Energy: 2.0351333416343382
Energy: 1.6974428512343633
Energy: 1.6976114959407378
Energy: 1.7040503819846176
Energy: 1.6909151393747424
Energy: 1.8474782618345984
Energy: 2.0382405943951656
Energy: 2.0406716677082755
Energy: 1.9080320669852109
Energy: 2.034064190517156
Energy: 1.8527260345568108
Energy: 1.7713103453868955
Energy: 1.769787559416822
Energy: 2.031113056320325
Energy: 1.6920250285626903
Energy: 2.037228899142347
Energy: 1.77055575918967
Energy: 1.7776955980638207
Energy: 1.7705742072272352
Energy: 1.698617589004541
Energy: 1.9062186020853535
Energy: 1.7760473045705387
Energy: 1.7861315764181231
Energy: 1.77143072764614
Energy: 1.7688521772321302
Energy: 1.7675182707173942
Energy: 1.7708763393117188
Energy: 1.7690456804854557
Energy: 1.7759251341830313
Energy: 1.7692427009319445
Energy: 1.769188592981948
Energy: 2.0278141576882374
Energy: 1.7072579161551658
Energy: 1.7921994535449446
Energy: 1.772271877211268
Energy: 1.9252230360227276
Energy: 1.7753283755669769
Energy: 1.7688612439795148
Energy: 1.779615302661127
Energy: 1.768945429529164
Energy: 1.7825786269716033
Energy: 1.8464381653739956
Energy: 1.767625534452249
Energy: 1.7792717671591822
Energy: 1.9213238980987837
Energy: 2.026852761491105
Energy: 1.7837909446049387
Energy: 1.9213293377990774
Energy: 1.7796779678656138
Energy: 1.7686887884641826
Energy: 1.771844137634446
Energy: 1.7695638074102438
Energy: 1.7699885544492044
Energy: 1.8507153737703268
Energy: 1.769428518750389
Energy: 1.7700066781272978
Energy: 1.7728139072675382
Energy: 1.7694143740204409
Energy: 2.00364111046963

minimum gb energy = 1.6904615420762201 eV
minimum distance =  2.278933940582 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.7786858153231009
Energy: 1.778870096929753
Energy: 1.8325929572439603
Energy: 1.8346117726112647
Energy: 2.218336727079371
Energy: 1.779231224008649
Energy: 1.793222400424666
Energy: 1.986716894848592
Energy: 1.8282856554155977
Energy: 1.8385622972020574
Energy: 1.8284631116655186
Energy: 1.9871657845754944
Energy: 1.9870354809035353
Energy: 1.9859139481749073
Energy: 1.8340508856781976
Energy: 1.8340174275581702
Energy: 1.8306221928161037
Energy: 1.9852470813257603
Energy: 1.9869139981445643
Energy: 1.9861184680304582
Energy: 1.8294052891573833
Energy: 1.8301259066121438
Energy: 1.9861514012372041
Energy: 1.9861023361399561
Energy: 1.9866406436459598
Energy: 1.985211330869455
Energy: 1.9855841013856057
Energy: 1.7937482609254154
Energy: 1.9889359538440643
Energy: 1.9861245851797114
Energy: 1.8300773268838164
Energy: 1.8320452006747272
Energy: 1.7932991162694067
Energy: 1.7822610621198856
Energy: 1.9871200886575728
Energy: 1.8293801915062988
Energy: 1.8324966799459317
Energy: 1.8288354606972606
Energy: 1.987016239895387
Energy: 1.831338560407135
Energy: 1.9871155479733846
Energy: 1.8303645941456517
Energy: 1.8286620305369135
Energy: 1.8291204857967622
Energy: 1.9858116399732544
Energy: 1.986316547892513
Energy: 1.9873654683057067
Energy: 1.828976256331669
Energy: 1.8304243462525447
Energy: 1.8295423663699237
Energy: 1.9865420796316353
Energy: 1.986887004709409
Energy: 1.9867283049628781
Energy: 1.8327041123058012
Energy: 1.7937182745615168
Energy: 1.985287552905193
Energy: 1.9854122497844613
Energy: 1.9862655320952178
Energy: 1.986192745081527
Energy: 1.9866201604809839

minimum gb energy = 1.7786858153231009 eV
minimum distance =  2.29134838597012 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.9154746273026164
Energy: 1.701913389967089
Energy: 1.65914848801739
Energy: 1.6565031184186578
Energy: 1.6575912384916904
Energy: 1.646616382730383
Energy: 1.6607686221547924
Energy: 1.8335820923126762
Energy: 1.9966219724636314
Energy: 1.9713966805813243
Energy: 1.8283732598153706
Energy: 1.9090812810613025
Energy: 1.9671425372149918
Energy: 1.8060160741254043
Energy: 2.0016967090924234
Energy: 1.977894017545147
Energy: 1.6556619742554342
Energy: 1.965879453022987
Energy: 1.9638316449030222
Energy: 2.003378467950149
Energy: 1.6677060671027941
Energy: 1.8120639967420749
Energy: 1.8078037374259734
Energy: 2.0001867367036015
Energy: 1.9666485196730867
Energy: 2.010036354946835
Energy: 1.6642912408622184
Energy: 1.6605674506999109
Energy: 1.8434825225947504
Energy: 1.9603655625775258
Energy: 1.679061497301207
Energy: 1.752975259429702
Energy: 1.7895008031315893
Energy: 1.6562057271218835
Energy: 1.9630002694507411
Energy: 1.680914869128456
Energy: 2.115535408318195
Energy: 2.0030766582777453
Energy: 2.20646476159857
Energy: 1.656116590730474
Energy: 1.658093145578496
Energy: 1.9622201069270746
Energy: 2.217186459169688
Energy: 2.00524529021351
Energy: 1.6625508891503469
Energy: 1.6607524650351748
Energy: 1.6606135780890146
Energy: 2.0025420751884986
Energy: 1.6573892478435417
Energy: 1.6716039332718093
Energy: 1.6534809611270964
Energy: 1.6562783487202124
Energy: 1.6541127748245839
Energy: 1.9499289135395148
Energy: 1.6566316652068975
Energy: 1.660433349279355
Energy: 1.6554075834385644
Energy: 1.6601305799021802
Energy: 1.6609979154047838
Energy: 1.7899520718210398
Energy: 2.194620901680095
Energy: 1.9300609148427796
Energy: 1.6652717463804112
Energy: 1.6600270124166967
Energy: 1.930979810657526
Energy: 1.817243782779004
Energy: 1.648115203544354
Energy: 1.7911784949987677
Energy: 1.660262048445846
Energy: 1.8249753946331182
Energy: 2.093241757295789
Energy: 1.8785155840794625
Energy: 1.804273125956538
Energy: 1.7928920949656035
Energy: 1.6544057926961062
Energy: 1.8243782197701353
Energy: 1.8191046430480484
Energy: 1.7903762950938074
Energy: 1.7944069178740598
Energy: 1.8121621381844524
Energy: 1.8538332883061563
Energy: 1.66683036826032
Energy: 1.8089886791722412
Energy: 1.8066318988468246
Energy: 1.796800533307633
Energy: 1.6436164564065712
Energy: 1.649028039674252
Energy: 1.6527066338830227
Energy: 1.9045233146483735
Energy: 1.8140821112511047
Energy: 1.6458202891782467
Energy: 1.8045035887721408
Energy: 1.6470896282353529
Energy: 1.6489684066188344
Energy: 1.647126444374937
