Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.519999980926514
cohesive_energy=4.450349977697172
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.01859836294294e-19, 2.95082483743584e-19, 3.6110978500735796e-19, 4.1326063444405797e-19, 4.56549844918104e-19, 4.93415929266444e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.1744202468101795e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.6177177473497999e-19, 2.3577631345944e-20, -1.5130555587337498e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.04684619088926e-18, -1.55988718174557e-18, -2.26624680526032e-18, -3.2694176611067397e-18, -4.7522161141074e-18, -6.32933470555164e-18, -7.214825687630759e-18, -8.707028917472999e-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: 0.022170329048000724
Energy: 1.027791119543205
Energy: 1.4286455100636806
Energy: 1.4273269146078296
Energy: 1.3027958647548996
Energy: 0.47578552413085445
Energy: 0.022739528037115923
Energy: 1.221205917335258
Energy: 1.0254149082524402
Energy: 0.4029913223803174
Energy: 0.588944540504995
Energy: 0.5942613241849674
Energy: 0.02370312194138185
Energy: 0.14136631175609166
Energy: 0.02265917493527899
Energy: 1.0280114824963769
Energy: 0.35928372757168975
Energy: 0.5887343376827051
Energy: 0.5938786268600076
Energy: 0.13886614836792555
Energy: 0.1411085955424826
Energy: 0.025765040368881612
Energy: 1.0669481234695768
Energy: 0.588981658079947
Energy: 0.5877846953127074
Energy: 1.0244545368143394
Energy: 0.13949931335977114
Energy: 0.02319077492198123
Energy: 0.14019603631785335
Energy: 1.305919929890292
Energy: 0.40277532058863946
Energy: 0.5888671242234869
Energy: 0.5878058440344553
Energy: 0.023167522295350018
Energy: 0.14141579388652223
Energy: 0.02257421378440407
Energy: 1.0285679227298214
Energy: 0.3595986431808758
Energy: 0.5903925084400112
Energy: 0.5935777367489613
Energy: 0.1386236983852203
Energy: 0.14084379569488698

minimum gb energy = 0.022170329048000724 eV
minimum distance =  2.46594228153367 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.6414596823740237
Energy: 2.4686800888191094
Energy: 1.6539302275931616
Energy: 1.6292048559215322
Energy: 1.7459799081794034
Energy: 1.59937016450441
Energy: 1.596109836976387
Energy: 1.4860856081258986
Energy: 1.6119709165694949
Energy: 1.4746116484675529
Energy: 1.7298361875962627
Energy: 1.5753564871116899
Energy: 1.5109514784137832
Energy: 1.6250203152734992
Energy: 1.6483389942265505
Energy: 1.6542956467932808
Energy: 1.6929942714497772
Energy: 1.6495627518626308
Energy: 1.7140944738053088
Energy: 1.6580172168015705
Energy: 1.678377750492501
Energy: 1.4952424868325187
Energy: 1.7223209195425337
Energy: 1.498238243257524
Energy: 1.7100356147457234
Energy: 1.6652828746809065
Energy: 1.6104612026430607
Energy: 1.7636229402325707
Energy: 1.7235651793286222
Energy: 1.5552700634265335
Energy: 1.581221206478856
Energy: 1.521961519975241
Energy: 1.5937233389910024
Energy: 1.5927072183064868
Energy: 1.7040489997075614
Energy: 1.554962202895446
Energy: 1.6202152037689617
Energy: 1.5975525220478775
Energy: 1.5542687587223452
Energy: 1.543248608238866
Energy: 1.5551246171743593
Energy: 1.6023111608328455
Energy: 1.4806927135154562
Energy: 1.7794617553492542
Energy: 1.6112647236964477
Energy: 1.7192533667417538
Energy: 1.7525840947988764
Energy: 1.6456202798938349
Energy: 1.6155923350559815
Energy: 1.5178964168722158
Energy: 1.756325069100176
Energy: 1.6113587336410813
Energy: 1.6413032195366188
Energy: 1.6599626360931596
Energy: 1.6659952552407362
Energy: 1.7996084148780875
Energy: 1.6540842225742949
Energy: 1.5905393440477567
Energy: 1.566224076429657
Energy: 1.6599213382903726
Energy: 1.7156249364480924
Energy: 1.571811652501305
Energy: 1.56877011059134
Energy: 1.6242815190098827
Energy: 1.7626293036332426
Energy: 1.6527619176846005
Energy: 1.569525158728577
Energy: 1.6000952802496464
Energy: 1.5917738727891548
Energy: 1.5556127432429916
Energy: 1.5108903892853185
Energy: 1.752568626767917
Energy: 1.590380262248008
Energy: 1.6287530052389987
Energy: 1.7422389443225252
Energy: 1.597396040407851
Energy: 1.7270138657172442
Energy: 1.7136843495694494
Energy: 1.6165392557521547
Energy: 1.72804204568116
Energy: 1.8049962395704953
Energy: 1.7321220682882934
Energy: 1.5644350004984084
Energy: 1.6287846702039361
Energy: 1.5554332788929492
Energy: 1.6926153742963406
Energy: 1.667896355213714
Energy: 1.61075427552923
Energy: 1.6385477915511515
Energy: 1.5854788082909719
Energy: 1.63255785668131
Energy: 1.5880235170892603
Energy: 1.9702602634494581
Energy: 1.6927412276588039
Energy: 1.6611298265024423
Energy: 1.6512096374603575
Energy: 1.6548357252408907
Energy: 1.753828517793666
Energy: 1.6279928441798948
Energy: 1.675896661679581
Energy: 1.6120680566884293
Energy: 1.6635270312932218
Energy: 1.6425252318682229
Energy: 1.5170569341969582
Energy: 1.5869835689800649
Energy: 1.6883007051487757
Energy: 1.5934909257348506
Energy: 1.7202881040278402
Energy: 1.6441624670507458
Energy: 1.6500353472556544
Energy: 1.5425891079222063
Energy: 1.5998269551543405
Energy: 1.5364924888426597
Energy: 1.7404025077830507
Energy: 1.5458600871647068
Energy: 1.6638348418550664
Energy: 1.615628495609815
Energy: 1.6207842420719
Energy: 1.8230299125466074
Energy: 1.6474152047678854
Energy: 1.6082273947181194
Energy: 1.589035673162708
Energy: 1.683214299679177
Energy: 1.6541963302054725
Energy: 1.6943210260380115
Energy: 1.633360111806935
Energy: 1.7148216054496552
Energy: 1.62468302098832
Energy: 1.5627004239277775
Energy: 1.5642758467624756
Energy: 1.5719079248716212
Energy: 1.574424663443815
Energy: 1.6741805255892084
Energy: 1.6897695433316935
Energy: 1.60872191977853
Energy: 1.6555436567212376
Energy: 1.6096633811347034
Energy: 1.5901230341122654
Energy: 1.6545837674873607
Energy: 1.6504417471533996
Energy: 1.4662410420499585
Energy: 1.7365931081160357
Energy: 1.5020346475092061
Energy: 1.674240605633797
Energy: 1.6236902192870892
Energy: 1.5403397496188405
Energy: 1.8232522392816168
Energy: 1.6036721018424607
Energy: 1.6362008921599651
Energy: 1.7099448422206651
Energy: 1.785987019894181