Energy: 1.7930429932500251
Energy: 2.1824434967872466
Energy: 1.7892052306253994
Energy: 1.6485301515222748
Energy: 1.7067765193434508
Energy: 1.6495176864575614
Energy: 1.6394234897716304
Energy: 1.6441773257673615
Energy: 1.863318140280387
Energy: 1.6497471253609806
Energy: 1.6658849549176007
Energy: 1.6513630074379613
Energy: 1.6393389544068633
Energy: 1.661328665145036
Energy: 1.8747971680764939
Energy: 1.6459328580797237
Energy: 1.651126515602487
Energy: 1.6455770217395886
Energy: 2.0882176478401027
Energy: 2.0984343847609743
Energy: 1.9849735685327186
Energy: 1.6502384562075454
Energy: 1.6647691968067277
Energy: 1.8644049905546523
Energy: 2.145932970796766
Energy: 2.0932987054554135
Energy: 2.1522364729330943
Energy: 1.6487962532925917
Energy: 1.7485131348006655
Energy: 2.15207202791119
Energy: 2.0889670411313856
Energy: 1.6618164302840495
Energy: 2.087054946319138
Energy: 1.9147301706360689
Energy: 1.6424115358105154
Energy: 2.0869314016728224
Energy: 2.0869604046975447
Energy: 2.0100648256549767
Energy: 2.086357975457629
Energy: 1.8182078288807901
Energy: 1.6610907308789842
Energy: 1.97511525224264
Energy: 2.086598251188065
Energy: 2.217089598894041
Energy: 2.1496820602141584
Energy: 1.6557695447125316
Energy: 1.6609928485814551
Energy: 1.6631881165233735
Energy: 2.150689992162535
Energy: 2.0154556129984367
Energy: 1.6683880141555594
Energy: 1.6547706293179159
Energy: 1.6513295311657161
Energy: 1.656510813044349
Energy: 2.0842260521176
Energy: 1.7728336321664953
Energy: 1.6666620532354415
Energy: 1.6544454908502113
Energy: 1.653586431000526
Energy: 1.6608926251180756
Energy: 1.8091682473188109
Energy: 2.1952305270577592
Energy: 1.9150157945999402
Energy: 1.6558021035832553
Energy: 1.6552763485824058
Energy: 1.6692945720477683
Energy: 1.8168190834360043
Energy: 1.7927025302949018
Energy: 1.668795140711577
Energy: 1.6605344001079452
Energy: 1.7286306849461393
Energy: 1.924779523882273
Energy: 1.671694309086468
Energy: 1.6820807823446002
Energy: 1.6713715325082754
Energy: 1.6525039622565194
Energy: 1.6558221257611707
Energy: 1.8120638864656677
Energy: 1.6810636710741167
Energy: 1.661589264825331
Energy: 1.6655359821479838
Energy: 1.8011412599649592
Energy: 1.674900197971184
Energy: 1.6669062762957145
Energy: 1.662010939893688
Energy: 1.658636681803352
Energy: 1.6616637380557246
Energy: 1.6651262816049133
Energy: 1.9775187909861625
Energy: 1.6662726831388492
Energy: 1.6599854631325495
Energy: 1.6807632382745106
Energy: 1.6689337253605658
Energy: 1.9977623836954457
Energy: 1.9952285589445524
Energy: 2.0054756857549587
Energy: 1.6790527211023205
Energy: 1.6600750714835781
Energy: 1.8129747287297258
Energy: 1.9644648727443055
Energy: 1.977688426055549
Energy: 1.8057544066533013
Energy: 2.0515653804153358

minimum gb energy = 1.6393389544068633 eV
minimum distance =  2.29920459557899 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.274379172478796
Energy: 1.5340285819292054
Energy: 1.5078623988553255
Energy: 1.8663655283645768
Energy: 1.840521313563085
Energy: 1.5328389171413441
Energy: 1.5176023106022614
Energy: 1.6398573440695896
Energy: 1.9527781142200846
Energy: 1.9616920076953683
Energy: 1.8242906168175845
Energy: 1.5568295084108044
Energy: 1.9621416767027757
Energy: 1.6633761520494883
Energy: 1.5058469738533118
Energy: 1.9533290125850822
Energy: 1.5217230886185862
Energy: 1.5345025816861988
Energy: 1.938214822012742
Energy: 1.9906897824132799
Energy: 1.813614494562159
Energy: 1.5208737182988847
Energy: 1.643199489091987
Energy: 1.9690266170500264
Energy: 1.9457851638516024
Energy: 1.9429098076592501
Energy: 2.209976243202575
Energy: 1.5247603029609649
Energy: 2.0092646485880885
Energy: 1.9401956855175277
Energy: 1.531528847891848
Energy: 1.5266915728573562
Energy: 1.7371701297875521
Energy: 1.7317705527854537
Energy: 2.2216448082094256
Energy: 1.5477993593582433
Energy: 2.2362004371566133
Energy: 1.9905184991357086
Energy: 2.450258499373015
Energy: 1.5080982844406805
Energy: 2.4506460512754575
Energy: 1.9352562371407245
Energy: 2.2480599316073255
Energy: 1.999548821349863
Energy: 1.7308959101658985
Energy: 1.7214845322570862
Energy: 1.7320151476885222
Energy: 2.2027002727087277
Energy: 1.947312591027397
Energy: 1.7405600720014844
Energy: 1.7405106271879385
Energy: 1.7232448152164292
Energy: 1.7512391614235177
Energy: 1.569278965890225
Energy: 1.8764397436672464
Energy: 1.6217697193465783
Energy: 1.7512586915140465
Energy: 1.7492057004784018
Energy: 1.5211131886660971
Energy: 1.5009465485086428
Energy: 2.048017428844388
Energy: 1.5103794750691175
Energy: 1.5053343821697305
Energy: 1.501333889290685
Energy: 1.6152915538446282
Energy: 1.5009104667392663
Energy: 1.8705609652392854
Energy: 1.4936586959138267
Energy: 1.5088865045767226
Energy: 1.514633871346632
Energy: 1.6243610117242757
Energy: 1.552901076308321
Energy: 1.8818642194916793
Energy: 1.5178307569684673
Energy: 1.50865259526349
Energy: 1.5220985799632554
Energy: 1.5225226738417745
Energy: 1.5206762334917103
Energy: 1.7037880474148603
Energy: 1.5218099919401913
Energy: 1.6215210426152393
Energy: 1.4944623008061515
Energy: 1.518968964726387
Energy: 1.5011360668449574
Energy: 1.5214395992914223
Energy: 1.520399802605598
Energy: 2.1999962438927145
Energy: 2.1445771490973433
Energy: 1.6192162063065927
Energy: 1.5016866531284463
Energy: 1.5509803828374369
Energy: 2.205595207289901
Energy: 2.1811223784974136
Energy: 2.13887879454067
Energy: 2.2016920334185435
Energy: 1.5296096924701847
Energy: 2.1671676007524048
Energy: 1.532296349586562
Energy: 2.130834976236918
Energy: 2.0788715656576717
Energy: 2.132254666920261
Energy: 1.7370708902184673
Energy: 2.1469149328311854
Energy: 1.5329076115337836
Energy: 2.3995398612466117
Energy: 1.9312525323233687
Energy: 2.134653533937999
Energy: 1.518670498488942
Energy: 1.5466827418547526
Energy: 1.5281192504583625
Energy: 2.1854895484257333
Energy: 2.1600198824923753
Energy: 2.2839403676181997
Energy: 1.5409080352446134
Energy: 1.5172446055326396
Energy: 1.5401212289060924
Energy: 1.770222855881119
Energy: 1.924132032450697
Energy: 1.5438766360066094
Energy: 1.51831318866173
Energy: 1.5221829685774457
Energy: 1.527861459873395
Energy: 1.7705653943067718
Energy: 1.8539292413456836
Energy: 1.529556301320504
Energy: 1.5187343628905317
Energy: 1.5332935049377712
Energy: 1.5235633860492304
Energy: 1.5211487606252159
Energy: 1.9583081137074965
Energy: 1.8125567150188056
Energy: 1.530177240456202
Energy: 1.5306405555656142
Energy: 1.5360260840754425
Energy: 1.9525380492280613
Energy: 1.8492243699988649
Energy: 1.8198600430313592
Energy: 1.5573811110894593

minimum gb energy = 1.4936586959138267 eV
minimum distance =  2.30475099114393 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.231674691936494
Energy: 1.3683484099925374
Energy: 1.951462659019195
Energy: 1.956054888273568
Energy: 1.9474738833524081
Energy: 1.8933533064205315
Energy: 1.3513974825624793
Energy: 1.4668343391437497
Energy: 1.7179455365142478
Energy: 2.0189274231399112
Energy: 1.717297727375213
Energy: 1.3533539297753354
Energy: 1.622939281266523
Energy: 1.3541753448938716
Energy: 1.9713504416079575
Energy: 1.9054135366407587
Energy: 1.717134447230959
Energy: 1.630710454593643
Energy: 1.6286512164951925
Energy: 1.628899731952038
Energy: 1.720818223418306
Energy: 1.9516939535893363
Energy: 1.352884440502025
Energy: 1.6300041574775888
Energy: 1.622438706241642
Energy: 1.617004210848068
Energy: 1.7111629329982323
Energy: 1.9547203049417554
Energy: 1.353114405998214
Energy: 1.6164971567490367
Energy: 1.35626236685184
Energy: 1.3533685483230093
Energy: 1.6297281111516702
Energy: 1.988285945886842
Energy: 1.9719706773970795
Energy: 1.3532801913182964
Energy: 1.3526046964636977
Energy: 1.6416025210027372
Energy: 1.614076609234759
Energy: 1.6855044569895365
Energy: 1.6532411528436437
Energy: 1.871391481284518
Energy: 1.3518148242684866
Energy: 1.4609604760383423
Energy: 1.6178975981807175
Energy: 1.6194431052492357
Energy: 1.615983480527081
Energy: 1.8963542261657824
Energy: 1.9523728954843755
Energy: 1.6312514890119947
Energy: 1.6305139473607142
Energy: 1.6326535501890302
Energy: 1.6403744167079313
Energy: 1.6152006936428003
Energy: 2.019002213645012
Energy: 1.7185114989001653
Energy: 1.6308832777101852
Energy: 1.620397118438767
Energy: 1.3530833630494274
Energy: 1.7174843181500823
Energy: 2.0052713141334757
Energy: 2.2231288235962277
Energy: 1.3493016026252318
Energy: 1.6243069256128952
Energy: 1.7205471938925883
Energy: 2.2116284173024328
Energy: 2.0145494344072965
Energy: 2.003610070878412
Energy: 1.3529312071319959
Energy: 1.6190403356573568
Energy: 1.3527714033465477
Energy: 2.0035788398501393
Energy: 2.0595605842900446
Energy: 2.003822452828989
Energy: 1.3527211549276033
Energy: 1.8872524259634085
Energy: 1.3532921921505912
Energy: 2.0140426302532712
Energy: 2.0908608344564388
Energy: 2.223322927704021
Energy: 1.3524889403836133
Energy: 1.3590900311442717
Energy: 1.3530378439950628
Energy: 2.493519991648395
Energy: 2.0583847279656444
Energy: 1.3523465846267566
Energy: 1.3519739154206107
Energy: 1.350189754759244
Energy: 1.353825081884461
Energy: 1.7173082782568878
Energy: 2.0310837374827955
Energy: 1.3489732006192836
Energy: 1.352811155420801
Energy: 1.354807727784511
Energy: 1.3533753223539429
Energy: 1.7316354856684444
Energy: 2.002749529686936
Energy: 1.3522986577257403
Energy: 1.351909883288799
Energy: 1.3630388405507134
Energy: 1.3533800376284972
Energy: 1.9726034452511658
Energy: 2.055044321765147
Energy: 1.7170795426460128
Energy: 1.352974211639047
Energy: 1.3533439415869872
Energy: 1.3529161698912033
Energy: 2.003358828971713
Energy: 1.7111214781100155
Energy: 1.6954828334059042
Energy: 1.6146169858026334
Energy: 1.8969234135748498
Energy: 1.9887027503050227
Energy: 1.7080304196120821
Energy: 1.9550114156289489
Energy: 1.7178495981516764
Energy: 1.3519657581935896
Energy: 1.6098205161050547
Energy: 1.4683033169873536
Energy: 2.003148544074913
Energy: 1.906151396297735
Energy: 1.9745860295647284
Energy: 1.6412036725198895
Energy: 1.6201532289790244
Energy: 1.46410038933341
Energy: 2.2065832849112916
Energy: 1.9540919809469088
Energy: 1.459719640851315
Energy: 1.6291993474821782
Energy: 1.6295095736038938
Energy: 1.6405457578834295
Energy: 2.003640616947563
Energy: 1.685100894999523
Energy: 1.3518430183680143
Energy: 1.616967934401158
Energy: 1.6216332412048495
Energy: 1.6417258417851723
Energy: 1.631120932798639
Energy: 2.0037063812653546
Energy: 1.3610820802245671
Energy: 1.6114620764212761
Energy: 1.6223883445105283
Energy: 1.6242085282097036
Energy: 2.1960786030691346
Energy: 1.686439252242487
Energy: 1.6175199442385915
Energy: 1.618230242333887
Energy: 1.6799011496054304
Energy: 1.6421718217978054
Energy: 1.6180445213063583
Energy: 1.6233839658907425
Energy: 1.6156532971872848
Energy: 1.6257893271361001
Energy: 2.0006684982130043
Energy: 1.6545323883256757
Energy: 1.6233732509763799
Energy: 1.6179560814765808
Energy: 1.6408929380012642
Energy: 1.6305943568160999
Energy: 1.952896677516598
Energy: 1.6427612222393086
Energy: 1.640951254069848
Energy: 1.6176819110216905
Energy: 1.6411772184703202
Energy: 1.7182612156917794
Energy: 2.0174153837716284
Energy: 1.4669153232473946
Energy: 1.6257473547759567
Energy: 1.6179994471628278
Energy: 1.4600590491546221
Energy: 2.216409530829469
Energy: 2.050238654209241
Energy: 2.2135076630918245
Energy: 1.6243950735389785
Energy: 1.675701967837554
Energy: 1.3527740296106041
Energy: 2.0036621557269267
Energy: 2.0138572220403144
Energy: 2.057925905517185
Energy: 1.625860394023917
Energy: 1.3564549806769732
Energy: 1.353464732807268
Energy: 1.9911463039541843
Energy: 1.7286923094519229
Energy: 2.00371246731831
Energy: 1.610614422041337
Energy: 1.354380089658644
Energy: 1.3527202056525578
Energy: 2.2135152848631705
Energy: 2.087618677295524
Energy: 1.4656205098087873
Energy: 1.3520498251294129
Energy: 1.3487403235173532
Energy: 1.3534414421375853
Energy: 1.4664184659677482