Energy: 1.7053156208543951
Energy: 1.622486272209022
Energy: 1.606109578696343
Energy: 1.512339352329806
Energy: 1.6763142605061663
Energy: 1.5285005955985054
Energy: 1.5271671763653993
Energy: 1.5805352068261418
Energy: 1.4892583175709495
Energy: 1.6542419166575804
Energy: 1.614506726483476
Energy: 2.4166613127971384
Energy: 1.687188002781772
Energy: 1.5761194949819681
Energy: 1.778104985596298
Energy: 1.5964557851723387
Energy: 1.541220590513658
Energy: 1.495281788426694
Energy: 1.5977031850530565
Energy: 1.5251903726827851
Energy: 1.7307684757531732
Energy: 1.6093058395508546
Energy: 1.546567853833281
Energy: 1.5665985529960424
Energy: 1.5149057540342692
Energy: 1.704927982441351
Energy: 1.6582506502922976
Energy: 1.6943179120454603
Energy: 1.6948887256937102
Energy: 1.6638787789364389
Energy: 1.7192306009347544
Energy: 1.4767471085060708
Energy: 1.8197086574904124
Energy: 1.6061996550000917
Energy: 1.7289700670350945
Energy: 1.6617973062575402
Energy: 1.6075807518340823
Energy: 1.7243348635253086
Energy: 1.6000686200456204
Energy: 1.5992357087902906
Energy: 1.5805463952882128
Energy: 1.52150812042121
Energy: 1.5154849667872938
Energy: 1.5918386289543625
Energy: 1.7006108401813425
Energy: 1.6236011823217948
Energy: 1.6627608500066677
Energy: 1.5807049650650844
Energy: 1.5534382751537175
Energy: 1.5148456691268557
Energy: 1.546707101977772
Energy: 1.6948837470230294
Energy: 1.517709185165339
Energy: 1.7795707219301184
Energy: 1.6056229258198274
Energy: 1.6917139046848642
Energy: 1.678004441208348
Energy: 1.5915445165752389
Energy: 1.6327227751740048
Energy: 1.5748359094238387
Energy: 1.6565525934947978
Energy: 1.632102431984262
Energy: 1.628696331527168
Energy: 1.6155937656508697
Energy: 1.6661032368094812
Energy: 1.7465151668376218
Energy: 1.5526607814633602
Energy: 1.6018753935352448
Energy: 1.568111913637816
Energy: 1.6719922481787575
Energy: 1.6212132601096962
Energy: 1.5757247132085679
Energy: 1.5597649603289068
Energy: 1.6543648574942786
Energy: 1.5970608168750244
Energy: 1.6470986290319924
Energy: 1.61329373286389
Energy: 1.6032815057524203
Energy: 1.6266230904137633
Energy: 1.5318321614235995
Energy: 1.5094751014415153
Energy: 1.6528323438207875
Energy: 1.5841495682890552
Energy: 1.569547454061801
Energy: 1.6195433778429766
Energy: 1.5073199993428226
Energy: 1.6606591027265647
Energy: 1.689356649840567
Energy: 1.6221608097679385
Energy: 1.7058025751362411
Energy: 1.7555261072382464
Energy: 1.7594246101439632
Energy: 1.6518869204439754
Energy: 1.6305987793341021
Energy: 1.5416639645735186
Energy: 1.7699572933485588
Energy: 1.5267331607219141
Energy: 1.7185026884705301
Energy: 1.689443647226055
Energy: 1.5329148661519107
Energy: 1.7097831049056795
Energy: 1.5931515230144744
Energy: 1.7232050471808358
Energy: 1.6585773069218672
Energy: 1.6600481387073651
Energy: 1.64791306705051
Energy: 1.6933630985473649
Energy: 1.7505692858192166
Energy: 1.6043306809601963
Energy: 1.667549788271532
Energy: 1.5726793485311066
Energy: 1.5623631978795187
Energy: 1.6279773318100321
Energy: 1.5213363588733357
Energy: 1.6161239766505706
Energy: 1.7419269052150264
Energy: 1.6225950705916046
Energy: 1.6781427361680439
Energy: 1.6438771189427186
Energy: 1.6494526162902958
Energy: 1.6144276011684424
Energy: 1.54848126129003
Energy: 1.5354753566684296
Energy: 1.7407852847286747
Energy: 1.547358426721985
Energy: 1.6537729588599883
Energy: 1.5912595287542852
Energy: 1.6200135700084786
Energy: 1.81340126758298
Energy: 1.6451572368285392
Energy: 1.6152534617711893
Energy: 1.6071037440262674
Energy: 1.6849918636094405
Energy: 1.6511335200111714
Energy: 1.7121725072624006
Energy: 1.6300189893810746
Energy: 1.6188265875577375
Energy: 1.6280008025968102
Energy: 1.5343548431468497
Energy: 1.665835438532524
Energy: 1.5514317245678517
Energy: 1.5955023775224186
Energy: 1.6031499170644177
Energy: 1.6867280990645905
Energy: 1.6046240116374304
Energy: 1.6564384218732593
Energy: 1.617594217570369
Energy: 1.6391570942882057
Energy: 1.6679454708618608
Energy: 1.6490566508018654
Energy: 1.5172017155390316
Energy: 1.73381000953663
Energy: 1.6232321095117228
Energy: 1.55339769795417
Energy: 1.5788816900168126
Energy: 1.5964387305893248
Energy: 1.7901010591804092
Energy: 1.5890603840543138
Energy: 1.6430491247798482
Energy: 1.5830987021447247
Energy: 1.8093622025193319
Energy: 1.7004542631141295
Energy: 1.651632102500814
Energy: 1.6459037557712315
Energy: 1.522956103326199
Energy: 1.7333804481736632
Energy: 1.518827155780001
Energy: 1.8152224320956392
Energy: 1.7111341527129027
Energy: 1.4755634193382645
Energy: 1.6947054232584267
Energy: 1.6073727320100333
Energy: 2.2178137091403354
Energy: 1.6845941871365075
Energy: 1.571036478706521
Energy: 1.556171907381898
Energy: 1.5940255956143532
Energy: 1.5649064723417745

minimum gb energy = 1.4662410420499585 eV
minimum distance =  2.17515059595633 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.5796715395208385
Energy: 2.1988623565139886
Energy: 1.6677508068609586
Energy: 1.6209300396340678
Energy: 1.928584960688364
Energy: 1.5266081735550159
Energy: 1.5794652315803308
Energy: 1.521873374085421
Energy: 1.564326543820587
Energy: 1.492940707112972
Energy: 1.599335674895998
Energy: 1.562624868377779
Energy: 1.5577585806614302
Energy: 1.6526802974377466
Energy: 1.644625900559406
Energy: 1.513912045483354
Energy: 1.6996168228465063
Energy: 1.5700814536451586
Energy: 1.6390978364210982
Energy: 1.706832532359334
Energy: 1.6566418814802255
Energy: 1.5530056813873239
Energy: 1.598436747191304
Energy: 1.5553764273076616
Energy: 1.6130778778135364
Energy: 1.5210319336677562
Energy: 1.518733293333183
Energy: 1.7567390118024981
Energy: 1.6924707754719
Energy: 1.5714216441410362
Energy: 1.5964304826479558
Energy: 1.538753637934508
Energy: 1.5033815564092046
Energy: 1.6108955636323463
Energy: 1.7106167516964128
Energy: 1.6810611060112015
Energy: 1.594458614409367
Energy: 1.5383407169880947
Energy: 1.53767696993932
Energy: 1.4612953591276627
Energy: 1.7150241650765445
Energy: 1.6290829247549037
Energy: 1.6074782785831256
Energy: 1.7394536335300845
Energy: 1.6945693762936687