Energy: 2.0871428993978443
Energy: 1.353567608593276
Energy: 1.3527878739619956
Energy: 1.3499580076445075
Energy: 1.3541946290894518
Energy: 1.3552833739170107
Energy: 2.032704726235803
Energy: 1.354052626433517
Energy: 1.3522548767343197
Energy: 1.359127390368404
Energy: 1.3521064762788018
Energy: 1.4673354275024593
Energy: 2.0061711146794066
Energy: 1.3527434871623498
Energy: 1.347843510775526
Energy: 1.3533305402198867
Energy: 1.3518833612075112
Energy: 1.7179805193584432
Energy: 2.007884797594978
Energy: 1.7174262167806034
Energy: 1.3520525903304181
Energy: 2.0011310243163267
Energy: 1.3529109555858945
Energy: 1.7264474972110175
Energy: 1.7104694129156999
Energy: 1.7320860095762014
Energy: 1.89284577845959

minimum gb energy = 1.347843510775526 eV
minimum distance =  2.24575905271863 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 2.607924567545653
Energy: 0.996432425962004
Energy: 1.5559839273238758
Energy: 1.5569667564416492
Energy: 1.5563818576144022
Energy: 2.597004276199504
Energy: 2.074533945971669
Energy: 1.1007516645106041
Energy: 1.099891916294784
Energy: 1.5588412355315762
Energy: 1.0989400797782645
Energy: 1.5612694503106626
Energy: 1.5572650687770102
Energy: 1.101436644278967
Energy: 1.0996979813615373
Energy: 0.9975911578636242
Energy: 1.099421801637556
Energy: 1.5607103867791448
Energy: 1.5578165723577273
Energy: 1.1039516692191704
Energy: 1.098201611100344
Energy: 1.5570873745318814
Energy: 1.0982735670185986
Energy: 1.8300595217958504
Energy: 1.5588425500060017
Energy: 1.5607469284991993
Energy: 1.099910857933722
Energy: 1.5573511213311109
Energy: 1.0984929808223136
Energy: 1.5609598719235513
Energy: 1.55584575359526
Energy: 1.556584208199505
Energy: 1.0996582386873563
Energy: 1.534317539779021
Energy: 1.5564025093794247
Energy: 1.5559464883611942
Energy: 2.0761319040480464
Energy: 1.0984527527007688
Energy: 1.5579462479020814
Energy: 1.5612161907659827
Energy: 1.097841537031327
Energy: 1.643291218227439
Energy: 2.073973676560999
Energy: 1.1003869293027817
Energy: 1.5577983378873426
Energy: 1.5610424756084826
Energy: 1.5592424928805368
Energy: 1.6444316841382445
Energy: 1.5618393585992492
Energy: 1.101356221746686
Energy: 1.098396374769667
Energy: 0.9977494689831057
Energy: 1.098405643470773
Energy: 1.55547207045343
Energy: 1.5583902146473378
Energy: 1.1007166707135265
Energy: 1.0982310565496525
Energy: 1.5570795873297
Energy: 1.0973285723800215
Energy: 1.0989020691823799
Energy: 1.5581893825680244
Energy: 1.8304835635256338
Energy: 1.0993803554626707
Energy: 1.5616556098099854
Energy: 1.0996208363657993
Energy: 1.5567568260587141
Energy: 1.5610019459204936
Energy: 1.5580442335335636
Energy: 1.0983764218811485
Energy: 1.5340852240481764
Energy: 1.096679120421963
Energy: 1.5581444189572653
Energy: 1.5627361436233815
Energy: 1.559313282513998
Energy: 1.0981996682925816
Energy: 1.55118869362477
Energy: 1.0971110459891171
Energy: 1.5561075169055898
Energy: 2.0748278109381078
Energy: 1.8320563826224148
Energy: 1.5552921371189936
Energy: 1.5581057818485697
Energy: 1.5553119435096407
Energy: 1.6394598744220934

minimum gb energy = 0.996432425962004 eV
minimum distance =  2.37403651399696 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.499869348565643
Energy: 1.5026899659349386
Energy: 1.4913101153494606
Energy: 1.8090025180834082
Energy: 1.4913976899649353
Energy: 1.5047049818737501
Energy: 1.5018737717213486
Energy: 1.520869270057428
Energy: 1.5136130950885112
Energy: 1.5129179494088176
Energy: 1.6300872751652666
Energy: 1.5209601633334169
Energy: 1.5194060981324224
Energy: 1.5212415047611032
Energy: 1.633407389725608
Energy: 1.7076419048630704
Energy: 1.6326683517695157
Energy: 1.5201952887815133
Energy: 1.5229435734144503
Energy: 1.5209345643028092
Energy: 1.6303171471414253
Energy: 1.513532576183293
Energy: 1.5207387565779469
Energy: 1.5207941449814046
Energy: 1.5212197631874422
Energy: 1.521658390899954
Energy: 1.7598299620726556
Energy: 1.4991236448172347
Energy: 1.5210998412265988
Energy: 1.5211426399498005
Energy: 1.5210093305655705
Energy: 1.5202988413060399
Energy: 1.613974024448336
Energy: 1.4988768876951941
Energy: 1.6143312626575856
Energy: 1.5206876868137313
Energy: 1.510328579001014
Energy: 1.5228307933580074
Energy: 1.4995770651005134
Energy: 1.4993553926242027
Energy: 1.4989584959640345
Energy: 1.6150052037015232
Energy: 1.5123811776852139
Energy: 1.5206999956427083
Energy: 1.491229972267727
Energy: 1.4911234884139832
Energy: 1.656654594723295
Energy: 1.6800357204153542
Energy: 1.5213012138013278
Energy: 1.520689389144275
Energy: 1.4914305121157192
Energy: 1.6859262256208862
Energy: 1.5218452054408647
Energy: 1.5206563916061548
Energy: 1.5194950409816932
Energy: 1.5201188083626698
Energy: 1.7584253875015377
Energy: 1.7038677700576135
Energy: 1.5205983114901378
Energy: 1.5198721992529416
Energy: 1.5207213349627564
Energy: 1.5211334946251152
Energy: 1.4911681257449048
Energy: 1.4907705730344438
Energy: 1.6140610013277559
Energy: 1.5215190179884355
Energy: 1.5206536977152663
Energy: 1.5204922383576913
Energy: 1.4912774560218751
Energy: 1.49130990968022
Energy: 1.614143365811127
Energy: 1.5203333843414224
Energy: 1.6762401421695463
Energy: 1.6136463860892505
Energy: 1.4912809426026714
Energy: 1.4912381352100157
Energy: 1.491998731430691
Energy: 1.6700869652634118
Energy: 1.50221717994245
Energy: 1.4920153588678562
Energy: 1.4912706850310933
Energy: 1.493002649042515
Energy: 1.4923270651593061
Energy: 1.4920621074100882
Energy: 1.6728066501864742
Energy: 1.4912745172894981
Energy: 1.4913440451577173
Energy: 1.4906664053518799
Energy: 1.4918358790050643
Energy: 1.4926106693264194
Energy: 1.6718565618503773
Energy: 1.6731641271651339
Energy: 1.4917876586485301
Energy: 1.4897836346286728
Energy: 1.6728779662561752
Energy: 1.6725479664578364
Energy: 1.6763122642903059
Energy: 1.4922735541551304
Energy: 1.4915854298694642
Energy: 1.490629893918201
Energy: 1.4920721815986477
Energy: 1.492501636041782
Energy: 1.707232452273773
Energy: 1.630238261862158
Energy: 1.4909386414168555
Energy: 1.4906389359727785
Energy: 1.4921053896538068
Energy: 1.6210064165583429
Energy: 1.676489995069996
Energy: 1.491570681427413
Energy: 1.4917305740979956
Energy: 1.4925848944629416
Energy: 1.491525427732462
Energy: 1.4924065738451706
Energy: 1.509155754834904
Energy: 1.7514808058328126
Energy: 1.4913747596367213
Energy: 1.4914746215216974
Energy: 1.4913945680631835
Energy: 1.5085558362611615
Energy: 1.5078987370635997
Energy: 1.613997202020951
Energy: 1.49162148124746
Energy: 1.491078235113439
Energy: 1.492550533152658
Energy: 1.6290823252414177
Energy: 1.5094515521675065
Energy: 1.508063063910931
Energy: 1.4912128926628057
Energy: 1.507655203065887
Energy: 1.7543288489592033
Energy: 1.5083460851729693
Energy: 1.5203649162332216
Energy: 1.5214859318724399
Energy: 1.50523000494238
Energy: 1.6800641315438258
Energy: 1.509244391302056
Energy: 1.520264403700806
Energy: 1.503247191163608
Energy: 1.629484304356614
Energy: 1.6558111204560653
Energy: 1.4915273060163774
Energy: 1.4913058945427444
Energy: 1.5032586943122277
Energy: 1.5034420867992746
Energy: 1.491481111274121
Energy: 1.4912422674890704
Energy: 1.4913161144201244
Energy: 1.4913943502424791
Energy: 1.8290035081392737
Energy: 1.522210020119525
Energy: 1.6365777194637376
Energy: 1.491451519591269
Energy: 1.4914288098107291
Energy: 1.7523947818345447
Energy: 1.521003314438103
Energy: 1.5216965722907327
Energy: 1.8553904682294409
Energy: 1.4912683412128118
Energy: 1.4912011807244827
Energy: 1.6308263477726472
Energy: 1.5201480270613508
Energy: 1.521230249058634
Energy: 1.5204002091754711
Energy: 1.4914171825930256
Energy: 1.491094452169867
Energy: 1.62776213741464
Energy: 1.520107858871604
Energy: 1.5212883586129615
Energy: 1.52069276994799
Energy: 1.5212669039051578
Energy: 1.7023928718814099
Energy: 1.5207845590452256
Energy: 1.5205112923042445
Energy: 1.521215793720646
Energy: 1.5212418778594032
Energy: 1.6300250747627956
Energy: 1.5124647128262627
Energy: 1.6326820524441121
Energy: 1.5148651434307525
Energy: 1.4998617861265666
Energy: 1.6298232229237588
Energy: 1.4917129395957347
Energy: 1.4911823352572349
Energy: 1.4916330555556259
Energy: 1.5036038141317665

minimum gb energy = 1.4897836346286728 eV
minimum distance =  2.26695943712431 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 3.0572378677564096
Energy: 1.7250866493337267
Energy: 1.8269725685898535
Energy: 1.8247007261942245
Energy: 1.8269219110660055
Energy: 1.7261197435705082
Energy: 1.9451446814219941
Energy: 1.759701207691119
Energy: 1.6616521429325026
Energy: 1.66133566808725
Energy: 1.7601263020917657
Energy: 1.6623814062368216
Energy: 1.6605972672639997
Energy: 1.662414787649497
Energy: 1.8358222789196978
Energy: 1.6326292340425363
Energy: 1.834221698934378
Energy: 1.6632170614473445
Energy: 1.6607860248378015
Energy: 1.7645025895923763
Energy: 1.6619885393383709
Energy: 1.661800006038429
Energy: 1.7655434277996944
Energy: 1.6645584709973484
Energy: 1.6607011037636688
Energy: 1.7656407096381679
Energy: 1.758365601514832
Energy: 1.6602889833026864
Energy: 1.7594281716436124
Energy: 1.6648344037676994
Energy: 1.6605905359334903
Energy: 1.833771640048076
Energy: 1.7588804209152356
Energy: 1.661127508038295
Energy: 1.834806239594045
Energy: 1.6632374565683896
Energy: 1.8031803675600895
Energy: 1.7602091344411268
Energy: 1.6620887202147292
Energy: 1.8142342372155904
Energy: 1.6621094536075616
Energy: 1.7582190150919017
Energy: 1.8031975350671035
Energy: 1.8343392661946276
Energy: 1.6633273415476433
Energy: 1.8143205502540751
Energy: 1.6619846828146048
Energy: 1.7583142883513667
Energy: 1.8133367089242467
Energy: 1.6621083327840807
Energy: 1.6327342044357576
Energy: 1.6323120122394559
Energy: 1.7591859551200166
Energy: 1.6631448586140034
Energy: 1.8147698871269198
Energy: 1.6631063101180206
Energy: 1.6327524205129258
Energy: 1.7892410144532376
Energy: 1.7585285058060875
Energy: 1.6624118440368865
Energy: 1.632081334997742
Energy: 1.7588425517425674
Energy: 1.6629980065852277
Energy: 1.721486887579106
Energy: 1.8356988710948938
Energy: 1.7585552006594978
Energy: 1.632046360367708
Energy: 1.7595563480000553
Energy: 1.6637018510059403
Energy: 1.6622553368090092
Energy: 1.7637393023773136
Energy: 1.7582078707843116
Energy: 1.6618593409613174
Energy: 1.7648851300476498
Energy: 1.7658611062119292
Energy: 1.6619037550198246
Energy: 1.7656667664108552
Energy: 1.6625618219654303
Energy: 1.6612348779590316
Energy: 1.8339118739546862
Energy: 1.662653465238092
Energy: 1.661532024590456
Energy: 1.7652949455859892
Energy: 1.7595002421874355
Energy: 1.660937204669754
Energy: 1.7597133726579113
Energy: 1.6611767123479872
Energy: 1.6643929807600237
Energy: 1.759549660215874
Energy: 1.6638866239141072
Energy: 1.814299534879271
Energy: 1.66249217648811
Energy: 1.661054104149604
Energy: 1.6545396073124905
Energy: 1.6646422105879735
Energy: 1.8166641287980676
Energy: 1.9448814902479603
Energy: 1.6619648859483975
Energy: 1.6652110812711893
Energy: 1.6638028585960292
Energy: 1.7597437864103134
Energy: 1.661764787778789

minimum gb energy = 1.632046360367708 eV
minimum distance =  2.2845093780403 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 3.2596180393640184
Energy: 1.7472253334508836
Energy: 1.8362365056077665
Energy: 1.8489630913783672
Energy: 1.8379970869778666
Energy: 1.7451033641193239
Energy: 1.925787678682105
Energy: 1.9415762948767146
Energy: 1.8160351171864295
Energy: 1.8140843045506894
Energy: 1.8450750244706156
Energy: 1.816226684492621
Energy: 1.7987838144544095
Energy: 1.9283090854994998
Energy: 2.067401296386325
Energy: 1.715191767624294
Energy: 1.9450081893493605
Energy: 1.8023315880454576
Energy: 1.816012982638825
Energy: 1.8442444563456084
Energy: 1.9286791557764835
Energy: 1.7994727788769214
Energy: 1.833047598434547
Energy: 1.813674540039016
Energy: 1.7970761398200046
Energy: 1.9897024946709667
Energy: 1.8149926990125114
Energy: 1.7988314340115992