Energy: 1.607255166686857
Energy: 1.613511656340651
Energy: 1.7098643383347465
Energy: 1.7296720376688748
Energy: 1.5360075913431135
Energy: 1.664882404885447
Energy: 1.572115331942184
Energy: 1.536772880301474
Energy: 1.581068964778371
Energy: 1.6038938329749144
Energy: 1.745591914950187
Energy: 1.5451051013666037
Energy: 1.5619608918893155
Energy: 1.5558912799624844
Energy: 1.6863605476386887
Energy: 1.6666192251655367
Energy: 1.5612167156391414
Energy: 1.5649211777898524
Energy: 1.539288572101231
Energy: 1.5447714219622755
Energy: 1.521912085169363
Energy: 1.6402732163086053
Energy: 1.5916147256068947
Energy: 1.4898960619174066
Energy: 1.5670048712359301
Energy: 1.520474166608492
Energy: 2.073673721769833
Energy: 1.6710854570164655
Energy: 1.741163417797875
Energy: 1.7117721077251136
Energy: 1.4638767581881826
Energy: 1.5130824324759486
Energy: 1.5576371096254333
Energy: 1.526084441860258
Energy: 1.4899143297104118
Energy: 1.9332304719081024
Energy: 1.7079232520147558
Energy: 1.4668261625374983
Energy: 1.533987189747222
Energy: 1.5517596365004236
Energy: 1.7235826553047888
Energy: 1.5830025267792978
Energy: 1.5714145454104944
Energy: 1.6404938334927963
Energy: 1.6241515417352306
Energy: 1.6856778800566128
Energy: 1.5956530531906228
Energy: 1.7411361066501014
Energy: 1.5603707891109782
Energy: 1.697367518872824
Energy: 1.5431903997347898
Energy: 1.5624249478696575
Energy: 1.7909636625701355
Energy: 1.7230003729476928
Energy: 1.589285460772452
Energy: 1.576596209178372
Energy: 1.5511376630350875
Energy: 1.5062722006072906
Energy: 1.5818809657907227
Energy: 1.7666516149969094
Energy: 1.7255797329553995
Energy: 1.590240190989742
Energy: 1.555584162567255
Energy: 1.5449114680166225
Energy: 1.5085487616651554
Energy: 1.459779468931056
Energy: 1.6981818028428177
Energy: 1.6084322936953706
Energy: 1.6793751168667372
Energy: 1.5113127606648686
Energy: 1.5985577542347864
Energy: 1.5316459982319799
Energy: 1.5207978325421054
Energy: 1.6934557724209147
Energy: 1.538597217042702
Energy: 1.6628246935805002
Energy: 1.575627361579829
Energy: 1.547278621533908
Energy: 1.5671356814134627
Energy: 1.6421096281162813
Energy: 1.7434350986828495
Energy: 1.5928449501638855
Energy: 1.5707224878084496
Energy: 1.576008936962814
Energy: 1.8934913955151533
Energy: 1.6052287155536933
Energy: 1.697599429782263
Energy: 1.5611073685055272
Energy: 1.5649167631438303
Energy: 1.5505882950445895
Energy: 1.5965783611032733
Energy: 1.8625255321737895
Energy: 1.6756959623633239
Energy: 1.5159908586004098
Energy: 1.580494468943163
Energy: 1.522617164824373
Energy: 1.5499397592004978
Energy: 1.5713939537523514
Energy: 1.5485009178010258
Energy: 1.5757561564856035
Energy: 1.4639676567822886
Energy: 1.597353180077008
Energy: 1.5270559277240285
Energy: 1.5295190464864865
Energy: 1.5765704879006595
Energy: 1.7211166335666481
Energy: 1.6618993015249273
Energy: 1.4670859786270734
Energy: 1.5054086787380565
Energy: 1.5569633136374315
Energy: 1.745058851161069
Energy: 1.5615208969701724
Energy: 1.5904414571441075
Energy: 1.6276230297793643
Energy: 1.58566078940943
Energy: 1.6974474815672858
Energy: 1.59746874644079
Energy: 1.6764802693144618
Energy: 1.6734912341024555
Energy: 1.644069300079582
Energy: 1.5295708773502588
Energy: 1.7594610802065858
Energy: 1.6810888581270578
Energy: 1.7248017835204394
Energy: 1.5797605448778949
Energy: 1.5819824631766772
Energy: 1.528496155131944
Energy: 1.491582823848972
Energy: 1.6142166076796556
Energy: 1.7931105150924114
Energy: 1.7292029001555311
Energy: 1.5908850681530136
Energy: 1.5495648249431668
Energy: 1.538190907305935
Energy: 1.4853386355104303
Energy: 1.4610016957981664
Energy: 1.754666848786651
Energy: 1.6501899172612249
Energy: 1.5490478828072496
Energy: 1.5013009224680194
Energy: 1.5106440530849994
Energy: 1.5048937220503031
Energy: 1.5196196858579107
Energy: 1.7526671627255008
Energy: 1.7444148509739614
Energy: 1.5226973105966635
Energy: 1.6841745984915528
Energy: 1.5301637368601175
Energy: 1.5731129257518632
Energy: 1.7121365221074607
Energy: 1.7473853182026098
Energy: 1.558966323131273
Energy: 1.6063499262970857
Energy: 1.5528959092906471
Energy: 1.5459403650467514
Energy: 1.5477249781871214
Energy: 1.6470765935271232
Energy: 1.6904824879882716
Energy: 1.547592486862609
Energy: 1.6169477277324125
Energy: 1.605783596926172
Energy: 1.7138406438096503
Energy: 1.693664770204314
Energy: 1.5078030059552907
Energy: 1.6068224743298452
Energy: 1.5267256862470928
Energy: 1.5294310277931629
Energy: 1.5741971878104113
Energy: 1.6414811222000336
Energy: 1.5688346379330262
Energy: 1.4625071180191715
Energy: 1.5116273281631678
Energy: 1.5226650391820544
Energy: 1.5747056262385464
Energy: 1.5668780729675518
Energy: 1.635698811177653
Energy: 1.695890005207334
Energy: 1.4633168671346795
Energy: 1.530753473325383
Energy: 1.5506064486133446
Energy: 1.5827616217822689
Energy: 1.568591770359329
Energy: 1.6310251028413112
Energy: 1.6257402628537814
Energy: 1.5873933347316995
Energy: 1.6787560350916422
Energy: 1.7316934542747326
Energy: 1.6764648105515298
Energy: 1.6428700186851843
Energy: 1.5637526940130007
Energy: 1.6296783207289796
Energy: 1.7305743847903738
Energy: 1.6527707293450802
Energy: 1.550925134668089
Energy: 1.5678975944399225
Energy: 1.5774418876244956
Energy: 1.543158306086861
Energy: 1.4986642501072174
Energy: 1.5801201902590727
Energy: 1.7411152005815493
Energy: 1.7271898600429623
Energy: 1.6751611185799393
Energy: 1.5921152368687734
Energy: 1.5417198156678227
Energy: 1.5012610370378552
Energy: 1.7992710669425673
Energy: 1.6914137065111439
Energy: 1.6029926900652436
Energy: 1.5573492513716987
Energy: 1.5109694075263642
Energy: 1.5145249017401934
Energy: 1.497845944975539
Energy: 1.5185471962792152
Energy: 1.718269353458108
Energy: 1.7207533928948766
Energy: 1.5356331718866205
Energy: 1.6233630949468993
Energy: 1.5617116118390064
Energy: 1.5808370948940762
Energy: 1.7161245785649486
Energy: 1.7262754580803912
Energy: 1.5525489124533953
Energy: 1.6865263529973602
Energy: 1.5552422872190617
Energy: 1.6053285599403566
Energy: 1.7566872684202741
Energy: 1.6601328409024014
Energy: 1.7958525775385028
Energy: 1.5274400453983141
Energy: 1.6266864024317649
Energy: 1.5739608377823207
Energy: 1.663896405547185
Energy: 1.7368365524670282
Energy: 1.5578629892332092
Energy: 1.6157109225770203
Energy: 1.561175650217571
Energy: 1.518447161555687
Energy: 1.487864942189416
Energy: 1.5924686163799493
Energy: 1.612390306040021
Energy: 1.5222424474043206
Energy: 1.532094068491501

minimum gb energy = 1.459779468931056 eV
minimum distance =  2.17251471216982 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6300707385288589
Energy: 2.4094738774292908
Energy: 1.6444133789939894
Energy: 1.5827436540651694
Energy: 1.6398678526118637
Energy: 1.6268782530080228
Energy: 1.6900493400315517
Energy: 1.51276101136962
Energy: 1.6474947442817642
Energy: 1.5217257142544187
Energy: 1.6411540304914143
Energy: 1.6414181506086254
Energy: 1.5987930896461564
Energy: 1.6821108785367331
Energy: 1.6060286192322273
Energy: 1.5993780794046994
Energy: 1.5776794296007692
Energy: 1.615138782105489
Energy: 1.6796462036970574
Energy: 1.6250803399056766
Energy: 1.640891739111756
Energy: 1.561422849452305
Energy: 1.7182393885674578
Energy: 1.5838430780538224
Energy: 1.6900514327468004
Energy: 1.638293665550595
Energy: 1.550271338694952
Energy: 1.5956792452226403
Energy: 1.5748565468551259
Energy: 1.5795274399208388
Energy: 1.5720442286625833
Energy: 1.5802810342428275
Energy: 1.6007849068216677
Energy: 1.5892717804954466
Energy: 1.5788335573744219
Energy: 1.5355520789140895
Energy: 1.5471824047353302
Energy: 1.5816523805842817
Energy: 1.5299158974987368
Energy: 1.536247670115039
Energy: 1.560313620935429
Energy: 1.5705783396970596
Energy: 1.6441934320684137
Energy: 2.403145932199444
Energy: 1.6404726407022614
Energy: 1.584509088702829
Energy: 1.6414119195850805
Energy: 1.6453828934100043
Energy: 1.581527349975838
Energy: 1.6191304854549595
Energy: 1.6751506400691851
Energy: 1.5308133600661105
Energy: 1.6367662039524304
Energy: 1.6733617781477865
Energy: 1.6251189448330563
Energy: 1.7219001255732003
Energy: 1.6677249752341792
Energy: 1.5836489929345756
Energy: 1.6961434564803164
Energy: 1.728776231154409
Energy: 1.6703236191273456
Energy: 1.5671271602120365
Energy: 1.555221529244015
Energy: 1.5729870352950135
Energy: 1.695401023047269
Energy: 1.5511216287924177
Energy: 1.6034562316064715
Energy: 1.5961594643836103
Energy: 1.5534942841952333
Energy: 1.5960504999026057
Energy: 1.5860695681118162
Energy: 1.6026983592895465
Energy: 1.6192535261266776
Energy: 1.7707884301958392
Energy: 1.5851441402992157
Energy: 1.7125995133842749
Energy: 1.5947800431763148
Energy: 1.537138305250989
Energy: 1.590427754106224
Energy: 1.5545298759806223
Energy: 1.5441725164110762
Energy: 1.5437898762859033
Energy: 1.5622933938193708
Energy: 1.55910500229428
Energy: 1.6390832941668088
Energy: 2.332117456934345
Energy: 1.6445310903911385
Energy: 1.5527213086427694
Energy: 1.5952234433160166
Energy: 1.654622200162678
Energy: 1.6051041743697045
Energy: 1.609823087308721
Energy: 1.6776625191405967
Energy: 1.6235187746062931
Energy: 1.714216043869307
Energy: 1.6632379858408528
Energy: 1.6234205199170566
Energy: 1.724189833609171
Energy: 1.6188819353779118
Energy: 1.5812257184470715
Energy: 1.6721880944849923
Energy: 1.592524193439782
Energy: 1.6245791805041783
Energy: 1.5941691863830445
Energy: 1.5976394921025305
Energy: 1.5494587413912473
Energy: 1.678806914140009
Energy: 1.561972034343561
Energy: 1.6332287020056235
Energy: 1.5753516295332715
Energy: 1.5778072599570159
Energy: 1.6560922933837454
Energy: 1.5859520125348707
Energy: 1.5548745557899013
Energy: 1.584133522855413
Energy: 1.751869087911594
Energy: 1.5706130145744743
Energy: 1.5505312310548705
Energy: 1.62673165396924
Energy: 1.5758286407156494
Energy: 1.570439418798934
Energy: 1.547885364830638
Energy: 1.5675061589371229
Energy: 1.5990273166913849
Energy: 1.560009075285204
Energy: 1.637916219754632
Energy: 1.644495135465369
Energy: 1.5742179538206447
Energy: 1.6456946927995533
Energy: 1.6381159054913685
Energy: 1.6180304258626819
Energy: 1.6553071108297541
Energy: 1.6155341222733686
Energy: 1.6261942201218533
Energy: 1.6928244440021123
Energy: 1.622512982896454
Energy: 1.6822982414972099
Energy: 1.6585362809173834
Energy: 1.612882118047395
Energy: 1.7254317512182502
Energy: 1.5470135929233062
Energy: 1.5964464181553486
Energy: 1.6819040832465726
Energy: 1.5838966551410651
Energy: 1.6001600620799201
Energy: 1.62874061047021
Energy: 1.5593974466897544
Energy: 1.558142900481276
Energy: 1.630010243241268
Energy: 1.5530712379726432
Energy: 1.6488929995606123
Energy: 1.6269966019317401
Energy: 1.5635036168260514
Energy: 1.5751750895316508
Energy: 1.5738913200995472
Energy: 1.6004871180167812
Energy: 1.5731691499400795
Energy: 1.7751156119417912
Energy: 1.5999346782579889
Energy: 1.7511391801988248
Energy: 1.5969361453446278
Energy: 1.6322141663216403
Energy: 1.586550964056732
Energy: 1.5737217437884483
Energy: 1.5871261212623642
Energy: 1.5461848693287767
Energy: 1.5486634459538602
Energy: 1.6104218520782871
Energy: 1.6448132274787128
Energy: 1.5803900024917634
Energy: 1.7015937956743383
Energy: 1.6502835171114476
Energy: 1.6415871319429054
Energy: 1.6453487184956983
Energy: 1.627337170503473
Energy: 1.629468128461749
Energy: 1.704276589948737
Energy: 1.6116564986338187
Energy: 1.7242998518658998
Energy: 1.6652185774305261
Energy: 1.6245802051595852
Energy: 1.7063146629491297
Energy: 1.5845945445521885
Energy: 1.6643682845982164
Energy: 1.6297945008654209
Energy: 1.6161908257624547
Energy: 1.6218245520666386
Energy: 1.570708754682391
Energy: 1.595485191559966
Energy: 1.5864558301681517
Energy: 1.5996510282361753
Energy: 1.5763119027267736
Energy: 1.5412905142866342
Energy: 1.5744124241546662
Energy: 1.6057550206787263
Energy: 1.5793003221396935
Energy: 1.5752429682710676
Energy: 1.641791489058059
Energy: 1.5736665825712548
Energy: 1.7657251711563708
Energy: 1.5715306136417733
Energy: 1.5763848613063474
Energy: 1.608958307945759
Energy: 1.6115732354298715
Energy: 1.688848803191936
Energy: 1.6300830641311435
Energy: 1.5506138310571564