Energy: 2.0845555428345377
Energy: 1.9917424028286168
Energy: 1.8002766616020176
Energy: 1.95057393195135
Energy: 1.7998844899477826
Energy: 1.798664330188086
Energy: 1.9849514181114178
Energy: 1.7997988308885182
Energy: 1.8433486547239528
Energy: 1.9293153228899518
Energy: 1.8360669192833903
Energy: 1.8024408871660507
Energy: 1.8353127733920773
Energy: 1.8249079382578595
Energy: 1.8435136709936681
Energy: 1.9274644888221375
Energy: 1.799301297799672
Energy: 1.7974716295166344
Energy: 1.9295253761371514
Energy: 1.80993322849876
Energy: 1.8319135095515444
Energy: 1.8037644762413996
Energy: 1.8124936387798427
Energy: 1.8326169499324156
Energy: 1.944724447441919
Energy: 1.834954293941126
Energy: 1.8384213181610753
Energy: 1.8031919729031076
Energy: 1.8123964443487472
Energy: 1.8324427296295056
Energy: 1.9457935416958065
Energy: 1.8463133442657624
Energy: 1.9255302076683485
Energy: 1.9276330854449293
Energy: 1.8005456396231418
Energy: 1.8396774160575262
Energy: 1.7990821076678476
Energy: 1.7179509479689308
Energy: 1.9258551053694093
Energy: 1.810439031870804
Energy: 1.8006154340229599
Energy: 1.8347209382935705
Energy: 1.8050808976147132
Energy: 1.9004847578170958
Energy: 1.798250194236729
Energy: 1.9284986574725484
Energy: 1.9451585204019695
Energy: 1.7146655911605175
Energy: 1.943934215859699
Energy: 1.799927364649915
Energy: 1.8063516952574143
Energy: 1.8437367889357252
Energy: 1.826291993591481
Energy: 1.7281309588145288
Energy: 1.9408467584423972
Energy: 1.840951015724875
Energy: 1.7970066767763866
Energy: 1.9899284250333966
Energy: 1.8159341222622543
Energy: 1.8128143777449293
Energy: 2.0785622527274508
Energy: 1.9884077422569746
Energy: 1.811931232440296
Energy: 1.9509213390758764
Energy: 1.988289126913422
Energy: 1.7968075767190061
Energy: 1.989488276592519
Energy: 1.8119355593030544
Energy: 1.8454593529987144
Energy: 1.9344728634550388
Energy: 1.8429246765513607
Energy: 1.8126954840440586
Energy: 1.8414652104865996
Energy: 1.7976538752036646
Energy: 1.8430976671762216
Energy: 1.9449741883257796
Energy: 1.799154263915698
Energy: 1.7981635142050385
Energy: 1.9292268369116636
Energy: 1.9445516342081062
Energy: 1.8460682882116406
Energy: 1.8161739487621886
Energy: 1.843347012699178
Energy: 1.798355903587457
Energy: 1.8257023006135156
Energy: 1.849719360910796
Energy: 1.8381722801518092
Energy: 1.8422123978682992
Energy: 1.8341027803743297
Energy: 1.8328044572164766
Energy: 1.798949345847778
Energy: 1.8451181508197243
Energy: 1.926051925923634
Energy: 1.8407616284903439
Energy: 1.8027659543097911
Energy: 1.8389541383170689
Energy: 1.9287851660946602
Energy: 1.8124328590837397

minimum gb energy = 1.7146655911605175 eV
minimum distance =  2.28293381990941 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.8816891948796661
Energy: 1.7994113813844488
Energy: 1.8199382726034767
Energy: 1.8716948949666594
Energy: 1.819973393169667
Energy: 1.798773677054102
Energy: 1.8842210400622235
Energy: 1.7872340610911668
Energy: 1.8445798205288928
Energy: 1.8609490678437468
Energy: 1.8383122158858725
Energy: 1.7904110239735813
Energy: 1.7687934023850942
Energy: 1.7751439822044905
Energy: 1.745010470114545
Energy: 1.977046332258771
Energy: 1.769413699888666
Energy: 1.7755774151594461
Energy: 1.7853291762246737
Energy: 1.7863670589415153
Energy: 1.8145666747114335
Energy: 1.828041113080366
Energy: 1.8359357890567976
Energy: 1.787857859252695
Energy: 1.7478992198679846
Energy: 2.0138044278115883
Energy: 1.8251553755914574
Energy: 1.8272651329107166
Energy: 1.9699066197409127
Energy: 2.0742044795117445
Energy: 1.7744456494265255
Energy: 1.7735529899974123
Energy: 1.8251995321986774
Energy: 1.8246223920273956
Energy: 1.9654063842254437
Energy: 1.7733715376530748
Energy: 1.7441617575723691
Energy: 1.8876753295146238
Energy: 1.9054810108424256
Energy: 1.844813229425593
Energy: 1.9893210174564349
Energy: 1.8944176195771836
Energy: 1.743802159301773
Energy: 1.8966204726738083
Energy: 1.8254447043937438
Energy: 1.8249332396194318
Energy: 1.7608557490533283
Energy: 1.745662726765809
Energy: 1.7754112677803433
Energy: 1.7450084456509103
Energy: 1.8310074887147185
Energy: 1.8812302861017547
Energy: 1.8300506188587873
Energy: 1.7446486805638883
Energy: 1.7437869035827596
Energy: 1.730039166499455
Energy: 1.8405453327390806
Energy: 1.8815707998805862
Energy: 1.7303819231730773
Energy: 1.7482833449844482
Energy: 1.7409609436283346
Energy: 1.7921804152247578
Energy: 1.8819906105792292
Energy: 1.8810227618795108
Energy: 1.8284035321250969
Energy: 1.7409639007651834
Energy: 1.8818703074195835
Energy: 1.7306939531958592
Energy: 1.8298637840035146
Energy: 1.829646028999891
Energy: 1.853960729292037
Energy: 1.7300311064000453
Energy: 1.7445010504217888
Energy: 1.7437647766613098
Energy: 1.7305782620635013
Energy: 1.7259414891110592
Energy: 1.731193296771989
Energy: 1.7478712656308395
Energy: 1.7437771621408165
Energy: 1.7322234687287683
Energy: 1.8429039855475762
Energy: 1.9149371096242123
Energy: 1.7308843027003846
Energy: 1.7304670533159519
Energy: 1.7431445495891054
Energy: 1.8551696908826476
Energy: 1.7302982156116802
Energy: 1.7310321278796195
Energy: 1.7301827716385663
Energy: 1.744084088429254
Energy: 1.794781160805806
Energy: 1.9023790884174006
Energy: 1.7934549984689685
Energy: 1.8000472866435677
Energy: 1.7598953127044745
Energy: 1.733686929671035
Energy: 1.7443150773382046
Energy: 1.7448698285742905
Energy: 1.9710200040103283
Energy: 1.7608894493366616
Energy: 1.8911550084036004
Energy: 1.7444348171591046
Energy: 1.7443208179893868
Energy: 1.9355863359024286
Energy: 1.7308204628710009
Energy: 1.7982329266902006
Energy: 1.935015785699042
Energy: 1.9359095128500414
Energy: 1.7437651153671525
Energy: 1.9076748586905015
Energy: 1.814681076739124
Energy: 1.8128611025391865
Energy: 1.9958449003300847
Energy: 1.9058256299738008
Energy: 1.7445791810086961
Energy: 1.7465565762446762
Energy: 2.076353279946165
Energy: 1.8094233667674757
Energy: 1.9261530336334904
Energy: 1.7448026672118615