Energy: 1.560646641681867
Energy: 1.6405140504327447
Energy: 1.6225030002511174
Energy: 1.6393716130940126
Energy: 1.602875871296986
Energy: 1.5916675213153848
Energy: 1.618244392121619
Energy: 1.6136119678916332
Energy: 1.5301965944221498
Energy: 1.6224548600320534
Energy: 1.6097169662966255
Energy: 1.7183345735470974
Energy: 1.6518358581034143
Energy: 1.671932700105978
Energy: 1.6600573309195459
Energy: 1.6251145222622805
Energy: 1.7041948443950934
Energy: 1.549523036681908
Energy: 1.623775717128059
Energy: 1.571126235577113
Energy: 1.6664737128176996
Energy: 1.672955857680261
Energy: 1.6646400224147748
Energy: 1.6549611394908479
Energy: 1.5943917457887578
Energy: 1.5786219468284672
Energy: 1.5783620788777983
Energy: 1.5792029682783233
Energy: 1.586526831328874
Energy: 1.565099547785881
Energy: 1.5578045168114385
Energy: 1.5789756521933036
Energy: 1.5262294274657566
Energy: 1.5677114508108174
Energy: 1.7220341702045348
Energy: 1.5735313591749855
Energy: 1.5450983172815118
Energy: 1.652854000216765
Energy: 1.6312347208794047
Energy: 1.625503667471926
Energy: 1.6345805426439162
Energy: 1.5307703338855005
Energy: 1.5670093425640796
Energy: 1.6170378273613901
Energy: 1.6301019365084686

minimum gb energy = 1.51276101136962 eV
minimum distance =  2.16678653852103 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.4708829783922985
Energy: 2.1344230861430784
Energy: 1.9011663818620206
Energy: 1.7441473360337625
Energy: 1.6093172187254317
Energy: 1.613645435705591
Energy: 1.466611302460931
Energy: 1.5375020396499761
Energy: 1.5809628504380668
Energy: 1.6063158703828113
Energy: 1.6062753597308657
Energy: 1.5733213142933877
Energy: 1.5334729728218577
Energy: 1.726181946831255
Energy: 1.5322120645483501
Energy: 1.4567379605431459
Energy: 1.6032260649818006
Energy: 1.6229166397265682
Energy: 1.5818150574530248
Energy: 1.5351868750656532
Energy: 1.6237747319205211
Energy: 1.5429101294476408
Energy: 1.5331642587549448
Energy: 1.618527623430484
Energy: 1.595734702348936
Energy: 1.606339416411285
Energy: 1.6106641588763488
Energy: 1.726746428452272
Energy: 1.584913771809542
Energy: 1.5741361273221115
Energy: 1.6188310401180481
Energy: 1.5038558167216811
Energy: 1.6300506019546246
Energy: 1.6192496416148654
Energy: 1.5342445600313157
Energy: 1.4646774543099137
Energy: 1.575234617932188
Energy: 1.501201144614372
Energy: 1.4543931990188401
Energy: 1.5813238847818643
Energy: 1.5415500938343931
Energy: 1.5323727291673939
Energy: 1.525910877908116
Energy: 1.5325060508174275
Energy: 1.504742821225182
Energy: 1.5909703112982039
Energy: 1.4625987741417665
Energy: 1.4695278258230542
Energy: 1.5645137518686456
Energy: 1.4627415381773252
Energy: 1.5856538461220033
Energy: 1.8208156299843197
Energy: 1.459882086654778
Energy: 1.6342155920992836
Energy: 1.6304930022999413
Energy: 1.533119826088535
Energy: 1.4625142756281524
Energy: 1.5845004609800484
Energy: 1.8295679297157552
Energy: 1.531952837690076
Energy: 1.5824313390477125
Energy: 1.6133614937082772
Energy: 1.5325609507279898
Energy: 1.5292931987186846
Energy: 1.486435527670955
Energy: 1.6085135820707828
Energy: 1.6086134311125446
Energy: 1.5755517456172101
Energy: 1.5345900487097315
Energy: 1.5325856555754909
Energy: 1.5438316597853494
Energy: 1.5682982181799021
Energy: 1.6171740230374778
Energy: 1.4782747424039122
Energy: 1.5820193295901848
Energy: 1.5705082721955952
Energy: 1.6158065761816494
Energy: 1.5817287330866872
Energy: 1.5934235072185565
Energy: 1.595067184848939
Energy: 1.5336238182239672
Energy: 1.6526098949639965
Energy: 1.605581159133033
Energy: 1.658104677844041
Energy: 1.4675548740629525
Energy: 1.5737902160976671
Energy: 1.6326278381083579
Energy: 1.6044737114305865
Energy: 1.6018351129087458
Energy: 1.6384209523351574
Energy: 1.5330321602308794
Energy: 1.5276500135250604
Energy: 1.456531181844001
Energy: 1.5355814154654719
Energy: 1.8651772699788325
Energy: 1.4622486739744196
Energy: 1.461766608118029
Energy: 1.5858718110184358
Energy: 1.461038096872192
Energy: 1.5341760622324536
Energy: 1.5013399056276064
Energy: 1.860490673575025
Energy: 1.4653447694837074
Energy: 1.4619999056455397
Energy: 1.5313319122875775
Energy: 1.4709272450617943
Energy: 2.2715987719829993
Energy: 1.5573246566687122
Energy: 1.5045757085913163
Energy: 1.6097886220003212
Energy: 1.6132791028775282
Energy: 1.465657159835264
Energy: 1.533669360567841
Energy: 1.5811100104156848
Energy: 1.6066952768174423
Energy: 1.6060434448590577
Energy: 1.573339984524717
Energy: 1.5343592740161323
Energy: 1.6776944215697238
Energy: 1.532476925247648
Energy: 1.4560711323096074
Energy: 1.6079940383456086
Energy: 1.620473699179823
Energy: 1.5813163706985727
Energy: 1.54521539395121
Energy: 1.6696561373295205
Energy: 1.5423773953368554
Energy: 1.5317495097803218
Energy: 1.617931717376693
Energy: 1.5959676259456776
Energy: 1.606199182752744
Energy: 1.6104602517715998
Energy: 1.7268371810466112
Energy: 1.585192757224332
Energy: 1.574038620550953
Energy: 1.6199006118307675
Energy: 1.5029575206417984
Energy: 1.6309530305572768
Energy: 1.6183743785774198
Energy: 1.5343482168997349
Energy: 1.4654098762340522
Energy: 1.575131308051395
Energy: 1.5011806945796127
Energy: 1.454846253676723
Energy: 1.5814040597422458
Energy: 1.4619623124636623
Energy: 1.5324822464660284
Energy: 1.52660961198284
Energy: 1.5326136151572802
Energy: 1.5045325099191653
Energy: 1.5895329591297862
Energy: 1.4625455783755168
Energy: 1.4698546615945862
Energy: 1.564309163669468
Energy: 1.4630763129394924
Energy: 1.5840044453468547
Energy: 1.8226378227653761
Energy: 1.4594185608768457
Energy: 1.6333096238040903
Energy: 1.6317559520458131
Energy: 1.5330462837217758
Energy: 1.462202366650574
Energy: 1.5831793996686128
Energy: 1.8300756980438735
Energy: 1.5316861069623344
Energy: 1.5811207467139086
Energy: 1.6132294877951285
Energy: 1.5326872992484832
Energy: 1.5291638417229307
Energy: 1.4860717426211165
Energy: 1.6085655421413692
Energy: 1.6081272929780597
Energy: 1.5749994756627503
Energy: 1.535577026002477
Energy: 1.5338355782854012
Energy: 1.5434061342071443
Energy: 1.568076512008429
Energy: 1.617142570927792
Energy: 1.4794890870668176
Energy: 1.582114503241521
Energy: 1.6026918562398984
Energy: 1.6156867874869092
Energy: 1.5813888486704561
Energy: 1.5935238113336425
Energy: 1.5953076908329404
Energy: 1.5341573976626732
Energy: 1.6534575722237572
Energy: 1.6052436293655157
Energy: 1.5692520604034306
Energy: 1.4679959828370597
Energy: 1.5737176940528197
Energy: 1.6330155847117689
Energy: 1.6095329059411105
Energy: 1.6016946052219878
Energy: 1.6379047609458026
Energy: 1.5330435194264576
Energy: 1.5254827922039278
Energy: 1.4571432909537188
Energy: 1.503744580739197
Energy: 1.861977456150319
Energy: 1.462024616596057
Energy: 1.4618077888644563
Energy: 1.565153371571879
Energy: 1.4611432242789306
Energy: 1.5342109936084463
Energy: 1.5008719639854011
Energy: 1.7195570446571828
Energy: 1.4653953549579746
Energy: 1.4619483636540413
Energy: 1.531312976335892

minimum gb energy = 1.4543931990188401 eV
minimum distance =  2.18601742350218 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.7444150184454303
Energy: 2.4320781142471253
Energy: 1.855444403184267
Energy: 1.9125244611327024
Energy: 1.5838903364901948
Energy: 1.6663463505169567
Energy: 1.7442489589789347
Energy: 1.5042349143182447
Energy: 1.5708454774901104
Energy: 1.6796649569833857
Energy: 1.683031447545608
Energy: 1.7727016317987943
Energy: 1.6309623557222104
Energy: 1.7681252128401612
Energy: 1.5836441418993976
Energy: 1.655726711425329
Energy: 1.535839725296525
Energy: 1.504347104389042
Energy: 1.7792273494900233
Energy: 1.6357008322363842
Energy: 1.6549451975951928
Energy: 1.7766023350207754
Energy: 1.704287430735583
Energy: 1.5592046589532813
Energy: 1.6196099613001584
Energy: 1.588537211816525
Energy: 1.5040225462099945
Energy: 1.631143504489589
Energy: 1.4776427986917806
Energy: 1.5665393996036086
Energy: 1.5275701316346928
Energy: 1.5733363715101287
Energy: 1.4022058628346858
Energy: 1.4977371719789374
Energy: 1.4537726364147598
Energy: 1.4515505371261952
Energy: 1.5671844295718682
Energy: 1.6355863269454818
Energy: 1.5446823807575079
Energy: 1.412572718237191
Energy: 1.4771985634564258
Energy: 1.4460504447278202
Energy: 1.6425216704918952
Energy: 1.4921668212607384
Energy: 1.492057770950689
Energy: 1.5826000017373139
Energy: 1.4517101184991865
Energy: 1.4513008178180145
Energy: 1.4455227011341716
Energy: 1.5830822742240067
Energy: 1.4438925236995
Energy: 1.5364531372526498
Energy: 1.655948748039163
Energy: 1.477337771124743
Energy: 1.4774816238624249
Energy: 1.4786071723362402
Energy: 1.5026526862556324
Energy: 1.6075049857902841
Energy: 1.704862675654256
Energy: 1.5302718523243886
Energy: 1.7029825596165356
Energy: 1.8041682479103855
Energy: 1.5878732646165434
Energy: 1.780290612506997
Energy: 1.7884392841904784
Energy: 1.6551520747357422
Energy: 1.6709751348326147
Energy: 1.485161360554972
Energy: 1.6713204742637633
Energy: 1.77610682957133
Energy: 1.4923296475955004
Energy: 1.6483317697262343
Energy: 1.5261417092776888
Energy: 1.6419986014198893
Energy: 1.7376007723007443
Energy: 1.600602288485852
Energy: 1.7683313499586282
Energy: 1.5038689380098111
Energy: 1.5888223179510628
Energy: 1.6690013796422152
Energy: 1.7271097970496543
Energy: 1.7425565848421904
Energy: 1.746079782848305
Energy: 1.6770713766430638
Energy: 1.7415235780773095
Energy: 1.6472357878090467
Energy: 1.8547602251591224
Energy: 1.6696403028201634
Energy: 1.6280556970908566
Energy: 1.6055116866596417
Energy: 1.7424104375957523
Energy: 1.7408174849301212
Energy: 1.5996942475287752
Energy: 1.5242191739706044
Energy: 1.5459936849401763
Energy: 1.667266107496562
Energy: 1.5243290912138407
Energy: 1.7163958081179327
Energy: 1.5038229737804187
Energy: 1.636805066958784
Energy: 1.6535567415303354
Energy: 1.8108097067206368
Energy: 1.803006033633966
Energy: 1.7770969723248353
Energy: 1.7235566634123567
Energy: 1.7776166357657281
Energy: 1.6977974824124777
Energy: 1.5586018420283536
Energy: 1.8155749254261038
Energy: 1.6067818621960552
Energy: 1.5496347608027572
Energy: 1.6745578764067206
Energy: 1.4859299965937656
Energy: 1.614621705957359
Energy: 1.641025313916567
Energy: 1.5532335667859043
Energy: 1.437398847956921
Energy: 1.6224079171799333
Energy: 1.4801825443466166
Energy: 1.4519260139922285
Energy: 1.564881578377614
Energy: 1.597628914659814
Energy: 1.4737309665899845
Energy: 1.4119628151526358
Energy: 1.4866325317000297
Energy: 1.4954113299913459
Energy: 1.451769602175895
Energy: 1.411431801591501
Energy: 1.612549273747722
Energy: 1.6004900241483693
Energy: 1.4519123944132526
Energy: 1.4537479277519014
Energy: 1.446199594653509
Energy: 1.4851191201442289
Energy: 1.4428979698413245
Energy: 1.5495108376714388
Energy: 1.599121489593693
Energy: 1.5668141264785085
Energy: 1.47656020388696
Energy: 1.613970277409834
Energy: 1.5034485955207906
Energy: 1.6079063635571202
Energy: 1.7067340518022425
Energy: 1.761540240325534
Energy: 1.6504083027950092
Energy: 1.64035968040354
Energy: 1.5812773145625756
Energy: 1.6170319200702488
Energy: 1.655802473425666
Energy: 1.6548853079602623
Energy: 1.536478970715567
Energy: 1.6893197368083748
Energy: 1.6652467774333475
Energy: 1.501402260132472
Energy: 1.7760760303990277
Energy: 1.703796782455964
Energy: 1.521044689691423
Energy: 1.8856990332446857
Energy: 1.5557716889390103
Energy: 1.7057614135763406
Energy: 1.7109719503304868
Energy: 1.5839408658647995
Energy: 1.7885705541983017
Energy: 1.5797175760492372
Energy: 2.000651742478243
Energy: 1.7430092431130475
Energy: 1.7432537790331384
Energy: 1.7236933446176315
Energy: 1.7407958479766326
Energy: 1.5939457988420995
Energy: 1.682763351568241
Energy: 1.6401667055855162
Energy: 1.5556148644737242
Energy: 1.7058786040925653
Energy: 1.7209287369321056

minimum gb energy = 1.4022058628346858 eV
minimum distance =  2.17198393501874 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.690528549874709
Energy: 2.55829544050922
Energy: 1.8230018395478287
Energy: 1.7515681478161678
Energy: 1.7762305266297398
Energy: 1.7855712209850922
Energy: 1.912609310904979
Energy: 1.766069410420708
Energy: 1.7467976094180173
Energy: 1.8090214173240775