Energy: 1.881808424207331
Energy: 1.8909238497221508
Energy: 1.8139639404847843
Energy: 1.8141036493478837
Energy: 1.8383807171936795
Energy: 1.7698347402203238
Energy: 1.7585961050393886
Energy: 1.8164802215977818
Energy: 1.8092053386179436
Energy: 1.8094833001044164
Energy: 1.8397644357067349
Energy: 1.8109401356449315
Energy: 1.864751970884868
Energy: 1.7910329287104962
Energy: 1.8084863577670192
Energy: 1.8757876886656282
Energy: 1.7866867751778368
Energy: 1.86530951725276
Energy: 1.8323496634876906
Energy: 1.8301889386700922
Energy: 1.7429281659600986
Energy: 1.7411266719162937
Energy: 1.7449647298356974
Energy: 1.8302727001515522
Energy: 1.884356260997874
Energy: 1.8913579028869545
Energy: 1.8293239709268474
Energy: 1.86288067856137
Energy: 1.829774276709534
Energy: 1.7744618520532258

minimum gb energy = 1.7259414891110592 eV
minimum distance =  2.27792781054875 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.8390213210788937
Energy: 1.7372091538556746
Energy: 1.8060484528192444
Energy: 1.8098530933388162
Energy: 1.804446820062383
Energy: 1.737837588095371
Energy: 1.7403235385402143
Energy: 1.7255849242063916
Energy: 1.7631352721707798
Energy: 1.753503023435462
Energy: 1.7421205520396779
Energy: 1.7334112690763452
Energy: 1.7196755475010717
Energy: 1.7250186105304672
Energy: 1.73314536951206
Energy: 1.7161912625564018
Energy: 1.7255109976847414
Energy: 1.719546179559898
Energy: 1.7222072557094834
Energy: 1.7228095462311095
Energy: 1.718413694966063
Energy: 1.763692072028416
Energy: 1.7386916867154858
Energy: 1.7227007531398195
Energy: 1.710776665279201
Energy: 1.8476353186544685
Energy: 1.7467428909094385
Energy: 1.723416356816429
Energy: 1.8791034304452252
Energy: 1.8262070008660323
Energy: 1.721970758028094
Energy: 1.7248741586780472
Energy: 1.722266919187447
Energy: 1.7333690423988288
Energy: 1.826851137598894
Energy: 1.7247502176404803
Energy: 1.7358740403742168
Energy: 1.9298078677364552
Energy: 1.9273077057299581
Energy: 1.7343918526673705
Energy: 1.9289683271396711
Energy: 1.8788405199202558
Energy: 1.7257980488019171
Energy: 1.8683661477236237
Energy: 1.7223371391487532
Energy: 1.7232487429806258
Energy: 1.7225027060468319
Energy: 1.7257140101322406
Energy: 1.723219186244521
Energy: 1.841593288977004
Energy: 1.8256442437739882
Energy: 1.7244751242470509
Energy: 1.8636919820209281
Energy: 1.8076789179990882
Energy: 1.7353812916313827
Energy: 1.7250095616026984
Energy: 1.726026004040931
Energy: 1.7282663852704423
Energy: 1.8457754590419275
Energy: 1.7250998662668728
Energy: 1.722171734839256
Energy: 1.7837245974581035
Energy: 1.7265618520068249
Energy: 1.7263962652407843
Energy: 1.7999015024411653
Energy: 1.7271209980824427
Energy: 1.7286735485983662
Energy: 1.728698410337
Energy: 1.7039474537662898
Energy: 1.7282966585008617
Energy: 1.7037948211604326
Energy: 1.7420833134898301
Energy: 1.7572752599688048
Energy: 1.7479241863786048
Energy: 1.720680806659756
Energy: 1.6920848071509926
Energy: 1.7256008654482977
Energy: 1.7487061053419348
Energy: 1.7055651607603852
Energy: 1.7254249219732132
Energy: 1.7033743114695905
Energy: 1.7290737016022473
Energy: 1.6821577624503472
Energy: 1.6794326458327156
Energy: 1.701140985896359
Energy: 1.7032941874379204
Energy: 1.72392862123678
Energy: 1.7239671616523948
Energy: 1.7238031748644673
Energy: 1.7034445064378776
Energy: 1.6782107002414721
Energy: 1.7029444034901433
Energy: 1.7031497090540002
Energy: 1.7270622214885831
Energy: 1.7032490725263443
Energy: 1.7420657783783287
Energy: 1.679008389369764
Energy: 1.6790937951765967
Energy: 1.712113383475089
Energy: 1.712641702702852
Energy: 1.7116385249166903
Energy: 1.6790224435704004
Energy: 1.7407300368474308
Energy: 1.7415704807361316
Energy: 1.7038009313546243
Energy: 1.7424998046218243
Energy: 1.7123619749807366
Energy: 1.7321312361089443
Energy: 1.71103451381703
Energy: 1.9153320680967698
Energy: 1.7279551462832774
Energy: 1.7292297570175303
Energy: 1.7263787531263484
Energy: 1.922039834747467
Energy: 1.7322009511764458
Energy: 1.8408182516260165
Energy: 1.8693272327186674
Energy: 1.7267850018215773
Energy: 1.8720868055889626
Energy: 1.678853239479581
Energy: 1.7325493984767013
Energy: 1.916493348043412
Energy: 1.9404421103774285
Energy: 1.724205209496725
Energy: 1.9115315962058872
Energy: 1.7335006142893075
Energy: 1.7331043696876756
Energy: 1.9328037409807863
Energy: 1.7265263790414906
Energy: 1.737938946019865
Energy: 1.8740038389564722
Energy: 1.9072407168156396
Energy: 1.7377480105396992
Energy: 1.836589135425875
Energy: 1.7272257377166218
Energy: 1.7188328359658185
Energy: 1.8642203582032653
Energy: 1.835805520513896
Energy: 1.7326838028762868
Energy: 1.733269589805759
Energy: 1.891654586087637
Energy: 1.7190323959585188
Energy: 1.8916565209124199
Energy: 1.7336665787767012
Energy: 1.7232747102698673
Energy: 1.7216754641985048
Energy: 1.7268617401301927
Energy: 1.7215097400996757
Energy: 1.7419541906018872
Energy: 1.7254564033814896
Energy: 1.722129236216995
Energy: 1.7181329147078412
Energy: 1.7184502693916281
Energy: 1.7189361774548793
Energy: 1.7240375269525576
Energy: 1.718543779995129
Energy: 1.7201260687170377
Energy: 1.7335963809650397
Energy: 1.8700167108773635
Energy: 1.729410035073475
Energy: 1.7252223961903712
Energy: 1.7332145159820138
Energy: 1.7335236512168481
Energy: 1.7205691515635655
Energy: 1.7038677255550494
Energy: 1.6934031581911706
Energy: 1.7334703813005876
Energy: 1.7201411867788459
Energy: 1.7476931136711873
Energy: 1.7187799373428903
Energy: 1.7540474701912525
Energy: 1.7605458351943253
Energy: 1.7339948082330425
Energy: 1.6931863007204675

minimum gb energy = 1.6782107002414721 eV
minimum distance =  2.28383219115692 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.713057962060222
Energy: 1.6301368358613624
Energy: 1.710798688433225
Energy: 1.7111861295615762
Energy: 1.7118358405948542
Energy: 1.6567117947892036
Energy: 1.6431122045317188
Energy: 1.641858710897966
Energy: 1.636959840422082
Energy: 1.6412599136689001
Energy: 1.6419473581192034
Energy: 1.6396644625400307
Energy: 1.640907867273124
Energy: 1.641419696883826
Energy: 1.6434227985993863
Energy: 1.628438542452749
Energy: 1.6416875618228175
Energy: 1.6417957065190492
Energy: 1.6411029983262104
Energy: 1.6425401139111238
Energy: 1.6402163348362295
Energy: 1.6399814873545555
Energy: 1.6382034325215975
Energy: 1.6417047490934922
Energy: 1.623893765301477
Energy: 1.7508392916543003
Energy: 1.6398871707997218
Energy: 1.6369883855990042
Energy: 1.7840699839783654
Energy: 1.6297132737952942
Energy: 1.640853939329904
Energy: 1.6415324681415049
Energy: 1.638263686064962
Energy: 1.6372000996938996
Energy: 1.750134418644057
Energy: 1.6423356461588094
Energy: 1.6410577923700873
Energy: 1.8604417303389096
Energy: 1.8569364658935401
Energy: 1.847163123931427
Energy: 1.8604642499129456
Energy: 1.7747422537042115
Energy: 1.6420259466282128
Energy: 1.7779500384138365
Energy: 1.636255019140594
Energy: 1.6391300426718332
Energy: 1.6388171214448144
Energy: 1.6415175636615074
Energy: 1.6405989880351235
Energy: 1.860865104223238
Energy: 1.8591934457642796
Energy: 1.639222073687901
Energy: 1.8545300169365617
Energy: 1.8489550358686524
Energy: 1.6409227942874374
Energy: 1.6418606900271249
Energy: 1.6386181701916813
Energy: 1.638672248564917
Energy: 1.8545552165794301
Energy: 1.6426792562151655
Energy: 1.6383824792281252
Energy: 1.7520400260252396
Energy: 1.7518962454251121
Energy: 1.6405985500246978
Energy: 1.7522656853906975
Energy: 1.750562061376491
Energy: 1.636282863671375
Energy: 1.751213427285125
Energy: 1.6382214156374195
Energy: 1.638554891570504
Energy: 1.6393958424551358
Energy: 1.639714640314317
Energy: 1.6413835360715585
Energy: 1.6413588879480425
Energy: 1.6379909875560559
Energy: 1.63046596832654
Energy: 1.6387667062866609
Energy: 1.6413639299593257
Energy: 1.6375055391542492
Energy: 1.6399628489818803
Energy: 1.6406990822443415
Energy: 1.6387770487613664
Energy: 1.639135997183948
Energy: 1.6403062714817584
Energy: 1.6332289664887232
Energy: 1.6383251837366224
Energy: 1.6386615567491916
Energy: 1.6379463292071736
Energy: 1.6377803658673253
Energy: 1.6274205548884733
Energy: 1.6337425748565513
Energy: 1.825938770065797
Energy: 1.6402292424743996
Energy: 1.637682025245759
Energy: 1.6381069281544036
Energy: 1.6849814093520166
Energy: 1.7056222364099831
Energy: 1.640779786196328
Energy: 1.6302131585287458
Energy: 1.626900665297278
Energy: 1.6403257043709285
Energy: 1.6392071502124173
Energy: 1.6376497616226295
Energy: 1.637967905253248
Energy: 1.639692716508665
Energy: 1.6268075875527725
Energy: 1.6413971013184712
Energy: 1.6374704009215189
Energy: 1.6235451363747804
Energy: 1.6381752656850255
Energy: 1.6411191627789876
Energy: 1.6385751387496241
Energy: 1.6412916168853615
Energy: 1.6308001837414154
Energy: 1.6295700915766795
Energy: 1.6414532761833367
Energy: 1.6409617088402604
Energy: 1.6403608071765852
Energy: 1.6430068207966102
Energy: 1.6418084867994314
Energy: 1.6369362279956405
Energy: 1.6376867937682136
Energy: 1.7914737425957763
Energy: 1.624739761467266
Energy: 1.7506486142959043
Energy: 1.6382630680558343
Energy: 1.63626234368552
Energy: 1.7505396644888733
Energy: 1.6423941666049886
Energy: 1.641202116242869
Energy: 1.7513185090678267
Energy: 1.6372755829976187
Energy: 1.6374947999842098
Energy: 1.860151948631993
Energy: 1.7760645184328463
Energy: 1.643465281275659
Energy: 1.860128911902625
Energy: 1.8554866038093658
Energy: 1.6368912664170125
Energy: 1.6401850882125426
Energy: 1.769010572413933
Energy: 1.640701133718268
Energy: 1.8465572459469768
Energy: 1.6384759934541622
Energy: 1.6377318741006994
Energy: 1.8603230271890836
Energy: 1.849221256084634
Energy: 1.6406542478148494
Energy: 1.845513979347577
Energy: 1.6380595066651635
Energy: 1.638515325335269
Energy: 1.8638539450974299
Energy: 1.641009302826332
Energy: 1.6432874898314191
Energy: 1.764360724015774
Energy: 1.8457131467017498
Energy: 1.6365308807617784
Energy: 1.7509924134460815
Energy: 1.7510997239236141
Energy: 1.6376953635223526
Energy: 1.7515866739938517
Energy: 1.7514143520575758
Energy: 1.6380103327446944
Energy: 1.6388799751824787
Energy: 1.7508633746115028
Energy: 1.6393217910135138
Energy: 1.7916045293122884
Energy: 1.6385200329540224
Energy: 1.6300763559454696
Energy: 1.638837735548682
Energy: 1.643004125922658
Energy: 1.6411504280070535
Energy: 1.6411858505308363
Energy: 1.6421622334063766
Energy: 1.6300535682828685
Energy: 1.6384711356582216
Energy: 1.6407447582527297
Energy: 1.638103233901196
Energy: 1.6393948778895369
Energy: 1.6391573678353306
Energy: 1.7060805366129734
Energy: 1.6376018019649579
Energy: 1.6386374649437185
Energy: 1.6353075069879706
Energy: 1.6387942375787599
Energy: 1.6389150650682542
Energy: 1.709122421441051
Energy: 1.6410698521281288
Energy: 1.6379895335176853
Energy: 1.6354799554005102
Energy: 1.6384579272227549
Energy: 1.6391444358955518
Energy: 1.624501719551841
Energy: 1.638758439153017
Energy: 1.6411969646839637
Energy: 1.7071633705209246
Energy: 1.6390256445446296
Energy: 1.6311453854421532

minimum gb energy = 1.6235451363747804 eV
minimum distance =  2.29919100531429 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.014851486926080385
Energy: 0.0165303817065007
Energy: 0.19491607623512813
Energy: 0.19301704354378682
Energy: 0.17231262944066017
Energy: 0.017021511067175036
Energy: 0.015030854494055352
Energy: 0.1883227019296465
Energy: 0.21516977831894932
Energy: 0.15173765761319047
Energy: 0.1732390005279738
Energy: 0.14828517257988397
Energy: 0.9266281991366204
Energy: 0.14950645275806052
Energy: 0.016918227744486605
Energy: 0.017293692163394294
Energy: 0.16159865408387145
Energy: 0.16376008155975585
Energy: 0.14464538143653144
Energy: 0.18983696057281957
Energy: 0.2151114658547553
Energy: 0.14954270687192356
Energy: 0.17790862304319116
Energy: 0.14677989306483796

minimum gb energy = 0.014851486926080385 eV
minimum distance =  2.45819496604733 Angstroms
sigma value = 1