Energy: 1.8803949741624542
Energy: 1.8917543046371748
Energy: 1.8126448244542555
Energy: 1.8761204710629773
Energy: 1.7723652854146208
Energy: 1.7310476446154057
Energy: 1.630829473366402
Energy: 1.8261835255811205
Energy: 1.824406802471175
Energy: 1.727349004899841
Energy: 1.7712998309629306
Energy: 1.714044061456306
Energy: 1.7579797280998692
Energy: 1.6947073446001037
Energy: 1.7430399737424591
Energy: 1.7284675133722516
Energy: 1.698787517995733
Energy: 1.7395113707907721
Energy: 1.7027223203547166
Energy: 1.7839426267746004
Energy: 1.7374410505025921
Energy: 1.7318047867304693
Energy: 1.6902273039321158
Energy: 1.7387256503996313
Energy: 1.7395676150142503
Energy: 1.5303925427649945
Energy: 1.6137020163751195
Energy: 1.6967252160486765
Energy: 1.7146684303060578
Energy: 1.6457518260716102
Energy: 1.6282042744558398
Energy: 1.6571545131098122
Energy: 1.758769335200468
Energy: 1.6387408737164255
Energy: 1.5780392188522459
Energy: 1.6736060949767284
Energy: 1.6955803925594546
Energy: 1.6535336067183035
Energy: 1.6315328498167063
Energy: 1.5763750395599243
Energy: 1.4697853989357004
Energy: 1.6259752720976677
Energy: 1.6617686641071374
Energy: 1.7270531207061568
Energy: 1.694088460320628
Energy: 1.5577470190342353
Energy: 1.5177107039456394
Energy: 1.5387544507360311
Energy: 1.726562922179254
Energy: 1.5852922079176555
Energy: 1.6761068692478747
Energy: 1.6409159576662216
Energy: 1.588769667255453
Energy: 1.6858464782213087
Energy: 1.744603143077918
Energy: 1.6944039276384304
Energy: 1.4953138925054965
Energy: 1.4845517153867607
Energy: 1.5126748659152494
Energy: 1.6499007355911126
Energy: 1.6831741032034548
Energy: 1.5866262257253332
Energy: 1.751121882801138
Energy: 1.5157850398160249
Energy: 1.5672877812399253
Energy: 1.667326242573198
Energy: 1.5667666132614784
Energy: 1.6749747524929648
Energy: 1.4308241223962488
Energy: 1.7498758670911592
Energy: 1.699194095000075
Energy: 1.7282101132298286
Energy: 1.6849413512247833
Energy: 1.5055840443972242
Energy: 1.6379157679247636
Energy: 1.4528496780370979
Energy: 1.6242733446014022
Energy: 1.623493528949721
Energy: 1.7042683637931555
Energy: 1.6983561729574346
Energy: 1.5356602732104654
Energy: 1.7485220054188193
Energy: 1.6569250388912842
Energy: 1.6068897288752881
Energy: 1.6581470223584371
Energy: 1.67372284151144
Energy: 1.6133311571398035
Energy: 1.620983395616203
Energy: 1.5551615508445062
Energy: 1.6727857343157175
Energy: 1.7124352284377917
Energy: 1.5587266739655425
Energy: 1.629411043680832
Energy: 1.5725756889647384
Energy: 1.653752651815586
Energy: 1.700604825756843
Energy: 1.6397891233153237
Energy: 1.794742788282305
Energy: 1.7218697671700571
Energy: 1.6597490245696858
Energy: 1.7065031997491773
Energy: 1.6778975154727047
Energy: 1.7011158032354357
Energy: 1.6913549048123893
Energy: 1.6278033867566934
Energy: 1.7684805318219048
Energy: 1.6876180890145922
Energy: 1.7115208719494006
Energy: 1.6646016107163049
Energy: 1.6059934201135788
Energy: 1.6659798294984907
Energy: 1.6922729495978346
Energy: 1.72773388135686
Energy: 1.7301520401054638
Energy: 1.7194616036357975
Energy: 1.7231811351183082
Energy: 1.765114517956408
Energy: 1.7393048402372193
Energy: 1.8147610898251387
Energy: 1.830071820122774
Energy: 1.9119109203086069
Energy: 1.8329845918771022
Energy: 1.7877124812587586
Energy: 1.7172197287986743
Energy: 1.8455593120817628
Energy: 1.720972428194109
Energy: 1.855436543599006
Energy: 1.7197007837876694
Energy: 1.7590794092654067
Energy: 1.8408619009212153
Energy: 1.7773945677136482
Energy: 1.8370015666455053
Energy: 1.543664197481522
Energy: 1.7649992685064098
Energy: 1.7345595938713165
Energy: 1.6978653049708583
Energy: 1.8741784765871408
Energy: 1.7721590302111414
Energy: 1.7423195530779176
Energy: 1.630580499612883
Energy: 1.8165594811132175
Energy: 1.7333550214141802
Energy: 1.7046276409229508
Energy: 1.8755425538689743
Energy: 1.690960907803
Energy: 2.541555935706925
Energy: 1.8237412218861322
Energy: 1.7514667512045563
Energy: 1.7774834419207093
Energy: 1.7999632223272015
Energy: 1.9153734816364962
Energy: 1.847479372329976
Energy: 1.7444376835060746
Energy: 1.8158694827355801
Energy: 1.7854542215768041
Energy: 1.8894439593669106
Energy: 1.8107008960631408
Energy: 1.893272640442702
Energy: 1.611183920932754
Energy: 1.8010218808944727
Energy: 1.7175950252503855
Energy: 1.8249686263450566
Energy: 1.7241933405504173
Energy: 1.726226443693015
Energy: 1.7796445865019914
Energy: 1.7147601453676582
Energy: 1.6748336720752457
Energy: 1.6950083706097034
Energy: 1.7147553711215924
Energy: 1.7949769197137846
Energy: 1.6882826346011857
Energy: 1.7749496610652908
Energy: 1.7296842201463114
Energy: 1.784891288327346
Energy: 1.7425627763530591
Energy: 1.7290252158289119
Energy: 1.6842033614430127
Energy: 1.7370423894871587
Energy: 1.741722163182147
Energy: 1.53781990520264
Energy: 1.7349549017540253
Energy: 1.7238524151249406
Energy: 1.7139677862504725
Energy: 1.6475021441613833
Energy: 1.6222677464458999
Energy: 1.7119041591688742
Energy: 1.7601994037984852
Energy: 1.6366432312765602
Energy: 1.5698847209213347
Energy: 1.7515539592250922
Energy: 1.6958246660550937
Energy: 1.6231895064418451
Energy: 1.6303838944009947
Energy: 1.7482253876662182
Energy: 1.46776360426611
Energy: 1.6244460202969282
Energy: 1.7153594117671915
Energy: 1.6792102727465816
Energy: 1.6125694101268089
Energy: 1.5611288322322212
Energy: 1.5175908535889788
Energy: 1.5395544070450278
Energy: 1.7261794406743158
Energy: 1.5598667562127835
Energy: 1.652121091347807
Energy: 1.735459646091124
Energy: 1.7605231258513825
Energy: 1.7509101926852875
Energy: 1.7461959891228678
Energy: 1.6842157824210728
Energy: 1.4937594501298588
Energy: 1.4852677390074398
Energy: 1.6765945336022643
Energy: 1.653501785981864
Energy: 1.6827325392340218
Energy: 1.5983217815097766
Energy: 1.6590438824800846
Energy: 1.5153855209454434
Energy: 1.5670886776755102
Energy: 1.7248787719992735
Energy: 1.5641408443877214
Energy: 1.6740852541965576
Energy: 1.5480474117476253
Energy: 1.7353584291992166
Energy: 1.7008050808425335
Energy: 1.6653673948134444
Energy: 1.6966245738309607
Energy: 1.6335800434761447
Energy: 1.6296182002201085
Energy: 1.4519072200116998
Energy: 1.6228778054445665
Energy: 1.7271177504935302
Energy: 1.6917660613620815
Energy: 1.6224691506846116
Energy: 1.4425546001839484
Energy: 1.7492759762298218
Energy: 1.6572611543933262
Energy: 1.6983431783319691
Energy: 1.6385611070915096
Energy: 1.64850396323612
Energy: 1.569791521127194
Energy: 1.6219440493127508
Energy: 1.5544052429884212
Energy: 1.7480077330125128
Energy: 1.7107394148436332
Energy: 1.5599818519655928
Energy: 1.6281505460238437
Energy: 1.5713534938616875
Energy: 1.6513235762235015
Energy: 1.7019824442647042
Energy: 1.6526660924204115
Energy: 1.7960625199290592
Energy: 1.6457389949269117
Energy: 1.7146395075987557
Energy: 1.7085485491791286
Energy: 1.6756559282769694
Energy: 1.7012067925374668
Energy: 1.5508867324792583
Energy: 1.6263528009983528
Energy: 1.7088391254390538
Energy: 1.712547380605111
Energy: 1.6231379017297505
Energy: 1.6348448692007782
Energy: 1.6080671317636648
Energy: 1.6546800436793927
Energy: 1.6326906324124413
Energy: 1.7290846575176497
Energy: 1.8211665279065135
Energy: 1.72799491581484
Energy: 1.7838954624988652
Energy: 1.7696617633852552
Energy: 1.811133278607687
Energy: 1.7978348221561542
Energy: 1.8547463801138986
Energy: 1.7533181344317232
Energy: 1.8466927091693217
Energy: 1.7886053468209415
Energy: 1.7156598219027885
Energy: 1.8631437331612501
Energy: 1.7229555829724792
Energy: 1.8533696862845506
Energy: 1.7225620310253424
Energy: 1.7871156911039099
Energy: 1.918125532501711
Energy: 1.7672257792972794
Energy: 1.8429746774206495
Energy: 1.5445729945491051
Energy: 1.8964141519401994
Energy: 1.7342649540894792
Energy: 1.7041695855759276
Energy: 1.8742354608890728
Energy: 1.7699341331324996
Energy: 1.818860483566133
Energy: 1.6381497312519564
Energy: 1.8536043151545918
Energy: 1.7352309552935696
Energy: 1.69776106855596
Energy: 1.8678581299884953
Energy: 1.6919452868683666
Energy: 2.4205322967158494
Energy: 1.822287295864352
Energy: 1.7521545860658523
Energy: 1.7790956480988624
Energy: 1.7589258385490378
Energy: 1.8240238558366733

minimum gb energy = 1.4308241223962488 eV
minimum distance =  2.06660421568588 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.5776740708982295
Energy: 2.9644977674240116
Energy: 1.4917674760362893
Energy: 1.4856027979045303
Energy: 1.4862006902001115
Energy: 1.4893903261652772
Energy: 1.4874668737502896
Energy: 1.438937867142217
Energy: 1.8083141288929923
Energy: 1.439764236728859
Energy: 1.443533980826239
Energy: 1.441746899979269
Energy: 1.4405051004959897
Energy: 1.7849716204247899
Energy: 1.4390361289708273
Energy: 1.827201081272194
Energy: 1.4396908224793208
Energy: 1.4591997533854628
Energy: 1.4536208010942702
Energy: 1.4436160564124882
Energy: 1.5072947511611592
Energy: 1.4399410930026841
Energy: 2.1065920661027975
Energy: 1.4406304953791966
Energy: 1.4876372016201724
Energy: 1.4752321555568
Energy: 1.4406067890528684
Energy: 1.4905638719956265
Energy: 1.485721071369796
Energy: 1.7971133576602547
Energy: 1.4590158408188092
Energy: 2.667771183454259
Energy: 1.4419727241656213
Energy: 1.4584636895959522
Energy: 1.79149570621656
Energy: 1.4388767270912526
Energy: 2.1729691906137876
Energy: 1.4884701888479615
Energy: 1.4862210307157666
Energy: 1.486665932594557
Energy: 1.4907217663968648
Energy: 1.488149193743
Energy: 1.439623906148645
Energy: 1.8201936504037786
Energy: 1.4416268707326512
Energy: 1.4439211943325683
Energy: 1.442725193294178
Energy: 1.442437222959082
Energy: 1.790107871186287
Energy: 1.4393791884203349
Energy: 1.8250345546064726
Energy: 1.4413461672379388
Energy: 1.4532883675464323
Energy: 1.447692480184877
Energy: 1.4425258039679403
Energy: 2.4051346145697194
Energy: 1.4403741868458486
Energy: 2.5325795694567392
Energy: 1.4410152190176244
Energy: 1.4872178054810827
Energy: 1.4877192820890546
Energy: 1.4423647620738915
Energy: 1.4892460060419803
Energy: 1.485297833883466
Energy: 1.7810832428099561
Energy: 1.4590570964097387
Energy: 1.7840628754794392
Energy: 2.213455621010748
Energy: 1.4605867229195124
Energy: 1.7794082893011842
Energy: 1.440171098545325
Energy: 2.497341919693069
Energy: 1.4402466302545849
Energy: 1.487782440290239
Energy: 1.488536509287359
Energy: 1.4418009395011628
Energy: 1.4897551515568177
Energy: 1.4390851224424193
Energy: 1.8251152066598129
Energy: 1.4411176352315858
Energy: 1.454878444576855
Energy: 1.4502999116094144
Energy: 1.4424302658826516
Energy: 2.6486498356258172
Energy: 1.4400098576070863
Energy: 1.812794152700212
Energy: 1.4414455674169968
Energy: 1.4433828135089295
Energy: 1.4430896516882683
Energy: 1.441090909554305
Energy: 1.7922999551029062
Energy: 1.4392579811947483
Energy: 2.2808113384551922
Energy: 1.4921771006333697
Energy: 1.485863185421594
Energy: 1.4862186889728493
Energy: 1.489891670891645
Energy: 1.4877385842762314
Energy: 1.4862717836651793
Energy: 1.800485313877707
Energy: 1.4583361012844498
Energy: 1.450828345590896
Energy: 1.4417053573550287
Energy: 1.4389517851650377
Energy: 1.7809618864399213
Energy: 1.4394016045400095
Energy: 2.4992925222906752
Energy: 1.4405536479110443
Energy: 1.4745255210926735
Energy: 1.4595102220834588
Energy: 1.440839984344122
Energy: 1.4866990075483617
Energy: 1.4398666226482104
Energy: 2.179031546633128
Energy: 1.4406061003736537
Energy: 1.4641901697243183
Energy: 1.456889626598188
Energy: 1.4416185846606788
Energy: 1.486791217606053
Energy: 1.4867383411937134
Energy: 1.803066704684113
Energy: 1.4391338256759458
Energy: 1.442377971899995
Energy: 1.4422015672122164
Energy: 1.4395333683102076
Energy: 1.782930927051824
Energy: 1.4397988576291354
Energy: 2.8856727391012633
Energy: 1.4917953509622601
Energy: 1.4856825358182355
Energy: 1.4861877544304045
Energy: 1.4895437978165411
Energy: 1.4875555042816924
Energy: 1.440181017896833
Energy: 1.8129562608065242
Energy: 1.439701218654356
Energy: 1.4433446887910306
Energy: 1.4417976662223992
Energy: 1.441106964579506
Energy: 1.7900154773044747

minimum gb energy = 1.4388767270912526 eV
minimum distance =  2.15827750537795 Angstroms
sigma value = 23